Atom_type,Atom_isotope_number,Mol_common_name,Atom_group,Concentration_val,Concentration_units,Solvent,Rank,Chem_shift_units,Chem_shift_val,Ref_method,Ref_type,Indirect_shift_ratio,External_ref_loc,External_ref_sample_geometry,External_ref_axis,Indirect_shift_ratio_cit_ID,Indirect_shift_ratio_cit_label,Ref_correction_type,Correction_val,Correction_val_cit_ID,Correction_val_cit_label,Sf_ID,Entry_ID,Chem_shift_reference_ID
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,12,1000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,32,10001,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,32,10001,1
H,1,water,protons,,,,,ppm,4.9,internal,indirect,,,,,,,,,,,45,10002,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,70,10004,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,70,10004,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,70,10004,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,99,10005,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,99,10005,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,99,10005,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,118,10006,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,118,10006,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,118,10006,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,137,10008,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,137,10008,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,137,10008,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,156,10009,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,156,10009,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,156,10009,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,169,1001,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,191,10010,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,191,10010,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,191,10010,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210,10011,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210,10011,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210,10011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,229,10012,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,indirect,1.000000000,,,,,,,,,,229,10012,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,229,10012,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250,10013,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250,10013,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250,10013,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,270,10014,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,294,10015,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,294,10015,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,294,10015,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,317,10016,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,317,10016,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,317,10016,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,343,10017,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,343,10017,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,343,10017,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,366,10018,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,392,10019,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,392,10019,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,392,10019,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,405,1002,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,427,10021,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,427,10021,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,448,10022,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,448,10022,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,468,10023,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,468,10023,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,468,10023,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,,,,,,,,,,,488,10024,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,488,10024,1
N,15,Urea,nitrogen,,,,,ppm,77,external,indirect,,,,,,,,,,,488,10024,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,506,10025,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,506,10025,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,506,10025,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,525,10026,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,525,10026,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,525,10026,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,554,10027,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,554,10027,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,554,10027,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,572,10028,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,572,10028,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,572,10028,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,591,10029,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,591,10029,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,591,10029,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,604,1003,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,623,10030,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,623,10030,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,623,10030,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,642,10031,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,642,10031,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,140413,2639,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,642,10031,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,661,10032,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,661,10032,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,661,10032,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,680,10033,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,680,10033,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,680,10033,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,699,10034,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,699,10034,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,699,10034,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,718,10035,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,718,10035,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,718,10035,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,737,10036,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,737,10036,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,737,10036,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,756,10037,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,756,10037,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,756,10037,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,777,10038,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,777,10038,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,777,10038,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,796,10039,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,796,10039,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,796,10039,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,809,1004,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,828,10040,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,828,10040,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,828,10040,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,847,10041,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,847,10041,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,847,10041,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,866,10042,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,866,10042,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,866,10042,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,885,10043,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,885,10043,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,885,10043,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,904,10044,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,904,10044,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,904,10044,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,923,10045,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,923,10045,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,923,10045,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,942,10046,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,942,10046,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,942,10046,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,961,10047,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,961,10047,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,961,10047,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,980,10048,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,980,10048,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,980,10048,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,999,10049,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,999,10049,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,999,10049,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,1012,1005,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1031,10050,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1031,10050,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1031,10050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,1050,10051,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,indirect,1.0,,,,,,,,,,1050,10051,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,1050,10051,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,1074,10052,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,1074,10052,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,1074,10052,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1101,10053,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,1101,10053,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1101,10053,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1120,10054,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1120,10054,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1120,10054,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1139,10055,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1139,10055,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1139,10055,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1158,10056,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1158,10056,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1158,10056,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1179,10057,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1179,10057,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1179,10057,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1198,10058,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1198,10058,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1198,10058,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1217,10059,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1217,10059,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1217,10059,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,1230,1006,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1249,10060,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1249,10060,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1249,10060,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1268,10061,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1268,10061,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1268,10061,1
H,1,DSS,methyl protons,,,,,ppm,0.05,external,indirect,1.0,,,,,,,,,,1286,10062,1
N,15,DSS,methyl protons,,,,,ppm,0.5,external,indirect,0.101329118,,,,,,,,,,1286,10062,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1305,10063,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1305,10063,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1305,10063,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1325,10064,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1325,10064,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1325,10064,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1344,10065,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1344,10065,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1344,10065,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1363,10066,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1363,10066,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1363,10066,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1382,10067,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1382,10067,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1382,10067,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1401,10068,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1401,10068,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1401,10068,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1420,10069,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1420,10069,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1420,10069,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,1433,1007,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1452,10070,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1452,10070,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1452,10070,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1471,10071,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1471,10071,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1471,10071,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1490,10072,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1490,10072,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1490,10072,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1510,10073,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1510,10073,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1510,10073,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1529,10074,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1529,10074,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1529,10074,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1549,10075,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1549,10075,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1549,10075,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1568,10076,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1568,10076,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1568,10076,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1588,10077,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1588,10077,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1588,10077,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1612,10078,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,1612,10078,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1612,10078,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1631,10079,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1631,10079,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1631,10079,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,1644,1008,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1663,10080,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1663,10080,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1663,10080,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1682,10081,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1682,10081,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1682,10081,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1701,10082,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1701,10082,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1701,10082,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1720,10083,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1720,10083,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1720,10083,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1740,10084,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1740,10084,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1740,10084,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1759,10085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1759,10085,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1759,10085,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1778,10086,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1778,10086,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1778,10086,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1797,10087,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1797,10087,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1797,10087,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1816,10088,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1816,10088,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1816,10088,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1835,10089,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1835,10089,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1835,10089,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,1848,1009,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1867,10090,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1867,10090,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1867,10090,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1886,10091,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1886,10091,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1886,10091,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1906,10092,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1906,10092,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1906,10092,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1926,10093,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1926,10093,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1926,10093,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1946,10094,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1946,10094,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1946,10094,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1965,10095,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,1965,10095,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1965,10095,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,1987,10096,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,1987,10096,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,1987,10096,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2007,10097,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2007,10097,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2007,10097,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2028,10098,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2028,10098,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2028,10098,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2048,10099,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2048,10099,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2048,10099,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,2061,1010,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2081,10100,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2081,10100,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2081,10100,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2100,10101,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2100,10101,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2100,10101,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2122,10102,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2122,10102,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2122,10102,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2141,10103,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2141,10103,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2141,10103,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2159,10104,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2159,10104,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2159,10104,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2178,10105,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2178,10105,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2178,10105,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2197,10106,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2197,10106,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2197,10106,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2216,10107,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2216,10107,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2216,10107,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2236,10108,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2236,10108,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2236,10108,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2254,10109,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2254,10109,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2254,10109,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,2267,1011,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2287,10110,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2287,10110,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2287,10110,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2305,10111,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2305,10111,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2305,10111,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2323,10112,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2323,10112,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2323,10112,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2342,10113,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2342,10113,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2342,10113,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2361,10114,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2361,10114,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2361,10114,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2380,10115,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2380,10115,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2380,10115,1
H,1,DSS,methyl protons,,,,,ppm,0.015,external,direct,1.0,,,,,,,,,,2398,10116,1
H,1,DSS,methyl protons,,,,,ppm,0.015,external,direct,1.0,,,,,,,,,,2416,10117,1
C,13,Dioxine,methylene carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,2444,10118,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,2444,10118,1
N,15,TMS,nitrogen,,,,,ppm,0,external,indirect,0.10136767,,,,,,,,,,2444,10118,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2462,10119,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2462,10119,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2462,10119,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,2475,1012,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2494,10120,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2494,10120,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2494,10120,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2513,10121,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2513,10121,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2513,10121,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2532,10122,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2532,10122,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2532,10122,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2551,10123,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2551,10123,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2551,10123,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2570,10124,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2570,10124,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2570,10124,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2587,10125,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2587,10125,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2587,10125,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2604,10126,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2604,10126,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2604,10126,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2621,10127,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2621,10127,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2621,10127,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2639,10128,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2639,10128,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2639,10128,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2657,10129,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2657,10129,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2657,10129,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,2670,1013,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2688,10130,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2688,10130,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2688,10130,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2706,10131,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2706,10131,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2706,10131,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,2721,10132,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,2721,10132,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,2736,10133,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,2736,10133,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,2751,10134,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,2751,10134,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,2766,10135,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,2766,10135,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2784,10136,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2784,10136,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2784,10136,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,2797,10137,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,2797,10137,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,2797,10137,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2818,10138,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2818,10138,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2818,10138,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2843,10139,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2843,10139,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2843,10139,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,2856,1014,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2878,10140,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2878,10140,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2878,10140,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2896,10141,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2896,10141,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2896,10141,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2914,10142,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2914,10142,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2914,10142,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2932,10143,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2932,10143,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2932,10143,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2952,10144,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2952,10144,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2952,10144,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2972,10145,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2972,10145,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2972,10145,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,2990,10146,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,2990,10146,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,2990,10146,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3008,10147,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3008,10147,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3008,10147,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3028,10148,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3028,10148,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3028,10148,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3046,10149,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3046,10149,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3046,10149,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,3059,1015,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3077,10150,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3077,10150,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3077,10150,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3097,10151,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3097,10151,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3097,10151,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3117,10152,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3117,10152,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3117,10152,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3137,10153,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3137,10153,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3137,10153,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3157,10154,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3157,10154,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3157,10154,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3177,10155,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3177,10155,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3177,10155,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3197,10156,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3197,10156,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3197,10156,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3217,10157,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3217,10157,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3217,10157,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3237,10158,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3237,10158,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3237,10158,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3255,10159,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3255,10159,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3255,10159,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,3268,1016,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3286,10160,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3286,10160,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3286,10160,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3304,10161,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3304,10161,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3304,10161,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3322,10162,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3322,10162,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3322,10162,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3340,10163,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3340,10163,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3340,10163,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3358,10164,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3358,10164,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3358,10164,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3376,10165,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3376,10165,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3376,10165,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3396,10166,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3396,10166,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3396,10166,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3416,10167,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3416,10167,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3416,10167,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3436,10168,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3436,10168,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3436,10168,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3456,10169,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3456,10169,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3456,10169,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,3469,1017,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3489,10170,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3489,10170,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3489,10170,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3509,10171,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3509,10171,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3509,10171,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3529,10172,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3529,10172,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3529,10172,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3549,10173,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3549,10173,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3549,10173,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3569,10174,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3569,10174,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3569,10174,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3589,10175,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3589,10175,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3589,10175,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3609,10176,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3609,10176,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3609,10176,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3629,10177,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3629,10177,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3629,10177,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3649,10178,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3649,10178,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3649,10178,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3669,10179,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3669,10179,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3669,10179,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,3682,1018,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3702,10180,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3702,10180,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3702,10180,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3722,10181,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3722,10181,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3722,10181,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3742,10182,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3742,10182,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3742,10182,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3762,10183,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3762,10183,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3762,10183,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3782,10184,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3782,10184,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3782,10184,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3802,10185,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3802,10185,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3802,10185,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3822,10186,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3822,10186,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3822,10186,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3842,10187,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3842,10187,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3842,10187,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3862,10188,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3862,10188,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3862,10188,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3882,10189,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3882,10189,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3882,10189,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,3895,1019,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3915,10190,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3915,10190,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3915,10190,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3935,10191,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3935,10191,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3935,10191,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3955,10192,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3955,10192,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3955,10192,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3973,10193,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3973,10193,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3973,10193,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,3991,10194,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,3991,10194,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,3991,10194,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4009,10195,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4009,10195,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4009,10195,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4029,10196,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4029,10196,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4029,10196,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4049,10197,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4049,10197,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4049,10197,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4069,10198,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4069,10198,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4069,10198,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4089,10199,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4089,10199,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4089,10199,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,4102,102,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,4115,1020,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4135,10200,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4135,10200,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4135,10200,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4155,10201,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4155,10201,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4155,10201,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4175,10202,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4175,10202,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4175,10202,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4195,10203,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4195,10203,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4195,10203,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4215,10204,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4215,10204,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4215,10204,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4235,10205,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4235,10205,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4235,10205,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4255,10206,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4255,10206,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4255,10206,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4275,10207,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4275,10207,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4275,10207,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4295,10208,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4295,10208,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4295,10208,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4315,10209,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4315,10209,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4315,10209,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,4328,1021,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4348,10210,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4348,10210,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4348,10210,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4366,10211,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4366,10211,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4366,10211,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4384,10212,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4384,10212,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4384,10212,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4403,10213,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4403,10213,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4403,10213,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4422,10214,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4422,10214,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4422,10214,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4440,10215,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4440,10215,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4440,10215,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4460,10216,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4460,10216,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4460,10216,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4480,10217,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4480,10217,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4480,10217,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4500,10218,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4500,10218,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4500,10218,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4520,10219,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4520,10219,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4520,10219,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,4533,1022,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4553,10220,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4553,10220,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4553,10220,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4573,10221,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4573,10221,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4573,10221,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4593,10222,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4593,10222,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4593,10222,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4613,10223,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4613,10223,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4613,10223,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4633,10224,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4633,10224,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4633,10224,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4653,10225,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4653,10225,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4653,10225,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4673,10226,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4673,10226,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4673,10226,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4693,10227,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4693,10227,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4693,10227,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4713,10228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4713,10228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4713,10228,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4733,10229,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4733,10229,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4733,10229,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,4746,1023,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4766,10230,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4766,10230,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4766,10230,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4786,10231,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4786,10231,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4786,10231,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4806,10232,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4806,10232,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4806,10232,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4826,10233,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4826,10233,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4826,10233,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4846,10234,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4846,10234,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4846,10234,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4864,10235,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4864,10235,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4864,10235,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4883,10236,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4883,10236,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4883,10236,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4901,10237,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4901,10237,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4901,10237,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4919,10238,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4919,10238,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4919,10238,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4937,10239,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4937,10239,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4937,10239,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,4951,1024,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4969,10240,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4969,10240,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4969,10240,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,4987,10241,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,4987,10241,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,4987,10241,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5005,10242,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5005,10242,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5005,10242,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5025,10243,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5025,10243,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5025,10243,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5045,10244,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5045,10244,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5045,10244,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5063,10245,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5063,10245,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5063,10245,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5083,10246,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5083,10246,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5083,10246,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5103,10247,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5103,10247,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5103,10247,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5121,10248,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5121,10248,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5121,10248,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5139,10249,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5139,10249,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5139,10249,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,5152,1025,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5170,10250,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5170,10250,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5170,10250,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5188,10251,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5188,10251,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5188,10251,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5206,10252,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5206,10252,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5206,10252,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5224,10253,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5224,10253,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5224,10253,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5242,10254,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5242,10254,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5242,10254,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5260,10255,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5260,10255,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5260,10255,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5278,10256,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5278,10256,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5278,10256,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5298,10257,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5298,10257,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5298,10257,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5316,10258,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5316,10258,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5316,10258,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5334,10259,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5334,10259,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5334,10259,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5352,10260,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5352,10260,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5352,10260,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5370,10261,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5370,10261,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5370,10261,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5388,10262,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5388,10262,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5388,10262,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5406,10263,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5406,10263,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5406,10263,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5424,10264,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5424,10264,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5424,10264,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5442,10265,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5442,10265,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5442,10265,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5460,10266,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5460,10266,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5460,10266,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5478,10267,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5478,10267,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5478,10267,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5496,10268,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5496,10268,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5496,10268,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5514,10269,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5514,10269,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5514,10269,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,5527,1027,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5545,10270,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5545,10270,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5545,10270,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5563,10271,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5563,10271,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5563,10271,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5581,10272,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5581,10272,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5581,10272,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5599,10273,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5599,10273,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5599,10273,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5617,10274,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5617,10274,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5617,10274,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5635,10275,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5635,10275,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5635,10275,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5653,10276,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5653,10276,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5653,10276,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5671,10277,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5671,10277,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5671,10277,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5689,10278,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5689,10278,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5689,10278,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5707,10279,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5707,10279,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5707,10279,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,5720,1028,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5738,10280,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5738,10280,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5738,10280,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5756,10281,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5756,10281,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5756,10281,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5774,10282,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5774,10282,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5774,10282,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5792,10283,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5792,10283,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5792,10283,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5810,10284,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5810,10284,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5810,10284,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5828,10285,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5828,10285,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5828,10285,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5846,10286,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5846,10286,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5846,10286,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5864,10287,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5864,10287,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5864,10287,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5882,10288,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5882,10288,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5882,10288,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5900,10289,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5900,10289,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5900,10289,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,5913,1029,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5931,10290,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5931,10290,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5931,10290,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5949,10291,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5949,10291,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5949,10291,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5967,10292,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5967,10292,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5967,10292,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,5985,10293,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,5985,10293,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,5985,10293,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6003,10294,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6003,10294,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6003,10294,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6021,10295,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6021,10295,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6021,10295,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6039,10296,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6039,10296,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6039,10296,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6057,10297,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6057,10297,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6057,10297,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6075,10298,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6075,10298,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6075,10298,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6093,10299,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6093,10299,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6093,10299,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6106,103,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6119,1030,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6137,10300,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6137,10300,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6137,10300,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6155,10301,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6155,10301,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6155,10301,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6173,10302,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6173,10302,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6173,10302,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6193,10303,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6193,10303,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6193,10303,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6213,10304,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6213,10304,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6213,10304,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6233,10305,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6233,10305,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6233,10305,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6253,10306,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6253,10306,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6253,10306,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6273,10307,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6273,10307,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6273,10307,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6293,10308,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6293,10308,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6293,10308,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6313,10309,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6313,10309,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6313,10309,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6326,1031,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6346,10310,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6346,10310,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6346,10310,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6364,10311,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6364,10311,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6364,10311,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6382,10312,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6382,10312,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6382,10312,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6400,10313,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6400,10313,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6400,10313,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6418,10314,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6418,10314,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6418,10314,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6436,10315,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6436,10315,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6436,10315,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6454,10316,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6454,10316,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6454,10316,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6472,10317,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6472,10317,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6472,10317,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6490,10318,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6490,10318,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6490,10318,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6508,10319,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6508,10319,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6508,10319,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6521,1032,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6539,10320,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6539,10320,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6539,10320,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6557,10321,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6557,10321,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6557,10321,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6575,10322,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6575,10322,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6575,10322,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6593,10323,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6593,10323,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6593,10323,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6611,10324,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6611,10324,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6611,10324,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6629,10325,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6629,10325,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6629,10325,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6647,10326,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6647,10326,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6647,10326,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6665,10327,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6665,10327,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6665,10327,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6683,10328,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6683,10328,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6683,10328,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6701,10329,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6701,10329,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6701,10329,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6714,1033,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6732,10330,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6732,10330,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6732,10330,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6750,10331,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6750,10331,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6750,10331,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6768,10332,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6768,10332,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6768,10332,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6786,10333,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6786,10333,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6786,10333,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6804,10334,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6804,10334,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6804,10334,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6822,10335,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6822,10335,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6822,10335,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6856,10336,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6856,10336,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6856,10336,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6874,10337,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6874,10337,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6874,10337,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,6892,10338,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,6892,10338,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,6892,10338,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6905,1037,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6918,1039,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6931,104,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6945,1042,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6959,1043,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6973,1044,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,6987,1045,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7000,1046,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7013,1049,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7026,105,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7039,1053,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7053,1056,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7068,1058,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7081,106,1
C,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,7094,1061,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,7094,1061,1
C,,TSP,,,,,,,0,,,,,,,,,,,,,7107,1062,1
H,,TSP,,,,,,,0,,,,,,,,,,,,,7107,1062,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7120,1065,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7133,1066,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7146,107,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,7159,1071,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7172,1072,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7185,108,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7198,109,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7211,1093,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7226,1095,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,7239,1096,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,7252,1097,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,7265,1098,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7279,1099,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7293,1100,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7311,11000,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7311,11000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7311,11000,1
C,13,dioxane,carbon,,,,,ppm,69.4,internal,direct,1.000000000,,,,,,,,,,7333,11001,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,7333,11001,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,7333,11001,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7350,11002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7350,11002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7367,11003,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7367,11003,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,7384,11004,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7402,11005,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,7421,11006,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7444,11007,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7467,11008,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7486,11009,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7486,11009,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7486,11009,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7499,1101,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7524,11010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7524,11010,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7524,11010,1
C,13,dioxane,methylene carbons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,7540,11011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,7540,11011,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,7540,11011,1
C,13,DSS,methyl protons,,,,,ppm,2.61,,indirect,0.251449530,,,,,,,,,,7562,11012,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,7562,11012,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,7562,11012,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7577,11013,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7577,11013,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7577,11013,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,7608,11014,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,7608,11014,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,7608,11014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7624,11016,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7663,11017,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7663,11017,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7663,11017,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7684,11018,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7684,11018,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7684,11018,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7707,11019,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7707,11019,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7707,11019,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,7720,1102,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7747,11020,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7747,11020,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7747,11020,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,7766,11021,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7782,11022,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,7800,11024,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,7800,11024,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,7800,11024,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7818,11026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7818,11026,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7818,11026,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7834,11027,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7834,11027,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7834,11027,1
C,13,adamantan,methine carbon,,,,,ppm,31.47,external,direct,1.0,,,,,,,,,,7854,11028,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.10132912,,,,,,,,,,7854,11028,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,7877,11029,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1,,,,,,,,,,7877,11029,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0.00,external,direct,1,,,,,,,,,,7877,11029,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,7899,11030,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1,,,,,,,,,,7899,11030,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0.00,external,direct,1,,,,,,,,,,7899,11030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7917,11031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7917,11031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7917,11031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7936,11032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7936,11032,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7936,11032,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7955,11033,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7955,11033,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7955,11033,1
C,13,TMS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144954,,,,,,,,,,7972,11034,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,,,,,,,7972,11034,1
N,15,TMS,methyl protons,,,,,ppm,0.00,internal,indirect,0.1013291444,,,,,,,,,,7972,11034,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,7988,11035,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,7988,11035,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,7988,11035,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.25144954,,,,,,,,,,8007,11036,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1.0,,,,,,,,,,8007,11036,1
N,15,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.1013291444,,,,,,,,,,8007,11036,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8023,11037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8023,11037,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8023,11037,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8045,11038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8045,11038,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8045,11038,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,8058,1104,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8077,11040,1
H,1,water,protons,,,,,ppm,4.793,internal,direct,1,,,,,,,,,,8077,11040,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8077,11040,1
C,13,dioxane,carbons,,,,,ppm,69.3,,direct,1.0,,,,,,,,,,8093,11041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8093,11041,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8093,11041,1
C,13,,,,,,,ppm,0,,direct,,,,,,,,,,,8113,11042,1
H,1,,,,,,,ppm,0,,direct,,,,,,,,,,,8113,11042,1
N,15,,,,,,,ppm,0,,direct,,,,,,,,,,,8113,11042,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8131,11043,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8131,11043,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8131,11043,1
H,1,TSP,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,8148,11044,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8163,11045,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8178,11046,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8193,11047,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8208,11048,1
H,1,water,protons,,,,,ppm,4.700,internal,direct,1.0,,,,,,,,,,8223,11049,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8223,11049,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,8236,1105,1
H,1,water,protons,,,,,ppm,4.700,internal,direct,1.0,,,,,,,,,,8250,11050,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8250,11050,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.55,internal,direct,1.000000000,,,,,,,,,,8266,11051,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,8266,11051,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.55,internal,direct,1.000000000,,,,,,,,,,8282,11052,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,8282,11052,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8300,11053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8300,11053,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8300,11053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8321,11054,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8321,11054,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,8335,11055,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,8335,11055,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,8335,11055,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8353,11056,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,8372,11057,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,8372,11057,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,8372,11057,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8390,11058,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8390,11058,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8409,11059,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8409,11059,1
C,13,dioxane,methylene carbons,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,8430,11060,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,8430,11060,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.10136767,,,,,,,,,,8430,11060,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8452,11061,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8452,11061,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8452,11061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,8468,11062,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8468,11062,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,8468,11062,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8482,11063,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8482,11063,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8482,11063,1
C,13,adamantan,methine carbon,,,,,ppm,31.47,external,direct,1.0,,,,,,,,,,8505,11064,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.10132912,,,,,,,,,,8505,11064,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8526,11065,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8526,11065,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8526,11065,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,8542,11067,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,-0.0351,,,8542,11067,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,8542,11067,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8556,11068,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8570,11069,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,8585,1107,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8601,11070,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,8601,11070,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8619,11072,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,8644,11073,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,8644,11073,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0.00,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,8644,11073,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8661,11074,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,8661,11074,1
C,13,dioxane,methylene carbons,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,8682,11075,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,8682,11075,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.10136767,,,,,,,,,,8682,11075,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,8709,11076,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,8709,11076,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,8709,11076,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,8732,11077,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00,,,,1,entry_citation,,,1,entry_citation,8732,11077,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,8732,11077,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,8750,11078,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,8750,11078,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,8750,11078,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,8766,1108,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,8783,11080,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,8783,11080,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,8783,11080,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,8812,11081,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,8812,11081,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,8812,11081,1
C,13,water,protons,,,,,ppm,4.964,internal,indirect,0.251449530,,,,,,,,,,8835,11082,1
H,1,water,protons,,,,,ppm,4.964,internal,direct,1.0,,,,,,,,,,8835,11082,1
N,15,water,protons,,,,,ppm,4.964,internal,indirect,0.101329118,,,,,,,,,,8835,11082,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8853,11083,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8853,11083,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8853,11083,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8871,11084,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8871,11084,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8871,11084,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8889,11085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8889,11085,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8889,11085,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8907,11086,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8907,11086,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8907,11086,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8925,11087,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8925,11087,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8925,11087,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8943,11088,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8943,11088,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8943,11088,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8961,11089,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8961,11089,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8961,11089,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,8977,1109,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,8995,11090,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,8995,11090,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,8995,11090,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9013,11091,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9013,11091,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9013,11091,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9031,11092,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9031,11092,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9031,11092,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9051,11093,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9051,11093,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9051,11093,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9070,11094,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9070,11094,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9070,11094,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9088,11095,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9088,11095,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9088,11095,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9106,11096,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9106,11096,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9106,11096,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9124,11097,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9124,11097,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9124,11097,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9142,11098,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9142,11098,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9142,11098,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9160,11099,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9160,11099,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9160,11099,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,9176,1110,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9194,11100,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9194,11100,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9194,11100,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9212,11101,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9212,11101,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9212,11101,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9230,11102,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9230,11102,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9230,11102,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9248,11103,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9248,11103,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9248,11103,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9266,11104,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9266,11104,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9266,11104,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9284,11105,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9284,11105,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9284,11105,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9302,11106,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9302,11106,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9302,11106,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9320,11107,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9320,11107,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9320,11107,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9338,11108,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9338,11108,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9338,11108,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9356,11109,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9356,11109,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9356,11109,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,9372,1111,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9390,11110,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9390,11110,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9390,11110,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9408,11111,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9408,11111,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9408,11111,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9426,11112,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9426,11112,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9426,11112,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9444,11113,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9444,11113,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9444,11113,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9462,11114,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9462,11114,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9462,11114,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,9486,11115,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,9486,11115,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,9486,11115,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9504,11116,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9504,11116,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9504,11116,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9522,11117,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9522,11117,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9522,11117,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9540,11118,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9540,11118,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9540,11118,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9558,11119,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9558,11119,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9558,11119,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,9574,1112,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9592,11120,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9592,11120,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9592,11120,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9610,11121,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9610,11121,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9610,11121,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9628,11122,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9628,11122,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9628,11122,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9646,11123,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9646,11123,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9646,11123,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9664,11124,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9664,11124,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9664,11124,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9682,11125,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9682,11125,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9682,11125,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9700,11126,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9700,11126,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9700,11126,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9718,11127,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9718,11127,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9718,11127,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9736,11128,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9736,11128,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9736,11128,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9754,11129,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9754,11129,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9754,11129,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,9770,1113,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9790,11130,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9790,11130,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9790,11130,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9810,11131,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9810,11131,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9810,11131,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9828,11132,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9828,11132,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9828,11132,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9846,11133,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9846,11133,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9846,11133,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9864,11134,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9864,11134,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9864,11134,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9882,11135,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9882,11135,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9882,11135,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9900,11136,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9900,11136,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9900,11136,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9918,11137,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9918,11137,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9918,11137,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9936,11138,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9936,11138,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9936,11138,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9954,11139,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9954,11139,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9954,11139,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,9970,1114,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,9988,11140,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,9988,11140,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,9988,11140,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10006,11141,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10006,11141,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10006,11141,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10024,11142,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10024,11142,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10024,11142,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10042,11143,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10042,11143,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10042,11143,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10060,11144,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10060,11144,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10060,11144,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10078,11145,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10078,11145,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10078,11145,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10098,11146,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10098,11146,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10098,11146,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10116,11147,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10116,11147,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10116,11147,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10134,11148,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10134,11148,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10134,11148,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,10150,11149,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1,,,,,,,,,,10150,11149,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,10150,11149,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,10166,1115,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10184,11150,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10184,11150,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10184,11150,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10204,11151,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10204,11151,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10204,11151,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10222,11152,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10222,11152,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10222,11152,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10240,11153,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10240,11153,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10240,11153,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10258,11154,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10258,11154,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10258,11154,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10275,11155,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10275,11155,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10275,11155,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10293,11156,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10293,11156,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10293,11156,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10313,11157,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10313,11157,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10313,11157,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10331,11158,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10331,11158,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10331,11158,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10351,11159,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10351,11159,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10351,11159,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,10367,1116,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10385,11160,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10385,11160,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10385,11160,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10405,11161,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10405,11161,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10405,11161,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10425,11162,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10425,11162,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10425,11162,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10445,11163,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10445,11163,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10445,11163,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10465,11164,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10465,11164,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10465,11164,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10485,11165,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10485,11165,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10485,11165,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10505,11166,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10505,11166,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10505,11166,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10525,11167,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10525,11167,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10525,11167,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10545,11168,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10545,11168,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10545,11168,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10565,11169,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10565,11169,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10565,11169,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,10581,1117,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10601,11170,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10601,11170,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10601,11170,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10621,11171,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10621,11171,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10621,11171,1
C,13,adamantane,methine carbon,,,,,ppm,40.5,external,direct,1.0,,,,,,,,,,10640,11172,1
N,15,DSS,methyl carbon,,,,,ppm,0.00,na,indirect,0.402979946,,,,,,,,,,10640,11172,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10658,11173,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10658,11173,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10658,11173,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,10674,11175,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,10674,11175,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,10674,11175,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,10692,11176,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,10706,11177,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,10706,11177,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,10706,11177,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10724,11178,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10724,11178,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10724,11178,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10742,11179,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10742,11179,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10742,11179,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10760,11180,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10760,11180,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10760,11180,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10778,11181,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10778,11181,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10778,11181,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10797,11182,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10797,11182,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10797,11182,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10815,11183,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10815,11183,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10815,11183,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10833,11184,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10833,11184,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10833,11184,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10851,11185,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10851,11185,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10851,11185,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10869,11186,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10869,11186,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10869,11186,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10887,11187,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10887,11187,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10887,11187,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10905,11188,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10905,11188,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10905,11188,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10923,11189,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10923,11189,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10923,11189,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10942,11190,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10942,11190,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10942,11190,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10960,11191,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10960,11191,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10960,11191,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10978,11192,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10978,11192,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10978,11192,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,10996,11193,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,10996,11193,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,10996,11193,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11014,11194,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11014,11194,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11014,11194,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11032,11195,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11032,11195,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11032,11195,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11050,11196,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11050,11196,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11050,11196,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11068,11197,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11068,11197,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11068,11197,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11086,11198,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11086,11198,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11086,11198,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11104,11199,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11104,11199,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11104,11199,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,11117,112,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,11130,1120,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11148,11200,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11148,11200,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11148,11200,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11166,11201,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11166,11201,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11166,11201,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11184,11202,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11184,11202,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11184,11202,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11202,11203,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11202,11203,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11202,11203,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11220,11204,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11220,11204,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11220,11204,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11240,11205,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11240,11205,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11240,11205,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11259,11206,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11259,11206,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11259,11206,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11278,11207,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11278,11207,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11278,11207,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11297,11208,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11297,11208,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11297,11208,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11315,11209,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11315,11209,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11315,11209,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11333,11210,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11333,11210,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11333,11210,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11352,11211,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11352,11211,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11352,11211,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11371,11212,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11371,11212,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11371,11212,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11389,11213,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11389,11213,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11389,11213,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11407,11214,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11407,11214,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11407,11214,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11425,11215,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11425,11215,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11425,11215,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11444,11216,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11444,11216,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11444,11216,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11462,11217,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11462,11217,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11462,11217,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11480,11218,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11480,11218,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11480,11218,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11499,11219,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11499,11219,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11499,11219,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11517,11220,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11517,11220,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11517,11220,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11535,11221,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11535,11221,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11535,11221,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11553,11222,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11553,11222,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11553,11222,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11571,11223,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11571,11223,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11571,11223,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11589,11224,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11589,11224,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11589,11224,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11607,11225,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11607,11225,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11607,11225,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11625,11226,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11625,11226,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11625,11226,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11643,11227,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11643,11227,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11643,11227,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11661,11228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11661,11228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11661,11228,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11679,11229,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11679,11229,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11679,11229,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11697,11230,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11697,11230,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11697,11230,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11716,11231,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11716,11231,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11716,11231,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11734,11232,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11734,11232,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11734,11232,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11752,11233,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11752,11233,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11752,11233,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11772,11234,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11772,11234,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11772,11234,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11790,11235,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11790,11235,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11790,11235,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11808,11236,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11808,11236,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11808,11236,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11829,11237,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11829,11237,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11829,11237,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11849,11238,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11849,11238,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11849,11238,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11869,11239,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11869,11239,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11869,11239,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11887,11240,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11887,11240,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11887,11240,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11905,11242,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11905,11242,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11905,11242,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11923,11244,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11923,11244,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11923,11244,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11941,11245,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11941,11245,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11941,11245,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11959,11246,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11959,11246,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11959,11246,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11978,11247,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11978,11247,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11978,11247,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,11996,11248,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,11996,11248,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,11996,11248,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,12017,11249,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,12017,11249,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,12017,11249,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,12038,11250,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,12038,11250,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,12038,11250,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12056,11251,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12056,11251,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12056,11251,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,12075,11252,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,12075,11252,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,12075,11252,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12093,11253,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12093,11253,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12093,11253,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12111,11254,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12111,11254,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12111,11254,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12129,11255,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12129,11255,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12129,11255,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12147,11256,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12147,11256,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12147,11256,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12165,11257,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12165,11257,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12165,11257,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12183,11258,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12183,11258,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12183,11258,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12201,11259,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12201,11259,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12201,11259,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12219,11260,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12219,11260,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12219,11260,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12237,11261,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12237,11261,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12237,11261,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12255,11262,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12255,11262,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12255,11262,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12273,11263,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12273,11263,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12273,11263,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12291,11264,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12291,11264,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12291,11264,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12309,11265,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12309,11265,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12309,11265,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12327,11266,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12327,11266,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12327,11266,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12345,11267,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12345,11267,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12345,11267,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12363,11268,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12363,11268,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12363,11268,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12381,11269,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12381,11269,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12381,11269,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,12394,1127,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12412,11270,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12412,11270,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12412,11270,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12430,11271,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12430,11271,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12430,11271,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12448,11272,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12448,11272,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12448,11272,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12466,11273,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12466,11273,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12466,11273,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12484,11274,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12484,11274,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12484,11274,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12502,11275,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12502,11275,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12502,11275,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12520,11276,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12520,11276,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12520,11276,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12538,11277,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12538,11277,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12538,11277,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12556,11278,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12556,11278,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12556,11278,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12574,11279,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12574,11279,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12574,11279,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,12587,1128,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12605,11280,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12605,11280,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12605,11280,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12623,11281,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12623,11281,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12623,11281,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12641,11282,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12641,11282,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12641,11282,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12659,11283,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12659,11283,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12659,11283,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12677,11284,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12677,11284,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12677,11284,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12695,11285,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12695,11285,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12695,11285,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12713,11286,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12713,11286,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12713,11286,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12733,11287,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12733,11287,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12733,11287,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12751,11288,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12751,11288,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12751,11288,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12771,11289,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12771,11289,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12771,11289,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,12784,1129,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12802,11290,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12802,11290,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12802,11290,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12820,11291,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12820,11291,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12820,11291,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12838,11292,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12838,11292,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12838,11292,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12858,11293,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12858,11293,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12858,11293,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12876,11294,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12876,11294,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12876,11294,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12894,11295,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12894,11295,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12894,11295,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12912,11296,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12912,11296,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12912,11296,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12930,11297,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12930,11297,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12930,11297,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12948,11298,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12948,11298,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12948,11298,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12966,11299,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12966,11299,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12966,11299,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,12984,11300,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,12984,11300,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,12984,11300,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13002,11301,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13002,11301,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13002,11301,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13022,11302,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13022,11302,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13022,11302,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13040,11303,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13040,11303,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13040,11303,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13058,11304,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13058,11304,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13058,11304,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13078,11305,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13078,11305,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13078,11305,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13098,11306,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13098,11306,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13098,11306,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13118,11307,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13118,11307,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13118,11307,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13138,11308,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13138,11308,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13138,11308,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13158,11309,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13158,11309,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13158,11309,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13176,11310,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13176,11310,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13176,11310,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13194,11311,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13194,11311,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13194,11311,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13214,11312,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13214,11312,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13214,11312,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13234,11313,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13234,11313,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13234,11313,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13254,11314,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13254,11314,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13254,11314,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13274,11315,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13274,11315,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13274,11315,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13294,11316,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13294,11316,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13294,11316,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13314,11317,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13314,11317,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13314,11317,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13332,11318,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13332,11318,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13332,11318,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13352,11319,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13352,11319,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13352,11319,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13370,11320,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13370,11320,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13370,11320,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13390,11321,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13390,11321,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13390,11321,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13408,11322,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13408,11322,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13408,11322,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13428,11323,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13428,11323,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13428,11323,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13448,11324,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13448,11324,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13448,11324,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13468,11325,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13468,11325,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13468,11325,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13488,11326,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13488,11326,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13488,11326,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13508,11327,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13508,11327,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13508,11327,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13528,11328,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13528,11328,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13528,11328,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13546,11329,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13546,11329,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13546,11329,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,13559,1133,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13577,11330,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13577,11330,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13577,11330,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13597,11331,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13597,11331,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13597,11331,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13617,11332,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13617,11332,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13617,11332,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13637,11333,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13637,11333,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13637,11333,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13655,11334,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13655,11334,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13655,11334,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13675,11335,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13675,11335,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13675,11335,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13695,11336,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13695,11336,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13695,11336,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13713,11337,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13713,11337,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13713,11337,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13731,11338,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13731,11338,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13731,11338,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13751,11339,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13751,11339,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13751,11339,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,13764,1134,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13784,11340,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13784,11340,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13784,11340,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13804,11341,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13804,11341,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13804,11341,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13824,11342,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13824,11342,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13824,11342,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13844,11343,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13844,11343,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13844,11343,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13864,11344,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13864,11344,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13864,11344,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13882,11345,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13882,11345,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13882,11345,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13900,11346,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13900,11346,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13900,11346,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13920,11347,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13920,11347,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13920,11347,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13938,11348,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13938,11348,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13938,11348,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13958,11349,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13958,11349,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13958,11349,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,13971,1135,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,13991,11350,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,13991,11350,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,13991,11350,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14009,11351,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14009,11351,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14009,11351,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14029,11352,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14029,11352,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14029,11352,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14049,11353,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14049,11353,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14049,11353,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14069,11354,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14069,11354,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14069,11354,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14087,11355,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14087,11355,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14087,11355,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14105,11356,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14105,11356,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14105,11356,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14123,11357,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14123,11357,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14123,11357,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14144,11358,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14144,11358,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14144,11358,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15170,11408,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14166,11359,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14166,11359,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14166,11359,1
N,,[15N]CH3NO2,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,14179,1136,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14201,11360,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14201,11360,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14201,11360,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14223,11361,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14223,11361,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14223,11361,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14243,11362,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14243,11362,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14243,11362,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14263,11363,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14263,11363,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14263,11363,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14283,11364,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14283,11364,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14283,11364,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14304,11365,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14304,11365,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14304,11365,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14324,11366,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14324,11366,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14324,11366,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14343,11367,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14343,11367,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14343,11367,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14363,11368,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14363,11368,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14363,11368,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14383,11369,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14383,11369,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14383,11369,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,14396,1137,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14410,11370,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14410,11370,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14410,11370,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14424,11371,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14424,11371,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14424,11371,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14438,11372,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14438,11372,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14438,11372,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14452,11373,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14452,11373,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14452,11373,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14467,11374,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14467,11374,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14467,11374,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14482,11375,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14482,11375,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14482,11375,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14496,11376,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14496,11376,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14496,11376,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14516,11377,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14516,11377,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14516,11377,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14536,11378,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14536,11378,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14536,11378,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14556,11379,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14556,11379,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14556,11379,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,14569,1138,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14589,11380,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14589,11380,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14589,11380,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14609,11381,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14609,11381,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14609,11381,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14629,11382,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14629,11382,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14629,11382,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14649,11383,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14649,11383,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19522,1227,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14649,11383,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14669,11384,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14669,11384,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14669,11384,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14689,11385,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14689,11385,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14689,11385,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14709,11386,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14709,11386,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14709,11386,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14729,11387,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14729,11387,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14729,11387,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14747,11388,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14747,11388,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14747,11388,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14765,11389,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14765,11389,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14765,11389,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,14778,1139,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14796,11390,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14796,11390,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14796,11390,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14816,11391,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14816,11391,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14816,11391,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14836,11392,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14836,11392,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14836,11392,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14856,11393,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14856,11393,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14856,11393,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14876,11394,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14876,11394,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14876,11394,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14896,11395,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14896,11395,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14896,11395,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14916,11396,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14916,11396,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14916,11396,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14934,11397,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14934,11397,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14934,11397,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14952,11398,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14952,11398,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14952,11398,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,14970,11399,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,14970,11399,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,14970,11399,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,14983,114,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,14996,1140,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15014,11400,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15014,11400,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15014,11400,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15034,11401,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15034,11401,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15034,11401,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15052,11402,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15052,11402,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15052,11402,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15072,11403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15072,11403,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15072,11403,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15090,11404,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15090,11404,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15090,11404,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15109,11405,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15109,11405,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15109,11405,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15129,11406,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15129,11406,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15129,11406,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15149,11407,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15149,11407,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15149,11407,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15170,11408,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19535,1228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15170,11408,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15190,11409,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15190,11409,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15190,11409,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15210,11410,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15210,11410,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15230,11411,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15230,11411,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15250,11412,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15250,11412,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15269,11413,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15269,11413,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15269,11413,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15289,11414,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15289,11414,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15289,11414,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15309,11415,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15309,11415,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15309,11415,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15329,11416,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15329,11416,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15329,11416,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,15347,11417,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,15347,11417,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,15347,11417,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,15363,11419,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15363,11419,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,15363,11419,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,15379,11420,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15379,11420,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,15379,11420,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,15403,11422,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,15403,11422,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,15403,11422,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15424,11423,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15424,11423,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15424,11423,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,15443,11424,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15443,11424,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,15443,11424,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,15458,11425,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,15458,11425,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,15458,11425,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15476,11426,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15476,11426,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15476,11426,1
C,13,TSP,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,15493,11427,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,15493,11427,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,15493,11427,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.000000000,,,,,,,,,,15508,11428,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15508,11428,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15522,11429,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15522,11429,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15522,11429,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15536,11430,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15536,11430,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15536,11430,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15550,11431,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15550,11431,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15550,11431,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15565,11434,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15565,11434,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15565,11434,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,direct,0.251449530,,,,,,,,,,15581,11435,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,15581,11435,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,15581,11435,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15596,11436,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15596,11436,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15596,11436,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,15617,11437,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,15637,11438,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,15651,11439,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,15664,1144,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,15682,11440,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,15696,11441,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15696,11441,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,15696,11441,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15712,11442,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,15712,11442,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15712,11442,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,15732,11443,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1,,,,,,,,,,15732,11443,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,15732,11443,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,15745,1145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15762,11450,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15762,11450,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15762,11450,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15779,11451,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15779,11451,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15779,11451,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15799,11452,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,15799,11452,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15799,11452,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,15813,11453,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,15813,11453,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,15813,11453,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,15830,11454,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,15830,11454,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,15830,11454,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,15846,11456,1
H,1,water,protons,,,,,ppm,4.784,internal,indirect,1.0,,,,,,,,,,15846,11456,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,15846,11456,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,15862,11457,1
H,1,water,protons,,,,,ppm,4.784,internal,indirect,1.0,,,,,,,,,,15862,11457,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,15862,11457,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,15876,11458,1
H,1,water,protons,,,,,ppm,4.784,internal,indirect,1.0,,,,,,,,,,15876,11458,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,15876,11458,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.55,internal,direct,1,,,,,,,,,,15891,11459,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15891,11459,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.55,internal,direct,1,,,,,,,,,,15906,11460,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15906,11460,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.55,internal,direct,1,,,,,,,,,,15921,11461,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15921,11461,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.55,internal,direct,1,,,,,,,,,,15936,11462,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15936,11462,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15956,11463,1
H,1,water,protons,,,,,ppm,4.89,internal,direct,1.000000000,,,,,,,,,,15956,11463,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15956,11463,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15970,11466,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15970,11466,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15970,11466,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,15984,11467,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,15984,11467,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,15984,11467,1
C,13,water,protons,,,,,ppm,4.76,internal,indirect,0.251449530,,,,,,,,,,16003,11468,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,16003,11468,1
N,15,water,protons,,,,,ppm,4.76,internal,indirect,0.101329118,,,,,,,,,,16003,11468,1
C,13,TSP,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,16026,11469,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,16026,11469,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,16026,11469,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,16041,1147,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16066,11470,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,16066,11470,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16066,11470,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,16081,11471,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,16081,11471,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,16081,11471,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16102,11472,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16102,11472,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16102,11472,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16117,11473,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16117,11473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16117,11473,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16137,11474,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16137,11474,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16137,11474,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16157,11475,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16157,11475,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16157,11475,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16177,11476,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16177,11476,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16177,11476,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16197,11477,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16197,11477,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16197,11477,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16217,11478,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16217,11478,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16217,11478,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16237,11479,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16237,11479,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16237,11479,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,16252,1148,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16272,11480,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16272,11480,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16272,11480,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16292,11481,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16292,11481,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16292,11481,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16312,11482,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16312,11482,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16312,11482,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16332,11483,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16332,11483,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16332,11483,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16352,11484,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16352,11484,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16352,11484,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16372,11485,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16372,11485,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16372,11485,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16392,11486,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16392,11486,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16392,11486,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16412,11487,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16412,11487,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16412,11487,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16432,11488,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16432,11488,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16432,11488,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16454,11489,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,16469,1149,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,0.01538,,,,16486,11490,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,0.06116,,,,16486,11490,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,0.00620,,,,16486,11490,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,16505,11491,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.000000000,,,,,,,,,,16505,11491,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,16505,11491,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16523,11492,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16523,11492,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16523,11492,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16538,11493,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16538,11493,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16538,11493,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16553,11494,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16553,11494,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16553,11494,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,1,entry_citation,0.01538,,1,entry_citation,16570,11495,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,1,entry_citation,0.06116,,1,entry_citation,16570,11495,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,1,entry_citation,0.00620,,1,entry_citation,16570,11495,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16591,11496,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16591,11496,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16591,11496,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16609,11497,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16609,11497,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16609,11497,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16626,11498,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16626,11498,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19548,123,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16626,11498,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16645,11499,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16645,11499,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16645,11499,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,16658,115,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,16673,1150,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16692,11500,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16692,11500,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16692,11500,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16711,11501,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16711,11501,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16711,11501,1
C,13,dioxane,methylene carbons,,,,,ppm,69.3,external,direct,1.0,,,,,,,,,,16737,11502,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16737,11502,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16737,11502,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16757,11504,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16757,11504,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16757,11504,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144952,,,,,,,,,,16774,11505,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16774,11505,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.10132905,,,,,,,,,,16774,11505,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,16796,11506,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,16796,11506,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,16796,11506,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16812,11507,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16812,11507,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16812,11507,1
C,13,water,protons,,,,,ppm,4.773,internal,direct,0.251449530,,,,,,,,,,16839,11508,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,16839,11508,1
N,15,water,protons,,,,,ppm,4.773,internal,direct,0.101329118,,,,,,,,,,16839,11508,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,16852,1151,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16867,11511,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16867,11511,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16867,11511,1
C,13,adamantane,methylene carbons,,,,,ppm,40.49,external,direct,1,,,,,,,,,,16882,11512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16897,11513,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16897,11513,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16897,11513,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,16911,11514,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16911,11514,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,16911,11514,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,16911,11514,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,16925,11515,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,16925,11515,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,16943,11516,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1,,,,,,,,,,16943,11516,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,16943,11516,1
C,13,water,protons,,,,,ppm,4.784,internal,indirect,0.251449530,,,,,,,,,,16960,11519,1
H,1,water,protons,,,,,ppm,4.784,internal,direct,1,,,,,,,,,,16960,11519,1
N,15,water,protons,,,,,ppm,4.784,internal,indirect,0.101329118,,,,,,,,,,16960,11519,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,16973,1152,1
H,1,water,protons,,,,,ppm,4.784,internal,direct,1,,,,,,,,,,16990,11520,1
N,15,water,protons,,,,,ppm,4.784,internal,indirect,0.101329118,,,,,,,,,,16990,11520,1
H,1,water,protons,,,,,ppm,4.784,internal,direct,1,,,,,,,,,,17007,11521,1
N,15,water,protons,,,,,ppm,4.784,internal,indirect,0.101329118,,,,,,,,,,17007,11521,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17021,11522,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17021,11522,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17021,11522,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17045,11523,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17045,11523,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17045,11523,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17058,11524,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,17076,11525,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17076,11525,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,17076,11525,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144952,,,,,,,,,,17092,11526,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17092,11526,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132905,,,,,,,,,,17092,11526,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17107,11527,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17107,11527,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17107,11527,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,17128,11528,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,17149,11529,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,20670,1485,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,17149,11529,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,17149,11529,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,17162,1153,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17176,11530,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17176,11530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17176,11530,1
C,13,water,protons,,,,,ppm,4.725,internal,indirect,0.251449530,,,,,,,,,,17200,11531,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1,,,,,,,,,,17200,11531,1
N,15,water,protons,,,,,ppm,4.725,internal,indirect,0.101329118,,,,,,,,,,17200,11531,1
C,13,water,protons,,,,,ppm,4.844,internal,indirect,0.251449530,,,,,,,,,,17221,11532,1
H,1,water,protons,,,,,ppm,4.844,internal,direct,1.0,,,,,,,,,,17221,11532,1
N,15,water,protons,,,,,ppm,4.844,internal,indirect,0.101329118,,,,,,,,,,17221,11532,1
C,13,water,protons,,,,,ppm,4.780,internal,indirect,0.251449530,,,,,,,,,,17240,11534,1
H,1,water,protons,,,,,ppm,4.780,internal,direct,1.0,,,,,,,,,,17240,11534,1
N,15,water,protons,,,,,ppm,4.780,internal,indirect,0.101329118,,,,,,,,,,17240,11534,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17256,11535,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17272,11536,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17288,11537,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,17304,11538,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,17320,11539,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,17333,1154,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17350,11540,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17350,11540,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17350,11540,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17367,11541,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17367,11541,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17367,11541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17382,11542,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17382,11542,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17382,11542,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17401,11543,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17401,11543,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17425,11544,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17425,11544,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17425,11544,1
C,13,water,protons,,,,,ppm,4.849,internal,indirect,0.25144953,,,,,,,,,,17440,11545,1
H,1,water,protons,,,,,ppm,4.849,internal,direct,1,,,,,,,,,,17440,11545,1
N,15,water,protons,,,,,ppm,4.849,internal,indirect,0.101329118,,,,,,,,,,17440,11545,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17458,11546,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,17458,11546,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17458,11546,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,17475,11547,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,17475,11547,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,17475,11547,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17496,11548,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17496,11548,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17496,11548,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,17515,11549,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,17515,11549,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,17515,11549,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,17528,1155,1
C,13,adamantan,methine carbon,,,,,ppm,40.5,external,direct,1.0,,,,,,,,,,17543,11550,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,17561,11551,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,17561,11551,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,17579,11552,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,17579,11552,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,17597,11553,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,17597,11553,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,17615,11554,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,17615,11554,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,17631,11555,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.000000000,,,,,,,,,,17631,11555,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,17631,11555,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17647,11556,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17647,11556,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17647,11556,1
C,13,water,protons,,,,,ppm,4.844,internal,indirect,0.251449530,,,,,,,,,,17664,11557,1
H,1,water,protons,,,,,ppm,4.844,internal,direct,1.0,,,,,,,,,,17664,11557,1
N,15,water,protons,,,,,ppm,4.844,internal,indirect,0.101329118,,,,,,,,,,17664,11557,1
C,13,water,protons,,,,,ppm,4.844,internal,indirect,0.251449530,,,,,,,,,,17681,11558,1
H,1,water,protons,,,,,ppm,4.844,internal,direct,1.0,,,,,,,,,,17681,11558,1
N,15,water,protons,,,,,ppm,4.844,internal,indirect,0.101329118,,,,,,,,,,17681,11558,1
C,13,water,protons,,,,,ppm,4.844,internal,indirect,0.251449530,,,,,,,,,,17701,11559,1
H,1,water,protons,,,,,ppm,4.844,internal,direct,1.0,,,,,,,,,,17701,11559,1
N,15,water,protons,,,,,ppm,4.844,internal,indirect,0.101329118,,,,,,,,,,17701,11559,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,17714,1156,1
C,13,water,protons,,,,,ppm,4.844,internal,indirect,0.251449530,,,,,,,,,,17734,11560,1
H,1,water,protons,,,,,ppm,4.844,internal,direct,1.0,,,,,,,,,,17734,11560,1
N,15,water,protons,,,,,ppm,4.844,internal,indirect,0.101329118,,,,,,,,,,17734,11560,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,17753,11561,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,17753,11561,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,17753,11561,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,17772,11562,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,17772,11562,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,17772,11562,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251441953,,,,,,,,,,17791,11563,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,17791,11563,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,17791,11563,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,17804,11564,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,17804,11564,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,17804,11564,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,17818,11565,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,17818,11565,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,17818,11565,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,17832,11566,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,17832,11566,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,17832,11566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17846,11567,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17846,11567,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17846,11567,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17860,11568,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17860,11568,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17860,11568,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17881,11569,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17881,11569,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17881,11569,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,17912,11570,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,17912,11570,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,17912,11570,1
C,13,water,protons,,,,,ppm,4.803,internal,indirect,0.251449530,,,,,,,,,,17929,11572,1
H,1,water,protons,,,,,ppm,4.803,internal,direct,1.0,,,,,,,,,,17929,11572,1
N,15,water,protons,,,,,ppm,4.803,internal,indirect,0.101329118,,,,,,,,,,17929,11572,1
C,13,water,protons,,,,,ppm,4.792,internal,indirect,0.251449530,,,,,,,,,,17947,11573,1
H,1,water,protons,,,,,ppm,4.792,internal,direct,1.0,,,,,,,,,,17947,11573,1
N,15,water,protons,,,,,ppm,4.792,internal,indirect,0.101329118,,,,,,,,,,17947,11573,1
H,1,water,protons,,,,,ppm,4.780,internal,direct,1,,,,,,,,,,17964,11574,1
C,13,water,protons,,,,,ppm,4.780,internal,indirect,0.251449530,,,,,,,,,,17964,11574,1
N,15,water,protons,,,,,ppm,4.780,internal,indirect,0.101329118,,,,,,,,,,17964,11574,1
H,1,water,protons,,,,,ppm,4.780,internal,direct,1,,,,,,,,,,17981,11575,1
C,13,water,protons,,,,,ppm,4.780,internal,indirect,0.251449530,,,,,,,,,,17981,11575,1
N,15,water,protons,,,,,ppm,4.780,internal,indirect,0.101329118,,,,,,,,,,17981,11575,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18004,11578,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18004,11578,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18004,11578,1
C,,p-dioxane,,,,,,ppm,66.55,,,,,,,,,,,,,18018,1158,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18033,11580,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18033,11580,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18048,11581,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18048,11581,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18063,11582,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18063,11582,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18079,11583,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18079,11583,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18079,11583,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18093,11584,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18093,11584,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18093,11584,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18107,11585,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18107,11585,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18107,11585,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,18127,11587,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,18127,11587,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,18127,11587,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,18147,11588,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,18147,11588,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,18147,11588,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,18163,11589,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,18163,11589,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,18163,11589,1
C,,p-dioxane,,,,,,ppm,66.55,,,,,,,,,,,,,18176,1159,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18201,11590,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,18201,11590,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18201,11590,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18218,11591,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18218,11591,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18218,11591,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18236,11592,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18236,11592,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18236,11592,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18251,11593,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18251,11593,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18251,11593,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18275,11594,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18275,11594,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18275,11594,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.251449530,,,,,,,,,,18290,11595,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,18290,11595,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.101329118,,,,,,,,,,18290,11595,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18307,11596,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18307,11596,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18307,11596,1
C,13,water,protons,,,,,ppm,4.768,internal,indirect,0.251449530,,,,,,,,,,18328,11597,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.000000000,,,,,,,,,,18328,11597,1
N,15,water,protons,,,,,ppm,4.768,internal,indirect,0.101329118,,,,,,,,,,18328,11597,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18348,11599,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18348,11599,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18348,11599,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18361,116,1
C,,p-dioxane,,,,,,ppm,66.55,,,,,,,,,,,,,18374,1160,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18389,11601,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18389,11601,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18389,11601,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,18409,11607,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,18409,11607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,18430,11608,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18446,11609,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18446,11609,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18446,11609,1
C,,p-dioxane,,,,,,ppm,66.55,,,,,,,,,,,,,18460,1161,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,18473,1162,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18486,1163,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18499,1164,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18512,1165,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18525,1166,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18538,1167,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18551,1168,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18564,117,1
H,,DSS,,,,,,,0,,,,,,,,,,,,,18580,1170,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,18595,1171,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,18608,1174,1
H,,CF3CD2OD,CH2,,,,,ppm,3.88,,,,,,,1,entry_citation,,,1,entry_citation,18663,1178,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18676,1179,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18689,1181,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18689,1181,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18702,1182,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18702,1182,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,18715,1183,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,18715,1183,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,18728,1184,1
H,,H2O/HDO,,,,,,ppm,4.63,,,,,,,1,entry_citation,,,1,entry_citation,18743,1192,1
H,,H2O/HDO,,,,,,ppm,4.63,,,,,,,,,,,,,18759,1194,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18772,1198,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18785,120,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18798,1200,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,18812,12000,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,18812,12000,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,18812,12000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18826,12002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18826,12002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18826,12002,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18849,12003,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18849,12003,1
C,13,water,protons,,,,,ppm,4.631,na,indirect,0.251449530,,,,,,,,,,18869,12009,1
H,1,water,protons,,,,,ppm,4.631,internal,direct,1,,,,,,,,,,18869,12009,1
N,15,water,protons,,,,,ppm,4.631,na,indirect,0.101329118,,,,,,,,,,18869,12009,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,18882,1201,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18899,12010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18899,12010,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18899,12010,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18916,12011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18916,12011,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18916,12011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18931,12014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18931,12014,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18931,12014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,18945,12016,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18945,12016,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,18960,12018,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,18960,12018,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,18960,12018,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,18976,12019,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,18976,12019,1
H,,H2O/HDO,,,,,,ppm,4.76,,,,,,,1,entry_citation,,,1,entry_citation,18989,1202,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,19004,12020,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,19004,12020,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,19019,12021,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,19019,12021,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,19036,12022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,19036,12022,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,19036,12022,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,19052,12024,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,19052,12024,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,19052,12024,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,19069,12026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,19069,12026,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,19069,12026,1
H,,H2O/HDO,,,,,,ppm,4.76,,,,,,,1,entry_citation,,,1,entry_citation,19082,1203,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,19103,12032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,19103,12032,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,19103,12032,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,19117,12033,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,19117,12033,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,19117,12033,1
C,13,water,protons,,,,,ppm,4.767,internal,indirect,0.251449530,,,,,,,,,,19133,12035,1
H,1,water,protons,,,,,ppm,4.767,internal,direct,1,,,,,,,,,,19133,12035,1
N,15,water,protons,,,,,ppm,4.767,internal,indirect,0.101329118,,,,,,,,,,19133,12035,1
C,13,water,protons,,,,,ppm,4.767,internal,indirect,0.251449530,,,,,,,,,,19149,12036,1
H,1,water,protons,,,,,ppm,4.767,internal,indirect,1,,,,,,,,,,19149,12036,1
N,15,water,protons,,,,,ppm,4.767,internal,indirect,0.101329118,,,,,,,,,,19149,12036,1
C,13,water,protons,,,,,ppm,4.767,internal,indirect,0.251449530,,,,,,,,,,19165,12038,1
H,1,water,protons,,,,,ppm,4.767,internal,indirect,1,,,,,,,,,,19165,12038,1
N,15,water,protons,,,,,ppm,4.767,internal,indirect,0.101329118,,,,,,,,,,19165,12038,1
C,13,water,protons,,,,,ppm,4.767,internal,indirect,0.251449530,,,,,,,,,,19181,12039,1
H,1,water,protons,,,,,ppm,4.767,internal,indirect,1,,,,,,,,,,19181,12039,1
N,15,water,protons,,,,,ppm,4.767,internal,indirect,0.101329118,,,,,,,,,,19181,12039,1
H,,H2O/HDO,,,,,,ppm,4.76,,,,,,,1,entry_citation,,,1,entry_citation,19194,1204,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,19209,12040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,19209,12040,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,19209,12040,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,19223,12041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,19223,12041,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,19223,12041,1
H,,H2O/HDO,,,,,,ppm,4.76,,,,,,,1,entry_citation,,,1,entry_citation,19236,1205,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19249,1206,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19262,1207,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19275,1208,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19288,1209,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19301,121,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19314,1210,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19327,1211,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19340,1212,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19353,1213,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19366,1214,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19379,1215,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19392,1216,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19405,1217,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19418,1218,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19431,1219,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,,,,,,,19444,122,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19457,1220,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19470,1221,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19483,1222,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19496,1225,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19509,1226,1
H,,H2O/HDO,,,,,,ppm,4.73,,,,,,,1,entry_citation,,,1,entry_citation,19561,1230,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19574,126,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19587,127,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19603,131,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19616,132,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19629,1323,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19642,1324,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19655,133,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19668,1333,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19681,1334,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19694,1336,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19707,1337,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19720,1338,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19733,1339,1
H,,H2O/HDO,,,,,,ppm,4.76,,,,,,,1,entry_citation,,,1,entry_citation,19746,1343,1
H,,CD3COOH,residual CD2H,,,,,ppm,2.03,,,,,,,1,entry_citation,,,1,entry_citation,19759,1344,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19772,1346,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19785,1347,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19798,1348,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19811,1358,1
H,,H2O/HDO,,,,,,ppm,4.67,,,,,,,,,,,,,19824,136,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19837,1360,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19850,1374,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19863,1375,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19876,1376,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19889,1377,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19902,1378,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,19915,1379,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19928,1381,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,19941,139,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19955,1393,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,19969,1394,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19982,1396,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,19995,1397,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20008,1398,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20021,1399,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20034,140,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20047,1400,1
H,,CF3CD2OD,CDH,,,,,ppm,3.88,,,,,,,,,,,,,20059,1403,1
C,,dioxane,,,,,,,67.8,,,,,,,,,,,,,20075,1404,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20088,141,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20101,1413,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,20114,1414,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20128,1416,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20141,142,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20154,1439,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20168,144,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20181,1440,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20194,1441,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20207,1442,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20220,1443,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20233,1444,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,20248,1445,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,20263,1446,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20276,1447,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20289,1448,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20302,1449,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20315,1450,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20328,1451,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20341,1452,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20354,1453,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20367,1454,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20380,1455,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20393,1457,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20406,1459,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20420,146,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20433,1461,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20446,1463,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20459,1465,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20472,1467,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20485,1469,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20498,1471,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20511,1474,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20538,1476,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20551,1477,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20564,1478,1
H,,p-dioxane,,,,,,ppm,3.76,,,,,,,1,entry_citation,,,1,entry_citation,20577,1479,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20590,148,1
H,,p-dioxane,,,,,,ppm,3.76,,,,,,,1,entry_citation,,,1,entry_citation,20603,1480,1
H,,H2O/HDO,,,,,,ppm,4.76,,,,,,,1,entry_citation,,,1,entry_citation,20617,1481,1
H,,H2O/HDO,,,,,,ppm,4.76,,,,,,,1,entry_citation,,,1,entry_citation,20631,1482,1
C,,CD3OD,,,,,,ppm,49,,,,,,,,,,,,,20644,1483,1
H,,,,,,,,ppm,3.4,,,,,,,,,,,,,20644,1483,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,20657,1484,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,20657,1484,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,20670,1485,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20711,149,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20724,1494,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20737,1495,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,1,entry_citation,,,1,entry_citation,20750,1496,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,1,entry_citation,,,1,entry_citation,20763,1497,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,20776,150,1
H,,H2O/HDO,,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,20789,1500,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,20814,15000,1
H,1,H2O,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,20814,15000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,20814,15000,1
C,13,TSP,protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,none,,1,entry_citation,20834,15001,1
H,1,TSP,protons,,,,,ppm,0.0,external,direct,1,,,,1,entry_citation,none,,1,entry_citation,20834,15001,1
N,15,TSP,protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,none,,1,entry_citation,20834,15001,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,20858,15002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,20858,15002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,20858,15002,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,20880,15003,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,20880,15003,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,20880,15003,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,20896,15007,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,20896,15007,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,20896,15007,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,20910,15008,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,20910,15008,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,20910,15008,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,20924,15009,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,20924,15009,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329188,,,,1,entry_citation,,,1,entry_citation,20924,15009,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,20938,15010,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,20938,15010,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,20938,15010,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,20952,15011,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,20952,15011,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,direct,0.101329118,,,,1,entry_citation,,,1,entry_citation,20952,15011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,20966,15012,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,20966,15012,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,20966,15012,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,20989,15013,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,20989,15013,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,20989,15013,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21012,15014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21012,15014,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21012,15014,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21035,15016,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21035,15016,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21035,15016,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21051,15019,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21051,15019,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21051,15019,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,21071,15020,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,21071,15020,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,21071,15020,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,1,citations,,,1,citations,21092,15021,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,citations,,,1,citations,21092,15021,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,citations,,,1,citations,21092,15021,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21108,15023,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21108,15023,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21122,15025,1
H,1,water,protons,,,,,ppm,4.866,internal,direct,1.0,,,,1,citations,,,1,citations,21148,15026,1
H,1,water,protons,,,,,ppm,4.866,internal,direct,1.0,,,,1,citations,,,1,citations,21171,15027,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21188,15028,1
H,1,water,protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,22558,15106,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21188,15028,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21188,15028,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,21188,15028,1
H,,DMSO-d6,,,,,,ppm,2.45,,,,,,,,,,,,,21202,1503,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,21219,15031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21235,15032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21235,15032,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21235,15032,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,21251,15033,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21266,15034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21266,15034,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21266,15034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21282,15035,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21282,15035,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21297,15036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00,,,,1,entry_citation,,,1,entry_citation,21297,15036,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21297,15036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21311,15037,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21327,15038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21327,15038,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21327,15038,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,21346,15039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,21346,15039,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,21346,15039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,citations,,,1,citations,21361,15040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,citations,,,1,citations,21376,15041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,citations,,,1,citations,21391,15042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,citations,,,1,citations,21406,15043,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,citations,,,1,citations,21421,15044,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21437,15045,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21437,15045,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21437,15045,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21451,15046,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21451,15046,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21451,15046,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21468,15047,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21468,15047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21468,15047,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,21489,15048,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,21489,15048,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,21489,15048,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,21503,15049,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,21503,15049,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,21503,15049,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,citation-1,,,1,citation-1,21520,15050,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,citations,,,1,citations,21535,15051,1
H,1,water,protons,,,,,ppm,5.0,internal,direct,1.0,,,,1,citations,,,1,citations,21550,15052,1
H,1,water,protons,,,,,ppm,5.0,internal,direct,1.0,,,,1,citations,,,1,citations,21565,15053,1
H,1,water,protons,,,,,ppm,5.0,internal,direct,1.0,,,,1,citations,,,1,citations,21580,15054,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21603,15055,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,21603,15055,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21603,15055,1
C,13,methanol,methyl protons,,,,,ppm,3.3,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21628,15056,1
H,1,methanol,methyl protons,,,,,ppm,3.3,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,21628,15056,1
N,15,methanol,methyl protons,,,,,ppm,3.3,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21628,15056,1
C,13,water,protons,,,,,ppm,4.80,external,indirect,0.25144,,,,1,citations,,,1,citations,21646,15057,1
H,1,water,protons,,,,,ppm,4.80,external,direct,1.0,,,,1,citations,,,1,citations,21646,15057,1
N,15,water,protons,,,,,ppm,4.80,external,indirect,0.10133,,,,1,citations,,,1,citations,21646,15057,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21666,15058,1
C,13,water,protons,,,,,ppm,4.79,external,indirect,0.25145,,,,1,entry_citation,,,1,entry_citation,21682,15059,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21682,15059,1
N,15,water,protons,,,,,ppm,4.79,external,indirect,0.10132,,,,1,entry_citation,,,1,entry_citation,21682,15059,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,primary_citation,,,1,primary_citation,21696,15060,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,primary_citation,,,1,primary_citation,21696,15060,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,primary_citation,,,1,primary_citation,21696,15060,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21718,15061,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21718,15061,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21718,15061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,21739,15063,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,21739,15063,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,21739,15063,1
C,13,water,protons,,,,,ppm,4.821,internal,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,21760,15064,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21760,15064,1
N,15,water,protons,,,,,ppm,4.821,internal,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,21760,15064,1
C,13,water,protons,,,,,ppm,4.821,internal,indirect,0.25144952,,,,,,,,,,21787,15065,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1.0,,,,,,,,,,21787,15065,1
N,15,water,protons,,,,,ppm,4.821,internal,indirect,0.10132905,,,,,,,,,,21787,15065,1
C,13,water,protons,,,,,ppm,4.821,internal,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,21812,15066,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21812,15066,1
N,15,water,protons,,,,,ppm,4.821,internal,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,21812,15066,1
C,13,water,protons,,,,,ppm,4.821,internal,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,21837,15067,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21837,15067,1
N,15,water,protons,,,,,ppm,4.821,internal,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,21837,15067,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,citations,,,1,citations,21857,15068,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,citations,,,1,citations,21874,15069,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation-1,,,1,citation-1,21889,15070,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation-1,,,1,citation-1,21889,15070,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation-1,,,1,citation-1,21889,15070,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21904,15071,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21904,15071,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21904,15071,1
C,13,TSP,methylene protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,21923,15072,1
H,1,TSP,methylene protons,,,,,ppm,0.00,external,direct,1.000000000,,,,1,citation_1,,,1,citation_1,21923,15072,1
N,15,TSP,methylene protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,21923,15072,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21940,15073,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,21940,15073,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21940,15073,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,21959,15074,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,21959,15074,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,21959,15074,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,21977,15075,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,21977,15075,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,21992,15076,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,21992,15076,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,21992,15076,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,22007,15077,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,22007,15077,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,22007,15077,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,22022,15078,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,22022,15078,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,22022,15078,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22047,15079,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,22047,15079,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,22047,15079,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,22070,15080,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,22070,15080,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22092,15081,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,22092,15081,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22106,15082,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,22106,15082,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,22106,15082,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,22131,15083,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,1,citations,,,1,citations,22131,15083,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,22131,15083,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,22156,15084,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,22156,15084,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,22156,15084,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,1,Rp4601_citation,,,1,Rp4601_citation,22177,15085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,Rp4601_citation,,,1,Rp4601_citation,22177,15085,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,1,Rp4601_citation,,,1,Rp4601_citation,22177,15085,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22196,15086,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,22196,15086,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,22196,15086,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,citations,,,1,citations,22213,15087,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,external,direct,1.0,,,,1,citations,,,1,citations,22213,15087,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22231,15088,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,22231,15088,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,22231,15088,1
C,13,StR65,carbon,,,,,ppm,0,external,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,22259,15089,1
H,1,StR65,protons,,,,,ppm,0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,22259,15089,1
N,15,StR65,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,22259,15089,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22285,15090,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22285,15090,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22285,15090,1
C,13,acetate,methyl carbon,,,,,ppm,25.85,external,indirect,1,,,,1,entry_citation,,,1,entry_citation,22303,15091,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,22303,15091,1
N,15,urea,nitrogen,,,,,ppm,78.98,external,indirect,1,,,,1,entry_citation,,,1,entry_citation,22303,15091,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22318,15092,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.00,,,,1,entry_citation,,,1,entry_citation,22318,15092,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,22318,15092,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22334,15093,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,22334,15093,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,22334,15093,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,22334,15093,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,22353,15094,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,22353,15094,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,22353,15094,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,22371,15095,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,22388,15097,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,22388,15097,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,22388,15097,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22407,15098,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22407,15098,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22407,15098,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,22421,15099,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,22421,15099,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,22434,151,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22457,15100,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22457,15100,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22457,15100,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,22472,15101,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,22472,15101,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,22472,15101,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22488,15102,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22488,15102,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22488,15102,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,22506,15103,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,22506,15103,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,22524,15104,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,22524,15104,1
C,13,13C-glucose,carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,22541,15105,1
H,1,water,protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,22541,15105,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,na,indirect,0.10132918,,,,,,,,,,22541,15105,1
C,13,13C-glucose,carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,22558,15106,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,na,indirect,0.10132918,,,,,,,,,,22558,15106,1
H,1,water,protons,,,,,ppm,5.09,internal,direct,1,,,,,,,,,,22575,15107,1
H,1,H2O,protons,,,,,ppm,4.427,,,1.0,,,,,,,,,,22590,15108,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22608,15109,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22608,15109,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22608,15109,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22630,15110,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22630,15110,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22630,15110,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22647,15111,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22647,15111,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22647,15111,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22669,15112,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22669,15112,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22669,15112,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,22695,15113,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22695,15113,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,22714,15114,1
H,1,water,protons,,,,,ppm,4.706,internal,direct,1.0,,,,,,,,,,22714,15114,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,22714,15114,1
H,1,water,protons,,,,,ppm,4.9,internal,direct,1.0,,,,,,,,,,22732,15115,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,22751,15116,1
H,1,water,protons,,,,,ppm,4.706,internal,direct,1.0,,,,,,,,,,22751,15116,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,22751,15116,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,22770,15117,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,22770,15117,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,22770,15117,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22785,15118,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22815,15120,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22815,15120,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22815,15120,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,22829,15121,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,22829,15121,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,22829,15121,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,22849,15122,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,22849,15122,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22865,15123,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22865,15123,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22865,15123,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,22882,15124,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,22900,15125,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22900,15125,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,22900,15125,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,22919,15126,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,22919,15126,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,22919,15126,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,22939,15127,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,22939,15127,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,22939,15127,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,22968,15128,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,22968,15128,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,22968,15128,1
C,13,water,protons,,,,,ppm,4.81,internal,indirect,0.101329118,,,,,,,,,,22985,15129,1
H,1,water,protons,,,,,ppm,4.81,internal,direct,1.0,,,,,,,,,,22985,15129,1
N,15,water,protons,,,,,ppm,4.81,internal,indirect,0.251449530,,,,,,,,,,22985,15129,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,23000,15130,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,23000,15130,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23017,15131,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,23017,15131,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23017,15131,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,23035,15132,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,23035,15132,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,23035,15132,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23054,15133,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23054,15133,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23054,15133,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23074,15134,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23074,15134,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23074,15134,1
C,13,water,protons,,,,,ppm,4.77,,indirect,0.251449530,,,,,,,,,,23090,15135,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,23090,15135,1
N,15,water,protons,,,,,ppm,4.77,,indirect,0.101329118,,,,,,,,,,23090,15135,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,23106,15136,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,23106,15136,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,23106,15136,1
H,1,TSP,methyl carbon,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,23123,15137,1
N,15,NH3,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,23123,15137,1
C,13,Adamantane,methylene carbon,,,,,ppm,40.48,external,direct,1,insert at center of experimental sample tube,cylindrical,,,,,,,,23141,15138,1
N,15,NH4Cl,nitrogen,,,,,ppm,39.27,external,direct,1,insert at center of experimental sample tube,cylindrical,,,,,,,,23141,15138,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23174,15139,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23174,15139,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23174,15139,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23194,15140,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,23208,15141,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,23208,15141,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,23208,15141,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,23225,15142,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,23225,15142,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,23225,15142,1
H,1,H2O,protons,,,,,ppm,4.80,internal,direct,1.0,internal,,,,,,,,,23244,15143,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23307,15145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23324,15148,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23324,15148,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23324,15148,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23339,15149,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23339,15149,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23339,15149,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,23352,1515,1
C,13,water,protons,,,,,ppm,4.661,internal,indirect,0.251449530,,,,,,,,,,23374,15150,1
H,1,water,protons,,,,,ppm,4.661,internal,direct,1.0,,,,,,,,,,23374,15150,1
N,15,water,protons,,,,,ppm,4.661,internal,indirect,0.101329118,,,,,,,,,,23374,15150,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,23392,15152,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,23392,15152,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,23392,15152,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23412,15153,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23412,15153,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23412,15153,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23443,15154,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,23443,15154,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23443,15154,1
C,13,adamantane,alkane (CH) carbon,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,Magic Angle,,,n/a,0.0,,,23464,15156,1
N,15,adamantane,alkane (CH) carbon,,,,,ppm,40.48,external,indirect,,separate tube (no insert) similar to the experimental sample tube,cylindrical,Magic Angle,,,n/a,0.0,,,23464,15156,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23465,15156,2
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,23465,15156,2
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23465,15156,2
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23486,15157,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23486,15157,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23511,15158,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23511,15158,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23511,15158,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23529,15159,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,23545,1516,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23568,15160,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23568,15160,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23568,15160,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,23584,15161,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,23584,15161,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132918,,,,,,,,,,23584,15161,1
C,13,TSP,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,23601,15162,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,23601,15162,1
N,15,TSP,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,23601,15162,1
C,13,DSS,methyl carbons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,23622,15163,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,23622,15163,1
N,15,DSS,nitrogen,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,23622,15163,1
C,13,dioxane,methylene carbons,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,23637,15164,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23637,15164,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23637,15164,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,23653,15166,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1,,,,,,,,,,23653,15166,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,116.3,external,direct,1,,,,,,,,,,23653,15166,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23697,15167,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23697,15167,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23697,15167,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,23719,15168,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,23719,15168,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,23719,15168,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1,,,,,,,,,,23737,15169,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,23750,1517,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,23767,15170,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,23767,15170,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,23767,15170,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,23784,15171,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23807,15172,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23807,15172,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23807,15172,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,23825,15173,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,23825,15173,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132918,,,,,,,,,,23825,15173,1
C,13,C,alpha-carbon,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,23841,15174,1
H,1,H,protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,23841,15174,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,23859,15175,1
N,15,,,,,,,ppm,0,internal,indirect,,,,,,,,,,,23859,15175,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23876,15176,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23876,15176,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23876,15176,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23895,15177,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23895,15177,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23895,15177,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,23910,15178,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,23910,15178,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,23910,15178,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23926,15179,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23926,15179,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23926,15179,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,23940,1518,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,23956,15180,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,23956,15180,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,23956,15180,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24098,15189,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,24098,15189,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24098,15189,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,24112,1519,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24137,15190,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,24137,15190,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24137,15190,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24172,15192,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24172,15192,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24172,15192,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24188,15193,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,24188,15193,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24188,15193,1
C,13,water,protons,,,,,ppm,4.808,internal,indirect,0.251449530,,,,,,,,,,24202,15194,1
H,1,water,protons,,,,,ppm,4.808,internal,direct,1,,,,,,,,,,24202,15194,1
N,15,water,nitrogen,,,,,ppm,4.808,internal,indirect,0.101329118,,,,,,,,,,24202,15194,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449528,,,,,,,,,,24221,15195,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24221,15195,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24221,15195,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,24237,15196,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,24251,15197,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,24251,15197,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,24251,15197,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24268,15198,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24268,15198,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24268,15198,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,24282,15199,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,24282,15199,1
N,15,TSP,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,24282,15199,1
H,,p-dioxane,,,,,,ppm,3.73,,,,,,,1,entry_citation,,,1,entry_citation,24295,1520,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24314,15200,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24314,15200,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24314,15200,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24328,15201,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24328,15201,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24328,15201,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,24349,15202,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,24349,15202,1
N,15,TSP,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,24349,15202,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24382,15203,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24382,15203,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24382,15203,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,24400,15204,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,24400,15204,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,24400,15204,1
C,13,DSS,protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,24417,15206,1
H,1,DSS,protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,24417,15206,1
N,15,DSS,protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,24417,15206,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,none,,,,24438,15207,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,none,,,,24438,15207,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,none,,,,24438,15207,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24463,15208,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24463,15208,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24463,15208,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24485,15209,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24485,15209,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24485,15209,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24507,15210,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24507,15210,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24507,15210,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24527,15211,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24527,15211,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24527,15211,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24543,15212,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24543,15212,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24543,15212,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24558,15213,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24558,15213,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24558,15213,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,24572,15214,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,24572,15214,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,24572,15214,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24593,15215,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24593,15215,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24593,15215,1
C,13,DSS,protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,24626,15217,1
H,1,DSS,protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,24626,15217,1
N,15,DSS,protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,24626,15217,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24644,15218,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24644,15218,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24665,15219,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24665,15219,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24665,15219,1
H,1,water,protons,,,,,ppm,4.8,,direct,1.0,,,,,,,,,,24682,15221,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,24699,15222,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,24699,15222,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,24699,15222,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24716,15223,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24736,15224,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24752,15225,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24752,15225,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24752,15225,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,24766,15226,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,24766,15226,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24785,15227,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,24785,15227,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24803,15228,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,24820,15229,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24848,15230,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24848,15230,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24848,15230,1
C,13,water,protons,,,,,ppm,4.65,na,indirect,0.251449530,,,,,,,,,,24869,15231,1
H,1,water,protons,,,,,ppm,4.65,na,direct,1.0,,,,,,,,,,24869,15231,1
N,15,water,protons,,,,,ppm,4.65,na,indirect,0.101329118,,,,,,,,,,24869,15231,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,24884,15232,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24884,15232,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24884,15232,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,24900,15233,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24900,15233,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.00,,,,,,,,,,24916,15234,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24916,15234,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,24931,15235,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,24931,15235,1
H,1,water,protons,,,,,ppm,4.761,internal,direct,1.00,,,,,,,,,,24947,15236,1
N,15,water,protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,24947,15236,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,24963,15237,1
N,15,water,protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,24963,15237,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,24982,15238,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25000,15239,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,25020,15240,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,25020,15240,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,25020,15240,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,25038,15241,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25056,15242,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,25056,15242,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25056,15242,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25074,15243,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25074,15243,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25074,15243,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,25090,15244,1
N,15,water,protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,25090,15244,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25104,15245,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25118,15246,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25118,15246,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25118,15246,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,25118,15246,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,other,,,,,,,,,25135,15247,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,25135,15247,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,other,,,,,,,,,25135,15247,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25151,15248,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25151,15248,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25151,15248,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25167,15249,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25167,15249,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25167,15249,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25183,15250,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25183,15250,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25183,15250,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25203,15252,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25203,15252,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25203,15252,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25221,15253,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25221,15253,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25221,15253,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25278,15256,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25278,15256,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25278,15256,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25302,15257,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25302,15257,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25302,15257,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25350,15258,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,25350,15258,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25350,15258,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25378,15259,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25378,15259,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25399,15261,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25399,15261,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,25417,15263,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,25417,15263,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,25417,15263,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25437,15264,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25437,15264,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25437,15264,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25458,15265,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25458,15265,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25458,15265,1
C,13,water,protons,,,,,ppm,4.958,internal,indirect,0.101329118,,,,,,,,,,25476,15266,1
H,1,water,protons,,,,,ppm,4.958,internal,direct,1.0,,,,,,,,,,25476,15266,1
N,15,water,protons,,,,,ppm,4.958,internal,indirect,0.251449530,,,,,,,,,,25476,15266,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,25492,15267,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25514,15268,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25514,15268,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25514,15268,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25534,15269,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25534,15269,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25534,15269,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25560,15270,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25560,15270,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25560,15270,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,25583,15271,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,25583,15271,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,25583,15271,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,25604,15272,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25624,15273,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,25641,15274,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,25641,15274,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,25641,15274,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,25661,15275,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,temperature,,,,25661,15275,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,25661,15275,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25680,15276,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,25680,15276,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25680,15276,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,25702,15277,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1.0,,,,,,,,,,25702,15277,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,25702,15277,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,25725,15278,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,25725,15278,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,25725,15278,1
C,13,water,protons,,,,,ppm,4.778,internal,indirect,0.251449530,,,,,,,,,,25743,15279,1
H,1,water,protons,,,,,ppm,4.778,internal,direct,1.000000000,,,,,,,,,,25743,15279,1
N,15,water,protons,,,,,ppm,4.778,internal,indirect,0.101329118,,,,,,,,,,25743,15279,1
C,13,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,25758,15280,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,25758,15280,1
N,15,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,25758,15280,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,25799,15281,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,25799,15281,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,25799,15281,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,25817,15282,1
C,13,adamantane,CH carbon,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,n/a,0,,,25833,15283,1
N,15,adamantane,CH carbon,,,,,ppm,40.48,external,indirect,0.402979946,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,n/a,0,,,25833,15283,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,25849,15284,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,25864,15285,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25879,15286,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,25894,15287,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,25915,15288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25915,15288,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25915,15288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,25936,15289,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,25936,15289,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25146,,,,,,,,,,25960,15290,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,,,,,,,25960,15290,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10134,,,,,,,,,,25960,15290,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,25975,15291,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,25990,15292,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,26006,15293,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,26023,15294,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26043,15295,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26043,15295,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26043,15295,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,26061,15296,1
H,1,water,protons,,,,,ppm,4.66,internal,direct,1,,,,,,,,,,26061,15296,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,118,external,direct,1,,,,,,,,,,26061,15296,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26076,15298,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26076,15298,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26076,15298,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,26091,15299,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26112,15300,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26112,15300,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26112,15300,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26139,15301,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26139,15301,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,26155,15302,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26172,15303,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26172,15303,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26172,15303,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,26189,15304,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,26189,15304,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,26189,15304,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,26206,15305,1
C,13,water,protons,,,,,ppm,4.772925,internal,direct,0.251449530,,,,,,,,,,26226,15306,1
H,1,water,protons,,,,,ppm,4.772925,internal,direct,1,,,,,,,,,,26226,15306,1
N,15,water,protons,,,,,ppm,4.772925,internal,direct,0.101329118,,,,,,,,,,26226,15306,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26242,15309,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26261,15312,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.000000000,,,,,,,,,,26261,15312,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26261,15312,1
C,13,acetate,methyl carbon,,,,,ppm,0.00,external,indirect,1.0,,,,,,,,,,26277,15313,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,26277,15313,1
N,15,urea,nitrogen,,,,,ppm,0.00,external,indirect,1.0,,,,,,,,,,26277,15313,1
C,13,ubiquitin,methyl carbon,,,,,ppm,56.0,external,direct,1,,,,,,,,,,26297,15314,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,26297,15314,1
N,15,ubiquitin,nitrogen,,,,,ppm,119.0,external,direct,1,,,,,,,,,,26297,15314,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,26316,15315,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,26316,15315,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,26316,15315,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26330,15316,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26330,15316,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26330,15316,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,26379,15317,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,26379,15317,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,26379,15317,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26399,15318,1
H,1,water,protons,,,,,ppm,4.776,na,direct,1,,,,,,,,,,26420,15319,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26441,15320,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26441,15320,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26441,15320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26457,15322,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26457,15322,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26457,15322,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26472,15323,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26493,15324,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26493,15324,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26493,15324,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26509,15325,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26509,15325,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26509,15325,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,No,0,,,26525,15326,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,No,0,,,26525,15326,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,No,0,,,26525,15326,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26543,15327,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26543,15327,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26543,15327,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,26568,15329,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,26568,15329,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,26568,15329,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,1,,,,,,,,,,26584,15330,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,26584,15330,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,26584,15330,1
H,1,water,protons,,,,,ppm,4.776,na,direct,1,,,,,,,,,,26607,15331,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144,,,,,,,,,,26623,15332,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,26623,15332,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10133,,,,,,,,,,26623,15332,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26644,15333,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26644,15333,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26644,15333,1
C,13,acetate,methyl carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,26668,15334,1
H,1,water,protons,,,,,ppm,0,na,direct,1,,,,,,,,,,26668,15334,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,26668,15334,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26715,15335,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,,,,,,,,26715,15335,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26715,15335,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26732,15336,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26732,15336,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26732,15336,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,other,,,,,,,,,26757,15337,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,26757,15337,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,other,,,,,,,,,26757,15337,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26798,15338,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26798,15338,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26798,15338,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,26840,15339,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.0,,,,,,,,,,26840,15339,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,26840,15339,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26857,15340,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26857,15340,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26857,15340,1
C,13,DSS,protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,26898,15341,1
H,1,DSS,protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,26898,15341,1
N,15,DSS,protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,26898,15341,1
H,1,water,protons,,,,,ppm,4.776,na,direct,1,,,,,,,,,,26921,15342,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26949,15343,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,26949,15343,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26949,15343,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,26970,15344,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,26970,15344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,26970,15344,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,1,,,,,,,,,,26989,15345,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,26989,15345,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,1,,,,,,,,,,26989,15345,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27009,15346,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27009,15346,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27009,15346,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27030,15347,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27030,15347,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27030,15347,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,27054,15348,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,27054,15348,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,27054,15348,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27073,15349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27073,15349,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27073,15349,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27104,15350,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27104,15350,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27104,15350,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27128,15351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27128,15351,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27128,15351,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27150,15352,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27150,15352,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27150,15352,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27175,15353,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27175,15353,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27175,15353,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27195,15354,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27195,15354,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27195,15354,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144,,,,,,,,,,27213,15355,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,27213,15355,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10133,,,,,,,,,,27213,15355,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27240,15356,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,27240,15356,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27240,15356,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27257,15357,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27257,15357,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27257,15357,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,27273,15358,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,27273,15358,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,27273,15358,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27289,15359,1
H,1,water,protons,,,,,ppm,,,direct,1,,,,,,,,,,27307,15360,1
P,31,trimethyl phosphate,phosphorus,,,,,ppm,0.0,,direct,1,,,,,,,,,,27307,15360,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27336,15361,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27336,15361,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27336,15361,1
H,1,water,protons,,,,,ppm,4.776,na,direct,1,,,,,,,,,,27358,15362,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27379,15363,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,27398,15364,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,27398,15364,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,27398,15364,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27424,15366,1
H,1,water,methyl protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,27424,15366,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27424,15366,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27439,15367,1
H,1,water,protons,,,,,ppm,4.766,internal,direct,1.000000000,,,,,,,,,,27439,15367,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27439,15367,1
C,13,water,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27454,15368,1
H,1,water,methyl protons,,,,,ppm,4.766,internal,direct,1.000000000,,,,,,,,,,27454,15368,1
N,15,water,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27454,15368,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27468,15369,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27468,15369,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27468,15369,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27487,15370,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27487,15370,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27487,15370,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27506,15371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27506,15371,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27506,15371,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27528,15372,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00,,,,,,,,,,27528,15372,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27528,15372,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27555,15373,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27555,15373,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27555,15373,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,27577,15374,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,27577,15374,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,27602,15375,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,27602,15375,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,27622,15376,1
P,31,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.404808636,,,,,,,,,,27622,15376,1
C,13,water,protons,,,,,ppm,4.799,internal,indirect,0.2514,,,,,,,,,,27644,15377,1
H,1,water,protons,,,,,ppm,4.799,internal,direct,1,,,,,,,,,,27644,15377,1
N,15,water,protons,,,,,ppm,4.799,internal,indirect,0.1013,,,,,,,,,,27644,15377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27662,15378,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27662,15378,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27662,15378,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,27677,15379,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,27677,15379,1
H,,DMSO-d6,residual CD2H,,,,,ppm,2.5,,,,,,,1,entry_citation,,,1,entry_citation,27690,1538,1
C,13,adamantane,alkane carbon,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,magic angle,,,,,,,27706,15380,1
N,15,adamantane,alkane carbon,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,magic angle,,,,,,,27706,15380,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27729,15381,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27729,15381,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27729,15381,1
H,1,huwentoxin-xi,protons,,,,,ppm,0.01,external,direct,1.0,,,,,,,,,,27746,15382,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27765,15383,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27765,15383,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27765,15383,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,27787,15384,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27787,15384,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,27787,15384,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,27805,15385,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,27805,15385,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,27805,15385,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,27843,15386,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28321,15411,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,27843,15386,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,other,cylindrical,parallel,,,,,,,27843,15386,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,27861,15388,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,27861,15388,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,27861,15388,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,27882,15389,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1,,,,,,,,,,27882,15389,1
H,,DMSO-d6,residual CD2H,,,,,ppm,2.5,,,,,,,1,entry_citation,,,1,entry_citation,27895,1539,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27912,15390,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27930,15391,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,27948,15392,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,27981,15393,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,27981,15393,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132918,,,,,,,,,,27981,15393,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,1,,,,,,,,,,27997,15394,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,27997,15394,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,1,,,,,,,,,,27997,15394,1
C,13,dioxane,methyl carbon,,,,,ppm,69.3,external,direct,1.0,,,,,,,,,,28017,15395,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28017,15395,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28017,15395,1
C,13,dioxane,methyl carbon,,,,,ppm,69.3,external,direct,1.0,,,,,,,,,,28037,15396,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28037,15396,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28037,15396,1
C,13,water,protons,,,,,ppm,4.715615,internal,indirect,0.251449530,,,,,,,,,,28053,15397,1
H,1,water,protons,,,,,ppm,4.715615,internal,direct,1,,,,,,,,,,28053,15397,1
N,15,water,protons,,,,,ppm,4.715615,internal,indirect,0.101329118,,,,,,,,,,28053,15397,1
C,13,water,protons,,,,,ppm,4.715615,internal,indirect,0.251449530,,,,,,,,,,28069,15398,1
H,1,water,protons,,,,,ppm,4.715615,internal,direct,1,,,,,,,,,,28069,15398,1
N,15,water,protons,,,,,ppm,4.715615,internal,indirect,0.101329118,,,,,,,,,,28069,15398,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449529,,,,,,,,,,28084,15399,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,28084,15399,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,28084,15399,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,28103,15400,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,28103,15400,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28103,15400,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,1,citations,,,1,citations,28122,15401,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,citations,,,1,citations,28122,15401,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,1,citations,,,1,citations,28122,15401,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,1,citations,,,1,citations,28143,15402,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,citations,,,1,citations,28143,15402,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,1,citations,,,1,citations,28143,15402,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28157,15403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,28157,15403,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.0,na,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,28157,15403,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,28175,15404,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28175,15404,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28175,15404,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28192,15405,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,28210,15406,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,28210,15406,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,28210,15406,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28229,15407,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28229,15407,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28229,15407,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28250,15408,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28250,15408,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28250,15408,1
C,13,water,protons,,,,,ppm,4.858,internal,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,28269,15409,1
H,1,water,protons,,,,,ppm,4.858,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,28269,15409,1
N,15,water,protons,,,,,ppm,4.858,internal,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,28269,15409,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,28282,1541,1
C,13,water,protons,,,,,ppm,4.7547,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28298,15410,1
H,1,water,protons,,,,,ppm,4.7547,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,28298,15410,1
N,15,water,protons,,,,,ppm,4.7547,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28298,15410,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,28321,15411,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28321,15411,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,28335,15412,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,28335,15412,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,28335,15412,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,28349,15413,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28366,15415,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28366,15415,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28366,15415,1
C,13,water,protons,,,,,ppm,4.76,n/a,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28396,15417,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,28396,15417,1
N,15,water,protons,,,,,ppm,4.76,n/a,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28396,15417,1
C,13,water,protons,,,,,ppm,4.582,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28420,15418,1
H,1,water,protons,,,,,ppm,4.582,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,28420,15418,1
N,15,water,protons,,,,,ppm,4.582,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28420,15418,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,28439,15419,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28439,15419,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28439,15419,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,28456,1542,1
H,1,TSP,protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,28472,15420,1
N,15,TSP,nitrogen,,,,,ppm,24.93,external,direct,1.0,,,,,,,,,,28472,15420,1
H,1,TSP,protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,28488,15421,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.93,external,direct,1.0,,,,,,,,,,28488,15421,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28507,15422,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28507,15422,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28507,15422,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,28522,15423,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,28522,15423,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,28522,15423,1
C,13,water,protons,,,,,ppm,0,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28536,15424,1
H,1,water,protons,,,,,ppm,0,na,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,28536,15424,1
N,15,water,protons,,,,,ppm,0,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28536,15424,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28555,15425,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28555,15425,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28555,15425,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28570,15426,1
H,1,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,1,entry_citation,,,1,entry_citation,28570,15426,1
N,15,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.10132918,,,,1,entry_citation,,,1,entry_citation,28570,15426,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28589,15427,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,28589,15427,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28589,15427,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28613,15429,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28613,15429,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28613,15429,1
H,,DMSO-d6,residual CD2H,,,,,ppm,2.5,,,,,,,1,entry_citation,,,1,entry_citation,28626,1543,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28647,15430,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28647,15430,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28647,15430,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,28661,15431,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,28661,15431,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132900,,,,1,entry_citation,,,1,entry_citation,28661,15431,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,28688,15433,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28688,15433,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28688,15433,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,28714,15434,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28714,15434,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28714,15434,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28735,15435,1
H,1,water,protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28735,15435,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28735,15435,1
H,1,water,protons,,,,,ppm,4.766,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28749,15436,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,28772,15437,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28772,15437,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,28772,15437,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,28793,15438,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,28793,15438,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,28793,15438,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,BMC,,,1,BMC,28812,15439,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,BMC,,,1,BMC,28812,15439,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,BMC,,,1,BMC,28812,15439,1
H,,DMSO-d6,residual CD2H,,,,,ppm,2.5,,,,,,,1,entry_citation,,,1,entry_citation,28825,1544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,28840,15440,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,28840,15440,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,28840,15440,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28856,15441,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,28856,15441,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28856,15441,1
C,13,TMS,methyl carbon,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,28875,15442,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,28875,15442,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,28875,15442,1
H,1,DMSO-d6,protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,28894,15443,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,citations,,,1,citations,28916,15444,1
C,13,water,protons,,,,,ppm,4.65,internal,direct,0.2514497,,,,1,entry_citation,,,1,entry_citation,28957,15446,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,28957,15446,1
N,15,water,protons,,,,,ppm,4.65,internal,direct,0.1013291,,,,1,entry_citation,,,1,entry_citation,28957,15446,1
H,1,water,protons,,,,,ppm,4.766,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,28976,15447,1
N,15,water,protons,,,,,ppm,4.766,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28976,15447,1
C,13,water,protons,,,,,ppm,0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,28991,15448,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,28991,15448,1
N,15,water,protons,,,,,ppm,0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,28991,15448,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citations,,,1,citations,29009,15449,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citations,,,1,citations,29009,15449,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citations,,,1,citations,29009,15449,1
H,,DMSO-d6,residual CD2H,,,,,ppm,2.5,,,,,,,1,entry_citation,,,1,entry_citation,29022,1545,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,29045,15450,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,1,entry_citation,,,1,entry_citation,29068,15451,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29068,15451,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29068,15451,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29091,15452,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29091,15452,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29091,15452,1
H,1,water,protons,,,,,ppm,4.75,internal,indirect,1,,,,1,FBP28WW2-PPLIPPPP_complex,,,1,FBP28WW2-PPLIPPPP_complex,29113,15453,1
H,1,DSS,methly protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,29138,15454,1
H,1,DSS,methly protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,29163,15455,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29188,15456,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29188,15456,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29188,15456,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29215,15457,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29215,15457,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29215,15457,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29236,15458,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29236,15458,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29236,15458,1
C,13,water,carbons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29250,15459,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,29250,15459,1
N,15,water,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29250,15459,1
H,,DMSO-d6,residual CD2H,,,,,ppm,2.5,,,,,,,1,entry_citation,,,1,entry_citation,29263,1546,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29277,15460,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,29294,15461,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,29294,15461,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,29294,15461,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29313,15462,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29313,15462,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29313,15462,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.000,,,,1,citations,,,1,citations,29334,15463,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29349,15464,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29368,15465,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29368,15465,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29368,15465,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29387,15466,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29387,15466,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29387,15466,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29409,15467,1
F,19,trichlorofluoromethane,methyl fluorine,,,,,ppm,0.0,n/a,indirect,0.940940080,,,,1,entry_citation,,,1,entry_citation,29409,15467,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29409,15467,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29409,15467,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29428,15468,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29428,15468,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29428,15468,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,29428,15468,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29448,15469,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29448,15469,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29448,15469,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29476,15470,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29476,15470,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29476,15470,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29499,15471,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29499,15471,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29499,15471,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29514,15473,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29514,15473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29514,15473,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29530,15474,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29530,15474,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29530,15474,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,29550,15475,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,29550,15475,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,29550,15475,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29576,15476,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,29576,15476,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29576,15476,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29599,15477,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,29599,15477,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29599,15477,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29619,15478,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29619,15478,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29634,15479,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29634,15479,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29634,15479,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,29648,15480,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,29664,15481,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,29664,15481,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,29705,15482,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,29705,15482,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,29705,15482,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,29724,15483,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,29724,15483,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,29724,15483,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,29744,15485,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,29761,15486,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,29761,15486,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,29761,15486,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,29784,15487,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,other,,parallel,,,,,,,29806,15488,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.2514495,other,,parallel,,,,,,,29806,15488,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,other,,parallel,,,,,,,29806,15488,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29830,15489,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29830,15489,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29830,15489,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29846,15490,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29846,15490,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29846,15490,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29870,15491,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,29870,15491,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29870,15491,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29889,15492,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29889,15492,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29889,15492,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29906,15493,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29906,15493,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29906,15493,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29923,15494,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29923,15494,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29923,15494,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29940,15495,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29940,15495,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29940,15495,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29957,15496,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29957,15496,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29957,15496,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29973,15497,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29973,15497,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29973,15497,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,29988,15498,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,29988,15498,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,29988,15498,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30007,15499,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30026,15500,1
C,13,water,protons,,,,,ppm,4.600,internal,indirect,0.251449530,,,,,,,,,,30046,15501,1
H,1,water,protons,,,,,ppm,4.600,internal,direct,1.00,,,,,,,,,,30046,15501,1
N,15,water,protons,,,,,ppm,4.600,internal,indirect,0.101329118,,,,,,,,,,30046,15501,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30061,15502,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30061,15502,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30076,15503,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30076,15503,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30076,15503,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,30093,15504,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,30093,15504,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,30093,15504,1
C,13,TSP,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,30111,15505,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,30111,15505,1
N,15,TSP,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,30111,15505,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30125,15506,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30125,15506,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30125,15506,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30145,15507,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30145,15507,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30145,15507,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,30159,15508,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,30159,15508,1
C,13,acetate,methyl carbon,,,,,ppm,,,indirect,1.0,,,,,,,,,,30175,15509,1
H,1,water,protons,,,,,ppm,,internal,direct,1.0,,,,,,,,,,30175,15509,1
N,15,ammonium chloride,nitrogen,,,,,ppm,,,indirect,1.0,,,,,,,,,,30175,15509,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,30188,1551,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30212,15510,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30212,15510,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30212,15510,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,30230,15511,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,30230,15511,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,30230,15511,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30245,15512,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,30245,15512,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30245,15512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30260,15513,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30260,15513,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30260,15513,1
C,13,DSS,methylene protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,30275,15514,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,30275,15514,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,30275,15514,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30299,15515,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,30316,15517,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,30316,15517,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,30316,15517,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,30333,15518,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,30333,15518,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,30333,15518,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,30349,15519,1
H,1,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,30349,15519,1
N,15,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,30349,15519,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,30362,1552,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30382,15520,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30382,15520,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30382,15520,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,30400,15521,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,106.7,na,indirect,1.0,,,,,,,,,,30400,15521,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30418,15522,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30434,15524,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30434,15524,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,30463,15525,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,30463,15525,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,30463,15525,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30484,15527,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30484,15527,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,30484,15527,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,30519,15528,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,30519,15528,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,30519,15528,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30537,15529,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30537,15529,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30537,15529,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,30552,1553,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30572,15530,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30572,15530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30572,15530,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30590,15531,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30590,15531,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30590,15531,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30608,15532,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30608,15532,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30608,15532,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30628,15533,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30628,15533,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30628,15533,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,30644,15534,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,30644,15534,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,30644,15534,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30661,15535,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30661,15535,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30661,15535,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30680,15536,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30680,15536,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30680,15536,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30699,15537,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30699,15537,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30699,15537,1
C,13,DSS,methyl carbon,,,,,ppm,90,internal,indirect,1.0,,,,,,,,,,30716,15538,1
H,1,DSS,methyl  protons,,,,,ppm,4.7,internal,indirect,1.0,,,,,,,,,,30716,15538,1
N,15,DSS,nitrogen,,,,,ppm,140,internal,indirect,1.0,,,,,,,,,,30716,15538,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30739,15539,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30739,15539,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30739,15539,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,30756,15540,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00,,,,,,,,,,30756,15540,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,30756,15540,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,30782,15541,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,temperature,,,,30782,15541,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,30782,15541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30815,15542,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30815,15542,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30815,15542,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30833,15543,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30833,15543,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30833,15543,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30847,15544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30868,15545,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,30868,15545,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30868,15545,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30885,15546,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30885,15546,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30907,15547,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30907,15547,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30907,15547,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30923,15548,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30923,15548,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30923,15548,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30941,15549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30941,15549,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30941,15549,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,30960,15550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30960,15550,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30960,15550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30974,15551,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30974,15551,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,30993,15552,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,30993,15552,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,31015,15553,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,31015,15553,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,31015,15553,1
C,13,water,protons,,,,,ppm,4.803,internal,indirect,0.251449530,,,,,,,,,,31043,15554,1
H,1,water,protons,,,,,ppm,4.803,internal,direct,1,,,,,,,,,,31043,15554,1
N,15,water,protons,,,,,ppm,4.803,internal,indirect,0.1011329118,,,,,,,,,,31043,15554,1
H,1,TSP,methyl protons,0.05,%,90% H2O/10% D2O,,ppm,0.0,internal,direct,1.0,,,,,,,,,,31057,15555,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31071,15557,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31071,15557,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31071,15557,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31085,15558,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31085,15558,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31085,15558,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,none,none,none,,,none,0,,,31101,15559,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,none,none,none,,,none,0,,,31101,15559,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31118,15560,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,other,,,,,,,,31118,15560,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31118,15560,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,31134,15561,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,31134,15561,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,31134,15561,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31164,15562,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31164,15562,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31164,15562,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31189,15563,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31189,15563,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31189,15563,1
C,13,water,protons,,,,,ppm,4.66,internal,indirect,0.251449530,,,,,,,,,,31205,15564,1
H,1,water,protons,,,,,ppm,4.66,internal,direct,1.000000000,,,,,,,,,,31205,15564,1
N,15,water,protons,,,,,ppm,4.66,internal,indirect,0.101329118,,,,,,,,,,31205,15564,1
H,1,dioxane,methylene protons,,,,,ppm,3.750,internal,direct,1,,,,,,,,,,31229,15565,1
C,13,DSS,methly protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,31252,15566,1
H,1,DSS,methly protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,31252,15566,1
N,15,DSS,methly protons,,,,,ppm,0,internal,indirect,0.101399118,,,,,,,,,,31252,15566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31271,15567,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31271,15567,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31271,15567,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,31314,15568,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,31314,15568,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,31314,15568,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31335,15569,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31335,15569,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31335,15569,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31353,15570,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31353,15570,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31353,15570,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,31374,15571,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,31374,15571,1
P,31,TMP,phosphorus,,,,,ppm,0.0,internal,indirect,0.404808636,,,,,,,,,,31374,15571,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,31395,15572,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,31395,15572,1
P,31,TMP,phosphorus,,,,,ppm,0.0,internal,indirect,0.404808636,,,,,,,,,,31395,15572,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31419,15573,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31419,15573,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31419,15573,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,31437,15574,1
H,1,DSS,methyl carbons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,31437,15574,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,31437,15574,1
C,13,water,portons,,,,,ppm,4.754,internal,indirect,0.25144,,,,,,,,,,31461,15575,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1,,,,,,,,,,31461,15575,1
N,15,water,protons,,,,,ppm,4.754,internal,indirect,0.10133,,,,,,,,,,31461,15575,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31486,15576,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31486,15576,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31486,15576,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144953,,,,,,,,,,31507,15577,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,31507,15577,1
N,15,water,protons,,,,,ppm,4.63,internal,indirect,0.10132912,,,,,,,,,,31507,15577,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,31525,15578,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,31525,15578,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,31525,15578,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31545,15579,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31545,15579,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31561,15580,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31561,15580,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,31575,15581,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,31575,15581,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,31575,15581,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,NS3(10-24)citation,,,1,NS3(10-24)citation,31591,15582,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,NS3(10-24)citation,,,1,NS3(10-24)citation,31591,15582,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31607,15583,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31631,15584,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31631,15584,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31631,15584,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31651,15585,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31651,15585,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31651,15585,1
H,1,water,protons,,,,,ppm,4.766,internal,direct,1.0,,,,,,,,,,31669,15586,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31683,15587,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31683,15587,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31683,15587,1
C,13,DSS,protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,citation,,,1,citation,31698,15589,1
H,1,DSS,protons,,,,,ppm,0,external,direct,1,,,,1,citation,,,1,citation,31698,15589,1
N,15,DSS,protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,citation,,,1,citation,31698,15589,1
C,13,dioxane,methyl protons,,,,,ppm,3.751,internal,indirect,0.251449530,,,,,,,,,,31715,15590,1
H,1,dioxane,methyl protons,,,,,ppm,3.751,internal,direct,1.000000000,,,,,,,,,,31715,15590,1
N,15,dioxane,methyl protons,,,,,ppm,3.751,internal,indirect,0.101329118,,,,,,,,,,31715,15590,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31734,15591,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31734,15591,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31734,15591,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31755,15592,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31755,15592,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31755,15592,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31779,15593,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31779,15593,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31779,15593,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31799,15594,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31799,15594,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31799,15594,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31821,15595,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31821,15595,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31821,15595,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31842,15596,1
C,13,water,protons,,,,,ppm,4.766585,na,indirect,0.251449530,,,,,,,,,,31862,15597,1
H,1,water,protons,,,,,ppm,4.766585,internal,direct,1.0,,,,,,,,,,31862,15597,1
N,15,water,protons,,,,,ppm,4.766585,na,indirect,0.101329118,,,,,,,,,,31862,15597,1
C,13,water,protons,,,,,ppm,4.766585,na,indirect,0.251449530,,,,,,,,,,31882,15598,1
H,1,water,protons,,,,,ppm,4.766585,internal,direct,1.0,,,,,,,,,,31882,15598,1
N,15,water,protons,,,,,ppm,4.766585,na,indirect,0.101329118,,,,,,,,,,31882,15598,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,31898,15599,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,31898,15599,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,31898,15599,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,31912,15601,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,31912,15601,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,31912,15601,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31928,15602,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31928,15602,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31928,15602,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,31974,15603,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,31974,15603,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,31974,15603,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32003,15604,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32003,15604,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32003,15604,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32029,15605,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,32029,15605,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32029,15605,1
C,13,water,protons,,,,,ppm,4.657,internal,indirect,0.251449530,,,,,,,,,,32048,15606,1
H,1,water,protons,,,,,ppm,4.657,internal,direct,1,,,,,,,,,,32048,15606,1
N,15,water,protons,,,,,ppm,4.657,internal,indirect,0.101329118,,,,,,,,,,32048,15606,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32065,15607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32065,15607,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32065,15607,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32087,15608,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32087,15608,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32087,15608,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32107,15609,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32107,15609,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32107,15609,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,32107,15609,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32143,15610,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32143,15610,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32143,15610,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32170,15611,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32170,15611,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32170,15611,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,32187,15612,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000,,,,,,,,,,32187,15612,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32205,15613,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32222,15614,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32222,15614,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32222,15614,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32243,15615,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32243,15615,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32243,15615,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32264,15616,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32264,15616,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32264,15616,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32285,15617,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32285,15617,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32285,15617,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32304,15618,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32304,15618,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32304,15618,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,32317,1562,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32333,15620,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32333,15620,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32350,15621,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32350,15621,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32368,15622,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32368,15622,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32384,15623,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32384,15623,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32384,15623,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32403,15624,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32403,15624,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32403,15624,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32424,15625,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32424,15625,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32424,15625,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32441,15626,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32441,15626,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32441,15626,1
C,13,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,32455,15627,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,32455,15627,1
N,15,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,32455,15627,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,32479,15628,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.000000000,,,,,,,,,,32479,15628,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,32479,15628,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32507,15629,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32507,15629,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32507,15629,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32525,15632,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32525,15632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32525,15632,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32547,15633,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32547,15633,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32547,15633,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32562,15634,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32562,15634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32562,15634,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32585,15635,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32585,15635,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32585,15635,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32607,15636,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32607,15636,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32607,15636,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32630,15637,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32630,15637,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32630,15637,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,32648,15638,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,32648,15638,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,32648,15638,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32664,15639,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32681,15640,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,32696,15641,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32713,15642,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32713,15642,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32713,15642,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,32728,15643,1
H,1,water,protons,,,,,ppm,4.762,internal,direct,1,,,,,,,,,,32728,15643,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,32728,15643,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,32750,15644,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,32750,15644,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,32750,15644,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32775,15645,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32775,15645,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32775,15645,1
C,13,water,protons,,,,,ppm,4.744,internal,indirect,0.25146,,,,,,,,,,32793,15646,1
H,1,water,protons,,,,,ppm,4.744,internal,direct,1.00000,,,,,,,,,,32793,15646,1
N,15,water,protons,,,,,ppm,4.744,internal,indirect,0.10134,,,,,,,,,,32793,15646,1
H,1,TFE,methylene protons,,,,,ppm,3.88,internal,direct,1,,,,,,,,,,32807,15647,1
H,1,TFE,methylene protons,,,,,ppm,3.88,internal,direct,1,,,,,,,,,,32822,15648,1
H,1,TFE,methylene protons,,,,,ppm,3.88,internal,direct,1,,,,,,,,,,32837,15649,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,32857,15650,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,32857,15650,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,32857,15650,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32881,15651,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32881,15651,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32881,15651,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,32921,15652,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,32921,15652,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32921,15652,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32945,15653,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32945,15653,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32945,15653,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,32960,15654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,32960,15654,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,32960,15654,1
C,13,water,protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,32987,15655,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,32987,15655,1
N,15,water,protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,32987,15655,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,33017,15656,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,33017,15656,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,33017,15656,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,33035,15658,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,33035,15658,1
N,15,water,protons,,,,,ppm,4.78,,indirect,0.101329118,,,,,,,,,,33035,15658,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,33049,15659,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,33049,15659,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,33049,15659,1
H,,H2O/HDO,,,,,,ppm,4.73,,,,,,,1,entry_citation,,,1,entry_citation,33062,1566,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,33082,15660,1
H,1,DSS,protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,33082,15660,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,33082,15660,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33104,15661,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33104,15661,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33104,15661,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33132,15662,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33132,15662,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33132,15662,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33151,15663,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33151,15663,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33151,15663,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,33170,15664,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,33170,15664,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,33170,15664,1
H,1,TFE,protons,,,,,ppm,3.98,internal,direct,1,,,,,,,,,,33187,15665,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33204,15666,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33204,15666,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33204,15666,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33218,15667,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33234,15669,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33234,15669,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33234,15669,1
H,,H2O/HDO,,,,,,ppm,4.73,,,,,,,1,entry_citation,,,1,entry_citation,33247,1567,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,33269,15670,1
H,1,water,protons,,,,,ppm,4.751,internal,direct,1.000000000,,,,,,,,,,33269,15670,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,33269,15670,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,33293,15671,1
H,1,water,protons,,,,,ppm,4.751,internal,direct,1.000000000,,,,,,,,,,33293,15671,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,33293,15671,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33308,15672,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33308,15672,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33308,15672,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33328,15673,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33328,15673,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33328,15673,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33343,15674,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33343,15674,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33343,15674,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33360,15676,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33360,15676,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33360,15676,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33381,15677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33381,15677,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33381,15677,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33400,15678,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33400,15678,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33400,15678,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449519,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,33421,15679,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,33421,15679,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329112,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,33421,15679,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,33439,15680,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,33439,15680,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,33439,15680,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,33453,15681,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33453,15681,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33453,15681,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33467,15682,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.000000000,,,,,,,,,,33467,15682,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33467,15682,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33509,15683,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33509,15683,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33509,15683,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,33529,15684,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,33529,15684,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,33529,15684,1
C,13,water,protons,,,,,ppm,,internal,indirect,,,,,,,,,,,33547,15685,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,33547,15685,1
N,15,water,protons,,,,,ppm,,internal,indirect,,,,,,,,,,,33547,15685,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33563,15687,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33563,15687,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33563,15687,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33577,15688,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33577,15688,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33577,15688,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33591,15689,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33591,15689,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33591,15689,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,33621,15690,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,33621,15690,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,33621,15690,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33639,15691,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33639,15691,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33639,15691,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,33656,15692,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33678,15693,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33678,15693,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33678,15693,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,33692,15694,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,33692,15694,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,33692,15694,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33710,15695,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33710,15695,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33710,15695,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,33728,15697,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33748,15698,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33748,15698,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33748,15698,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33771,15700,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33771,15700,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33771,15700,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33800,15701,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33800,15701,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33800,15701,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33826,15702,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33826,15702,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33826,15702,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33844,15703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33844,15703,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33844,15703,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1,,,,,,,,,,33865,15704,1
N,15,TSP,protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,33865,15704,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33883,15705,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33906,15706,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,33906,15706,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33906,15706,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,33924,15707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,33924,15707,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,33924,15707,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,33940,15708,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,33956,1571,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144953,,,,,,,,,,33974,15710,1
H,1,water,protons,,,,,ppm,4.793,internal,direct,1,,,,,,,,,,33974,15710,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,33974,15710,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,33989,15711,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,33989,15711,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,33989,15711,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,34004,15712,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,34004,15712,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,34004,15712,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,34019,15713,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,34019,15713,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,34019,15713,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,34034,15714,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,34034,15714,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,34034,15714,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,34054,15715,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,34054,15715,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,34054,15715,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,34073,15716,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,34073,15716,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,34073,15716,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,1,citations,,,1,citations,34104,15717,1
H,1,water,protons,,,,,ppm,4.773,na,direct,1.000000000,,,,1,citations,,,1,citations,34104,15717,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,1,citations,,,1,citations,34104,15717,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,34126,15718,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,34126,15718,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,34126,15718,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,34142,15719,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,34142,15719,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,34142,15719,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34165,15720,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34165,15720,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34165,15720,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34185,15721,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34185,15721,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34185,15721,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,34206,15722,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,34206,15722,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,34206,15722,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144530,,,,,,,,,,34224,15723,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,34224,15723,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,34224,15723,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34314,15726,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34314,15726,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34314,15726,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34336,15727,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34336,15727,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34336,15727,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,34355,15728,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,34355,15728,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,34355,15728,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34378,15729,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,34391,1573,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34407,15730,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34423,15731,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34437,15732,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34437,15732,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34437,15732,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,34437,15732,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34453,15733,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34453,15733,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34453,15733,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,34483,15734,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25145,,,,,,,,,,34483,15734,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10133,,,,,,,,,,34483,15734,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34505,15735,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,34505,15735,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34505,15735,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34519,15736,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34519,15736,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34519,15736,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34544,15737,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,34544,15737,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34544,15737,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34560,15738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34560,15738,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34560,15738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34574,15739,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,34588,1574,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,34611,15740,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,34611,15740,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,34611,15740,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449512,,,,,,,,,,34626,15741,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,34626,15741,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101322905,,,,,,,,,,34626,15741,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,34643,15742,1
N,15,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,34643,15742,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34661,15743,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34661,15743,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34661,15743,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34675,15744,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34675,15744,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34675,15744,1
C,13,dioxane,methylene carbons,,,,,ppm,67.83,external,direct,1.0,,,,,,,,,,34695,15745,1
H,1,water,protons,,,,,ppm,4.73,external,direct,1.0,,,,,,,,,,34695,15745,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.93,external,direct,1.0,,,,,,,,,,34695,15745,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,34712,15746,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,34712,15746,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,34712,15746,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34732,15747,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34732,15747,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34749,15748,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34767,15749,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,34781,1575,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,34805,15750,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,34805,15750,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,34805,15750,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,34824,15751,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,34840,15752,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,34856,15753,1
C,13,NH3,nitrogen,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,34876,15755,1
H,1,H2O,protons,,,,,ppm,4.69,,direct,1.0,,,,,,,,,,34876,15755,1
N,15,TMS,carbons,,,,,ppm,67.8,,direct,1.0,,,,,,,,,,34876,15755,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,34892,15756,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34892,15756,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,34892,15756,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,34908,15757,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34908,15757,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,34908,15757,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,34924,15758,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34924,15758,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,34924,15758,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,34940,15759,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,34940,15759,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,34940,15759,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,34953,1576,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,34968,15760,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,34968,15760,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,34968,15760,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,34989,15761,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,34989,15761,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,34989,15761,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35012,15762,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35012,15762,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35012,15762,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35036,15763,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35036,15763,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35036,15763,1
C,13,water,protons,,,,,ppm,4.697,internal,indirect,0.251449531,,,,,,,,,,35050,15764,1
H,1,water,protons,,,,,ppm,4.697,internal,direct,1.0,,,,,,,,,,35050,15764,1
N,15,water,protons,,,,,ppm,4.697,internal,indirect,0.101329119,,,,,,,,,,35050,15764,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35073,15765,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35089,15766,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35089,15766,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35089,15766,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35105,15767,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35105,15767,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35105,15767,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35119,15768,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35119,15768,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35119,15768,1
C,13,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.251450002,,,,,,,,,,35136,15769,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,35136,15769,1
N,15,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.1013291444,,,,,,,,,,35136,15769,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,35150,1577,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,35170,15770,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,35170,15770,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,35170,15770,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35193,15773,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35193,15773,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35193,15773,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35225,15774,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35225,15774,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35225,15774,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35241,15775,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35241,15775,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35241,15775,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,1,Pfu_Rpp21,,,1,Pfu_Rpp21,35263,15776,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,1,Pfu_Rpp21,,,1,Pfu_Rpp21,35263,15776,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,1,Pfu_Rpp21,,,1,Pfu_Rpp21,35263,15776,1
C,13,water,protons,,,,,ppm,4.7791166,internal,indirect,0.25144954,,,,,,,,,,35282,15777,1
H,1,water,protons,,,,,ppm,4.7791166,internal,direct,1,,,,,,,,,,35282,15777,1
N,15,water,protons,,,,,ppm,4.7791166,internal,indirect,0.101329,,,,,,,,,,35282,15777,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,35317,15778,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,35317,15778,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,35317,15778,1
C,13,water,protons,,,,,ppm,4.7730,internal,indirect,0.251449530,,,,,,,,,,35331,15779,1
H,1,water,protons,,,,,ppm,4.7730,internal,direct,1.000000000,,,,,,,,,,35331,15779,1
N,15,water,protons,,,,,ppm,4.7730,internal,indirect,0.101329118,,,,,,,,,,35331,15779,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,35344,1578,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,35364,15780,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,35364,15780,1
P,31,TMP,phosphorus,,,,,ppm,0,na,indirect,0.404808688,,,,,,,,,,35364,15780,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,35384,15781,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,35384,15781,1
P,31,TMP,phosphorus,,,,,ppm,0,na,indirect,0.404808688,,,,,,,,,,35384,15781,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35399,15782,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35399,15782,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35399,15782,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35415,15783,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35415,15783,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35415,15783,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35434,15784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35434,15784,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35434,15784,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35450,15785,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35450,15785,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35450,15785,1
C,13,DSS,methylene protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,35474,15786,1
H,1,DSS,methylene protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,35474,15786,1
N,15,DSS,methylene protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,35474,15786,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35492,15787,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35492,15787,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35492,15787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35512,15788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35512,15788,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35512,15788,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35533,15789,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35533,15789,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35533,15789,1
C,13,DSS,methly protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,35553,15790,1
H,1,DSS,methly protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,35553,15790,1
N,15,DSS,methly protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,35553,15790,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,35577,15791,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,35577,15791,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,35577,15791,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,35594,15792,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,119.0,external,indirect,1.0,,,,,,,,,,35594,15792,1
C,13,dioxane,methylene carbons,,,,,ppm,69.3,external,direct,1.0,,,,,,,,,,35612,15793,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35612,15793,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35612,15793,1
C,13,water,protons,,,,,ppm,1.0,na,indirect,0.251449530,,,,,,,,,,35630,15795,1
H,1,water,protons,,,,,ppm,4.745,internal,direct,1.0,,,,,,,,,,35630,15795,1
N,15,water,protons,,,,,ppm,1.0,na,indirect,0.101329118,,,,,,,,,,35630,15795,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35652,15796,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35652,15796,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35652,15796,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,35674,15797,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,35674,15797,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,35674,15797,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35694,15798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35694,15798,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35694,15798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35708,15799,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,35721,1580,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,35721,1580,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,35721,1580,1
C,13,water,protons,,,,,ppm,4.725,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,35738,15800,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,35738,15800,1
N,15,water,protons,,,,,ppm,4.725,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,35738,15800,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.2514580,,,,,,,,,,35760,15801,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,35760,15801,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.1013406,,,,,,,,,,35760,15801,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,35778,15802,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,35778,15802,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,35778,15802,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,35798,15803,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,35798,15803,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,35798,15803,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35828,15804,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35828,15804,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35828,15804,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35848,15805,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,35848,15805,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35848,15805,1
H,1,1.4-dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.000000000,,,,,,,,,,35868,15806,1
N,15,1.4-dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.101329118,,,,,,,,,,35868,15806,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35886,15807,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35886,15807,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35886,15807,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35906,15808,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35906,15808,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35906,15808,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,35931,15809,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,35931,15809,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,35931,15809,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,35944,1581,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,35944,1581,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35966,15810,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35966,15810,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35966,15810,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,35992,15811,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,35992,15811,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,35992,15811,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36016,15812,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36016,15812,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36016,15812,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36033,15813,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.000000000,,,,,,,,,,36033,15813,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36033,15813,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,36050,15814,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,36050,15814,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36050,15814,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,36072,15816,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,36072,15816,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,36072,15816,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36087,15817,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,36087,15817,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36087,15817,1
C,13,adamantane,methyl carbon,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,36103,15818,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36150,15819,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,36150,15819,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36150,15819,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,36165,1582,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,36165,1582,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36181,15820,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36181,15820,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36181,15820,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36228,15821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal 50uM DSS,,,,,,,,,36228,15821,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36228,15821,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,36258,15822,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,36258,15822,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,36258,15822,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36278,15823,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36278,15823,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36278,15823,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36302,15824,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36302,15824,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36302,15824,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36347,15825,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal 50 uM DSS,,,,,,,,,36347,15825,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36347,15825,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.000000000,,,,1,Entry,,,1,Entry,36372,15826,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,Entry,,,1,Entry,36372,15826,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,Entry,,,1,Entry,36372,15826,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36386,15827,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36404,15828,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36404,15828,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36404,15828,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36450,15829,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36450,15829,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36450,15829,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,36467,1583,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,36467,1583,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,36483,15830,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,36483,15830,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,36499,15831,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,36499,15831,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,36517,15832,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,36517,15832,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,36542,15833,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,36542,15833,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,36542,15833,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36567,15834,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36567,15834,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36567,15834,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36592,15835,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36592,15835,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36592,15835,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36613,15836,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36613,15836,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36613,15836,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36639,15837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36639,15837,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36639,15837,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36659,15839,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36659,15839,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36659,15839,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,36672,1584,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,36672,1584,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36692,15840,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36692,15840,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36692,15840,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36717,15841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36717,15841,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36717,15841,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36744,15843,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36744,15843,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36744,15843,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,36782,15844,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,36782,15844,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,36782,15844,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36802,15845,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36802,15845,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36802,15845,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,36836,15846,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000,,,,1,entry_citation,,,1,entry_citation,36836,15846,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,36836,15846,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,36860,15847,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,36860,15847,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,36860,15847,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,36882,15848,1
H,1,DSS,methyl carbons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,36882,15848,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,36882,15848,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36925,15849,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36925,15849,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36925,15849,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,36939,1585,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36968,15850,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal DSS 50 uM,,,,,,,,,36968,15850,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36968,15850,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,36994,15851,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,36994,15851,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,36994,15851,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,37015,15852,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,37015,15852,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,37015,15852,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37035,15853,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37035,15853,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37035,15853,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,37054,15854,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,37054,15854,1
N,15,TSP,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,37054,15854,1
C,13,water,protons,,,,,ppm,4.770,internal,indirect,0.251449530,,,,,,,,,,37079,15855,1
H,1,water,protons,,,,,ppm,4.770,internal,direct,1,,,,,,,,,,37079,15855,1
N,15,water,protons,,,,,ppm,4.770,internal,indirect,0.101329118,,,,,,,,,,37079,15855,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37112,15856,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37112,15856,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37112,15856,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37142,15857,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37142,15857,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37142,15857,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37166,15858,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37166,15858,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37192,15859,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37192,15859,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37192,15859,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,37205,1586,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37229,15860,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37250,15863,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37250,15863,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,37269,15864,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37269,15864,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,37269,15864,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37285,15865,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37285,15865,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37285,15865,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37302,15866,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37302,15866,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37302,15866,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37320,15867,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37320,15867,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37320,15867,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37336,15868,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37336,15868,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37336,15868,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37356,15869,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,37356,15869,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37356,15869,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,37356,15869,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,37369,1587,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37386,15870,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37386,15870,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37386,15870,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,indirect,1,,,,1,entry_citation,,,1,entry_citation,37406,15871,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,1,,,,1,entry_citation,,,1,entry_citation,37406,15871,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,external,indirect,1,,,,1,entry_citation,,,1,entry_citation,37406,15871,1
C,13,TMSP,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,37430,15873,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,37430,15873,1
N,15,TMSP,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,37430,15873,1
C,13,TMSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,37454,15874,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,37454,15874,1
N,15,TMSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,37454,15874,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37473,15875,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37473,15875,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37473,15875,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37488,15876,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37488,15876,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37488,15876,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37509,15877,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37509,15877,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37509,15877,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,37524,15878,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,37545,15879,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,37545,15879,1
H,,H2O/HDO,,,,,,ppm,3.4,,,,,,,1,entry_citation,,,1,entry_citation,37558,1588,1
C,13,DSS,methyl carbon,,,,,ppm,0,,direct,1.000000000,,,,,,,,,,37576,15880,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,37576,15880,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,37576,15880,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,37594,15881,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,37594,15881,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,37594,15881,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,37609,15882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,37609,15882,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,37609,15882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37625,15883,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37625,15883,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37625,15883,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37639,15884,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37639,15884,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37639,15884,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37656,15885,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37656,15885,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37656,15885,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,37675,15887,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,37675,15887,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37693,15888,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37693,15888,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,37711,15889,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,37711,15889,1
H,,H2O/HDO,,,,,,ppm,3.4,,,,,,,1,entry_citation,,,1,entry_citation,37725,1589,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37742,15890,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37742,15890,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,37760,15891,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,37760,15891,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,37777,15892,1
N,15,water,nitrogen,,,,,ppm,4.82,na,indirect,0.101329118,,,,,,,,,,37777,15892,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,37797,15893,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,37797,15893,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,37797,15893,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,37817,15894,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,37817,15894,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,37817,15894,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,37837,15895,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,37837,15895,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,37837,15895,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,37859,15896,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,37859,15896,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,37859,15896,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,37881,15897,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,37881,15897,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,37881,15897,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,37901,15898,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,1,entry_citation,,,1,entry_citation,37901,15898,1
P,31,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,37901,15898,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37918,15899,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,37918,15899,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37918,15899,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,37931,1590,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,38723,15934,1
C,13,water,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,37952,15900,1
H,1,dioxane,methyl protons,,,,,ppm,3.75,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,37952,15900,1
N,15,water,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,37952,15900,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,37968,15901,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,37968,15901,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,37968,15901,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38011,15902,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38011,15902,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38011,15902,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38036,15903,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,38036,15903,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38036,15903,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,38253,1591,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38295,15911,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38295,15911,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38295,15911,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38315,15912,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38315,15912,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38315,15912,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,38341,15913,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.000000000,,,,1,entry_citation,,,1,entry_citation,38341,15913,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,38341,15913,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,38362,15914,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,38362,15914,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,38362,15914,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,38388,15915,1
H,1,water,protons,,,,,ppm,5.002,internal,direct,1.000000000,,,,,,,,,,38389,15915,2
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,38390,15915,3
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38414,15916,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38414,15916,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38414,15916,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38436,15917,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38436,15917,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38436,15917,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38455,15918,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,38455,15918,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38455,15918,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38476,15919,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38476,15919,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38476,15919,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,38489,1592,1
C,13,water,protons,,,,,ppm,4.53,internal,indirect,0.1,,,,,,,,,,38504,15921,1
H,1,water,protons,,,,,ppm,4.53,internal,direct,1.0,,,,,,,,,,38504,15921,1
N,15,water,protons,,,,,ppm,4.53,internal,indirect,0.25,,,,,,,,,,38504,15921,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38518,15922,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38518,15922,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38518,15922,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,0.25144954,,,,,,,,,,38560,15924,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,38560,15924,1
N,15,water,protons,,,,,ppm,4.727517028,internal,indirect,0.101329,,,,,,,,,,38560,15924,1
C,13,water,protons,,,,,ppm,4.727517028,internal,indirect,0.25144954,,,,,,,,,,38581,15925,1
H,1,water,protons,,,,,ppm,4.727517028,internal,indirect,1,,,,,,,,,,38581,15925,1
N,15,water,protons,,,,,ppm,4.727517028,internal,indirect,0.101329,,,,,,,,,,38581,15925,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,38604,15926,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,38604,15926,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,38621,15927,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,38621,15927,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,38621,15927,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38640,15928,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38640,15928,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38640,15928,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38655,15930,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38655,15930,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38655,15930,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,38671,15931,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.0101329118,,,,,,,,,,38671,15931,1
C,13,water,protons,,,,,ppm,4.682,na,indirect,0.251449530,,,,,,,,,,38690,15932,1
H,1,water,protons,,,,,ppm,4.682,internal,direct,1.0,,,,,,,,,,38690,15932,1
N,15,water,protons,,,,,ppm,4.682,na,indirect,0.101329118,,,,,,,,,,38690,15932,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,38706,15933,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,38706,15933,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,38706,15933,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38723,15934,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38723,15934,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,38755,15935,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,38755,15935,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,38755,15935,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38779,15936,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38779,15936,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38779,15936,1
H,1,Trifluoroethanol,methylene protons,,,,,ppm,3.95,internal,direct,1,,,,,,,,,,38802,15937,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38820,15938,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38820,15938,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38820,15938,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,38820,15938,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38843,15939,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38843,15939,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38843,15939,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38860,15940,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38860,15940,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38860,15940,1
C,13,dioxane,carbon,,,,,ppm,67.83,internal,direct,1.0,,,,,,,,,,38881,15941,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,38881,15941,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.93,internal,direct,1.0,,,,,,,,,,38881,15941,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38895,15942,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38895,15942,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38895,15942,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38915,15943,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000,,,,,,,,,,38915,15943,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38915,15943,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,38945,15944,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,38945,15944,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,38945,15944,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,38960,15945,1
H,1,water,protons,,,,,ppm,4.695,internal,direct,1.0,,,,,,,,,,38977,15946,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,38993,15948,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,38993,15948,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,38993,15948,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39011,15949,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39011,15949,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39011,15949,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39026,15950,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39026,15950,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39026,15950,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39042,15951,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39042,15951,1
C,13,dioxane,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,39060,15952,1
H,1,TSP,methylene protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,39060,15952,1
N,15,TSP,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,39060,15952,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39074,15953,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39074,15953,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39074,15953,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39092,15954,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39092,15954,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39092,15954,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39112,15955,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39112,15955,1
C,13,TSP,protons,,,,,ppm,0.00,external,indirect,0.25144953,,,,,,,,,,39136,15956,1
H,1,TSP,protons,,,,,ppm,0.00,external,direct,1.000,,,,,,,,,,39136,15956,1
N,15,TSP,protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,39136,15956,1
C,13,,,,,,,ppm,0.00,,,,,,,,,,,,,39150,15957,1
H,1,,,,,,,ppm,0.00,internal,,,,,,,,,,,,39150,15957,1
N,15,,,,,,,ppm,0.00,,,,,,,,,,,,,39150,15957,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39173,15958,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39173,15958,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39173,15958,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,39190,15959,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,39190,15959,1
C,13,TSP,methyl carbons,,,,,ppm,0,na,indirect,1,,,,,,,,,,39207,15960,1
H,1,TSP,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,39207,15960,1
N,15,TSP,methyl carbons,,,,,ppm,0,na,indirect,1,,,,,,,,,,39207,15960,1
C,13,water,protons,,,,,ppm,4.69,internal,indirect,0.251449530,,,,,,,,,,39222,15961,1
H,1,water,protons,,,,,ppm,4.69,internal,direct,1.0,,,,,,,,,,39222,15961,1
N,15,water,protons,,,,,ppm,4.69,internal,indirect,0.101329118,,,,,,,,,,39222,15961,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39247,15962,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39247,15962,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39247,15962,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39272,15963,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39272,15963,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39272,15963,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39295,15964,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39295,15964,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39295,15964,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,insert at center of experimental sample tube,cylindrical,,,,,,,,39317,15965,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,cylindrical,,,,,,,,39317,15965,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,other,cylindrical,,,,,,,,39317,15965,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,39337,15966,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,39337,15966,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,39337,15966,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39354,15967,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39354,15967,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39354,15967,1
C,13,water,protons,,,,,ppm,4.70,na,indirect,0.251449530,,,,,,,,,,39370,15968,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1,,,,,,,,,,39370,15968,1
N,15,water,protons,,,,,ppm,4.70,na,indirect,0.101329118,,,,,,,,,,39370,15968,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.25144953,,,,,,,,,,39385,15969,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,39385,15969,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,39385,15969,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1.0,,,,,,,,,,39401,15970,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1.0,,,,,,,,,,39416,15971,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,39430,15972,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39430,15972,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,39430,15972,1
C,13,dioxane,methylene protons,,,,,ppm,75.0,internal,direct,1,,,,,,,,,,39447,15973,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,39447,15973,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39463,15974,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39463,15974,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39463,15974,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39478,15975,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39478,15975,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39478,15975,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39502,15977,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39502,15977,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39502,15977,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39516,15978,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39530,15979,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39544,15980,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,39560,15981,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0000000,,,,,,,,,,39560,15981,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,39560,15981,1
C,13,dioxane,methylene carbons,,,,,ppm,69.3,internal,direct,1.0,,,,,,,,,,39579,15983,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.0,,,,,,,,,,39579,15983,1
N,15,water,protons,,,,,ppm,4.657,internal,indirect,0.101329118,,,,,,,,,,39579,15983,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39604,15986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39604,15986,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39604,15986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39619,15987,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39634,15988,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39634,15988,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39634,15988,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39655,15989,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39655,15989,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39655,15989,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39673,15990,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39673,15990,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39673,15990,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,39691,15991,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39691,15991,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,39691,15991,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39709,15992,1
H,1,water,protons,,,,,ppm,4.689,na,direct,1,,,,,,,,,,39726,15993,1
N,15,water,protons,,,,,ppm,4.698,na,indirect,,,,,,,,,,,39726,15993,1
H,1,water,protons,,,,,ppm,4.698,na,direct,1,,,,,,,,,,39743,15994,1
N,15,water,protons,,,,,ppm,4.689,na,indirect,,,,,,,,,,,39743,15994,1
C,13,water,protons,,,,,ppm,4.48,internal,indirect,0.25144954,,,,,,,,,,39764,15995,1
H,1,water,protons,,,,,ppm,4.48,internal,direct,1.0,,,,,,,,,,39764,15995,1
N,15,water,protons,,,,,ppm,4.48,internal,indirect,0.10132900,,,,,,,,,,39764,15995,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,39782,15996,1
H,1,water,protons,,,,,ppm,4.766,internal,direct,1.0,,,,,,,,,,39782,15996,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,39782,15996,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,direct,1.0,,,,,,,,,,39797,15997,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,39797,15997,1
N,15,DSS,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,39797,15997,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39814,15998,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39814,15998,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39814,15998,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,39863,15999,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39863,15999,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,39863,15999,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1.000000000,,,,,,,,,,39882,16000,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449527,,,,1,citations,,,1,citations,39902,16001,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,1,citations,,,1,citations,39902,16001,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,1,citations,,,1,citations,39902,16001,1
C,13,acetate,methyl carbon,,,,,ppm,,external,direct,1.0,,,,,,,,,,39920,16002,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,39920,16002,1
N,15,urea,nitrogen,,,,,ppm,,external,direct,1.0,,,,,,,,,,39920,16002,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,39935,16003,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,39935,16003,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,39935,16003,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,39955,16005,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,39955,16005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,39955,16005,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,39977,16006,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,39977,16006,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,39977,16006,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,40000,16007,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,40000,16007,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,40000,16007,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40019,16008,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40019,16008,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40019,16008,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40038,16009,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40038,16009,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40038,16009,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40053,16010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40053,16010,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40053,16010,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40068,16011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40068,16011,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40068,16011,1
C,13,TSP,methyl carbons,,,,,ppm,-0.15,internal,indirect,0.251449530,,,,,,,,,,40086,16012,1
H,1,TSP,methyl protons,,,,,ppm,0.003,internal,direct,1.000000000,,,,,,,,,,40086,16012,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40086,16012,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,40104,16014,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,40104,16014,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,40104,16014,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,40122,16015,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,40122,16015,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,40122,16015,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40142,16016,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40142,16016,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40142,16016,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,40160,16018,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40180,16019,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40180,16019,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40180,16019,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,40180,16019,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40201,16020,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40201,16020,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,40219,16021,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,40219,16021,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0.00,external,direct,1,,,,,,,,,,40219,16021,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,40240,16022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40240,16022,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,40262,16023,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40262,16023,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,40282,16024,1
N,15,water,protons,,,,,ppm,18.50,internal,indirect,0.101329118,,,,,,,,,,40282,16024,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0,,,,,,,,,,40301,16025,1
N,15,water,protons,,,,,ppm,4.73,internal,indirect,0.10132900,,,,,,,,,,40301,16025,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40318,16026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40334,16027,1
H,1,methanol,methyl protons,,,,,ppm,3.315,internal,direct,1.0,,,,,,,,,,40353,16028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,40377,16029,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40377,16029,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,40377,16029,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,40399,16030,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40399,16030,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,40399,16030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40416,16031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40416,16031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40416,16031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40439,16032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40439,16032,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40439,16032,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,40459,16033,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,40459,16033,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.102329118,,,,,,,,,,40459,16033,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,40484,16034,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,40484,16034,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.102329118,,,,,,,,,,40484,16034,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,40501,16035,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,40501,16035,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,40501,16035,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,40523,16037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,40523,16037,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,40523,16037,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40540,16038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40540,16038,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40540,16038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40555,16039,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40555,16039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40570,16040,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40570,16040,1
C,13,water,protons,,,,,ppm,4.96,internal,indirect,0.25,,,,,,,,,,40588,16041,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1,,,,,,,,,,40588,16041,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40603,16042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40603,16042,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40603,16042,1
C,13,water,protons,,,,,ppm,4.964,na,indirect,0.251449530,,,,,,,,,,40622,16043,1
H,1,water,protons,,,,,ppm,4.694,internal,direct,1,,,,,,,,,,40622,16043,1
N,15,water,protons,,,,,ppm,4.964,na,indirect,0.101329118,,,,,,,,,,40622,16043,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40640,16044,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40640,16044,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40640,16044,1
H,1,water,methyl protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,40657,16045,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40673,16046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40673,16046,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40673,16046,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,40689,16047,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,40689,16047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,40689,16047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,40705,16048,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,40705,16048,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,40705,16048,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40721,16049,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40721,16049,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40721,16049,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,40739,16050,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.00,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,40739,16050,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,40739,16050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,40762,16051,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,40762,16051,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,40762,16051,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,40781,16052,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40781,16052,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,40781,16052,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40800,16053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40800,16053,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40800,16053,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,40817,16054,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,40834,16055,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40855,16056,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40855,16056,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,40871,16057,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,40871,16057,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,1,entry_citation,,,1,entry_citation,40871,16057,1
C,13,dioxane,methyl carbon,,,,,ppm,69.4,external,direct,1.00,,,,1,entry_citation,,,1,entry_citation,40893,16058,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,40893,16058,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,40893,16058,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,40910,16059,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,40910,16059,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,40910,16059,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,40935,16060,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,40935,16060,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40956,16061,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40956,16061,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,40956,16061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,40976,16062,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,40976,16062,1
C,13,water,protons,,,,,ppm,4.71,internal,direct,1,,,,,,,,,,40993,16063,1
H,1,water,protons,,,,,ppm,4.71,internal,direct,1,,,,,,,,,,40993,16063,1
N,15,water,protons,,,,,ppm,4.71,internal,direct,1,,,,,,,,,,40993,16063,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41020,16064,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41020,16064,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41020,16064,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41051,16065,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41051,16065,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41051,16065,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41074,16066,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41074,16066,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41074,16066,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41090,16067,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41090,16067,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41090,16067,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,41110,16068,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,41110,16068,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,41110,16068,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,41127,16069,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1,,,,,,,,,,41127,16069,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,41127,16069,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,41149,16070,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41163,16071,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41163,16071,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41163,16071,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,41189,16072,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,41189,16072,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,41189,16072,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,41207,16073,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1,,,,,,,,,,41221,16074,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41235,16075,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41235,16075,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41235,16075,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41249,16076,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41249,16076,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41249,16076,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41263,16077,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41263,16077,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41263,16077,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41277,16078,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41277,16078,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41277,16078,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41291,16079,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41291,16079,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41291,16079,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41305,16080,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41305,16080,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41305,16080,1
C,13,water,protons,,,,,ppm,4.75,na,indirect,0.2514598,,,,,,,,,,41320,16082,1
H,1,water,protons,,,,,ppm,4.75,na,direct,1,,,,,,,,,,41320,16082,1
N,15,water,protons,,,,,ppm,4.75,na,indirect,0.1013409,,,,,,,,,,41320,16082,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41341,16083,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,45469,16305,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41341,16083,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41341,16083,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,41367,16084,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,41367,16084,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,41367,16084,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41381,16085,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41381,16085,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41381,16085,1
C,13,water,protons,,,,,ppm,4.70,internal,indirect,0.25144953,,,,,,,,,,41396,16087,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1,,,,,,,,,,41396,16087,1
N,15,water,protons,,,,,ppm,4.70,internal,indirect,0.101329118,,,,,,,,,,41396,16087,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,41417,16088,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41437,16089,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41437,16089,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41437,16089,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41459,16090,1
N,15,water,protons,,,,,ppm,4.77,na,indirect,0.101329118,,,,,,,,,,41459,16090,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41485,16091,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41485,16091,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41485,16091,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41506,16093,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41506,16093,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41506,16093,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,41525,16094,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41554,16096,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41554,16096,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41554,16096,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,41584,16097,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,41584,16097,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,41584,16097,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41602,16098,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41602,16098,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41602,16098,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,1,entry_citation,,,1,entry_citation,41628,16099,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,1,entry_citation,,,1,entry_citation,41628,16099,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,1,entry_citation,,,1,entry_citation,41628,16099,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,41644,161,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,41671,16100,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,41671,16100,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,41671,16100,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,NESG_MEGA_target_AR3445A,,,1,NESG_MEGA_target_AR3445A,41693,16101,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000,,,,1,NESG_MEGA_target_AR3445A,,,1,NESG_MEGA_target_AR3445A,41693,16101,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,NESG_MEGA_target_AR3445A,,,1,NESG_MEGA_target_AR3445A,41693,16101,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41721,16102,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41721,16102,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41721,16102,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41746,16103,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,41746,16103,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41746,16103,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41763,16104,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41763,16104,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41763,16104,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41779,16105,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41779,16105,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41779,16105,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41806,16107,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41806,16107,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41806,16107,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,41806,16107,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41826,16108,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41826,16108,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41826,16108,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41849,16109,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41849,16109,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41849,16109,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41875,16110,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41875,16110,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41875,16110,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41892,16111,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41892,16111,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41892,16111,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41906,16112,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,41925,16113,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,41925,16113,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,41925,16113,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251441449530,,,,,,,,,,41947,16114,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,41947,16114,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,41947,16114,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,41964,16115,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,41964,16115,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,41964,16115,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41981,16116,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41981,16116,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41981,16116,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,41998,16117,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,41998,16117,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,41998,16117,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42019,16118,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42019,16118,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42019,16118,1
C,13,ubiquitin,methyl carbons,,,,,ppm,43.0,external,indirect,1.0,,,,,,,,,,42042,16119,1
H,1,water,protons,,,,,ppm,4.87,na,direct,1.0,,,,,,,,,,42042,16119,1
N,15,ubiquitin,nitrogen,,,,,ppm,119,external,indirect,1.0,,,,,,,,,,42042,16119,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42060,16120,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42060,16120,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42060,16120,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42082,16121,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42082,16121,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42082,16121,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42096,16122,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42096,16122,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42110,16123,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,42110,16123,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42110,16123,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42128,16124,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42128,16124,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42128,16124,1
C,13,DSS,methyl protons,,,,,ppm,-0.121,internal,indirect,0.251,,,,,,,,,,42145,16126,1
H,1,DSS,methyl protons,,,,,ppm,-0.121,internal,direct,1.0,,,,,,,,,,42145,16126,1
N,15,DSS,methyl protons,,,,,ppm,-0.121,internal,indirect,0.101,,,,,,,,,,42145,16126,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,42168,16127,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,42168,16127,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,42168,16127,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42188,16129,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,42188,16129,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42188,16129,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42204,16130,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42204,16130,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42204,16130,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42219,16131,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42219,16131,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42219,16131,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42234,16133,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42234,16133,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42234,16133,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42250,16134,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42250,16134,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42250,16134,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,42267,16135,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,42267,16135,1
N,15,water,protons,,,,,Hz,2863.8,internal,indirect,,,,,,,,,,,42267,16135,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42284,16136,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42284,16136,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42284,16136,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42300,16137,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42300,16137,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42300,16137,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42323,16138,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,42339,16139,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42339,16139,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,42339,16139,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42356,16140,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42372,16141,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42372,16141,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42372,16141,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42391,16142,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42391,16142,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42391,16142,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42410,16143,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42410,16143,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42410,16143,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42429,16144,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42429,16144,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42429,16144,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42447,16145,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42447,16145,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42447,16145,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,42447,16145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42464,16146,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42464,16146,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42464,16146,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42482,16147,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42482,16147,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42482,16147,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42501,16148,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42501,16148,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42501,16148,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42520,16149,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42520,16149,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42520,16149,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42537,16150,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42537,16150,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42537,16150,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42554,16151,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42554,16151,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42554,16151,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42571,16152,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42571,16152,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42571,16152,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,42596,16153,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,42596,16153,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,42596,16153,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42621,16154,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42621,16154,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42621,16154,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42643,16155,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42643,16155,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42643,16155,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.25144,,,,,,,,,,42665,16156,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000,,,,,,,,,,42665,16156,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.10132,,,,,,,,,,42665,16156,1
C,13,TSP,protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,42689,16157,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,42689,16157,1
N,15,TSP,protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,42689,16157,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42706,16158,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42706,16158,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,42725,16159,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,42725,16159,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,42739,1616,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,42756,16160,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,42756,16160,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,42756,16160,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42783,16161,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42783,16161,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42783,16161,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42803,16162,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42803,16162,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42824,16163,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42824,16163,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42824,16163,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.251449537,,,,,,,,,,42852,16164,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1.0,,,,,,,,,,42852,16164,1
N,15,[15N] ammonium nitrate,nitrogen,,,,,ppm,0,external,indirect,0.101329112,,,,,,,,,,42852,16164,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,42867,16165,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,42867,16165,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,42867,16165,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,42882,16166,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,42882,16166,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,42882,16166,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42898,16167,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42898,16167,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42898,16167,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42916,16168,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42916,16168,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42916,16168,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,42930,16169,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,42944,16170,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,42958,16171,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,42972,16172,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,42992,16173,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,42992,16173,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,42992,16173,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43016,16174,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43016,16174,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43016,16174,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43030,16175,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43030,16175,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43030,16175,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,1,Prp40_FF4_domain,,,1,Prp40_FF4_domain,43050,16176,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,1,Prp40_FF4_domain,,,1,Prp40_FF4_domain,43050,16176,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,1,Prp40_FF4_domain,,,1,Prp40_FF4_domain,43050,16176,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,43067,16177,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,43067,16177,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,43067,16177,1
H,1,trifluoroethanol,methylene protons,,,,,ppm,3.918,internal,direct,1.0,,,,,,,,,,43083,16178,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,43105,16179,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,43105,16179,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,43105,16179,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,43126,16180,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,43126,16180,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,43126,16180,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,43147,16181,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,43147,16181,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,43147,16181,1
H,1,TFE,methylene protons,,,,,ppm,3.88,internal,direct,1.0,,,,,,,,,,43162,16182,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43184,16183,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43184,16183,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43184,16183,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43206,16184,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43206,16184,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43206,16184,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43227,16185,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43227,16185,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43227,16185,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,43273,16186,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,43273,16186,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,43273,16186,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,43293,16187,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43313,16188,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43313,16188,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43313,16188,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43331,16189,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43331,16189,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43331,16189,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43354,16190,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43354,16190,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43371,16191,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43371,16191,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43371,16191,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25,,,,,,,,,,43389,16192,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,43389,16192,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.1,,,,,,,,,,43389,16192,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25,,,,,,,,,,43409,16193,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,43409,16193,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.1,,,,,,,,,,43409,16193,1
C,13,water,protons,,,,,ppm,4,internal,indirect,,,,,,,,,,,43429,16194,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,43429,16194,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,43429,16194,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43445,16195,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43445,16195,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43445,16195,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,43463,16196,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,43463,16196,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,43463,16196,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,43481,16197,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,43481,16197,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,43481,16197,1
C,13,DSS,methyl carbon,,,,,ppm,50.12,,indirect,1.00,,,,,,,,,,43495,16198,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00,,,,,,,,,,43495,16198,1
N,15,DSS,nitrogen,,,,,ppm,118.05,,indirect,1.00,,,,,,,,,,43495,16198,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,43513,16199,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,43513,16199,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,43513,16199,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,43526,162,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,43539,1620,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,43557,16200,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,43557,16200,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,43557,16200,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,43575,16201,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,43575,16201,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,43575,16201,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,43593,16202,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,43593,16202,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,43593,16202,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,43610,16203,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,43610,16203,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,43610,16203,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,43626,16204,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,43626,16204,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,43626,16204,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,43640,16205,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43640,16205,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,43640,16205,1
C,13,water,protons,,,,,ppm,4.75,na,indirect,0.251449530,,,,,,,,,,43656,16206,1
H,1,water,protons,,,,,ppm,4.75,na,direct,1.0,,,,,,,,,,43656,16206,1
N,15,water,protons,,,,,ppm,4.75,na,indirect,0.101329118,,,,,,,,,,43656,16206,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251,,,,,,,,,,43670,16207,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,43670,16207,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101,,,,,,,,,,43670,16207,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251,,,,1,entry_citation,,,1,entry_citation,43686,16208,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,43686,16208,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101,,,,1,entry_citation,,,1,entry_citation,43686,16208,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43704,16209,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43704,16209,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43704,16209,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43725,16210,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43725,16210,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43725,16210,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,43739,16211,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,43739,16211,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,43756,16212,1
C,13,DSS,methyl protons,,,,,ppm,0.5,,indirect,0.251449530,,,,,,,,,,43770,16213,1
H,1,DSS,methyl protons,,,,,ppm,0.03,internal,direct,1.000000000,,,,,,,,,,43770,16213,1
N,15,DSS,methyl protons,,,,,ppm,0.5,,indirect,0.101329118,,,,,,,,,,43770,16213,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43793,16214,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43793,16214,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43793,16214,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43818,16215,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,45469,16305,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43818,16215,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43818,16215,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43840,16216,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43840,16216,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43840,16216,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43856,16217,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43856,16217,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43856,16217,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43872,16218,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43872,16218,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43872,16218,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43897,16219,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,43897,16219,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43897,16219,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,43915,16221,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,43915,16221,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,43915,16221,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,43938,16222,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,43959,16223,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,43984,16225,1
P,31,phosphoric acid,phosphorous,,,,,ppm,0,external,direct,1,,,,,,,,,,43984,16225,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,44009,16226,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44024,16228,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44024,16228,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44024,16228,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44044,16229,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44044,16229,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44044,16229,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44074,16230,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44074,16230,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44074,16230,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44088,16231,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44088,16231,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44088,16231,1
C,13,water,protons,,,,,ppm,4.725,internal,indirect,0.251449530,,,,,,,,,,44106,16233,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1,,,,,,,,,,44106,16233,1
N,15,water,protons,,,,,ppm,4.725,internal,indirect,0.01329118,,,,,,,,,,44106,16233,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,44135,16235,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,44149,16236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,44149,16236,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,44149,16236,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44171,16237,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44171,16237,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44171,16237,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,44196,16238,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,44196,16238,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,44196,16238,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44218,16239,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,44218,16239,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44218,16239,1
H,,H2O/HDO,,,,,,ppm,4.67,,,,,,,1,entry_citation,,,1,entry_citation,44232,1624,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44253,16240,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44253,16240,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44253,16240,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44272,16241,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,44272,16241,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44272,16241,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44290,16243,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44290,16243,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44290,16243,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44308,16244,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44308,16244,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44308,16244,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.000000000,,,,,,,,,,44326,16245,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,44326,16245,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44343,16246,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44343,16246,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44343,16246,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44360,16247,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44360,16247,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44360,16247,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44377,16248,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44377,16248,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44377,16248,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44401,16249,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44401,16249,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44401,16249,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44428,16250,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44428,16250,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44428,16250,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44452,16251,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44452,16251,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44452,16251,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44470,16252,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44470,16252,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44470,16252,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44491,16253,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44491,16253,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44491,16253,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1.0,,,,,,,,,,44510,16254,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,44510,16254,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,44533,16255,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44533,16255,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,44533,16255,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,44533,16255,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,44552,16256,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,44552,16256,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,44552,16256,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,44566,16257,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,44566,16257,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,44566,16257,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44590,16258,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44590,16258,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44590,16258,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44610,16259,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,44610,16259,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,44626,16260,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44626,16260,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,44626,16260,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,44646,16261,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,44646,16261,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,44646,16261,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44661,16262,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44661,16262,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44661,16262,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,44678,16263,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,44678,16263,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,44678,16263,1
C,13,DSS,methyl protons,,,,,ppm,45,,indirect,0.251449530,,,,,,,,,,44696,16264,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000,,,,,,,,,,44696,16264,1
N,15,DSS,methyl protons,,,,,ppm,118,,indirect,0.101329118,,,,,,,,,,44696,16264,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,44714,16265,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,44714,16265,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,44714,16265,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,44742,16266,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,44742,16266,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,44742,16266,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44773,16267,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44773,16267,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44773,16267,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,44793,16268,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,44808,16269,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44808,16269,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44808,16269,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,44838,16270,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,44838,16270,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,44838,16270,1
H,1,DSS,methyl proton,,,,,ppm,0,internal,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,44855,16271,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,44882,16272,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44882,16272,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,44882,16272,1
H,1,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,44900,16273,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00,,,,,,,,,,44915,16274,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,44915,16274,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,44933,16275,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,44933,16275,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,44933,16275,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,44960,16276,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,44960,16276,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,44960,16276,1
C,13,dioxane,methyl carbon,,,,,ppm,69.4,external,direct,1.0,,,,,,,,,,44982,16277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,44982,16277,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,44982,16277,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,45007,16278,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,45007,16278,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,45007,16278,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45023,16279,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45023,16279,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45023,16279,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45038,16280,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45055,16281,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45070,16282,1
P,31,sodium phosphate,phosphorus,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,,,,45070,16282,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45095,16283,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45095,16283,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45095,16283,1
C,13,water,protons,,,,,ppm,4.582,internal,indirect,0.251449530,,,,,,,,,,45120,16284,1
H,1,water,protons,,,,,ppm,4.582,internal,direct,1,,,,,,,,,,45120,16284,1
N,15,water,protons,,,,,ppm,4.582,internal,indirect,0.101329118,,,,,,,,,,45120,16284,1
C,13,TIP-1,carbon,,,,,ppm,,internal,direct,1,,,,,,,,,,45135,16285,1
H,1,TIP-1,proton,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,45135,16285,1
N,15,TIP-1,nitrogen,,,,,ppm,,internal,direct,1,,,,,,,,,,45135,16285,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45150,16286,1
P,31,sodium phosphate,phosphorus,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,,,,45150,16286,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45167,16287,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45184,16288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45199,16289,1
P,31,sodium phosphate,phosphorus,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,,,,45199,16289,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45216,16290,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,45233,16291,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,45250,16292,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45265,16293,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,indirect,1.0,,,,,,,,,,45265,16293,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45265,16293,1
H,1,H2O,protons,,,,,ppm,4.80,internal,direct,1.0,internal,,,,,,,,,45285,16294,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,45307,16295,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,45307,16295,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,45307,16295,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,45322,16296,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,45322,16296,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,45322,16296,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,45337,16297,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,45337,16297,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,45337,16297,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45363,16298,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45363,16298,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45363,16298,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45382,16299,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45382,16299,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45382,16299,1
C,13,water,protons,,,,,ppm,4.868,internal,indirect,0.25144954,,,,,,,,,,45396,16300,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1,,,,,,,,,,45396,16300,1
N,15,water,protons,,,,,ppm,4.868,internal,indirect,0.10132900,,,,,,,,,,45396,16300,1
C,13,water,protons,,,,,ppm,4.868,internal,indirect,0.25144954,,,,,,,,,,45410,16301,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1,,,,,,,,,,45410,16301,1
N,15,water,protons,,,,,ppm,4.868,internal,indirect,0.10132900,,,,,,,,,,45410,16301,1
C,13,water,protons,,,,,ppm,4.771,internal,indirect,0.25144954,,,,,,,,,,45424,16302,1
H,1,water,protons,,,,,ppm,4.771,internal,direct,1,,,,,,,,,,45424,16302,1
N,15,water,protons,,,,,ppm,4.771,internal,indirect,0.10132900,,,,,,,,,,45424,16302,1
C,13,water,protons,,,,,ppm,4.771,internal,indirect,0.25144954,,,,,,,,,,45438,16303,1
H,1,water,protons,,,,,ppm,4.771,internal,direct,1,,,,,,,,,,45438,16303,1
N,15,water,protons,,,,,ppm,4.771,internal,indirect,0.10132900,,,,,,,,,,45438,16303,1
C,13,water,protons,,,,,ppm,4.771,internal,indirect,0.25144954,,,,,,,,,,45452,16304,1
H,1,water,protons,,,,,ppm,4.771,internal,direct,1,,,,,,,,,,45452,16304,1
N,15,water,protons,,,,,ppm,4.771,internal,indirect,0.10132900,,,,,,,,,,45452,16304,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,45469,16305,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45497,16306,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45497,16306,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45497,16306,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45531,16307,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45531,16307,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45531,16307,1
C,13,TSP,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,45552,16309,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,45552,16309,1
N,15,TSP,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,45552,16309,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,45567,16310,1
H,1,TSP,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,45567,16310,1
N,15,TSP,methyl carbons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,45567,16310,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45585,16311,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45585,16311,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45585,16311,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45612,16312,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45612,16312,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45612,16312,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,45637,16313,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,45637,16313,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,45637,16313,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,45655,16314,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45676,16315,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45676,16315,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45676,16315,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45697,16316,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45697,16316,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45697,16316,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45721,16317,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45721,16317,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45721,16317,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45742,16318,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45742,16318,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45742,16318,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45757,16319,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45757,16319,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45757,16319,1
H,,CD3COOH,residual CD2H,,,,,ppm,2.03,,,,,,,1,entry_citation,,,1,entry_citation,45770,1632,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45787,16320,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45787,16320,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45787,16320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,45804,16321,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45804,16321,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,45804,16321,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,45825,16322,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.00000000,,,,,,,,,,45825,16322,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132911,,,,,,,,,,45825,16322,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45840,16323,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45858,16325,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45858,16325,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45858,16325,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,magic angle,,,,,,,45878,16327,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,magic angle,,,,,,,45878,16327,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45892,16328,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,45892,16328,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45892,16328,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45908,16329,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45908,16329,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45908,16329,1
H,,CD3COOH,residual CD2H,,,,,ppm,2.03,,,,,,,1,entry_citation,,,1,entry_citation,45921,1633,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45936,16330,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45936,16330,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45936,16330,1
H,1,TMS,methyl protons,,,,,ppm,0.1,internal,direct,1.0,,,,,,,,,,45950,16332,1
H,1,TMS,methyl protons,,,,,ppm,0.1,internal,direct,1.000000000,,,,,,,,,,45964,16333,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,45978,16334,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,45978,16334,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,45978,16334,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,45995,16335,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,45995,16335,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,45995,16335,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46017,16336,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46017,16336,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46017,16336,1
C,13,DSS,protons,,,,,ppm,0,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,46036,16337,1
N,15,DSS,protons,,,,,ppm,0,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,46036,16337,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,46060,16338,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46060,16338,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,46060,16338,1
C,13,water,protons,,,,,ppm,4.733,internal,indirect,0.25144954,,,,,,,,,,46083,16339,1
H,1,water,protons,,,,,ppm,4.733,internal,direct,1,,,,,,,,,,46083,16339,1
N,15,water,protons,,,,,ppm,4.733,internal,indirect,0.10132900,,,,,,,,,,46083,16339,1
C,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,46096,1634,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,46096,1634,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,46096,1634,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,46114,16340,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46114,16340,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,46114,16340,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,46130,16341,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,46130,16341,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,46130,16341,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46148,16342,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46148,16342,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46148,16342,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,46169,16343,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46192,16344,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46192,16344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46192,16344,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46216,16345,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46216,16345,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46216,16345,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46236,16347,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46236,16347,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46236,16347,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,46263,16348,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46263,16348,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,46263,16348,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,46288,16349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,46288,16349,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,46288,16349,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,46301,1635,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,46320,16350,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,46320,16350,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46341,16352,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46341,16352,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46341,16352,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46365,16353,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46365,16353,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46365,16353,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46388,16354,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46388,16354,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46388,16354,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,46423,16355,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,46423,16355,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,46423,16355,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46438,16356,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,citations,,,1,citations,46470,16357,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0000,,,,1,citations,,,1,citations,46470,16357,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,citations,,,1,citations,46470,16357,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46484,16359,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46484,16359,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,46505,16360,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,46505,16360,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,46505,16360,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,46532,16361,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46532,16361,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,46532,16361,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,46548,16362,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000,,,,,,,,,,46548,16362,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,46548,16362,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46563,16363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46563,16363,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46563,16363,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46589,16364,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46589,16364,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46589,16364,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46614,16365,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46614,16365,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46614,16365,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46635,16366,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46635,16366,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46635,16366,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,46653,16367,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,46653,16367,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,46653,16367,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,46681,16368,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46681,16368,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,46681,16368,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,other,,,,,,,,,46710,16370,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,,,,,,,,,46710,16370,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,other,,,,,,,,,46710,16370,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46736,16371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46736,16371,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46736,16371,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46762,16372,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46762,16372,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46762,16372,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,46762,16372,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46791,16373,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46791,16373,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46791,16373,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46816,16374,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46816,16374,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46816,16374,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46843,16375,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46843,16375,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46843,16375,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,46873,16376,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46873,16376,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,46873,16376,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,46903,16377,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,46903,16377,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,46903,16377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46927,16378,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46927,16378,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46927,16378,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,46946,16379,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,46946,16379,1
N,15,TSP,nitrogen,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,46946,16379,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,46959,1638,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,46981,16380,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,46981,16380,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,46981,16380,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,46995,16381,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,46995,16381,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,46995,16381,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,47025,16382,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47025,16382,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,47025,16382,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,47050,16384,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47050,16384,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,47050,16384,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,47090,16385,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47090,16385,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,47090,16385,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,47118,16386,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47118,16386,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,47118,16386,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,47152,16387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47152,16387,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,47152,16387,1
H,1,water,protons,,,,,ppm,4.783,internal,direct,1.0,,,,,,,,,,57443,16909,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,47172,16388,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,47172,16388,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,47172,16388,1
C,13,water,protons,,,,,ppm,4.607,internal,indirect,0.2514508431572067088596855732873791566817,,,,,,,,,,47192,16389,1
H,1,water,protons,,,,,ppm,4.607,internal,direct,1.00000000000,,,,,,,,,,47192,16389,1
N,15,water,protons,,,,,ppm,4.607,internal,indirect,0.1013291102666951859414146835947079239304,,,,,,,,,,47192,16389,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,47205,1639,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,47227,16390,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47227,16390,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,47227,16390,1
C,13,adamantane,methylene carbon,,,,,ppm,38.56,external,direct,1.00000,,,,,,,,,,47253,16391,1
N,15,adamantane,methylene carbon,,,,,ppm,38.56,external,indirect,0.40298,,,,,,,,,,47253,16391,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,47273,16392,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,47273,16392,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,47273,16392,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,47298,16393,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,47298,16393,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,47298,16393,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,47314,16394,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,47314,16394,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,47329,16395,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,47329,16395,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,47329,16395,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,47348,16396,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47348,16396,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,47348,16396,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0000,,,,,,,,,,47366,16397,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,47382,16398,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47382,16398,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,47382,16398,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47398,16399,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,47411,1640,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,47438,16400,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,47438,16400,1
N,15,Internal Standard (POG10),nitrogen,,,,,ppm,106.6,internal,direct,1.0,,,,,,,,,,47438,16400,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,47455,16401,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,47455,16401,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,47455,16401,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0000,,,,,,,,,,47473,16402,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,47493,16403,1
H,1,water,protons,,,,,ppm,4.71,internal,direct,1,,,,,,,,,,47493,16403,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,47493,16403,1
C,13,water,protons,,,,,ppm,4.80,internal,indirect,0.251449530,,,,,,,,,,47511,16404,1
H,1,water,protons,,,,,ppm,4.80,internal,direct,1.000000000,,,,,,,,,,47511,16404,1
N,15,water,protons,,,,,ppm,4.80,internal,indirect,0.101329118,,,,,,,,,,47511,16404,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144,,,,,,,,,,47529,16405,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,47529,16405,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.10132,,,,,,,,,,47529,16405,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,47548,16406,1
H,1,water,protons,,,,,ppm,4.71,internal,direct,1,,,,,,,,,,47548,16406,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,47548,16406,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000,,,,,,,,,,47562,16407,1
C,13,TMS,methyl carbon,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,47585,16408,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,47585,16408,1
N,15,ammonium chloride,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,47585,16408,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,47609,16409,1
F,19,trichlorofluoromethane,methyl fluorine,,,,,ppm,0.0,na,indirect,0.94094008,,,,1,citation_1,,,1,citation_1,47609,16409,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,47609,16409,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,47609,16409,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,47627,16411,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47627,16411,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,47627,16411,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,47644,16412,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47644,16412,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,47644,16412,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,47660,16413,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,47660,16413,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,47660,16413,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,47785,1642,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,,,,,,,,,47882,16424,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,47882,16424,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,other,,,,,,,,,47882,16424,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,47909,16425,1
H,1,water,protons,,,,,ppm,4.71,internal,direct,1.000000000,,,,,,,,,,47909,16425,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,47909,16425,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,47932,16426,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,47932,16426,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,47932,16426,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.2514495270,,,,,,,,,,47960,16428,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0000000000,,,,,,,,,,47960,16428,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013291180,,,,,,,,,,47960,16428,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,47975,1643,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,47995,16430,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,47995,16430,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,47995,16430,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48026,16431,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,48026,16431,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48026,16431,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,48045,16435,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,48064,16436,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,48083,16437,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,48102,16438,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48123,16439,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,indirect,1.000000000,,,,,,,,,,48123,16439,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48123,16439,1
C,13,dioxane,methylene carbons,,,,,ppm,69.4,external,direct,1.000000000,,,,,,,,,,48146,16440,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48146,16440,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48146,16440,1
C,13,dioxane,methylene carbons,,,,,ppm,69.4,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,48171,16441,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,48171,16441,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,48171,16441,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,48188,16442,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48188,16442,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48188,16442,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48208,16443,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,48230,16444,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48230,16444,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48230,16444,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48245,16445,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48245,16445,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48245,16445,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,48259,16446,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48259,16446,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48259,16446,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,48273,16447,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,48273,16447,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,48273,16447,1
C,13,Adamantane,methylene carbon,,,,,ppm,40.48,external,direct,1.000000000,,,,,,,,,,48290,16448,1
N,15,Adamantane,methylene carbon,,,,,ppm,40.48,external,indirect,0.101329118,,,,,,,,,,48290,16448,1
C,13,water,protons,,,,,ppm,0,na,direct,,,,,,,,,,,48308,16449,1
H,1,water,protons,,,,,ppm,0,external,direct,1,,,,,,,,,,48308,16449,1
N,15,water,protons,,,,,ppm,0,na,direct,,,,,,,,,,,48308,16449,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,48323,16450,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48323,16450,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48323,16450,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,48341,16451,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,48341,16451,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,48341,16451,1
H,1,water,protons,,,,,ppm,4.928,internal,direct,1.0,,,,,,,,,,48356,16452,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,48534,1646,1
N,,[15N](NH4)2SO4,,,,,,ppm,22.3,,,,,,,1,entry_citation,,,1,entry_citation,48534,1646,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144954,,,,,,,,,,48605,16463,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,48605,16463,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.10132900,,,,,,,,,,48605,16463,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,1,citation_1,,,1,citation_1,48627,16464,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,48627,16464,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,48627,16464,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,48649,16465,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,48649,16465,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,48649,16465,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.0,,,,,,,,,,48663,16466,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,48663,16466,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48680,16467,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48698,16468,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48698,16468,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48698,16468,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,48743,1647,1
N,,[15N](NH4)2SO4,,,,,,ppm,22.3,,,,,,,1,entry_citation,,,1,entry_citation,48743,1647,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48759,16470,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48759,16470,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48759,16470,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48774,16471,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48774,16471,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48774,16471,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,48795,16472,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48795,16472,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48795,16472,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48817,16473,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48817,16473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48817,16473,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48838,16475,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48838,16475,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48838,16475,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,48865,16476,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48865,16476,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,48865,16476,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,48886,16477,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,48902,16478,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,48902,16478,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,48902,16478,1
C,13,water,protons,,,,,ppm,4.868,internal,indirect,0.251449530,,,,,,,,,,48918,16479,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1,,,,,,,,,,48918,16479,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,48931,1648,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,48952,16480,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,48952,16480,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48952,16480,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,48980,16481,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,48980,16481,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,48980,16481,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49002,16482,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,49002,16482,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49002,16482,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49032,16483,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,49032,16483,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49032,16483,1
H,1,water,protons,,,,,ppm,4.958,internal,direct,1.0,,,,,,,,,,49053,16484,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,49073,16485,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49073,16485,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,49073,16485,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,49107,16486,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49107,16486,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,49107,16486,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,external,indirect,0.25144952,,,,,,,,,,49126,16487,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,49126,16487,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,49126,16487,1
H,1,water,protons,,,,,ppm,,,,1.0,,,,,,,,,,49140,16489,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,49153,1649,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49175,16490,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49175,16490,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49175,16490,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,49175,16490,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,49199,16491,1
H,1,DSS,protons,,,,,ppm,4.71,internal,direct,1.000000000,,,,,,,,,,49199,16491,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,49199,16491,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49224,16492,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49224,16492,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49224,16492,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49243,16493,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49259,16494,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,49274,16495,1
C,13,water,protons,,,,,ppm,,external,indirect,0.25144952,,,,,,,,,,49297,16496,1
H,1,water,protons,,,,,ppm,4.23,internal,direct,1.0,,,,,,,,,,49297,16496,1
N,15,water,protons,,,,,ppm,,external,indirect,0.10132905,,,,,,,,,,49297,16496,1
C,13,water,protons,,,,,ppm,4.742,internal,indirect,0.25144954,,,,,,,,,,49313,16497,1
H,1,water,protons,,,,,ppm,4.742,internal,direct,1,,,,,,,,,,49313,16497,1
N,15,water,protons,,,,,ppm,4.742,internal,indirect,0.10132900,,,,,,,,,,49313,16497,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,49356,16498,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,49356,16498,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,49356,16498,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,49374,16499,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,49374,16499,1
N,15,DSS,nitrogen,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,49374,16499,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,49387,1650,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,49401,16500,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,49401,16500,1
N,15,DSS,nitrogen,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,49401,16500,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,49415,16501,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,49415,16501,1
N,15,DSS,nitrogen,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,49415,16501,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49433,16502,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49450,16503,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49450,16503,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49450,16503,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,49467,16504,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,49486,16505,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,49486,16505,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,49486,16505,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,49503,16506,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,49503,16506,1
N,15,DSS,nitrogen,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,49503,16506,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49524,16507,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49524,16507,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49524,16507,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49540,16508,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49540,16508,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49540,16508,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49559,16509,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,49559,16509,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49559,16509,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,49572,1651,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49590,16510,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49590,16510,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49590,16510,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49605,16511,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49620,16512,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49620,16512,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49620,16512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49637,16514,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49637,16514,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49637,16514,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49658,16515,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49658,16515,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49658,16515,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,49673,16516,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,1,entry_citation,,,1,entry_citation,49673,16516,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,49673,16516,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,49693,16517,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49693,16517,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,49693,16517,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,49708,16518,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49708,16518,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,49708,16518,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49728,16519,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49728,16519,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49728,16519,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,49741,1652,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49760,16520,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49760,16520,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49760,16520,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49787,16521,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49787,16521,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49787,16521,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49807,16522,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49808,16522,2
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,49828,16523,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,49828,16523,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,49828,16523,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,49849,16524,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,49849,16524,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,49849,16524,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,49868,16525,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.000000000,,,,,,,,,,49868,16525,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,49868,16525,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,49889,16526,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.000000000,,,,,,,,,,49889,16526,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,49889,16526,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,49908,16527,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,49908,16527,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,49908,16527,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,49927,16528,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,49927,16528,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,49927,16528,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49944,16529,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49944,16529,1
N,15,DSS,nitrogen,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49944,16529,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,49957,1653,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49974,16530,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49974,16530,1
N,15,DSS,nitrogen,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49974,16530,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49991,16531,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49991,16531,1
N,15,DSS,nitrogen,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,49991,16531,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,50008,16532,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,50008,16532,1
N,15,DSS,nitrogen,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,50008,16532,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,50025,16533,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,50025,16533,1
N,15,DSS,nitrogen,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,50025,16533,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,direct,1.0,,,,,,,,,,50039,16534,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,50039,16534,1
N,15,DSS,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,50039,16534,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50055,16536,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50055,16536,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50055,16536,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,50073,16537,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,50073,16537,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,50073,16537,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,50094,16538,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50094,16538,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,50094,16538,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50112,16539,1
H,,DMSO-d6,residual,,,,,ppm,2.5,,,,,,,1,entry_citation,,,1,entry_citation,50126,1654,1
,,CD2H,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,50126,1654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50144,16540,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,50159,16541,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,50159,16541,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,50159,16541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,50175,16542,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50175,16542,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,50175,16542,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,50189,16543,1
N,15,water,protons,,,,,ppm,4.82,internal,indirect,0.101329118,,,,,,,,,,50189,16543,1
C,13,TMS,methyl carbons,,,,,ppm,67.83,external,direct,1.0,,,,,,,,,,50207,16544,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,50207,16544,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.93,external,direct,1.0,,,,,,,,,,50207,16544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50229,16545,1
H,1,DSS,methyl protons,,,,,ppm,-0.07,external,direct,1.000,,,,,,,,,,50229,16545,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50229,16545,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,50246,16546,1
N,15,water,protons,,,,,ppm,4.82,internal,indirect,0.101329118,,,,,,,,,,50246,16546,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,50260,16547,1
N,15,water,protons,,,,,ppm,4.82,internal,indirect,0.101329118,,,,,,,,,,50260,16547,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,50274,16548,1
N,15,water,protons,,,,,ppm,4.82,internal,indirect,0.101329118,,,,,,,,,,50274,16548,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,50296,16549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50296,16549,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,50296,16549,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,50313,1655,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,50327,16550,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,50342,16551,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50361,16555,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50361,16555,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50361,16555,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,50402,16556,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,50402,16556,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,50402,16556,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50429,16557,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50429,16557,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50429,16557,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50453,16558,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50453,16558,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50453,16558,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50475,16559,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50475,16559,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50475,16559,1
H,,H2O/HDO,,,,,,ppm,5.03,,,,,,,1,entry_citation,,,1,entry_citation,50489,1656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,,,,,,,,,50513,16560,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,,,,,,,,,50513,16560,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,other,,,,,,,,,50513,16560,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50554,16561,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50554,16561,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50554,16561,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50590,16562,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50590,16562,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50590,16562,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,50613,16563,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,50613,16563,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,50613,16563,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50637,16564,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50637,16564,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50637,16564,1
C,13,DSS,methyl carbon,,,,,ppm,40.26,internal,direct,1.0,,,,,,,,,,50654,16565,1
N,15,DSS,methyl carbon,,,,,ppm,40.26,internal,indirect,0.40297969151024825976999280014533,,,,,,,,,,50654,16565,1
C,13,DSS,methyl carbon,,,,,ppm,40.26,internal,direct,1.0,,,,,,,,,,50673,16566,1
N,15,DSS,methyl carbon,,,,,ppm,40.26,internal,indirect,0.40297969151024825976999280014533,,,,,,,,,,50673,16566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,50688,16567,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50688,16567,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,50688,16567,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,50688,16567,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50708,16568,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50708,16568,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50708,16568,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50736,16569,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50736,16569,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50736,16569,1
C,,TMS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,50752,1657,1
H,,TMS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,50752,1657,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,50752,1657,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50776,16570,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50776,16570,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50776,16570,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50792,16571,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50792,16571,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50792,16571,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,citations,,,1,citations,50834,16572,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citations,,,1,citations,50834,16572,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,citations,,,1,citations,50834,16572,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50854,16574,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50854,16574,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50854,16574,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50873,16575,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50873,16575,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50873,16575,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50894,16576,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50894,16576,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50894,16576,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,50913,16577,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,50913,16577,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,50913,16577,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,50940,16578,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,50940,16578,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,50940,16578,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,50982,1658,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,51170,16585,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51170,16585,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,51170,16585,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51185,16586,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51185,16586,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51185,16586,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51207,16587,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51207,16587,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51223,16588,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51223,16588,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51223,16588,1
H,1,DSS,methyl hydrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,51238,16589,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51259,16590,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51259,16590,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51259,16590,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51273,16591,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51273,16591,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51302,16592,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51302,16592,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51302,16592,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51320,16593,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51320,16593,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51320,16593,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51345,16594,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51345,16594,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51345,16594,1
C,13,adamantane,methylene carbon,,,,,ppm,40.5,external,direct,1.0000,,,,,,,,,,51362,16595,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,51383,16596,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,51383,16596,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,51383,16596,1
C,13,adamantane,methylene carbon,,,,,ppm,40.5,external,direct,1.0,,,,,,,,,,51398,16597,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,51423,16598,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,51423,16598,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,51423,16598,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,51440,16599,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51440,16599,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,51440,16599,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,51453,1660,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,51469,16600,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51469,16600,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,51469,16600,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51487,16601,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51487,16601,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,51502,16602,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,51502,16602,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,51502,16602,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51525,16603,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51525,16603,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51525,16603,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,51551,16604,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.00000000,,,,1,entry_citation,,,1,entry_citation,51551,16604,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,51551,16604,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1.0,,,,,,,,,,51573,16605,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51592,16606,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51592,16606,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51592,16606,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51611,16607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51611,16607,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51611,16607,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,51628,16608,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,51628,16608,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,51628,16608,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,51654,16609,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,51654,16609,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.10132911,,,,,,,,,,51654,16609,1
P,31,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.404808636,,,,,,,,,,51654,16609,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,51668,1661,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51687,16610,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51687,16610,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51687,16610,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51710,16611,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51710,16611,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51710,16611,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,51734,16612,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,51734,16612,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51756,16613,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51756,16613,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51756,16613,1
C,13,water,protons,,,,,ppm,4.9445,na,indirect,0.251449453,,,,,,,,,,51773,16614,1
H,1,water,protons,,,,,ppm,4.9445,internal,direct,1.0,,,,,,,,,,51773,16614,1
N,15,water,protons,,,,,ppm,4.9445,na,indirect,0.101329118,,,,,,,,,,51773,16614,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51791,16615,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51791,16615,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51791,16615,1
C,13,water,protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,51805,16616,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,51805,16616,1
N,15,water,protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,51805,16616,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,51824,16617,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51824,16617,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,51824,16617,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51838,16618,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51838,16618,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51838,16618,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,51857,16619,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,51857,16619,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,51857,16619,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,51870,1662,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51891,16620,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51891,16620,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51891,16620,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,citations,,,1,citations,51908,16621,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,citations,,,1,citations,51908,16621,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,citations,,,1,citations,51908,16621,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51924,16622,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51924,16622,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51924,16622,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51944,16623,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51944,16623,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51944,16623,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,51944,16623,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,51961,16624,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,51961,16624,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,51961,16624,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51977,16626,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51977,16626,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51977,16626,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,51994,16627,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,51994,16627,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,51994,16627,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52013,16628,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52013,16628,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52013,16628,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,52029,16629,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,52029,16629,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132918,,,,,,,,,,52029,16629,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,52042,1663,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,52042,1663,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52059,16630,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52059,16630,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52059,16630,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52091,16632,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,52091,16632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52091,16632,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,52117,16633,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52134,16634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52134,16634,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,52156,16635,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,52156,16635,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,52156,16635,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52178,16636,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52178,16636,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52178,16636,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52197,16637,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52197,16637,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,na,direct,1.0,,,,,,,,,,52197,16637,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52217,16638,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52217,16638,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52217,16638,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52239,16639,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52239,16639,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52239,16639,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,52254,1664,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52277,16640,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52277,16640,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52277,16640,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,52277,16640,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52294,16641,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52294,16641,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52294,16641,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52310,16642,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52310,16642,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52310,16642,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52325,16643,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52325,16643,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52325,16643,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52345,16646,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52345,16646,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52345,16646,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,52394,16647,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,52394,16647,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,52394,16647,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,52439,16648,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,52439,16648,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,52439,16648,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52464,16649,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52464,16649,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52464,16649,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,52464,16649,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,52480,1665,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52504,16652,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52504,16652,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52504,16652,1
C,13,water,protons,,,,,ppm,4.808,internal,indirect,0.251449530,,,,,,,,,,52522,16653,1
H,1,water,protons,,,,,ppm,4.808,internal,direct,1,,,,,,,,,,52522,16653,1
N,15,water,protons,,,,,ppm,4.808,internal,indirect,0.101329118,,,,,,,,,,52522,16653,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,52546,16654,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,52570,16655,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52597,16656,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52597,16656,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52597,16656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52642,16657,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52642,16657,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52642,16657,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52665,16658,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52665,16658,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52665,16658,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52707,16659,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52707,16659,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52707,16659,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,52722,1666,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52739,16660,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52756,16661,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52756,16661,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52756,16661,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52781,16662,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52781,16662,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52781,16662,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,52798,16663,1
C,13,water,protons,,,,,ppm,4.80,internal,indirect,0.251449530,,,,,,,,,,52814,16664,1
H,1,water,protons,,,,,ppm,4.80,internal,direct,1.0,,,,,,,,,,52814,16664,1
N,15,water,protons,,,,,ppm,4.80,internal,indirect,0.101329118,,,,,,,,,,52814,16664,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,52841,16665,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52841,16665,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,52841,16665,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52857,16666,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52857,16666,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52857,16666,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52872,16667,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,52872,16667,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52872,16667,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,RhoA-GDP,,,1,RhoA-GDP,52891,16668,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,RhoA-GDP,,,1,RhoA-GDP,52891,16668,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,RhoA-GDP,,,1,RhoA-GDP,52891,16668,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52911,16669,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52911,16669,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52911,16669,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52926,16670,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52926,16670,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52926,16670,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,52946,16671,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,52946,16671,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,52946,16671,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,52964,16672,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,52964,16672,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,52964,16672,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,52979,16673,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,52979,16673,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,52979,16673,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53001,16674,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53022,16675,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,53022,16675,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53022,16675,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,53036,16676,1
H,1,water,protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,53036,16676,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,53036,16676,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,53055,16677,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53055,16677,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,53077,16678,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53077,16678,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,53077,16678,1
H,1,H2O,protons,,,,,ppm,4.695,internal,direct,1.000000000,,,,,,,,,,53091,16679,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53105,16680,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53105,16680,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53105,16680,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53130,16681,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53130,16681,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53130,16681,1
C,13,TMP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,53153,16682,1
H,1,TMP,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,53153,16682,1
N,15,TMP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,53153,16682,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53172,16683,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53172,16683,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53172,16683,1
C,13,TSP,methyl carbons,,,,,ppm,-0.1,external,direct,0.25144954,,,,,,,,,,53193,16684,1
H,1,TSP,methyl protons,,,,,ppm,-0.01,external,direct,1,,,,,,,,,,53193,16684,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329112,,,,,,,,,,53193,16684,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,direct,0.25144954,,,,,,,,,,53224,16685,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,53224,16685,1
N,15,water,protons,,,,,ppm,4.727517028,internal,indirect,0.101329,,,,,,,,,,53224,16685,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,53249,16686,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53249,16686,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,53249,16686,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,53270,16687,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,53270,16687,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,53270,16687,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,SH3_family,,,1,SH3_family,53323,16688,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,SH3_family,,,1,SH3_family,53323,16688,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,SH3_family,,,1,SH3_family,53323,16688,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53346,16689,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53346,16689,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53346,16689,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,53359,1669,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53373,16690,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53373,16690,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53373,16690,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53421,16691,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53421,16691,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53421,16691,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53445,16692,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53445,16692,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53445,16692,1
C,13,methanol,protons,,,,,ppm,39.00,na,indirect,0.251449530,,,,,,,,,,53463,16693,1
H,1,methanol,protons,,,,,ppm,3.300,na,indirect,1.0,,,,,,,,,,53463,16693,1
N,15,methanol,protons,,,,,ppm,118.0,na,indirect,0.101329118,,,,,,,,,,53463,16693,1
H,1,water,protons,,,,,ppm,4.79,external,direct,1.0,,,,,,,,,,53484,16694,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,53512,16695,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,53512,16695,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.0,na,direct,1.0,,,,,,,,,,53512,16695,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,53527,16696,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53527,16696,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,53527,16696,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,53541,16697,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53541,16697,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,53541,16697,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,53557,16698,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,53557,16698,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,53557,16698,1
H,1,TFE,methylene protons,,,,,ppm,3.88,internal,direct,1,,,,,,,,,,53574,16699,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,53587,1670,1
H,1,TFE,methylene protons,,,,,ppm,3.88,internal,direct,1,,,,,,,,,,53603,16700,1
C,13,water,protons,,,,,ppm,4.42,internal,indirect,0.25144,,,,,,,,,,53619,16701,1
H,1,water,protons,,,,,ppm,4.42,internal,direct,1,,,,,,,,,,53619,16701,1
N,15,water,protons,,,,,ppm,4.42,internal,indirect,0.10133,,,,,,,,,,53619,16701,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53637,16703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53637,16703,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53637,16703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53655,16704,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53673,16705,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53673,16705,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53673,16705,1
C,13,water,protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,53688,16706,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,53688,16706,1
N,15,water,protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,53688,16706,1
C,13,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,53709,16707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,53709,16707,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,53725,16708,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53725,16708,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,53725,16708,1
C,13,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,53746,16709,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,53746,16709,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53761,16710,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53761,16710,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53761,16710,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53780,16711,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53780,16711,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53780,16711,1
C,13,water,protons,,,,,ppm,4.689,internal,indirect,0.25144953,,,,,,,,,,53794,16712,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1.0,,,,,,,,,,53794,16712,1
N,15,water,protons,,,,,ppm,4.689,internal,indirect,0.1013291,,,,,,,,,,53794,16712,1
C,13,water,protons,,,,,ppm,4.689,internal,indirect,0.25144953,,,,,,,,,,53808,16713,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1,,,,,,,,,,53808,16713,1
N,15,water,protons,,,,,ppm,4.689,internal,indirect,0.1013291,,,,,,,,,,53808,16713,1
H,1,water,protons,,,,,ppm,5.017,internal,direct,1.000000000,,,,,,temperature,,,,53835,16714,1
N,15,water,protons,,,,,ppm,5.017,internal,indirect,0.101329118,,,,,,temperature,,,,53835,16714,1
C,13,water,protons,,,,,ppm,4.785,internal,indirect,0.251449530,,,,,,temperature,,,,53836,16714,2
H,1,water,protons,,,,,ppm,4.785,internal,direct,1.000000000,,,,,,temperature,,,,53836,16714,2
N,15,water,protons,,,,,ppm,4.785,internal,indirect,0.101329118,,,,,,temperature,,,,53836,16714,2
P,31,water,protons,,,,,ppm,4.785,internal,indirect,0.404808636,,,,,,temperature,,,,53836,16714,2
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53858,16715,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53858,16715,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53858,16715,1
C,13,water,protons,,,,,ppm,4.63,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,53875,16716,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,53875,16716,1
N,15,water,protons,,,,,ppm,4.63,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,53875,16716,1
C,13,water,protons,,,,,ppm,4.63,na,indirect,0.251449530,,,,,,,,,,53892,16717,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,53892,16717,1
N,15,water,protons,,,,,ppm,4.63,na,indirect,0.101329118,,,,,,,,,,53892,16717,1
C,13,water,protons,,,,,ppm,4.63,na,indirect,0.251449530,,,,,,,,,,53909,16718,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,53909,16718,1
N,15,water,protons,,,,,ppm,4.63,na,indirect,0.101329118,,,,,,,,,,53909,16718,1
C,13,TSP-d4,methyl protons,1,mM,90%H2O+10%D2O,,ppm,0.011,internal,,0.10132913,,,,,,,,,,53928,16719,1
H,1,TSP-d4,methyl protons,1,mM,90%H2O+10%D2O,,ppm,0.1,internal,,1.0,,,,,,,,,,53928,16719,1
N,15,TSP-d4,methyl protons,1,mM,90%H2O+10%D2O,,ppm,0.024,internal,,0.25145023,,,,,,,,,,53928,16719,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,53941,1672,1
N,,external [15]NH4Cl,,,,,,,24.93,,,,,,,1,entry_citation,,,1,entry_citation,53941,1672,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,53957,16720,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,53957,16720,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,53957,16720,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,53979,16721,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,53979,16721,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,53979,16721,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,53995,16722,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,53995,16722,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,53995,16722,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,54011,16723,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,54011,16723,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,54011,16723,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54025,16726,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54025,16726,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54041,16727,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54041,16727,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54057,16729,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54057,16729,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54057,16729,1
H,,TSP,,,,,,,0,,,,,,,,,,,,,54070,1673,1
N,,liquid ammonia,,,,,,,0,,,,,,,,,,,,,54070,1673,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,citations,,,1,citations,54086,16731,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,54086,16731,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,citations,,,1,citations,54086,16731,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54102,16732,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54102,16732,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54102,16732,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54118,16733,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54118,16733,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54118,16733,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54134,16734,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54134,16734,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54134,16734,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,54148,16735,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54148,16735,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,54148,16735,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,54168,16736,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54168,16736,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,54168,16736,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54190,16737,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54190,16737,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54190,16737,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54213,16738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54213,16738,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54213,16738,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54227,16739,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54227,16739,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54227,16739,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,54240,1674,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,54257,16740,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,54257,16740,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,54274,16741,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,54274,16741,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,54274,16741,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54288,16742,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54288,16742,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54288,16742,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54309,16743,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54309,16743,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54309,16743,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54338,16744,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54338,16744,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54338,16744,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,54355,16745,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,54355,16745,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54378,16746,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54378,16746,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54378,16746,1
C,13,water,protons,,,,,ppm,4.29,internal,indirect,0.2514502006,,,,,,,,,,54397,16747,1
H,1,water,protons,,,,,ppm,4.29,internal,direct,1.0,,,,,,,,,,54397,16747,1
N,15,water,protons,,,,,ppm,4.29,internal,indirect,0.1013291196,,,,,,,,,,54397,16747,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,,,,,,,,,,,54411,16748,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,54411,16748,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,,,,,,,,,,,54411,16748,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,54426,16749,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,54426,16749,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,54426,16749,1
H,,H2O/HDO,,,,,,ppm,4.65,,,,,,,1,entry_citation,,,1,entry_citation,54439,1675,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54458,16750,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54458,16750,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54458,16750,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,54632,1676,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54720,16764,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54720,16764,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54720,16764,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,54736,16766,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54736,16766,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,54736,16766,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,54751,16767,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,54751,16767,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,54751,16767,1
C,13,dioxane,methylene carbon,,,,,ppm,67.4,internal,direct,1.0,,,,,,,,,,54766,16768,1
H,1,TSP,methyl hydrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,54766,16768,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,54766,16768,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,54782,16769,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,54796,1677,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54820,16770,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54820,16770,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54820,16770,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,54839,16771,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,54839,16771,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,54839,16771,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54858,16772,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54858,16772,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54858,16772,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54877,16773,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54877,16773,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54877,16773,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,54898,16774,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54898,16774,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,54898,16774,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54917,16777,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54917,16777,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54917,16777,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54941,16778,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54941,16778,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54941,16778,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,54960,16779,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54978,16780,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54978,16780,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54978,16780,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,54992,16781,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,54992,16781,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,54992,16781,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55040,16782,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55040,16782,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55040,16782,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55060,16783,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55060,16783,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55060,16783,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55079,16784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55098,16785,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55675,16811,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,55118,16786,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,1,,,1,1,55134,16787,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,1,,,1,1,55134,16787,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,1,,,1,1,55134,16787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55154,16788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55154,16788,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55154,16788,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.2514,,,,,,,,,,55172,16789,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,55172,16789,1
N,15,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.1013,,,,,,,,,,55172,16789,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,55198,16790,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55198,16790,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,55198,16790,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55224,16791,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55224,16791,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55224,16791,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55248,16792,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55248,16792,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55248,16792,1
C,13,DSS,protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,55287,16794,1
H,1,DSS,protons,,,,,ppm,0.0,external,direct,1.0000,,,,,,,,,,55287,16794,1
N,15,DSS,protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,55287,16794,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,55314,16795,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55314,16795,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,55314,16795,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,55342,16796,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55342,16796,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,55342,16796,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,55342,16796,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,55362,16797,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55362,16797,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,55362,16797,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,55377,16798,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,55377,16798,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,55377,16798,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,55392,16799,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,55392,16799,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,55392,16799,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,55407,16800,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,55407,16800,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,55407,16800,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55427,16801,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55427,16801,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55427,16801,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,55442,16802,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.000000000,,,,,,,,,,55442,16802,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,55442,16802,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55458,16803,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55458,16803,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55458,16803,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55474,16804,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55474,16804,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55474,16804,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55498,16805,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55498,16805,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55498,16805,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55536,16806,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55536,16806,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55536,16806,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55566,16807,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55566,16807,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55566,16807,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55597,16808,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55597,16808,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55597,16808,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55621,16809,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55621,16809,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55621,16809,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55646,16810,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55646,16810,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55646,16810,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55675,16811,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55675,16811,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55694,16812,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55694,16812,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55694,16812,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55718,16813,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55718,16813,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55718,16813,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55738,16814,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55738,16814,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55738,16814,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55757,16815,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55757,16815,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55757,16815,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55781,16816,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55781,16816,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55781,16816,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55800,16817,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55800,16817,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,55815,16818,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,55815,16818,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,55815,16818,1
H,1,water,protons,,,,,ppm,4.73,external,direct,1.0,,,,,,,,,,55831,16819,1
N,15,water,protons,,,,,ppm,4.73,external,indirect,0.101329118,,,,,,,,,,55831,16819,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,55904,16822,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,55904,16822,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,55904,16822,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55925,16824,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55925,16824,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55925,16824,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,55939,16831,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,55939,16831,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,55939,16831,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.25144953018,,,,,,,,,,55954,16832,1
H,1,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,55954,16832,1
N,15,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,55954,16832,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,55992,16833,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,55992,16833,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,55992,16833,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56023,16834,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56042,16835,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,56042,16835,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56042,16835,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,na,direct,1.00,,,,,,,,,,56057,16837,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.00,,,,,,,,,,56057,16837,1
N,15,ammonia,nitrogen,,,,,ppm,0.00,na,direct,1.00,,,,,,,,,,56057,16837,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,56073,16838,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56073,16838,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,56073,16838,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,56095,16839,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,56095,16839,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10132912,,,,,,,,,,56095,16839,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56114,16840,1
H,1,water,protons,,,,,ppm,4.7358,internal,direct,1.000,,,,,,,,,,56114,16840,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56114,16840,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,56136,16841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,56136,16841,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,56136,16841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56158,16842,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56158,16842,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,56178,16843,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,56178,16843,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,56178,16843,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56194,16845,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56194,16845,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56194,16845,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,56221,16846,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,56221,16846,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,56221,16846,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,56236,16847,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,56236,16847,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56250,16848,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56250,16848,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56250,16848,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56269,16849,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56269,16849,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,56284,16850,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,56284,16850,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,56284,16850,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56312,16851,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,56312,16851,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56312,16851,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,56340,16852,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56357,16853,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56357,16853,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56357,16853,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56374,16854,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,56390,16856,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56390,16856,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,56390,16856,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,56407,16857,1
C,13,water,methyl carbons,,,,,ppm,42,internal,indirect,1,,,,,,,,,,56432,16858,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1,,,,,,,,,,56432,16858,1
N,15,water,nitrogen,,,,,ppm,118,internal,indirect,1,,,,,,,,,,56432,16858,1
C,13,water,methyl carbon,,,,,ppm,42,internal,indirect,1,,,,,,,,,,56462,16859,1
H,1,water,methyl protons,,,,,ppm,4.73,internal,direct,1,,,,,,,,,,56462,16859,1
N,15,water,nitrogen,,,,,ppm,118,internal,indirect,1,,,,,,,,,,56462,16859,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,56518,16860,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,56518,16860,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,56518,16860,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,56546,16861,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,56546,16861,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,56546,16861,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56567,16862,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56567,16862,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56567,16862,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,56585,16863,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56585,16863,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,56585,16863,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56605,16864,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56605,16864,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56605,16864,1
C,13,water,methyl carbons,,,,,ppm,42,internal,direct,1,,,,,,,,,,56632,16865,1
H,1,water,methyl protons,,,,,ppm,4.73,internal,direct,1,,,,,,,,,,56632,16865,1
N,15,water,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,56632,16865,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,56651,16866,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,56651,16866,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,56665,16867,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,56665,16867,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56682,16868,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56682,16868,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56682,16868,1
C,13,water,protons,,,,,ppm,4.51,internal,indirect,0.251449530,,,,,,,,,,56699,16869,1
H,1,water,protons,,,,,ppm,4.51,internal,direct,1.0,,,,,,,,,,56699,16869,1
N,15,water,protons,,,,,ppm,4.51,internal,indirect,0.101329118,,,,,,,,,,56699,16869,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,56716,16870,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,56716,16870,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,56716,16870,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56739,16871,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56739,16871,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56739,16871,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,56764,16872,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,56764,16872,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,56764,16872,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,56784,16873,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,0.4,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,56784,16873,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,56802,16874,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,56802,16874,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,56802,16874,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56821,16876,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56821,16876,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56821,16876,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,56852,16877,1
C,13,water,protons,,,,,ppm,42,internal,direct,,,,,,,,,,,56870,16878,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1,,,,,,,,,,56870,16878,1
N,15,water,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,56870,16878,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56889,16879,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56889,16879,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56889,16879,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56915,16880,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56915,16880,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56915,16880,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56937,16881,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56937,16881,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56937,16881,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56952,16882,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56952,16882,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56952,16882,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,56970,16883,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,56970,16883,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,56970,16883,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,56986,16884,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,56986,16884,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,56986,16884,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57012,16885,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57012,16885,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57012,16885,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,57028,16886,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57028,16886,1
C,13,TMS,methyl carbons,,,,,ppm,0,na,direct,1,,,,,,,,,,57045,16887,1
H,1,water,protons,,,,,ppm,4.706,na,direct,1,,,,,,,,,,57045,16887,1
N,15,urea,nitrogen,,,,,ppm,0,na,direct,1,,,,,,,,,,57045,16887,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,57063,16888,1
H,1,water,protons,,,,,ppm,4.706,external,direct,1,,,,,,,,,,57063,16888,1
N,15,urea,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,57063,16888,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,57083,16889,1
H,1,water,protons,,,,,ppm,4.706,external,direct,1,,,,,,,,,,57083,16889,1
N,15,urea,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,57083,16889,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,57101,16890,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57101,16890,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,57101,16890,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,57117,16891,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,57117,16891,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,57117,16891,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57133,16892,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57148,16893,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57148,16893,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57148,16893,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57165,16894,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57165,16894,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57165,16894,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57189,16895,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57189,16895,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57189,16895,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57212,16897,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57212,16897,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57212,16897,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,57227,16898,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57227,16898,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,57227,16898,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57250,16899,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57250,16899,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57250,16899,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,57263,169,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57280,16900,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57280,16900,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57280,16900,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57310,16901,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57310,16901,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57310,16901,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,57330,16902,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,57330,16902,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,57330,16902,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57348,16904,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,57348,16904,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57348,16904,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,57364,16905,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57364,16905,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,57364,16905,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57393,16907,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57393,16907,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57393,16907,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57424,16908,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57424,16908,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57424,16908,1
C,13,DSS,methylene protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,57443,16909,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,57443,16909,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57463,16910,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57463,16910,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57463,16910,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57484,16911,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57484,16911,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57484,16911,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,57501,16912,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57501,16912,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57501,16912,1
C,13,water,protons,,,,,ppm,4.571,internal,indirect,0.25145002,,,,,,,,,,57516,16913,1
H,1,water,protons,,,,,ppm,4.571,internal,direct,1,,,,,,,,,,57516,16913,1
N,15,water,protons,,,,,ppm,4.571,internal,indirect,0.10132914,,,,,,,,,,57516,16913,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.2514,,,,,,,,,,57530,16914,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,57530,16914,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.1013,,,,,,,,,,57530,16914,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57549,16915,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,57570,16916,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57570,16916,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,57570,16916,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,57586,16917,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57586,16917,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57586,16917,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,57611,16918,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57611,16918,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,57611,16918,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,57633,16919,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57633,16919,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,57633,16919,1
H,,CF3CD2OD,CH2,,,,,ppm,3.88,,,,,,,1,entry_citation,,,1,entry_citation,57646,1692,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144954,,,,,,,,,,57666,16920,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,57666,16920,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.10132900,,,,,,,,,,57666,16920,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57685,16921,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57685,16921,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57685,16921,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,57701,16922,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,57701,16922,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,57701,16922,1
C,13,acetate,methyl carbon,,,,,ppm,25.85,na,direct,1.0,,,,,,,,,,57717,16923,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,57717,16923,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,57717,16923,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57738,16925,1
H,1,water,protons,,,,,ppm,4.753,internal,direct,1.000000000,,,,,,,,,,57738,16925,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57738,16925,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57756,16926,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57756,16926,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57756,16926,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,57775,16927,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,57775,16927,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,57775,16927,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,57793,16928,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,57793,16928,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,57793,16928,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57813,16929,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57813,16929,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57813,16929,1
H,,CF3CD2OD,CH2,,,,,ppm,3.88,,,,,,,1,entry_citation,,,1,entry_citation,57826,1693,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57841,16930,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57841,16930,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57841,16930,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57870,16931,1
H,1,water,protons,,,,,ppm,4.753,internal,direct,1.000000000,,,,,,,,,,57870,16931,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57870,16931,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57888,16932,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57888,16932,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57888,16932,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57911,16933,1
H,1,water,protons,,,,,ppm,4.753,internal,direct,1.000000000,,,,,,,,,,57911,16933,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57911,16933,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,57944,16934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,57944,16934,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,57944,16934,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,1,citations,,,1,citations,57966,16935,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,57966,16935,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,1,citations,,,1,citations,57966,16935,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,57994,16936,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,57994,16936,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,57994,16936,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.0,,,,,,,,,,58009,16937,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.0,in a separate rotor,,,,,,,,,58029,16939,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,0.403,in a separate rotor,,,,,,,,,58029,16939,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.25144953,,,,,,,,,,58051,16940,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,58051,16940,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,58051,16940,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,58075,16941,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58109,16942,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58109,16942,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58109,16942,1
H,1,CF3CHDOH,methyl protons,,,,,ppm,3.88,internal,direct,1.000000000,,,,,,,,,,58131,16943,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58155,16944,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58155,16944,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58155,16944,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,58171,16945,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,temperature,0.052,,,58171,16945,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,58171,16945,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,58189,16946,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58189,16946,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,58189,16946,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,0.251449530,,,,,,,,,,58209,16947,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,58209,16947,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,0.101329118,,,,,,,,,,58209,16947,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58223,16948,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58223,16948,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58223,16948,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58237,16949,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58237,16949,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58237,16949,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58259,16950,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58259,16950,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58259,16950,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,58259,16950,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58280,16951,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58280,16951,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,58280,16951,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58300,16952,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58300,16952,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58300,16952,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,58300,16952,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58319,16953,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58319,16953,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,58319,16953,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,58341,16954,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58341,16954,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,58341,16954,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58357,16955,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58357,16955,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58357,16955,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,58378,16956,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,58378,16956,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,58378,16956,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58405,16957,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58405,16957,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58405,16957,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,58423,16958,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58423,16958,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,58423,16958,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,58423,16958,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58439,16959,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58439,16959,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58439,16959,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,58452,1696,1
H,,H2O/HDO,,,,,,ppm,4.66,,,,,,,1,entry_citation,,,1,entry_citation,58452,1696,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,58452,1696,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation_1,,,1,entry_citation_1,58469,16960,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,58497,16961,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58497,16961,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,58497,16961,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,58563,16963,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,58578,16964,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,58578,16964,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,58592,16965,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,58592,16965,1
C,13,TSP,methyl carbon,,,,,ppm,0,na,indirect,1.000000000,,,,,,,,,,58607,16966,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,58607,16966,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,1.000000000,,,,,,,,,,58607,16966,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,58629,16967,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,58629,16967,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,58629,16967,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58650,16968,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58650,16968,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,1,entry_citation_1,,,1,entry_citation_1,58674,16969,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,1,entry_citation_1,,,1,entry_citation_1,58674,16969,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,1,entry_citation_1,,,1,entry_citation_1,58674,16969,1
H,1,,,,,,,ppm,,,,1.0,,,,,,,,,,58688,1697,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,58709,16970,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58709,16970,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,58709,16970,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58724,16971,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58724,16971,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58724,16971,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58745,16977,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58745,16977,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58745,16977,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58770,16978,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58770,16978,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58770,16978,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58796,16979,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58796,16979,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58796,16979,1
H,1,,,,,,,ppm,,,,1.0,,,,,,,,,,58813,1698,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,58829,16980,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58850,16981,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58850,16981,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58850,16981,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58864,16982,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58864,16982,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58864,16982,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58880,16983,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58880,16983,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58880,16983,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,58896,16984,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,58896,16984,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,58896,16984,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,58913,16986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58913,16986,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,58913,16986,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58946,16988,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58946,16988,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58946,16988,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,58963,16989,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,58963,16989,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,58963,16989,1
H,,CD3OH,residual CD2H,,,,,ppm,3.3,,,,,,,1,entry_citation,,,1,entry_citation,58977,1699,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59006,16991,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59006,16991,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59006,16991,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,59024,16992,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59024,16992,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,59024,16992,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59048,16994,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59048,16994,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59048,16994,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59068,16995,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59068,16995,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59068,16995,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59085,16996,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59085,16996,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59085,16996,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59105,16997,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59105,16997,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59105,16997,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,citations,,,1,citations,59152,16998,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,59152,16998,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,citations,,,1,citations,59152,16998,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59174,16999,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59174,16999,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59174,16999,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,59190,1700,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59206,17000,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59206,17000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59206,17000,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,59226,17001,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59245,17002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59245,17002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59245,17002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59259,17003,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59283,17005,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59283,17005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59283,17005,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59302,17006,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59302,17006,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59302,17006,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,59320,17007,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59320,17007,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,59320,17007,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,59356,17008,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,59356,17008,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,59356,17008,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59378,17009,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59378,17009,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59378,17009,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59396,17010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59396,17010,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59396,17010,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59416,17011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59416,17011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59455,17013,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59455,17013,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59455,17013,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59474,17014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59474,17014,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59474,17014,1
C,13,TFE,methylene carbons,,,,,ppm,60.975,internal,direct,1.0,,,,,,,,,,59490,17015,1
H,1,TFE,methylene protons,,,,,ppm,3.918,internal,direct,1.0,,,,,,,,,,59490,17015,1
C,13,acetate,methyl carbon,,,,,ppm,0,external,direct,1.000,,,,,,,,,,59513,17016,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59538,17017,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59538,17017,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59538,17017,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,59557,17018,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,59557,17018,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,59557,17018,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59577,17019,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,59577,17019,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59577,17019,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,59590,1702,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,59618,17020,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59618,17020,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,59618,17020,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59650,17021,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59650,17021,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59650,17021,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59681,17022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59681,17022,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59681,17022,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59705,17023,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59705,17023,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59705,17023,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59731,17024,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59731,17024,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59731,17024,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59759,17025,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59759,17025,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59759,17025,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59794,17026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59794,17026,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59794,17026,1
C,13,water,protons,,,,,ppm,4.80,internal,indirect,0.251449530,,,,,,,,,,59814,17027,1
H,1,water,protons,,,,,ppm,4.80,internal,direct,1.000000000,,,,,,,,,,59814,17027,1
N,15,water,protons,,,,,ppm,4.80,internal,indirect,0.101329118,,,,,,,,,,59814,17027,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59829,17028,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59829,17028,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59829,17028,1
C,13,water,protons,,,,,ppm,4.821,internal,indirect,0.251449530,,,,,,,,,,59849,17029,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1.000000000,,,,,,,,,,59849,17029,1
N,15,water,protons,,,,,ppm,4.821,internal,indirect,0.101329118,,,,,,,,,,59849,17029,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59887,17030,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59887,17030,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59887,17030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,59918,17031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,59918,17031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,59918,17031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,59946,17032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,59946,17032,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,59946,17032,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,59968,17033,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000,,,,,,,,,,59968,17033,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,59968,17033,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,59990,17034,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101340679,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,59990,17034,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60022,17035,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60022,17035,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60022,17035,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60050,17036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60050,17036,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60050,17036,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60082,17038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60082,17038,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60082,17038,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60114,17039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60114,17039,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60114,17039,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,60130,1704,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,60130,1704,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,60130,1704,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,60150,17040,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60171,17041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60171,17041,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60171,17041,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60190,17042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60190,17042,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60190,17042,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60206,17043,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60206,17043,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,60221,17044,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,,,,,,,,,,60221,17044,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,60221,17044,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,60239,17045,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60239,17045,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,60239,17045,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60260,17046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60260,17046,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60260,17046,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60286,17047,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60286,17047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60286,17047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60307,17048,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60307,17048,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60307,17048,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,60320,1705,1
C,13,water,protons,,,,,ppm,4.740,internal,indirect,0.251449530,,,,,,,,,,60336,17050,1
H,1,water,protons,,,,,ppm,4.740,internal,direct,1,,,,,,,,,,60336,17050,1
N,15,water,protons,,,,,ppm,4.740,internal,indirect,0.101329118,,,,,,,,,,60336,17050,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,60483,1706,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,60535,17062,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,60535,17062,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,60554,17063,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,60554,17063,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,60573,17064,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,60573,17064,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60588,17065,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60588,17065,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60588,17065,1
C,13,water,protons,,,,,ppm,,internal,indirect,0.251449530,,,,,,,,,,60607,17066,1
H,1,water,protons,,,,,ppm,4.6,na,direct,1.0,,,,,,,,,,60607,17066,1
N,13,water,protons,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,60607,17066,1
C,13,Dioxane,methylene carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,60627,17067,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,60627,17067,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,60627,17067,1
C,13,water,protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,60641,17068,1
H,1,water,protons,,,,,ppm,5.018,internal,direct,1.000000000,,,,,,,,,,60641,17068,1
N,15,water,protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,60641,17068,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,60674,1707,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60695,17070,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60695,17070,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60695,17070,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60716,17071,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60716,17071,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60716,17071,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,60742,17072,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,60742,17072,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,60742,17072,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60767,17073,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60767,17073,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60767,17073,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60784,17074,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60784,17074,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60784,17074,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60801,17075,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60801,17075,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60801,17075,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60818,17076,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60818,17076,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60818,17076,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60835,17077,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60835,17077,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60835,17077,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,60858,17078,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,60858,17078,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,60879,17079,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,60879,17079,1
N,15,DSS,methylene protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,60879,17079,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,60904,17080,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,60904,17080,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,60904,17080,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,insert at outer edge of experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,60929,17081,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000,insert at outer edge of experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,60929,17081,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,insert at outer edge of experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,60929,17081,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,60951,17082,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,60951,17082,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,60951,17082,1
H,1,water,protons,,,,,ppm,4.776,internal,direct,1.0,,,,,,,,,,60967,17083,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,60987,17084,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,60987,17084,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,60987,17084,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.2514,,,,,,,,,,61007,17085,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,61007,17085,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1013,,,,,,,,,,61007,17085,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,61024,17086,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,insert at center of experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,61047,17087,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000,insert at center of experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,61047,17087,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,insert at center of experimental sample tube,cylindrical,parallel,1,citations,,,1,citations,61047,17087,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61072,17088,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61072,17088,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61072,17088,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61087,17089,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61087,17089,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61087,17089,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,61100,1709,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61120,17090,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61120,17090,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61120,17090,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,61141,17091,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,61159,17092,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,61159,17092,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,61159,17092,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,61301,171,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,61314,1710,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25,,,,1,entry_citation,,,1,entry_citation,61385,17103,1
F,19,TFA,Aliphatic fluorine,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,61385,17103,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,61385,17103,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1,,,,1,entry_citation,,,1,entry_citation,61385,17103,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61403,17104,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61403,17104,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61403,17104,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61422,17105,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,0.1043,,,61422,17105,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61422,17105,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,61448,17106,1
H,1,water,protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61448,17106,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,61448,17106,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61464,17107,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61479,17108,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,61495,17109,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,61495,17109,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,61495,17109,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,61517,17110,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,61517,17110,1
N,15,water,protons,,,,,ppm,7.773,internal,indirect,0.101329118,,,,,,,,,,61517,17110,1
C,13,water,protons,,,,,ppm,37.599,na,indirect,0.251449530,,,,,,,,,,61531,17111,1
H,1,water,protons,,,,,ppm,4.821,na,direct,1,,,,,,,,,,61531,17111,1
N,15,water,protons,,,,,ppm,120.19,na,indirect,0.101329118,,,,,,,,,,61531,17111,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,61551,17112,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,61551,17112,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,61551,17112,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,61571,17113,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,61571,17113,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,61571,17113,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,61665,1712,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,61753,17124,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,61753,17124,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,61753,17124,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,1.0000000,,,,,,,,,,61782,17125,1
H,1,water,protons,,,,,ppm,4.86,internal,direct,1.0000000,,,,,,,,,,61782,17125,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,direct,1.0000000,,,,,,,,,,61782,17125,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61802,17126,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61802,17126,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61802,17126,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251449530,,,,,,,,,,61827,17127,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1,,,,,,,,,,61827,17127,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.101329118,,,,,,,,,,61827,17127,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251449530,,,,,,,,,,61847,17128,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1.00,,,,,,,,,,61847,17128,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.101329118,,,,,,,,,,61847,17128,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61870,17129,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,indirect,1.000000000,,,,,,,,,,61870,17129,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,61870,17129,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,61883,1713,1
C,13,water,protons,,,,,ppm,4.677,na,indirect,0.251449530,,,,,,,,,,61902,17130,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.000000000,,,,,,,,,,61902,17130,1
N,15,water,protons,,,,,ppm,4.677,na,indirect,0.101329118,,,,,,,,,,61902,17130,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61918,17131,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61918,17131,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61918,17131,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61941,17132,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61941,17132,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61941,17132,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61961,17133,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61961,17133,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61961,17133,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,61982,17134,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.00,,,,,,,,,,61982,17134,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,61982,17134,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,61997,17135,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,61997,17135,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,61997,17135,1
C,13,DSS,methyl protons,,,,,MHz,150.9023963,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,62012,17136,1
H,1,DSS,methyl protons,,,,,MHz,600.1299596,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,62012,17136,1
N,15,DSS,methyl protons,,,,,MHz,60.8106395,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,62012,17136,1
C,13,DSS,methyl protons,,,,,MHz,150.9023969,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,62027,17137,1
H,1,DSS,methyl protons,,,,,MHz,600.1299622,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,62027,17137,1
N,15,DSS,methyl protons,,,,,MHz,60.8106398,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,62027,17137,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62046,17138,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62046,17138,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62046,17138,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251462,,,,,,,,,,62070,17139,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000,,,,,,,,,,62070,17139,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101341,,,,,,,,,,62070,17139,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,62086,17141,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,62086,17141,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,62086,17141,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,62103,17143,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,62103,17143,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,62103,17143,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,62126,17144,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62126,17144,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,62126,17144,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62142,17145,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62142,17145,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62142,17145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,62164,17146,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62164,17146,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,62164,17146,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62180,17147,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62180,17147,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62180,17147,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62198,17148,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62198,17148,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62198,17148,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62243,17149,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62243,17149,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62243,17149,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62266,17150,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62266,17150,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62266,17150,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,62286,17151,1
H,1,DSS,methyl protons,,,,,ppm,4.71,internal,direct,1.000000000,,,,,,,,,,62286,17151,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,62286,17151,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1.000000000,,,,,,,,,,62300,17152,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62325,17153,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62325,17153,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62325,17153,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62350,17154,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62350,17154,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62350,17154,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62375,17155,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62375,17155,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62375,17155,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62400,17156,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62400,17156,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62400,17156,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,62419,17157,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,62419,17157,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,62419,17157,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,62438,17158,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,62438,17158,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,62438,17158,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,62453,17159,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,62453,17159,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,62453,17159,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62471,17160,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62471,17160,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62471,17160,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,62498,17161,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.000000000,,,,,,,,,,62498,17161,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,62498,17161,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62514,17162,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62514,17162,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62514,17162,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,62530,17163,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,62530,17163,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,62530,17163,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144954,,,,,,,,,,62558,17165,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0000000,,,,,,,,,,62558,17165,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.10132900,,,,,,,,,,62558,17165,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144954,,,,,,,,,,62586,17166,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000000,,,,,,,,,,62586,17166,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.10132900,,,,,,,,,,62586,17166,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62621,17169,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62621,17169,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62621,17169,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62639,17170,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62639,17170,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62639,17170,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62658,17171,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62658,17171,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62658,17171,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62673,17172,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62673,17172,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62690,17173,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62690,17173,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62690,17173,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,62710,17174,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,62710,17174,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,62710,17174,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,62758,17175,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62758,17175,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62758,17175,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,62807,17176,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,62807,17176,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,62807,17176,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,62831,17177,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,62831,17177,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63025,17188,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63025,17188,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63025,17188,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63041,17189,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63041,17189,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63041,17189,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,63056,1719,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63073,17190,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63073,17190,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63073,17190,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63108,17191,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63108,17191,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63108,17191,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63148,17192,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63148,17192,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63148,17192,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,63168,17193,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.000000000,,,,,,,,,,63185,17194,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63204,17195,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63204,17195,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63204,17195,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63223,17196,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63223,17196,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63223,17196,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63238,17199,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63238,17199,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63238,17199,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,63254,1720,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63281,17200,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63281,17200,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63281,17200,1
C,13,water,protons,,,,,ppm,4.51,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,63299,17201,1
H,1,water,protons,,,,,ppm,4.51,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,63299,17201,1
N,15,water,protons,,,,,ppm,4.51,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,63299,17201,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251449530,,,,,,,,,,63313,17202,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1.000000000,,,,,,,,,,63313,17202,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.101329118,,,,,,,,,,63313,17202,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63330,17203,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63330,17203,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63330,17203,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63344,17204,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63344,17204,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63344,17204,1
C,13,dioxane,methylene carbons,,,,,ppm,69.3,external,direct,1.0,,,,,,,,,,63361,17205,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,63361,17205,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,63361,17205,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63381,17206,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63381,17206,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63381,17206,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,63413,17207,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63413,17207,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,63413,17207,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63444,17208,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63444,17208,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63444,17208,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63464,17209,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63464,17209,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63464,17209,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63491,17210,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63491,17210,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63491,17210,1
C,13,TFE-d2,methylene protons,,,,,ppm,3.88,internal,indirect,0.10132905,,,,,,,,,,63510,17211,1
H,1,TFE-d2,methylene protons,,,,,ppm,3.88,internal,direct,1.0,,,,,,,,,,63510,17211,1
N,15,TFE-d2,methylene protons,,,,,ppm,3.88,internal,indirect,0.2514002,,,,,,,,,,63510,17211,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63524,17212,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63524,17212,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63524,17212,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,63524,17212,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,insert at outer edge of experimental sample tube,cylindrical,parallel,,,,,,,63546,17213,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000,insert at outer edge of experimental sample tube,cylindrical,parallel,,,,,,,63546,17213,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,insert at outer edge of experimental sample tube,cylindrical,parallel,,,,,,,63546,17213,1
C,13,adamantane,methyl carbon,,,,,ppm,40.48,external,direct,1.000,in a separate rotor,,,,,,,,,63563,17214,1
N,15,adamantane,methyl carbon,,,,,ppm,40.48,external,indirect,3.977,in a separate rotor,,,,,,,,,63563,17214,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,63655,1722,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,63783,17226,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,63783,17226,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,63783,17226,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,63813,17227,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,63830,17228,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,63849,17229,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,63863,1723,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63877,17231,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63877,17231,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63877,17231,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63898,17232,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63898,17232,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63898,17232,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63917,17233,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63917,17233,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63917,17233,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63936,17234,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63936,17234,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63936,17234,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,63955,17235,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,63955,17235,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,63955,17235,1
C,13,Dioxane,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,63979,17236,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,63979,17236,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,63979,17236,1
H,1,TSP,protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,63995,17237,1
N,15,TSP,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,63995,17237,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,64018,17238,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,64018,17238,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,64018,17238,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,64040,17239,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,64040,17239,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,64040,17239,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,64053,1724,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,64071,17240,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64088,17241,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64088,17241,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64088,17241,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,64107,17242,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64107,17242,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,64107,17242,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,64107,17242,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64126,17243,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64126,17243,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64126,17243,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64148,17244,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64148,17244,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64148,17244,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64166,17245,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64166,17245,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64166,17245,1
C,13,dioxane,methyl carbon,,,,,ppm,69.4,external,direct,1.000,,,,,,,,,,64192,17246,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000,,,,,,,,,,64192,17246,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64192,17246,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,64211,17247,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,64211,17247,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64230,17249,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64230,17249,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64230,17249,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,64243,1725,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64257,17250,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64257,17250,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64257,17250,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64275,17251,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64275,17251,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64275,17251,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,64291,17252,1
H,1,water,protons,,,,,ppm,5.002,internal,direct,1.0,,,,,,,,,,64308,17253,1
N,15,ammonium nitrate,nitrogen,,,,,ppm,21.0,internal,direct,1.0,,,,,,,,,,64308,17253,1
C,13,water,protons,,,,,ppm,4.73,internal,indirect,0.251449530,,,,,,,,,,64325,17254,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0,,,,,,,,,,64325,17254,1
N,15,water,protons,,,,,ppm,4.73,internal,indirect,0.101329118,,,,,,,,,,64325,17254,1
C,13,water,protons,,,,,ppm,4.73,internal,indirect,0.251449530,,,,,,,,,,64343,17255,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0,,,,,,,,,,64343,17255,1
N,15,water,protons,,,,,ppm,4.73,internal,indirect,0.101329118,,,,,,,,,,64343,17255,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64357,17256,1
C,13,water,protons,,,,,ppm,1.0,na,indirect,0.251449530,,,,,,,,,,64383,17257,1
H,1,water,protons,,,,,ppm,4.630,internal,direct,1.0,,,,,,,,,,64383,17257,1
N,15,water,protons,,,,,ppm,1.0,na,indirect,0.101329118,,,,,,,,,,64383,17257,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,64399,17258,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,66078,17346,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,64399,17258,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,64399,17258,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,64415,1726,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64430,17260,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64430,17260,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64430,17260,1
C,13,dioxane,methylene carbons,,,,,ppm,69.4,external,direct,1.0,,,,,,,,,,64455,17261,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,64455,17261,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,64455,17261,1
C,13,dioxane,methyl carbon,,,,,ppm,69.4,external,direct,1.0,,,,,,,,,,64482,17262,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,64482,17262,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,64482,17262,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64507,17263,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64507,17263,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64507,17263,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,64531,17264,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,64531,17264,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,64531,17264,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64556,17265,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64556,17265,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64556,17265,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64581,17266,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,64581,17266,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64581,17266,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,64601,17267,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64601,17267,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,64601,17267,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64619,17268,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64619,17268,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64619,17268,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,64632,1727,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,64650,17270,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,64650,17270,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,64650,17270,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,64671,17271,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,64671,17271,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,64671,17271,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,64691,17272,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1.0,,,,,,,,,,64691,17272,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,64691,17272,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,64717,17273,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1,,,,,,,,,,64717,17273,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,64717,17273,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,64749,17274,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,64749,17274,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,64749,17274,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64766,17275,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64766,17275,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64766,17275,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,64780,17276,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,64780,17276,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,64780,17276,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64798,17277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64798,17277,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64798,17277,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64814,17278,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64814,17278,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64814,17278,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64829,17279,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64829,17279,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64829,17279,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,64842,1728,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64870,17280,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64870,17280,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64870,17280,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64890,17281,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,64912,17282,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64912,17282,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,64912,17282,1
C,13,water,protons,,,,,ppm,4.75,na,indirect,0.25144954,,,,,,,,,,64935,17283,1
H,1,water,protons,,,,,ppm,4.75,na,direct,1,,,,,,,,,,64935,17283,1
N,15,water,protons,,,,,ppm,4.75,na,indirect,0.10132900,,,,,,,,,,64935,17283,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64952,17284,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64952,17284,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64952,17284,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,64972,17285,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64972,17285,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,64972,17285,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,64986,17286,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,64986,17286,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,64986,17286,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,65008,17287,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.000000000,,,,,,,,,,65008,17287,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,65008,17287,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,65023,17288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65023,17288,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,65023,17288,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,65046,17289,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,65046,17289,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,65046,17289,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,65059,1729,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65074,17290,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65074,17290,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65074,17290,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,65091,17291,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,65120,17292,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,65120,17292,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,65120,17292,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65141,17293,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65141,17293,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65141,17293,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,n/a,n/a,n/a,1,citations,,,1,citations,65161,17294,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,,,,,,,65181,17295,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,65195,17296,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,65209,17297,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65224,17298,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65224,17298,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65224,17298,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,65238,17299,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,65238,17299,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013291,,,,,,,,,,65238,17299,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,65252,17300,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,65252,17300,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013291,,,,,,,,,,65252,17300,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,65269,17301,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,65269,17301,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65289,17302,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65289,17302,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65309,17303,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65309,17303,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65334,17304,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65334,17304,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65334,17304,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,65356,17305,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65356,17305,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,65356,17305,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,65377,17306,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65377,17306,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,65377,17306,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65402,17307,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65402,17307,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65402,17307,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,65420,17308,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,65420,17308,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,65420,17308,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,65444,17309,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65444,17309,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,65444,17309,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251462373040,,,,,,,,,,65469,17310,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000000,,,,,,,,,,65469,17310,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,65469,17310,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251462373040,,,,,,,,,,65494,17311,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000000,,,,,,,,,,65494,17311,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,65494,17311,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,65519,17312,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,65519,17312,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,65519,17312,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,65536,17313,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,65536,17313,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,65536,17313,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65550,17314,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65550,17314,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65550,17314,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65573,17315,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65573,17315,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65573,17315,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65589,17316,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65589,17316,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65589,17316,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65608,17318,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65608,17318,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65608,17318,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65627,17319,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65627,17319,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65627,17319,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65646,17320,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65646,17320,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65646,17320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65663,17321,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65663,17321,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65663,17321,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65680,17322,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65680,17322,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65680,17322,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,65680,17322,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65706,17323,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65706,17323,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65706,17323,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65727,17324,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65727,17324,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65727,17324,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65747,17325,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65747,17325,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65747,17325,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65762,17326,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,65762,17326,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,65784,17327,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,65784,17327,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,65784,17327,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,65804,17328,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,65804,17328,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,65804,17328,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65823,17329,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65823,17329,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65823,17329,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,65839,17330,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,65855,17331,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,65873,17332,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,65873,17332,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,65873,17332,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,65961,1734,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,65961,1734,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,66008,17343,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,66008,17343,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,66008,17343,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66033,17344,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66033,17344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66033,17344,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,66056,17345,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66056,17345,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,66056,17345,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,66097,17347,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66114,17350,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66114,17350,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66114,17350,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,66134,17351,1
P,31,TMP,phosphorus,,,,,ppm,0.00,external,direct,0.404808636,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,66134,17351,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66150,17352,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66150,17352,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66150,17352,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,66150,17352,1
C,13,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,0.251449530,,,,,,,,,,66168,17353,1
H,1,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,1.000000000,,,,,,,,,,66168,17353,1
N,15,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,0.101329118,,,,,,,,,,66168,17353,1
C,13,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,0.251449530,,,,,,,,,,66186,17354,1
H,1,TSP,methyl protons,,,,,ppm,-0.015,internal,direct,1,,,,,,,,,,66186,17354,1
N,15,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,0.101329118,,,,,,,,,,66186,17354,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66204,17355,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66204,17355,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66204,17355,1
H,1,water,protons,,,,,ppm,4.705,internal,direct,1,,,,,,,,,,66220,17356,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,66238,17357,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,66238,17357,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132911,,,,,,,,,,66238,17357,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,66258,17358,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,66258,17358,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,66258,17358,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,66287,17359,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,66287,17359,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,66287,17359,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,66305,1736,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,66305,1736,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66334,17360,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66334,17360,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66334,17360,1
C,13,adamantane,methylene carbons,,,,,ppm,40.48,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,66352,17361,1
N,15,adamantane,methylene carbons,,,,,ppm,40.48,external,indirect,0.402979946,,,,1,entry_citation,,,1,entry_citation,66352,17361,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,66369,17362,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66369,17362,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,66369,17362,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,66389,17363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,66389,17363,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,66389,17363,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66412,17364,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66412,17364,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66412,17364,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66432,17365,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,66432,17365,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66432,17365,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,66446,17367,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,66446,17367,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,66446,17367,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66463,17368,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66463,17368,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66463,17368,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66484,17369,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66484,17369,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66484,17369,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,66536,17370,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,66536,17370,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,66536,17370,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66561,17371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66561,17371,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66561,17371,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66579,17373,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66579,17373,1
H,1,HDO,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,79399,18034,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66579,17373,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66593,17374,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66593,17374,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66593,17374,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66611,17375,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66611,17375,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66629,17376,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66629,17376,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66629,17376,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66645,17377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66666,17378,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66666,17378,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66666,17378,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66685,17379,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66703,17380,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66703,17380,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66703,17380,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66718,17381,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66718,17381,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66718,17381,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,citations,,,1,citations,66734,17382,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,1,citations,,,1,citations,66734,17382,1
N,15,DSS,methylene protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,citations,,,1,citations,66734,17382,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66755,17383,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66755,17383,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66755,17383,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,66786,17384,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,66786,17384,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,66786,17384,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66804,17385,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66804,17385,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66804,17385,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66822,17386,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66822,17386,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66822,17386,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,66840,17387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,66840,17387,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,66840,17387,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,66860,17388,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,66860,17388,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,66860,17388,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,66902,17389,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,66902,17389,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,66902,17389,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,1,citations,,,1,citations,66902,17389,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,66916,1739,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,66953,17390,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,66953,17390,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,66953,17390,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,1,citations,,,1,citations,66953,17390,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,66969,17391,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,66969,17391,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,66969,17391,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,66969,17391,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,66992,17392,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,66992,17392,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,66992,17392,1
C,13,water,methyl carbons,,,,,ppm,40,internal,direct,1,,,,,,,,,,67020,17393,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,67020,17393,1
N,15,water,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,67020,17393,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,1,entry_citation,,,1,entry_citation,67044,17394,1
H,1,TMS,methyl protons,,,,,ppm,0.00,external,indirect,1,,,,,,,,,,67061,17395,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67082,17396,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67082,17396,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67082,17396,1
H,1,DSS,protons,,,,,ppm,0.00,external,direct,1,,,,1,entry_citation,,,1,entry_citation,67100,17397,1
H,1,HDO,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,79415,18035,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.00,external,direct,1,,,,1,entry_citation,,,1,entry_citation,67100,17397,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67116,17398,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67116,17398,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67116,17398,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,67136,17399,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.000000000,,,,,,,,,,67136,17399,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,67136,17399,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,67150,17400,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,67150,17400,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1,,,,1,1,,,1,1,67167,17401,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,,,,,,,,,,67189,17402,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,67189,17402,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,67189,17402,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,67213,17403,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,67213,17403,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,1,entry_citation,,,1,entry_citation,67213,17403,1
C,13,spectrometer frequency,no,,,,,ppm,2.5,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,67229,17404,1
H,1,spectrometer frequency,no,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,67229,17404,1
N,15,spectrometer frequency,no,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,67229,17404,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67244,17405,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67244,17405,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67244,17405,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,67244,17405,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67267,17406,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67267,17406,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,67267,17406,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.40480721,,,,1,entry_citation,,,1,entry_citation,67267,17406,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67291,17407,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67291,17407,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67291,17407,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1,,,,,,,,,,67313,17408,1
C,13,water,protons,,,,,ppm,4.71,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,67333,17409,1
H,1,water,protons,,,,,ppm,4.71,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,67333,17409,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25,,,,1,entry_citation,,,1,entry_citation,67352,17410,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00,,,,1,entry_citation,,,1,entry_citation,67352,17410,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.10,,,,1,entry_citation,,,1,entry_citation,67352,17410,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67368,17411,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67368,17411,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,67368,17411,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,67394,17412,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,67394,17412,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,67394,17412,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,67410,17413,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,67410,17413,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67426,17414,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67426,17414,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,67426,17414,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67448,17415,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67448,17415,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67448,17415,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67465,17416,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67465,17416,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67465,17416,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,67483,17417,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,67483,17417,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,67483,17417,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67503,17418,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67503,17418,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,67503,17418,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,67503,17418,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67523,17419,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67523,17419,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67523,17419,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67539,17420,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,67539,17420,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,67539,17420,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,citations,,,1,citations,67560,17421,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,67560,17421,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,citations,,,1,citations,67560,17421,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67582,17422,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67603,17423,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,67620,17424,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67620,17424,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,67620,17424,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,67639,17425,1
H,1,water,protons,,,,,ppm,4.706,internal,direct,1.0,,,,,,,,,,67639,17425,1
N,15,urea,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,67639,17425,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67656,17426,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67670,17427,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67670,17427,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,67670,17427,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,67685,17428,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,67685,17428,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,67685,17428,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,67713,17429,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,67713,17429,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,67713,17429,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,67730,1743,1
N,,,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,67730,1743,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,2.6,,,67749,17430,1
H,1,water,protons,,,,,ppm,4.68,internal,direct,1.000000000,,,,,,temperature,-0.02,,,67749,17430,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,67749,17430,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67769,17431,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67769,17431,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,67769,17431,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,67785,17432,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,67785,17432,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,67785,17432,1
C,13,water,protons,,,,,ppm,4.684,internal,indirect,0.10132900,,,,,,,,,,67799,17433,1
H,1,water,protons,,,,,ppm,4.684,internal,direct,1,,,,,,,,,,67799,17433,1
N,15,water,protons,,,,,ppm,4.684,internal,indirect,0.25144954,,,,,,,,,,67799,17433,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67813,17434,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67813,17434,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67813,17434,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,67827,17435,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,67827,17435,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,67827,17435,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,67856,17436,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,67856,17436,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,67876,17437,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,67876,17437,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,67876,17437,1
H,1,TSP,methyl carbons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,67896,17438,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,67912,17439,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,67912,17439,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,67912,17439,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,67925,1744,1
N,,,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,67925,1744,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,67950,17440,1
H,1,TSP,methyl carbons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,67970,17441,1
H,1,TSP,methyl carbons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,67990,17442,1
C,13,DSS,methyl proton,,,,,ppm,0.0000,internal,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,68007,17443,1
H,1,DSS,methyl proton,,,,,ppm,0.0000,internal,indirect,1,,,,1,entry_citation,,,1,entry_citation,68007,17443,1
N,15,DSS,methyl proton,,,,,ppm,0.0000,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68007,17443,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68022,17444,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68022,17444,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68022,17444,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,insert at center of experimental sample tube,,,,,,,,,68037,17445,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,,,,,,,,,68037,17445,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,insert at center of experimental sample tube,,,,,,,,,68037,17445,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68052,17446,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68052,17446,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68052,17446,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68072,17447,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68072,17447,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68072,17447,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68091,17448,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68091,17448,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68091,17448,1
H,1,water,protons,,,,,ppm,4.776,na,direct,1.0,,,,1,entry_citation,,,1,entry_citation,68114,17449,1
H,1,water,protons,,,,,ppm,4.95,na,direct,1.0,,,,1,entry_citation,,,1,entry_citation,68115,17449,2
H,,H2O/HDO,,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,68128,1745,1
H,1,water,protons,,,,,ppm,4.753,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,68144,17450,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,68166,17451,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,68166,17451,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,68166,17451,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68187,17452,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68187,17452,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68187,17452,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68206,17453,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68206,17453,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449537,,,,1,entry_citation,,,1,entry_citation,68221,17454,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,1,entry_citation,,,1,entry_citation,68221,17454,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013290562,,,,1,entry_citation,,,1,entry_citation,68221,17454,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449537,,,,1,entry_citation,,,1,entry_citation,68236,17455,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,1,entry_citation,,,1,entry_citation,68236,17455,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013290562,,,,1,entry_citation,,,1,entry_citation,68236,17455,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68256,17456,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68256,17456,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68256,17456,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68288,17458,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,68431,17466,1
H,1,HDO,proton,,,,,ppm,4.812,internal,indirect,1,,,,1,entry_citation,,,1,entry_citation,68431,17466,1
N,15,Liquid NH3,protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68431,17466,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,68449,17467,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68449,17467,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,68449,17467,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68466,17468,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68466,17468,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68466,17468,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,68511,17471,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,68511,17471,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,68511,17471,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68526,17472,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68526,17472,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68526,17472,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68541,17473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68541,17473,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.2514,,,,,,,,,,68557,17474,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1.0,,,,,,,,,,68557,17474,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.1013,,,,,,,,,,68557,17474,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,68575,17475,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,68589,17476,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,68589,17476,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,100,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,68589,17476,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68607,17477,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68607,17477,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68607,17477,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68630,17478,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68630,17478,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68630,17478,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,68630,17478,1
C,13,water,protons,,,,,ppm,4.70,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68657,17479,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68657,17479,1
N,15,water,protons,,,,,ppm,4.70,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68657,17479,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,68684,17481,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,68684,17481,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,68684,17481,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,1,citations,68704,17482,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,1,citations,68704,17482,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,1,citations,68704,17482,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68723,17483,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68723,17483,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68723,17483,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,68754,17484,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,68754,17484,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,68754,17484,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68771,17485,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68771,17485,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68771,17485,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68786,17487,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,68786,17487,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68786,17487,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68804,17488,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.000000000,,,,,,,,,,68804,17488,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68804,17488,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,68824,17489,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,68824,17489,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,68824,17489,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68853,17490,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68853,17490,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68853,17490,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68871,17491,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,68871,17491,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68871,17491,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,68887,17492,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,68887,17492,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,68887,17492,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144954,,,,,,,,,,68911,17493,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,68911,17493,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10132900,,,,,,,,,,68911,17493,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,68931,17494,1
N,15,water,protons,,,,,ppm,4.73,internal,indirect,0.101329118,,,,,,,,,,68931,17494,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,68946,17495,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,68946,17495,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,68946,17495,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,68977,17496,1
H,1,water,protons,,,,,ppm,4.820684,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,68977,17496,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,68977,17496,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,68992,17497,1
H,1,water,protons,,,,,ppm,4.777,internal,direct,1.000000000,,,,,,,,,,68992,17497,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,68992,17497,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69008,17498,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69008,17498,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,69023,17499,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,69023,17499,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000000,,,,,,,,,,69038,17500,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69057,17501,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69057,17501,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69057,17501,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69079,17502,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69079,17502,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69079,17502,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,69103,17503,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000000,,,,,,,,,,69103,17503,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,69103,17503,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,69134,17504,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,69149,17505,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.000000000,,,,,,,,,,69149,17505,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,69149,17505,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449519,,,,,,,,,,69165,17506,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,69165,17506,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,69165,17506,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69184,17507,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69184,17507,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69184,17507,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69210,17508,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69210,17508,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69210,17508,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69230,17509,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69230,17509,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69230,17509,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,69244,1751,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69265,17510,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69265,17510,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69265,17510,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69282,17511,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69282,17511,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69282,17511,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,69298,17512,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,69298,17512,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,69298,17512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69318,17513,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69318,17513,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69318,17513,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69339,17514,1
H,1,water,protons,,,,,ppm,4.8016,internal,direct,1,,,,,,,,,,69339,17514,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69339,17514,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,69339,17514,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69361,17515,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69361,17515,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69361,17515,1
C,13,water,protons,,,,,ppm,4.17,internal,indirect,0.25144954,,,,,,,,,,69379,17517,1
H,1,water,protons,,,,,ppm,4.17,internal,direct,1.0,,,,,,,,,,69379,17517,1
N,15,water,protons,,,,,ppm,4.17,internal,indirect,0.10132900,,,,,,,,,,69379,17517,1
C,13,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,69396,17518,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,69396,17518,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,69396,17518,1
C,13,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,69414,17519,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,69414,17519,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,69414,17519,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,69427,1752,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.25144954,,,,,,,,,,69444,17520,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,69444,17520,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.10132900,,,,,,,,,,69444,17520,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,spiked into experimental sample,,,,,,,,,69464,17521,1
H,1,TSP,methyl protons,,,,,ppm,-0.012,internal,direct,1.000000000,,,,,,,,,,69464,17521,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,spiked into experimental sample,,,,,,,,,69464,17521,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69490,17523,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69490,17523,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69490,17523,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69517,17524,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69517,17524,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69517,17524,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69540,17525,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69540,17525,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69540,17525,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,69557,17526,1
H,1,water,protons,,,,,ppm,4.773,na,direct,1,,,,,,,,,,69557,17526,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,69557,17526,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,69575,17527,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,0,,,,,,,,,,69591,17528,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69612,17529,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69612,17529,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69612,17529,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69640,17530,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69640,17530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69640,17530,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,69658,17531,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69677,17532,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69677,17532,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69677,17532,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,69697,17533,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,69697,17533,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,69697,17533,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69720,17534,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69720,17534,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69720,17534,1
B,11,borate,B(OH)3,,,,,ppm,0.0,external,direct,0.3208598,,,,,,,,,,69743,17535,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69743,17535,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69743,17535,1
P,31,phosphoric acid (85%),PO4,,,,,ppm,1.46,external,direct,0.4048086,,,,,,,,,,69743,17535,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,69763,17536,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,69763,17536,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,69763,17536,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69779,17537,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69799,17538,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69799,17538,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69799,17538,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69821,17539,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69821,17539,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69821,17539,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69841,17540,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69841,17540,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69841,17540,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69862,17541,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69862,17541,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69862,17541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69883,17542,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69883,17542,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69883,17542,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69903,17543,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69903,17543,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69903,17543,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69924,17544,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69924,17544,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69924,17544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,69945,17545,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,69945,17545,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,69945,17545,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,69961,17546,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,69961,17546,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,69961,17546,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,69980,17547,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,69994,17549,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,69994,17549,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,69994,17549,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70011,17550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70011,17550,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70011,17550,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144954,,,,,,,,,,70033,17551,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,70033,17551,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329,,,,,,,,,,70033,17551,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70052,17552,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70052,17552,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70052,17552,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70074,17553,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70074,17553,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70074,17553,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70093,17554,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70093,17554,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70093,17554,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70108,17555,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70108,17555,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70108,17555,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,70124,17556,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,70139,17557,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,70139,17557,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,70139,17557,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70159,17558,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70159,17558,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70159,17558,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70177,17559,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70177,17559,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,70190,1756,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70208,17560,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70208,17560,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1.0,,,,,,,,,,70231,17561,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,70231,17561,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,70231,17561,1
H,1,water,protons,,,,,ppm,4.733,internal,direct,1.0,,,,,,,,,,70249,17562,1
H,1,water,protons,,,,,Hz,500,internal,direct,1.000000000,,,,,,,,,,70266,17563,1
H,1,water,protons,,,,,Hz,500,internal,direct,1.0,,,,,,,,,,70283,17564,1
H,1,water,protons,,,,,Hz,500,internal,direct,1.0,,,,,,,,,,70300,17565,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70316,17566,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70316,17566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70333,17567,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70333,17567,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70348,17568,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70348,17568,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,70371,17569,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,70371,17569,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,70371,17569,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,70384,1757,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,70399,17570,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,70399,17570,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,70420,17571,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,70420,17571,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,70420,17571,1
C,13,water,protons,,,,,ppm,4.17,internal,indirect,0.25144954,,,,,,,,,,70439,17572,1
H,1,water,protons,,,,,ppm,4.17,internal,direct,1.0,,,,,,,,,,70439,17572,1
N,15,water,protons,,,,,ppm,4.17,internal,indirect,0.10132900,,,,,,,,,,70439,17572,1
C,13,water,protons,,,,,ppm,4.17,internal,direct,1.0,,,,,,,,,,70459,17573,1
H,1,water,protons,,,,,ppm,4.17,internal,direct,1.0,,,,,,,,,,70459,17573,1
N,15,water,protons,,,,,ppm,4.17,internal,direct,1.0,,,,,,,,,,70459,17573,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70485,17574,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70485,17574,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70485,17574,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70499,17575,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70499,17575,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70499,17575,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70517,17576,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70517,17576,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70517,17576,1
C,13,TMP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,70537,17577,1
H,1,TMP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,70537,17577,1
N,15,TMP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,70537,17577,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70560,17578,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70560,17578,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70560,17578,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70583,17579,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70583,17579,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70583,17579,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,70597,17580,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,70617,17581,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70635,17582,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70635,17582,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70635,17582,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,70654,17583,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,70654,17583,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,70654,17583,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70673,17584,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70673,17584,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70673,17584,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70692,17585,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70692,17585,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70692,17585,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70711,17586,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70711,17586,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70711,17586,1
C,13,water,protons,,,,,ppm,64.851,internal,indirect,0.251449530,,,,,,,,,,70729,17588,1
H,1,water,protons,,,,,ppm,4.784,internal,direct,1.0,,,,,,,,,,70729,17588,1
N,15,water,protons,,,,,ppm,117.597,internal,indirect,0.101329118,,,,,,,,,,70729,17588,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70747,17589,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70747,17589,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70747,17589,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70764,17590,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70764,17590,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70764,17590,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70781,17591,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70781,17591,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70781,17591,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70799,17592,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70799,17592,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70799,17592,1
C,13,TFE,methylene protons,,,,,ppm,3.88,internal,indirect,0.10132905,,,,,,,,,,70824,17593,1
H,1,TFE,methylene protons,,,,,ppm,3.88,internal,direct,1.0,,,,,,,,,,70824,17593,1
N,15,TFE,methylene protons,,,,,ppm,3.88,internal,indirect,0.2514002,,,,,,,,,,70824,17593,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70845,17594,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70845,17594,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70845,17594,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144954,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,70874,17595,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,70874,17595,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.10132912,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,70874,17595,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70895,17596,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70895,17596,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70895,17596,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70912,17597,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,70912,17597,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70912,17597,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.04,,,,,,,,,,70931,17598,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,70931,17598,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.07,,,,,,,,,,70931,17598,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70951,17599,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70951,17599,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70951,17599,1
H,,H2O/HDO,,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,70964,1760,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,70984,17600,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,70984,17600,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,70984,17600,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,71001,17601,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,71001,17601,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,71001,17601,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71019,17602,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71019,17602,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71019,17602,1
C,13,water,protons,,,,,ppm,4.687,internal,indirect,0.251449530,,,,,,,,,,71040,17603,1
H,1,water,protons,,,,,ppm,4.687,internal,direct,1.0,,,,,,,,,,71040,17603,1
N,15,water,protons,,,,,ppm,4.687,internal,indirect,0.101329118,,,,,,,,,,71040,17603,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,71064,17604,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,71064,17604,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,71064,17604,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71079,17606,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71079,17606,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71079,17606,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71098,17607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71098,17607,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71098,17607,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71117,17608,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71117,17608,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71117,17608,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71139,17609,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71139,17609,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71139,17609,1
H,,H2O/HDO,,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,71152,1761,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,71174,17610,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,71174,17610,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,71174,17610,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71205,17611,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71205,17611,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71205,17611,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,71232,17612,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,71232,17612,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,71232,17612,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71259,17613,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71259,17613,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71259,17613,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71287,17614,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71287,17614,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71287,17614,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,direct,0.251449530,,,,,,,,,,71303,17615,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,71303,17615,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,direct,0.101329118,,,,,,,,,,71303,17615,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71320,17616,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71320,17616,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71320,17616,1
H,1,DMSO,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,71334,17617,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,71359,17618,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.9,external,direct,1,,,,,,,,,,71359,17618,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,71380,17619,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.9,external,direct,1,,,,,,,,,,71380,17619,1
C,,p-dioxane,,,,,,ppm,67.8,,,,,,,1,entry_citation,,,1,entry_citation,71393,1762,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71409,17620,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71409,17620,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71409,17620,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,71428,17621,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,71428,17621,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.0,external,direct,1,,,,,,,,,,71428,17621,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,71445,17622,1
H,1,HDO,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,71445,17622,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,71445,17622,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,71463,17623,1
H,1,HDO,water protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,71463,17623,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,71463,17623,1
H,1,HDO,HDO,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,71482,17625,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,71501,17626,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,71501,17626,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,71501,17626,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71520,17627,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71520,17627,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71520,17627,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71546,17628,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71546,17628,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71546,17628,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71568,17629,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71568,17629,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71568,17629,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,71584,17630,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,71584,17630,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,71584,17630,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,71601,17631,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,71601,17631,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,71601,17631,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71619,17632,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,71619,17632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71619,17632,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71639,17633,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71639,17633,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71639,17633,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71659,17634,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71659,17634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71659,17634,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,71673,17635,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1,,,,,,,,,,71673,17635,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,71673,17635,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71687,17636,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71687,17636,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71687,17636,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71701,17637,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71701,17637,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71701,17637,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71718,17638,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71718,17638,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71718,17638,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71735,17639,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71735,17639,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71735,17639,1
P,31,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,71735,17639,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71754,17640,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71754,17640,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71754,17640,1
C,13,water,protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,71769,17641,1
H,1,water,protons,,,,,ppm,4.53,internal,direct,1.0,,,,,,,,,,71769,17641,1
N,15,water,protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,71769,17641,1
H,1,water,protons,,,,,ppm,4.773,na,direct,1.0,,,,,,,,,,71783,17642,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71801,17643,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71801,17643,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71801,17643,1
H,1,water,protons,,,,,ppm,4.773,na,direct,1.0,,,,,,,,,,71815,17644,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71836,17645,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71836,17645,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71836,17645,1
C,13,dioxane,methylene protons,,,,,ppm,61.5,external,indirect,0.251449530,,,,,,,,,,71861,17646,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71861,17646,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71861,17646,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71875,17647,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71875,17647,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71875,17647,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,71890,17648,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71890,17648,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,1.0,,,,,,,,,,71905,17649,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,,,,,,,,,,,71905,17649,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71922,17650,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71922,17650,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71922,17650,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71938,17651,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71938,17651,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71938,17651,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71956,17652,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71956,17652,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71956,17652,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,71979,17653,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,71979,17653,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,71979,17653,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,1.0,,,,,,,,,,71994,17654,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,,,,,,,,,,,71994,17654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,72010,17655,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72026,17656,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72026,17656,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72026,17656,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,72047,17657,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,72068,17658,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,72089,17659,1
H,,water,,,,,,,4.65,,,,,,,1,entry_citation,,,1,entry_citation,72102,1766,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72121,17660,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,72121,17660,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72121,17660,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72140,17661,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72159,17662,1
C,13,DSS,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,72175,17663,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,72175,17663,1
N,15,DSS,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,72175,17663,1
C,13,DSS,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,72189,17664,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,72189,17664,1
N,15,DSS,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,72189,17664,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,72205,17665,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,72205,17665,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,72205,17665,1
C,13,water,protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,72221,17667,1
H,1,water,protons,,,,,ppm,4.725,external,direct,1.000000000,,,,,,,,,,72221,17667,1
N,15,water,protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,72221,17667,1
C,13,dioxane,methylene carbon,,,,,ppm,0,na,direct,1,,,,,,,,,,72237,17668,1
H,1,TMS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,72237,17668,1
N,15,ammonium chloride,nitrogen,,,,,ppm,0,na,direct,1,,,,,,,,,,72237,17668,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72254,17669,1
H,,DMSO-d6,,,,,,ppm,2.49,,,,,,,1,entry_citation,,,1,entry_citation,72267,1767,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72298,17670,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72298,17670,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72298,17670,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72316,17671,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72316,17671,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72316,17671,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,72333,17672,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,72333,17672,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,72333,17672,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,72353,17673,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72353,17673,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,72353,17673,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,72372,17674,1
H,1,TSP,methylene protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,72372,17674,1
N,15,TSP,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,72372,17674,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72391,17675,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72391,17675,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72391,17675,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,72410,17678,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72410,17678,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,72410,17678,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,72427,17679,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,72427,17679,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,72427,17679,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72450,17680,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72450,17680,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72450,17680,1
C,13,water,protons,,,,,ppm,,na,indirect,0.251449530,,,,,,,,,,72464,17681,1
H,1,water,protons,,,,,ppm,,na,direct,1.000000000,,,,,,,,,,72464,17681,1
N,15,water,protons,,,,,ppm,,na,indirect,0.101329118,,,,,,,,,,72464,17681,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,72479,17682,1
H,1,DSS,methy protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,72479,17682,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,72479,17682,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72507,17683,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72507,17683,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72507,17683,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72526,17685,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72526,17685,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72526,17685,1
C,13,DSS,methyl protons,,,,,ppm,2.6,na,indirect,0.25144953,,,,,,,,,,72548,17686,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72548,17686,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.10132912,,,,,,,,,,72548,17686,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,72567,17687,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72567,17687,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,72567,17687,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72598,17688,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72598,17688,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72598,17688,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,72620,17689,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,72620,17689,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,,,,,,,72633,1769,1
C,13,water,protons,,,,,ppm,4.684,internal,indirect,0.10132900,,,,,,,,,,72647,17690,1
H,1,water,protons,,,,,ppm,4.684,internal,direct,1,,,,,,,,,,72647,17690,1
N,15,water,protons,,,,,ppm,4.684,internal,indirect,0.25144954,,,,,,,,,,72647,17690,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72661,17691,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72661,17691,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72661,17691,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72675,17692,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72675,17692,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72675,17692,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,72695,17693,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,72695,17693,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,72695,17693,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,72711,17694,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,72711,17694,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,72711,17694,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,72731,17695,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72731,17695,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,72731,17695,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72753,17697,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,72769,17698,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,72769,17698,1
H,1,water,protons,,,,,ppm,4.7731,internal,direct,1,,,,,,,,,,72791,17699,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,,,,,,,72804,1770,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72818,17700,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72818,17700,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72841,17701,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72841,17701,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72841,17701,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,72884,17702,1
H,1,HDO,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,79431,18036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72884,17702,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,72884,17702,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,72904,17703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72904,17703,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,72904,17703,1
C,13,dioxane,methyl carbon,,,,,ppm,66.5,external,direct,1,,,,,,,,,,72925,17704,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,72925,17704,1
N,15,ammonium chloride,nitrogen,,,,,ppm,75,external,direct,1,,,,,,,,,,72925,17704,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72945,17705,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72945,17705,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72945,17705,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,72966,17706,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72966,17706,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,72966,17706,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,72987,17707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,72987,17707,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,72987,17707,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,73002,17708,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,73017,17709,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,73030,1771,1
C,13,DSS,alkane carbons,,,,,ppm,40.48,external,direct,1,separate solid-state NMR rotor,,,,,,,,,73060,17710,1
N,15,DSS,alkane carbons,,,,,ppm,40.48,external,indirect,0.4029799,separate solid-state NMR rotor,,,,,,,,,73060,17710,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73083,17711,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73083,17711,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73083,17711,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,73103,17713,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000,,,,,,,,,,73103,17713,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,73103,17713,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,73124,17714,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,73124,17714,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,73124,17714,1
C,13,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,73138,17715,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,73138,17715,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,73138,17715,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73165,17716,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73165,17716,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73165,17716,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,73188,17717,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,73188,17717,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,73188,17717,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73222,17719,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73222,17719,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73222,17719,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,73235,1772,1
C,13,water,protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,73251,17720,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,73251,17720,1
N,15,water,protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,73251,17720,1
C,13,water,protons,,,,,ppm,4.642,na,indirect,0.251449530,,,,,,,,,,73265,17721,1
H,1,water,protons,,,,,ppm,4.642,internal,direct,1.000000000,,,,,,,,,,73265,17721,1
N,15,water,protons,,,,,ppm,4.642,na,indirect,0.101329118,,,,,,,,,,73265,17721,1
C,13,water,protons,,,,,ppm,4.642,na,indirect,0.251449530,,,,,,,,,,73281,17722,1
H,1,water,protons,,,,,ppm,4.642,internal,direct,1.000000000,,,,,,,,,,73281,17722,1
N,15,water,protons,,,,,ppm,4.642,na,indirect,0.101329118,,,,,,,,,,73281,17722,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73302,17723,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73302,17723,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73302,17723,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73323,17724,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73323,17724,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73323,17724,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73339,17725,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73339,17725,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73339,17725,1
C,13,H2O,proton,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,73354,17726,1
H,1,H2O,proton,,,,,ppm,4.9238,internal,direct,1.000000000,,,,,,,,,,73354,17726,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73370,17727,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73370,17727,1
C,13,Adamantane,methylene carbon,,,,,ppm,40.48,external,direct,1,,,,,,,,,,73385,17728,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,39.27,external,direct,1,,,,,,,,,,73385,17728,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73415,17729,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73415,17729,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73415,17729,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,73428,1773,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,73444,17731,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73471,17732,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73471,17732,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73471,17732,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,73486,17733,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73507,17734,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73507,17734,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73507,17734,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73535,17735,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73535,17735,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73535,17735,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73586,17736,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73586,17736,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73586,17736,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73615,17737,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73615,17737,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73615,17737,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73641,17738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73641,17738,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73641,17738,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73665,17739,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73665,17739,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73665,17739,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,73686,17740,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,73686,17740,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,73686,17740,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,73704,17741,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,73704,17741,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,73704,17741,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,73722,17742,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,73722,17742,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,73722,17742,1
C,13,dioxane,methylene protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,73743,17743,1
H,1,dioxane,methylene protons,,,,,ppm,3.53,external,direct,1.0,,,,,,,,,,73743,17743,1
N,15,dioxane,methylene protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,73743,17743,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73758,17744,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73758,17744,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73773,17745,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73773,17745,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73773,17745,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,73789,17746,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,73815,17747,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73815,17747,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,73815,17747,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,73833,17748,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,73833,17748,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,73833,17748,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,73858,17749,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73858,17749,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,73858,17749,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,73873,1775,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73894,17750,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73894,17750,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73894,17750,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,73922,17751,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73922,17751,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,73922,17751,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,73944,17752,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,73944,17752,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,73944,17752,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73969,17753,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73969,17753,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73969,17753,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,73999,17754,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,73999,17754,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,73999,17754,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74018,17755,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74018,17755,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74018,17755,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,74035,17756,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,74035,17756,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,74053,17757,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,74053,17757,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,74070,17758,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,74070,17758,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,74088,17759,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,74088,17759,1
C,13,water,protons,,,,,ppm,4.82,na,indirect,0.251449530,,,,,,,,,,74102,17760,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,74102,17760,1
N,15,water,protons,,,,,ppm,4.82,na,indirect,0.101329118,,,,,,,,,,74102,17760,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449519,,,,,,,,,,74117,17761,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,74117,17761,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,74117,17761,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74136,17762,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74136,17762,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74136,17762,1
H,1,water,protons,,,,,ppm,4.705,internal,direct,1.0,,,,,,,,,,74153,17763,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,74167,17764,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74188,17765,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74203,17766,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74203,17766,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74203,17766,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,74227,17767,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74227,17767,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,74227,17767,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,74247,17768,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,74247,17768,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,74247,17768,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74262,17769,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74262,17769,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74262,17769,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,74277,1777,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74297,17770,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74297,17770,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74297,17770,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74316,17771,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74316,17771,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74316,17771,1
C,13,DSS,methyl carbon,,,,,ppm,0.000,external,direct,1,,,,,,,,,,74338,17772,1
H,1,HDO,H,,,,,ppm,4.812,internal,direct,1,,,,,,,,,,74338,17772,1
N,15,Liquid NH3,N,,,,,ppm,0.000,external,direct,1,,,,,,,,,,74338,17772,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74354,17773,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74354,17773,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74354,17773,1
C,13,ALA,carbonyl carbon,,,,,ppm,177.95,external,direct,1.0,,,,,,,,,,74377,17774,1
C,13,DSS,methyl protons,,,,,ppm,2.60,internal,indirect,0.251449530,,,,,,,,,,74396,17775,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74396,17775,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132912,,,,,,,,,,74396,17775,1
C,13,DSS,methyl protons,,,,,ppm,2.60,internal,indirect,0.251449530,,,,,,,,,,74415,17776,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74415,17776,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132912,,,,,,,,,,74415,17776,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74431,17777,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74431,17777,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74431,17777,1
H,1,water,protons,,,,,ppm,4.700,internal,direct,1.0,,,,,,,,,,74446,17779,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74465,17780,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74465,17780,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74465,17780,1
C,13,water,protons,,,,,ppm,4.69,na,indirect,0.251449530,,,,,,,,,,74479,17781,1
H,1,water,protons,,,,,ppm,4.69,na,direct,1.000000000,,,,,,,,,,74479,17781,1
N,15,water,protons,,,,,ppm,4.69,na,indirect,0.101329118,,,,,,,,,,74479,17781,1
C,13,water,protons,,,,,ppm,0,na,indirect,0,,,,,,,,,,74493,17782,1
H,1,water,protons,,,,,ppm,0,na,direct,0,,,,,,,,,,74493,17782,1
N,15,water,protons,,,,,ppm,0,na,indirect,0,,,,,,,,,,74493,17782,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,74516,17783,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,74516,17783,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,74516,17783,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74544,17784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74544,17784,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74544,17784,1
C,13,DSS,methyl protons,,,,,ppm,0,na,direct,0.251449530,,,,,,,,,,74562,17785,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,74562,17785,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,74562,17785,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,74577,17786,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,74592,17787,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,74609,17788,1
H,1,water,protons,,,,,ppm,4.712,internal,direct,1.000000000,,,,,,,,,,74624,17789,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,74639,1779,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,74657,17790,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,74674,17791,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74691,17792,1
H,1,water,protons,,,,,ppm,4.75,na,direct,1,,,,,,,,,,74691,17792,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74691,17792,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,74706,17793,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74706,17793,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,74706,17793,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,74721,17794,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74721,17794,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,74721,17794,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,74736,17795,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74736,17795,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,74736,17795,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,74751,17796,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74751,17796,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,74751,17796,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,74768,17797,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,74785,17798,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,74803,17799,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74803,17799,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,74803,17799,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,74821,17803,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74821,17803,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74844,17804,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74844,17804,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74844,17804,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74869,17805,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74869,17805,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74869,17805,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,74889,17806,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74889,17806,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,74889,17806,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74918,17807,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74918,17807,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74918,17807,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74935,17808,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74935,17808,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74935,17808,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,74983,17809,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,74983,17809,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,74983,17809,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,75002,1781,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,,,,,,,,,,,75020,17810,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75020,17810,1
N,15,DSS,nitrogen,,,,,ppm,0.00,na,indirect,1.0,,,,,,,,,,75020,17810,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75042,17811,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75042,17811,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75042,17811,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75063,17812,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75063,17812,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75063,17812,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75079,17813,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75079,17813,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75079,17813,1
H,1,water,protons,,,,,ppm,4.707,internal,direct,1,,,,,,,,,,75101,17814,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75117,17815,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75117,17815,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75117,17815,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,75134,17816,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,75152,17817,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1,,,,,,,,,,75152,17817,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,75152,17817,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75172,17818,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75172,17818,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75172,17818,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,75189,17819,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80026,18071,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,75189,17819,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,75189,17819,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75206,17820,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75206,17820,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75206,17820,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,75227,17821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75227,17821,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,75227,17821,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75241,17822,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75241,17822,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75241,17822,1
H,1,water,protons,,,,,ppm,4.82,na,direct,1.0,,,,,,,,,,75259,17823,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75284,17824,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75284,17824,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75284,17824,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,75302,17825,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,75302,17825,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,75302,17825,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75320,17826,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75320,17826,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75320,17826,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,75344,17827,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75367,17828,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75367,17828,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75367,17828,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75381,17829,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75381,17829,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75381,17829,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,75396,1783,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,75413,17830,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,75413,17830,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,75413,17830,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,75430,17831,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,75430,17831,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,75430,17831,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75446,17832,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75446,17832,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75446,17832,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,75460,17833,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,75460,17833,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,75460,17833,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,75482,17834,1
N,15,liquid anhydrous ammonia,protons,,,,,ppm,-379.6,na,indirect,0.101329118,,,,,,,,,,75482,17834,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,direct,1.0,,,,,,,,,,75500,17835,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,75500,17835,1
N,15,NH3,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,75500,17835,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75517,17836,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75517,17836,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75517,17836,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75534,17837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75534,17837,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75534,17837,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,indirect,1,,,,,,,,,,75552,17838,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,75552,17838,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,1,,,,,,,,,,75552,17838,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75574,17839,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75574,17839,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75574,17839,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75597,17840,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75597,17840,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75597,17840,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75619,17841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75619,17841,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75619,17841,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75634,17842,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75634,17842,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75634,17842,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75648,17843,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75648,17843,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75648,17843,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80041,18072,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75665,17844,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75665,17844,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75665,17844,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75685,17845,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,75685,17845,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75685,17845,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75706,17846,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,75706,17846,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75706,17846,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75727,17847,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,75727,17847,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75727,17847,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75748,17848,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,75748,17848,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75748,17848,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75770,17849,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,75770,17849,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75770,17849,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,75785,1785,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75808,17850,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,75808,17850,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75808,17850,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75829,17851,1
F,19,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.9409400,,,,,,,,,,75829,17851,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75829,17851,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75829,17851,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75852,17852,1
F,19,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.9409400,,,,,,,,,,75852,17852,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75852,17852,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75852,17852,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75868,17853,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75868,17853,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75868,17853,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75885,17855,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75885,17855,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75885,17855,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,75899,17856,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,75899,17856,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,75899,17856,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,75899,17856,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,75920,17857,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,75920,17857,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,75920,17857,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,75949,17858,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,75949,17858,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,75949,17858,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,75967,17859,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,75993,17860,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,76015,17861,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,76041,17862,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,76041,17862,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,76041,17862,1
C,13,water,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,76058,17863,1
H,1,water,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76058,17863,1
N,15,water,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,76058,17863,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,76072,17864,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,76072,17864,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,76072,17864,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76092,17865,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76092,17865,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76092,17865,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76111,17866,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76111,17866,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76111,17866,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76128,17867,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76128,17867,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76128,17867,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,76147,17868,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76147,17868,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76147,17868,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,76168,17869,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76168,17869,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76168,17869,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,76183,1787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,76204,17870,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76204,17870,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76204,17870,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,76225,17871,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76225,17871,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76225,17871,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,76246,17872,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76246,17872,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76246,17872,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,76267,17873,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76267,17873,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76267,17873,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,76288,17874,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76288,17874,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,76288,17874,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,76309,17875,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76309,17875,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76309,17875,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76329,17876,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,76351,17877,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,76367,17878,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,76367,17878,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,76367,17878,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76390,17879,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,76390,17879,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76390,17879,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76404,17880,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76404,17880,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76404,17880,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,76418,17881,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,76418,17881,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76437,17882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76464,17883,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76464,17883,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76464,17883,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,76491,17884,1
H,1,water,protons,,,,,ppm,4.95,internal,direct,1.0000000,,,,,,,,,,76491,17884,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,76508,17885,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,,,,,,,,,,,76524,17886,1
H,1,DSS,methyl protons,,,,,ppm,,external,direct,1.0,,,,,,,,,,76524,17886,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,,,,,,,,,,,76524,17886,1
C,13,DSS,protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,76547,17887,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,76547,17887,1
P,31,DSS,85% H3PO4,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,76547,17887,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76563,17888,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76577,17889,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,76577,17889,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,76592,1789,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76614,17890,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,76614,17890,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76614,17890,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,76632,17891,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,76632,17891,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,76649,17892,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76649,17892,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,76649,17892,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76666,17893,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76666,17893,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76666,17893,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76683,17894,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76683,17894,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76683,17894,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76700,17895,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76700,17895,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76700,17895,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76717,17896,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76717,17896,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76717,17896,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76734,17897,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76734,17897,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76734,17897,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76751,17898,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76751,17898,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76751,17898,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,76768,17899,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76768,17899,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,76768,17899,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,76804,17900,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76804,17900,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,76804,17900,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76820,17901,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76820,17901,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76820,17901,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76849,17902,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,76849,17902,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76849,17902,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76868,17903,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76887,17904,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76904,17905,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76904,17905,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76904,17905,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76923,17906,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76923,17906,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76923,17906,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,76923,17906,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,76949,17907,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76949,17907,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,76949,17907,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,76949,17907,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,76964,17908,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,76979,17909,1
H,1,water,protons,,,,,ppm,4.66,internal,indirect,1.000000000,,,,,,,,,,76979,17909,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,76979,17909,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,76994,1791,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,9.865,,,,,,,,,,77010,17910,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,3.977,,,,,,,,,,77010,17910,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77030,17911,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77030,17911,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77030,17911,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77044,17912,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77044,17912,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77044,17912,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77058,17913,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77058,17913,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77058,17913,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,77058,17913,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77076,17914,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77076,17914,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77092,17915,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77092,17915,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77092,17915,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77108,17916,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77108,17916,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77108,17916,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77124,17917,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77124,17917,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77124,17917,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,77138,17918,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,77138,17918,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,77138,17918,1
H,1,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,77152,17919,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77166,17920,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77166,17920,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77166,17920,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,77166,17920,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77184,17921,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77184,17921,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,77202,17922,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,77202,17922,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,77202,17922,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77219,17923,1
H,1,water,protons,,,,,ppm,4.75,na,direct,1,,,,,,,,,,77219,17923,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77219,17923,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77235,17924,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77235,17924,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77235,17924,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77253,17925,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77253,17925,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77253,17925,1
C,13,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,77276,17926,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,77276,17926,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,77276,17926,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77297,17927,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77297,17927,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77297,17927,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,77320,17928,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,77320,17928,1
N,15,urea,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,77320,17928,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,77344,17929,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,77344,17929,1
N,15,urea,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,77344,17929,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,77359,1793,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,77377,17930,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,77377,17930,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,77377,17930,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,77396,17931,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,77396,17931,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,77396,17931,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,77414,17932,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,77414,17932,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77429,17934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77429,17934,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77429,17934,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,77445,17935,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,77445,17935,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,77445,17935,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,77466,17936,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,77466,17936,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,77466,17936,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77484,17937,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77484,17937,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77500,17938,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77500,17938,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77500,17938,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77517,17939,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77517,17939,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77517,17939,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,77517,17939,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77532,17940,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77532,17940,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77532,17940,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,77554,17941,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,77554,17941,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,77554,17941,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77575,17942,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77575,17942,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77575,17942,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77592,17943,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,77592,17943,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77592,17943,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77607,17944,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77607,17944,1
C,13,Trimethyl silyl propionate,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,77626,17945,1
N,15,Trimethyl silyl propionate,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,77626,17945,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77646,17946,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77646,17946,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77646,17946,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,77669,17947,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77669,17947,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77691,17948,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77691,17948,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77691,17948,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,77705,17949,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,77720,1795,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77734,17950,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77734,17950,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77734,17950,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77752,17952,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77752,17952,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77752,17952,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,e.g. separate NMR sample tube similar to the experimental one,cylindrical,,,,,,,,77770,17953,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,77785,17955,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,77785,17955,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,77785,17955,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,77804,17956,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77819,17957,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77819,17957,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77819,17957,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,77833,17958,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,77833,17958,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,77833,17958,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144952,,,,,,,,,,77847,17959,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77847,17959,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.10132905,,,,,,,,,,77847,17959,1
C,13,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,77867,17960,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,77867,17960,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,77867,17960,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77889,17961,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77889,17961,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,77913,17962,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77913,17962,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,77913,17962,1
H,1,TSP,protons,,,,,ppm,4.754,internal,direct,1,,,,,,,,,,77930,17963,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.93,internal,direct,1,,,,,,,,,,77930,17963,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,77947,17964,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,77947,17964,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,77947,17964,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,,,,,,,77975,17965,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,77975,17965,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,,,,,,,77975,17965,1
C,13,water,protons,,,,,ppm,4.766,internal,indirect,0.251449530,,,,,,"pH, temperature, ionic strength",,,,77999,17966,1
H,1,water,protons,,,,,ppm,4.766,internal,direct,1.0,,,,,,"pH, temperature, ionic strength",,,,77999,17966,1
N,15,water,protons,,,,,ppm,4.766,internal,indirect,0.101329118,,,,,,"pH, temperature, ionic strength",,,,77999,17966,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78022,17967,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,78022,17967,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78022,17967,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78044,17968,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,78044,17968,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78044,17968,1
H,1,water,protons,,,,,ppm,4.828,internal,direct,1,,,,,,,,,,78065,17969,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,78080,1797,1
H,1,water,protons,,,,,ppm,4.828,internal,direct,1,,,,,,,,,,78103,17970,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78151,17971,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78151,17971,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78151,17971,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78183,17972,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78183,17972,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,78205,17973,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,78205,17973,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,78205,17973,1
C,13,water,protons,,,,,ppm,4.7,external,indirect,0.25144953,,,,,,,,,,78220,17974,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,78220,17974,1
N,15,water,protons,,,,,ppm,4.7,external,indirect,0.101329118,,,,,,,,,,78220,17974,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,78239,17975,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,78239,17975,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,78239,17975,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,78258,17976,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,78258,17976,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,78258,17976,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,78277,17977,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,78277,17977,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,78277,17977,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78296,17978,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78296,17978,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78296,17978,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,78314,17979,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,78327,1798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78341,17980,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,78356,17981,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,78356,17981,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,78375,17982,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,78375,17982,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,78395,17983,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,78395,17983,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,78414,17985,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,78414,17985,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,78414,17985,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78433,17986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78448,17987,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,78462,17988,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,78481,17989,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,78481,17989,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,78481,17989,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,78494,1799,1
C,13,DSS,methyl protons,,,,,Hz,-394.78,internal,indirect,0.25144953,,,,,,,,,,78511,17990,1
H,1,DSS,methyl protons,,,,,Hz,30.95,internal,direct,1,,,,,,,,,,78511,17990,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,78528,17991,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,78528,17991,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,78528,17991,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,78545,17992,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,78545,17992,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,78545,17992,1
C,13,TSP,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,78560,17993,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,78560,17993,1
N,15,TSP,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,78560,17993,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,78577,17994,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,78577,17994,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,78577,17994,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78599,17995,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78599,17995,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78599,17995,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,78619,17996,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,78619,17996,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,78619,17996,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,78637,17997,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78654,17998,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78654,17998,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78654,17998,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78671,17999,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78671,17999,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78671,17999,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,78685,18,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,78698,180,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,78711,1800,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25145002,,,,,,,,,,78731,18000,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,direct,1.0000000000,,,,,,,,,,78731,18000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.1013291444,,,,,,,,,,78731,18000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78749,18001,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78749,18001,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78749,18001,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78771,18002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78771,18002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78771,18002,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78791,18003,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78791,18003,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78791,18003,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,78816,18004,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,78816,18004,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,78816,18004,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78837,18005,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78837,18005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78837,18005,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78858,18006,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78858,18006,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78858,18006,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78879,18007,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78879,18007,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78879,18007,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,78900,18008,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,78900,18008,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,78900,18008,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1,,,,,,,,,,78914,18009,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,78927,1801,1
C,13,acetate,methyl carbon,,,,,ppm,25.85,na,direct,1.0,,,,,,,,,,78947,18010,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,78947,18010,1
N,15,urea,nitrogen,,,,,ppm,78.98,na,direct,1.0,,,,,,,,,,78947,18010,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,78961,18011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,78961,18011,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,78961,18011,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,insert at center of experimental sample tube,,,,,,,,,78985,18012,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,,,,,,,,,78985,18012,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,insert at center of experimental sample tube,,,,,,,,,78985,18012,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79007,18013,1
H,1,HDO,solvent,,,,,ppm,4.705,internal,direct,1.0,,,,,,,,,,79007,18013,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79007,18013,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,79007,18013,1
H,1,water,protons,,,,,ppm,4.7735,internal,direct,1,,,,,,,,,,79023,18014,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79043,18015,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79043,18015,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79043,18015,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79065,18016,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79065,18016,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79065,18016,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79084,18017,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79084,18017,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79084,18017,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,79084,18017,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79103,18018,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79103,18018,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79103,18018,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251,,,,,,,,,,79119,18019,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,79119,18019,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,79132,1802,1
C,13,water,protons,,,,,ppm,4.7546646,na,indirect,0.251449530,,,,,,,,,,79148,18020,1
H,1,water,protons,,,,,ppm,4.7546646,internal,direct,1.000000000,,,,,,,,,,79148,18020,1
N,15,water,protons,,,,,ppm,4.7546646,na,indirect,0.101329118,,,,,,,,,,79148,18020,1
C,13,water,protons,,,,,ppm,4.7546646,na,indirect,0.251449530,,,,,,,,,,79165,18021,1
H,1,water,protons,,,,,ppm,4.7546646,internal,direct,1.000000000,,,,,,,,,,79165,18021,1
N,15,water,protons,,,,,ppm,4.7546646,na,indirect,0.101329118,,,,,,,,,,79165,18021,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,insert at outer edge of experimental sample tube,cylindrical,,,,,,,,79180,18022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79195,18023,1
C,13,adamantane,methyl carbon,,,,,ppm,31.48,external,indirect,1,,,,,,,,,,79211,18024,1
N,15,Ala-Gly-Gly,nitrogen,,,,,ppm,38.9,external,indirect,1,,,,,,,,,,79211,18024,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,79226,18025,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,79226,18025,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79246,18026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79246,18026,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79246,18026,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,79263,18027,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,79263,18027,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,79263,18027,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,79278,18028,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,79278,18028,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,79278,18028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79296,18029,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79296,18029,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79296,18029,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,79309,1803,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,79330,18031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,79330,18031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,79330,18031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79379,18032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79379,18032,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79379,18032,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79459,18037,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.000000000,,,,,,,,,,79459,18037,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79459,18037,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,indirect,1,separate NMR sample tube similar to the experimental one,cylindrical,Parallel,,,,,,,79493,18039,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,separate NMR sample tube similar to the experimental one,cylindrical,Parallel,,,,,,,79493,18039,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate NMR sample tube similar to the experimental one,cylindrical,Parallel,,,,,,,79493,18039,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1,,,,,,,,,,79509,18040,1
C,13,TMS,methyl carbons,,,,,ppm,2.6,na,indirect,1.0,,,,,,,,,,79524,18041,1
H,1,TMS,methyl protons,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,79524,18041,1
N,15,TMS,nitrogen,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,79524,18041,1
C,13,TMS,methyl carbons,,,,,ppm,2.6,na,indirect,1.0,,,,,,,,,,79540,18042,1
H,1,TMS,methyl protons,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,79540,18042,1
N,15,TMS,nitrogen,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,79540,18042,1
C,13,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144954,,,,,,,,,,79560,18043,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.00000000,,,,,,,,,,79560,18043,1
C,13,DSS,methyl protons,,,,,ppm,2.6,internal,indirect,0.25144953,,,,,,,,,,79578,18044,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79578,18044,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,79578,18044,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79595,18045,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79595,18045,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79595,18045,1
C,13,TSP,methyl protons,,,,,ppm,0,na,indirect,0.251449530,other,,,,,,,,,79618,18046,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,79618,18046,1
N,15,TSP,methyl protons,,,,,ppm,0,na,indirect,0.101329118,other,,,,,,,,,79618,18046,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79633,18047,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79633,18047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79633,18047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79655,18048,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79655,18048,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79655,18048,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79672,18049,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79672,18049,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79672,18049,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1,,,,,,,,,,79690,18050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79712,18051,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79712,18051,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79712,18051,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,capilary in NMR tube,,,,,,,,,79733,18052,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,79754,18053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,79754,18053,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,79754,18053,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79771,18054,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79771,18054,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79786,18055,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79786,18055,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79801,18056,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79801,18056,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79816,18057,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79816,18057,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79831,18058,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79831,18058,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79846,18059,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79846,18059,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79861,18060,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79861,18060,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79876,18061,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79876,18061,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79891,18062,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79891,18062,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79906,18063,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79906,18063,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79921,18064,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79921,18064,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79936,18065,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79936,18065,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79951,18066,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79951,18066,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79966,18067,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79966,18067,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79981,18068,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79981,18068,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,79996,18069,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,79996,18069,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80011,18070,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80011,18070,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80026,18071,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80041,18072,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80056,18073,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80056,18073,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80071,18074,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80071,18074,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80086,18075,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80086,18075,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80101,18076,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80101,18076,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80116,18077,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80116,18077,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,80131,18078,1
N,15,urea,nitrogen,,,,,ppm,110,na,direct,1.0,,,,,,,,,,80131,18078,1
H,1,HDO,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,80148,18079,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,80162,1808,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80182,18080,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80182,18080,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80182,18080,1
C,13,DSS,methyl protons,,,,,ppm,-2.74,na,indirect,0.25144953,,,,,,,,,,80205,18081,1
H,1,DSS,methyl protons,,,,,ppm,-0.076,external,direct,1.00,,,,,,,,,,80205,18081,1
N,15,DSS,methyl protons,,,,,ppm,-0.10,na,indirect,0.10132911,,,,,,,,,,80205,18081,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80224,18082,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80224,18082,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80224,18082,1
C,13,TMS,methyl carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,80240,18083,1
H,1,TMS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,80240,18083,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,80240,18083,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80258,18084,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80258,18084,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80258,18084,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80274,18085,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80292,18086,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80292,18086,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80292,18086,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,80318,18087,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,80318,18087,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,80318,18087,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80345,18088,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80345,18088,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80345,18088,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80362,18089,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80362,18089,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80362,18089,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80384,18090,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80384,18090,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80384,18090,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80406,18091,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80406,18091,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80406,18091,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80437,18092,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80437,18092,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80437,18092,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80457,18093,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80457,18093,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80457,18093,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,80480,18094,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,80480,18094,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,80480,18094,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80503,18095,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80503,18095,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80503,18095,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80520,18096,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80520,18096,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80520,18096,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80540,18097,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80540,18097,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80540,18097,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80568,18098,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80568,18098,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80568,18098,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80599,18099,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80599,18099,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80599,18099,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,80612,181,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80630,18101,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,80630,18101,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80630,18101,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80646,18102,1
C,13,DSS,methyl protons,,,,,ppm,-2.698,internal,indirect,0.251449530,,,,,,,,,,80670,18103,1
H,1,DSS,methyl protons,,,,,ppm,-0.02992,internal,direct,1.000000000,,,,,,,,,,80670,18103,1
N,15,DSS,methyl protons,,,,,ppm,-0.05215,internal,indirect,0.101329118,,,,,,,,,,80670,18103,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,80689,18104,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0,,,,,,,,,,80690,18104,2
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,80710,18105,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0,,,,,,,,,,80711,18105,2
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,80734,18106,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0,,,,,,,,,,80735,18106,2
C,13,DSS,methyl protons,,,,,ppm,43.91,na,indirect,0.101329118,,,,,,,,,,80750,18107,1
H,1,water,protons,,,,,ppm,4.747,na,direct,1.0,,,,,,,,,,80750,18107,1
N,15,DSS,methyl protons,,,,,ppm,117.100,na,indirect,0.251449530,,,,,,,,,,80750,18107,1
C,13,Adamantane,methylene carbons,,,,,ppm,38.48,external,direct,1.0,,,,,,,,,,80766,18108,1
N,15,calculated from 13C SR,methylene carbons,,,,,ppm,38.48,external,direct,,,,,,,,,,,80766,18108,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251,,,,,,,,,,80781,18109,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1.0,,,,,,,,,,80781,18109,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101,,,,,,,,,,80781,18109,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,80794,1811,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80808,18110,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80808,18110,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80808,18110,1
C,13,water,methyl carbon,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,80824,18111,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,80824,18111,1
N,15,water,nitrogen,,,,,ppm,0,internal,indirect,0.1,,,,,,,,,,80824,18111,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80855,18112,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80855,18112,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80855,18112,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,80871,18113,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80871,18113,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80871,18113,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80886,18114,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80886,18114,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80886,18114,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,80906,18115,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,80906,18115,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,80906,18115,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80954,18118,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80954,18118,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80954,18118,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,80954,18118,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,80978,18119,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,80978,18119,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,80978,18119,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,80991,1812,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81012,18121,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81012,18121,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81012,18121,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81032,18122,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81032,18122,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81032,18122,1
C,13,DSS,methyl carbon,,,,,ppm,175.20,na,indirect,0.25144953,,,,,,,,,,81049,18123,1
H,1,water,protons,,,,,ppm,4.40,internal,direct,1.00000000,,,,,,,,,,81049,18123,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,117.81,na,indirect,0.10132912,,,,,,,,,,81049,18123,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81063,18124,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81063,18124,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81063,18124,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,81063,18124,1
C,13,DSS,methyl carbon,,,,,ppm,175.20,na,indirect,0.25144953,,,,,,,,,,81082,18125,1
H,1,water,protons,,,,,ppm,4.40,internal,direct,1.00000000,,,,,,,,,,81082,18125,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,117.81,na,indirect,0.10132912,,,,,,,,,,81082,18125,1
C,13,DSS,methyl protons,,,,,ppm,0.07,internal,indirect,0.251449530,,,,,,,,,,81097,18126,1
H,1,DSS,methyl protons,,,,,ppm,0.07,internal,direct,1.000000000,,,,,,,,,,81097,18126,1
N,15,DSS,methyl protons,,,,,ppm,0.07,internal,indirect,0.101329118,,,,,,,,,,81097,18126,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,81112,18127,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,indirect,0.4002979954,,,,,,,,,,81112,18127,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,81127,18128,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,81127,18128,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,81142,18129,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,81155,1813,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,81170,18130,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,81170,18130,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013291,,,,,,,,,,81170,18130,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,81185,18131,1
H,1,DSS,methyl protons,,,,,ppm,6.1,internal,indirect,1,,,,,,,,,,81203,18132,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81217,18133,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81217,18133,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81217,18133,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81234,18134,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81234,18134,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81234,18134,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,81253,18135,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,81253,18135,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132912,,,,,,,,,,81253,18135,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81271,18137,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81271,18137,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81271,18137,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,81271,18137,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81288,18138,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81288,18138,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81288,18138,1
H,,H2O/HDO,,,,,,ppm,3.4,,,,,,,1,entry_citation,,,1,entry_citation,81301,1814,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.25144953,,,,,,,,,,81320,18141,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.000000000,,,,,,,,,,81320,18141,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.101329118,,,,,,,,,,81320,18141,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1,,,,,,,,,,81339,18142,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81377,18145,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81377,18145,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81377,18145,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,81394,18146,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,81409,18147,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00,,,,,,,,,,81409,18147,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,81409,18147,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,81423,18148,1
H,,H2O/HDO,,,,,,ppm,3.4,,,,,,,1,entry_citation,,,1,entry_citation,81436,1815,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81458,18151,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81458,18151,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81458,18151,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,direct,,,,,,,,,,,81476,18152,1
H,1,TSP,methyl carbon,,,,,ppm,0,external,direct,,,,,,,,,,,81476,18152,1
N,15,TSP,nitrogen,,,,,ppm,0,external,direct,,,,,,,,,,,81476,18152,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81490,18153,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81490,18153,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81490,18153,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,81507,18154,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,81507,18154,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,81507,18154,1
C,13,TSP,protons,,,,,ppm,0.000,internal,indirect,0.25144954,,,,,,,,,,81525,18155,1
H,1,TSP,protons,,,,,ppm,-0.015,internal,direct,1,,,,,,,,,,81525,18155,1
N,15,TSP,protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,81525,18155,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81569,18156,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81569,18156,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81569,18156,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81584,18157,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81584,18157,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81584,18157,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81629,18158,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81629,18158,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81629,18158,1
H,1,TFE,H,,,,,ppm,5.02,internal,direct,1.0,,,,,,,,,,81647,18159,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,81660,1816,1
H,1,TFE,H,,,,,ppm,5.02,internal,direct,1.0,,,,,,,,,,81678,18160,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81706,18161,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81706,18161,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81706,18161,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1,,,,,,,,,,81723,18162,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1,,,,,,,,,,81738,18163,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1,,,,,,,,,,81753,18164,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,81774,18165,1
H,1,water,protons,,,,,ppm,4.783,internal,indirect,1,,,,,,,,,,81774,18165,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,81774,18165,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81803,18166,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81803,18166,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81803,18166,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81823,18167,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81823,18167,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81823,18167,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81845,18169,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,81845,18169,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81845,18169,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,81859,1817,1
C,13,DSS,solid CH,,,,,ppm,0.00,external,direct,1,,,,,,,,,,81875,18170,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,external,direct,1,,,,,,,,,,81875,18170,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81892,18171,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81892,18171,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81892,18171,1
C,13,ALA,carbonyl carbon,,,,,ppm,177.95,external,direct,1.0,,,,,,,,,,81906,18175,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81923,18176,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81923,18176,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81923,18176,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,81940,18177,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,81940,18177,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,81940,18177,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,81960,18178,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,81960,18178,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,81960,18178,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,81979,18179,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,81979,18179,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,81979,18179,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82016,18180,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82016,18180,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82016,18180,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82037,18181,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82037,18181,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82037,18181,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,82037,18181,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82057,18182,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82057,18182,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82057,18182,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82074,18183,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82074,18183,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82074,18183,1
C,13,Adamantane,methyl carbon,,,,,ppm,31.48,external,direct,1,,,,,,,,,,82089,18184,1
N,15,AGG,nitrogen,,,,,ppm,38.9,external,direct,1,,,,,,,,,,82089,18184,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,82106,18185,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,82106,18185,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.2551449530,,,,,,,,,,82130,18186,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,82130,18186,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,82130,18186,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.2551449530,,,,,,,,,,82155,18187,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,82155,18187,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,82155,18187,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82171,18188,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82171,18188,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82171,18188,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82187,18189,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82187,18189,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82187,18189,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,82200,1819,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82217,18190,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82217,18190,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82217,18190,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449519,,,,,,,,,,82240,18191,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,82240,18191,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329112,,,,,,,,,,82240,18191,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449519,,,,,,,,,,82270,18192,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,82270,18192,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329112,,,,,,,,,,82270,18192,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82294,18193,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82294,18193,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82294,18193,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82315,18194,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82315,18194,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82315,18194,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82336,18195,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82336,18195,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82336,18195,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,82353,18196,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,82353,18196,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,82353,18196,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82368,18197,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82368,18197,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82368,18197,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82384,18198,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82384,18198,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82384,18198,1
H,1,water,protons,,,,,ppm,4.80,na,direct,1,,,,,,,,,,82401,18199,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,82414,182,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,82427,1820,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82444,18200,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82444,18200,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82444,18200,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82459,18201,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82459,18201,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82459,18201,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82477,18202,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82477,18202,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82477,18202,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82496,18203,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82496,18203,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82496,18203,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82510,18204,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82510,18204,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82510,18204,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82525,18205,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82525,18205,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82525,18205,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82543,18206,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82543,18206,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82543,18206,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.000,,,,,,,,,,82558,18207,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,0.403,,,,,,,,,,82558,18207,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.0,,,,,,,,,,82573,18208,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,0.403,,,,,,,,,,82573,18208,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,82591,18209,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,82604,1821,1
C,13,ammonium chloride,nitrogen,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,82623,18210,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,82623,18210,1
N,15,acetate,methyl carbon,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,82623,18210,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82638,18211,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82638,18211,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82638,18211,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82663,18214,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82663,18214,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82663,18214,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82703,18215,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82703,18215,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82703,18215,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82721,18216,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82721,18216,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82721,18216,1
C,13,water,protons,,,,,ppm,4.703,internal,indirect,0.25144953,,,,,,,,,,82743,18217,1
H,1,water,protons,,,,,ppm,4.703,internal,direct,1.0,,,,,,,,,,82743,18217,1
N,15,water,protons,,,,,ppm,4.703,internal,indirect,0.101329118,,,,,,,,,,82743,18217,1
C,13,water,protons,,,,,ppm,4.703,internal,indirect,0.25144953,,,,,,,,,,82770,18218,1
H,1,water,protons,,,,,ppm,4.703,internal,direct,1.0,,,,,,,,,,82770,18218,1
N,15,water,protons,,,,,ppm,4.703,internal,indirect,0.101329118,,,,,,,,,,82770,18218,1
C,13,water,protons,,,,,ppm,4.703,internal,indirect,0.25144953,,,,,,,,,,82790,18219,1
H,1,water,protons,,,,,ppm,4.703,internal,direct,1.0,,,,,,,,,,82790,18219,1
N,15,water,protons,,,,,ppm,4.703,internal,indirect,0.101329118,,,,,,,,,,82790,18219,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,82803,1822,1
C,13,water,protons,,,,,ppm,4.703,internal,indirect,0.25144953,,,,,,,,,,82827,18220,1
H,1,water,protons,,,,,ppm,4.703,internal,direct,1.0,,,,,,,,,,82827,18220,1
N,15,water,protons,,,,,ppm,4.703,internal,indirect,0.101329118,,,,,,,,,,82827,18220,1
C,13,water,protons,,,,,ppm,4.703,internal,indirect,0.25144953,,,,,,,,,,82851,18221,1
H,1,water,protons,,,,,ppm,4.703,internal,direct,1.00000000,,,,,,,,,,82851,18221,1
N,15,water,protons,,,,,ppm,4.703,internal,indirect,0.101329118,,,,,,,,,,82851,18221,1
C,13,water,protons,,,,,ppm,4.703,internal,indirect,0.25144953,,,,,,,,,,82874,18222,1
H,1,water,protons,,,,,ppm,4.703,internal,direct,1.0,,,,,,,,,,82874,18222,1
N,15,water,protons,,,,,ppm,4.703,internal,indirect,0.101329118,,,,,,,,,,82874,18222,1
C,13,water,protons,,,,,ppm,4.703,internal,indirect,0.25144953,,,,,,,,,,82898,18223,1
H,1,water,protons,,,,,ppm,4.703,internal,direct,1,,,,,,,,,,82898,18223,1
N,15,water,protons,,,,,ppm,4.703,internal,indirect,0.101329118,,,,,,,,,,82898,18223,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82915,18224,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82915,18224,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82915,18224,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,82915,18224,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82947,18225,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82947,18225,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82947,18225,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,82947,18225,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,82983,18226,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,82983,18226,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,82983,18226,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,82983,18226,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83016,18227,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83016,18227,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83016,18227,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,83016,18227,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83046,18228,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83046,18228,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83046,18228,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83075,18229,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83075,18229,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83075,18229,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83101,18230,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83101,18230,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83101,18230,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,83136,18231,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,83136,18231,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,83136,18231,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,83164,18232,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,83164,18232,1
C,13,Adamantane,methylene carbons,,,,,ppm,31.47,external,direct,1.0,,,,,,,,,,83165,18232,2
N,15,Adamantane,methylene carbons,,,,,ppm,31.47,external,indirect,0.402979946,,,,,,,,,,83165,18232,2
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83180,18234,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83180,18234,1
C,13,TSP,carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,83195,18235,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,83195,18235,1
N,15,ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,83195,18235,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,83213,18236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,83213,18236,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,83213,18236,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,83229,18237,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,83229,18237,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,83229,18237,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83253,18238,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83253,18238,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83253,18238,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,83267,18239,1
P,31,phosphoric acid (85%),protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,83267,18239,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,83281,18240,1
P,31,phosphoric acid (85%),protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,83281,18240,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83297,18242,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83297,18242,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83297,18242,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.000,,,,,,,,,,83314,18243,1
H,1,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,3.977,,,,,,,,,,83314,18243,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,0.403,,,,,,,,,,83314,18243,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83341,18244,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83341,18244,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83341,18244,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,83357,18245,1
H,1,TSP,methyl protons,,,,,ppm,0.10,internal,direct,1.000000000,,,,,,,,,,83357,18245,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,83357,18245,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,83373,18246,1
H,1,TSP,methyl protons,,,,,ppm,0.10,internal,direct,1.000000000,,,,,,,,,,83373,18246,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,83373,18246,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,83391,18248,1
N,15,TMS,methyl protons,,,,,ppm,0,na,indirect,0.10132912,,,,,,,,,,83391,18248,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83406,18249,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83406,18249,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83406,18249,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,83419,1825,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83435,18250,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83435,18250,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83435,18250,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83457,18251,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83457,18251,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83457,18251,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83483,18252,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83483,18252,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83483,18252,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83499,18253,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83499,18253,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83499,18253,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.000000000,,,,,,,,,,83515,18254,1
N,15,water,protons,,,,,ppm,4.70,na,indirect,0.101329112,,,,,,,,,,83515,18254,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83536,18255,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83536,18255,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83536,18255,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83554,18256,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83554,18256,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83554,18256,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,83571,18257,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,83571,18257,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,83571,18257,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,83593,1826,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83607,18260,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83607,18260,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83607,18260,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,83630,18261,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,83630,18261,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,83630,18261,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,83649,18262,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,83649,18262,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,83649,18262,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83687,18263,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83687,18263,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83687,18263,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144953,,,,,,,,,,83704,18265,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,direct,1,,,,,,,,,,83704,18265,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83704,18265,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83722,18266,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83722,18266,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83722,18266,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83738,18267,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83738,18267,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83738,18267,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83754,18268,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83754,18268,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83754,18268,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83772,18269,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83772,18269,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83772,18269,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,83787,18276,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,83787,18276,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83806,18277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83806,18277,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83806,18277,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83827,18278,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83827,18278,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83827,18278,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83844,18279,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83844,18279,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83844,18279,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,83844,18279,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,83860,18280,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,83860,18280,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,83860,18280,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83876,18281,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83876,18281,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83876,18281,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,83896,18282,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,83896,18282,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,83896,18282,1
C,13,DSS,methyl protons,,,,,ppm,0.03,external,indirect,0.251449530,,,,,,,,,,83911,18283,1
H,1,DSS,methyl protons,,,,,ppm,0.03,external,direct,1.000000000,,,,,,,,,,83911,18283,1
N,15,DSS,methyl protons,,,,,ppm,0.03,external,indirect,0.101329118,,,,,,,,,,83911,18283,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83926,18284,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,83945,18285,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,83945,18285,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83960,18286,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,83975,18287,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,83993,18288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,83993,18288,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,83993,18288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84008,18289,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84035,18290,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84035,18290,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84035,18290,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84051,18291,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84051,18291,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84051,18291,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,84051,18291,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84070,18292,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84070,18292,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84070,18292,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,84070,18292,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84086,18293,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84086,18293,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84086,18293,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,84086,18293,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84102,18294,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84102,18294,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84102,18294,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,84102,18294,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84118,18295,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84118,18295,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84118,18295,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,84118,18295,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84138,18296,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84138,18296,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84138,18296,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84155,18297,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84155,18297,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84155,18297,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84172,18298,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84172,18298,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84172,18298,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84192,18299,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84192,18299,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84192,18299,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,84205,183,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84222,18300,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84222,18300,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84239,18301,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84239,18301,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84239,18301,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84264,18302,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84264,18302,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84264,18302,1
C,13,water,protons,,,,,ppm,4.772,na,indirect,0.251449530,,,,,,,,,,84280,18303,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1,,,,,,,,,,84280,18303,1
N,15,water,protons,,,,,ppm,4.772,na,indirect,0.101329118,,,,,,,,,,84280,18303,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84331,18306,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84331,18306,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84331,18306,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84351,18307,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84351,18307,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84351,18307,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,84370,18308,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,84370,18308,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,84385,18309,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,84385,18309,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,84385,18309,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,84401,18310,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,84401,18310,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,84401,18310,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84417,18312,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84417,18312,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84417,18312,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84436,18313,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84436,18313,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84436,18313,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84456,18314,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84456,18314,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84456,18314,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84476,18315,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84476,18315,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84476,18315,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,,,,,,,,,,,84491,18316,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,84491,18316,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,,,,,,,,,,,84491,18316,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84510,18317,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84510,18317,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84510,18317,1
C,13,dioxane,methylene carbon,,,,,ppm,69.3,external,indirect,0,,,,,,,,,,84538,18318,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84538,18318,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84538,18318,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84554,18319,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84554,18319,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84554,18319,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,other,,,,,,,,,84576,18320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84593,18321,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84593,18321,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84593,18321,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,84593,18321,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84612,18322,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84612,18322,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84612,18322,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84631,18323,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84631,18323,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84631,18323,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,84648,18324,1
H,1,water,protons,,,,,ppm,4.7729,internal,indirect,1,,,,,,,,,,84648,18324,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,84648,18324,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84667,18325,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84667,18325,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84667,18325,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84689,18326,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84689,18326,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84689,18326,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84709,18327,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84709,18327,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84709,18327,1
C,13,dioxane,methylene carbons,,,,,ppm,69.3,external,direct,1.0,,,,,,,,,,84738,18328,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84738,18328,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84738,18328,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84755,18329,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84755,18329,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84755,18329,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84777,18331,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,84777,18331,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84777,18331,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,84797,18332,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,84797,18332,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,84797,18332,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84815,18333,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84815,18333,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84815,18333,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,84815,18333,1
C,13,water,protons,,,,,ppm,4.69,internal,indirect,0.251449519,,,,,,,,,,84833,18334,1
H,1,water,protons,,,,,ppm,4.69,internal,direct,1,,,,,,,,,,84833,18334,1
N,15,water,protons,,,,,ppm,4.69,internal,indirect,0.101329112,,,,,,,,,,84833,18334,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84851,18335,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84867,18336,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84867,18336,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84867,18336,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84906,18337,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84906,18337,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84906,18337,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84925,18338,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84925,18338,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84925,18338,1
C,13,water,protons,,,,,ppm,4.526,internal,indirect,0.251449530,,,,,,,,,,84939,18339,1
H,1,water,protons,,,,,ppm,4.526,internal,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,4.526ppm from DSS at 323K,4.526,,,84939,18339,1
N,15,water,protons,,,,,ppm,4.526,internal,indirect,0.101329118,,,,,,,,,,84939,18339,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84955,18340,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84955,18340,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84955,18340,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84975,18341,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84975,18341,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84975,18341,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,84991,18342,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,84991,18342,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,84991,18342,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85007,18344,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,85007,18344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85007,18344,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85028,18345,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85028,18345,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85028,18345,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85047,18346,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85047,18346,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85047,18346,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85065,18347,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85079,18348,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85079,18348,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85079,18348,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85098,18349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85098,18349,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85098,18349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,85112,18350,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85170,18351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85170,18351,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85170,18351,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85206,18352,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85206,18352,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85206,18352,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85223,18353,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85223,18353,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85223,18353,1
H,1,water,protons,,,,,ppm,4.69,internal,direct,1.0,,,,,,,,,,85240,18354,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85257,18355,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85257,18355,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85257,18355,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85278,18356,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85278,18356,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85278,18356,1
H,1,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,85296,18357,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,85296,18357,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,85315,18358,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,85315,18358,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85331,18359,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85331,18359,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85331,18359,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85350,18360,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85350,18360,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85350,18360,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85369,18361,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85369,18361,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85369,18361,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85388,18362,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85388,18362,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85388,18362,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85409,18363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85409,18363,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85409,18363,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85428,18364,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85428,18364,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85428,18364,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85444,18365,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85444,18365,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85444,18365,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85459,18366,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85459,18366,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85474,18367,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85474,18367,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85489,18368,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85489,18368,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85504,18369,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85504,18369,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85519,18370,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85519,18370,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85533,18371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85533,18371,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85533,18371,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85573,18372,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85573,18372,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85573,18372,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85588,18373,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85588,18373,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85588,18373,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85609,18374,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85609,18374,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85609,18374,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85625,18375,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85625,18375,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85625,18375,1
C,13,water,protons,,,,,ppm,4.725,internal,indirect,0.251449530,,,,,,,,,,85640,18376,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1,,,,,,,,,,85640,18376,1
N,15,water,protons,,,,,ppm,4.725,internal,indirect,0.101329118,,,,,,,,,,85640,18376,1
C,13,water,protons,,,,,ppm,4.725,internal,indirect,0.251449530,,,,,,,,,,85656,18377,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1,,,,,,,,,,85656,18377,1
N,15,water,protons,,,,,ppm,4.725,internal,indirect,0.101329118,,,,,,,,,,85656,18377,1
H,1,HDO,protons,,,,,ppm,4.75,internal,indirect,1,,,,,,,,,,85676,18378,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251,,,,,,,,,,85698,18379,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,85698,18379,1
N,15,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.101,,,,,,,,,,85698,18379,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85730,18380,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85730,18380,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85730,18380,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85751,18381,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85751,18381,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85751,18381,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85766,18385,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85766,18385,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85781,18386,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85781,18386,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85804,18387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85804,18387,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85804,18387,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85822,18388,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85822,18388,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85822,18388,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85845,18389,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85845,18389,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85845,18389,1
H,,H2O/HDO,,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,85862,1839,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85884,18390,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85884,18390,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85884,18390,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,85904,18391,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,85904,18391,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85923,18392,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85923,18392,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85923,18392,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.2514495,,,,,,,,,,85944,18393,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,85944,18393,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.1013291,,,,,,,,,,85944,18393,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85966,18394,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85966,18394,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85966,18394,1
C,13,DSS,alkane carbons,,,,,ppm,40.48,external,direct,1,separate solid-state NMR rotor,,,,,,,,,85983,18395,1
N,15,DSS,alkane carbons,,,,,ppm,40.48,external,indirect,0.4029799,separate solid-state NMR rotor,,,,,,,,,85983,18395,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,85998,18396,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,85998,18396,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,85998,18396,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86013,18397,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86013,18397,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86013,18397,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,86013,18397,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86030,18398,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86030,18398,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86030,18398,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86044,18399,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86044,18399,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86044,18399,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,86063,18400,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,other,parallel,,,,,,,86063,18400,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,86063,18400,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,86080,18403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,86080,18403,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,86080,18403,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86108,18404,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86108,18404,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86108,18404,1
C,13,methanol,methyl carbon,,,,,ppm,49,internal,direct,1.0,,,,,,,,,,86122,18405,1
H,1,methanol,methyl protons,,,,,ppm,3.313,internal,direct,1.0,,,,,,,,,,86122,18405,1
C,13,water,protons,,,,,ppm,4.97,internal,indirect,0.25144953,,,,,,,,,,86139,18406,1
N,15,water,protons,,,,,ppm,4.97,internal,indirect,0.10132912,,,,,,,,,,86139,18406,1
C,13,water,protons,,,,,ppm,4.97,internal,indirect,0.25144953,,,,,,,,,,86156,18407,1
N,15,water,protons,,,,,ppm,4.97,internal,indirect,0.10132912,,,,,,,,,,86156,18407,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,86170,18408,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,86184,18409,1
H,,H2O/HDO,,,,,,ppm,4.63,,,,,,,,,,,,,86197,1841,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,86211,18410,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86235,18411,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86235,18411,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86235,18411,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86249,18412,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86249,18412,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86249,18412,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86265,18413,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86265,18413,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86265,18413,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86283,18414,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86283,18414,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86283,18414,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86306,18415,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86306,18415,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86306,18415,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86321,18416,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86321,18416,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86321,18416,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86336,18417,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86336,18417,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86336,18417,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,86354,18418,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,86377,18419,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86377,18419,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86377,18419,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,86395,18420,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86411,18421,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86411,18421,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86411,18421,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86435,18422,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,86435,18422,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86435,18422,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,86463,18423,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86463,18423,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,86487,18424,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86487,18424,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86508,18425,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86508,18425,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86508,18425,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86527,18426,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86527,18426,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86527,18426,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,86549,18427,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86565,18428,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86565,18428,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86565,18428,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,86592,18429,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,86592,18429,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,86592,18429,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,86605,1843,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,86631,18430,1
P,31,TMP,Phosphade phasphorus,,,,,ppm,0,external,direct,1.0,,,,,,,,,,86631,18430,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86651,18431,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86651,18431,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86651,18431,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86666,18432,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86666,18432,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86666,18432,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,86666,18432,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86686,18433,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86686,18433,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86686,18433,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86706,18434,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86706,18434,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86706,18434,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86726,18435,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86726,18435,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86726,18435,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86744,18437,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86744,18437,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86744,18437,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86772,18438,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86772,18438,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86772,18438,1
C,13,water,methyl carbon,,,,,ppm,40,internal,indirect,0.251449530,,,,,,,,,,86799,18439,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1.000000000,,,,,,,,,,86799,18439,1
N,15,water,nitrogen,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,86799,18439,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86834,18440,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86834,18440,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86851,18441,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.000000000,,,,,,,,,,86851,18441,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86851,18441,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86870,18442,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86870,18442,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86870,18442,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86894,18443,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86894,18443,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86894,18443,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,86913,18445,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,86913,18445,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,86913,18445,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86927,18446,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86927,18446,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86927,18446,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,86948,18447,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,86948,18447,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,86948,18447,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86964,18448,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86964,18448,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86964,18448,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,86980,18449,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,86980,18449,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,86980,18449,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,87010,18452,1
H,1,TSP,methylene protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,87029,18453,1
H,1,TSP,methylene protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,87048,18454,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87068,18455,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87068,18455,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87068,18455,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87085,18458,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87085,18458,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87085,18458,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.000000000,,,,,,,,,,87107,18459,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,87144,18461,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,87144,18461,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,87144,18461,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87175,18462,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87175,18462,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87175,18462,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87193,18463,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87193,18463,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87193,18463,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87214,18464,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87214,18464,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87214,18464,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87253,18465,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87253,18465,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87253,18465,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87275,18466,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87275,18466,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87275,18466,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87296,18467,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87296,18467,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87296,18467,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,87320,18468,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,87320,18468,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,87320,18468,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87365,18469,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87365,18469,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87365,18469,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87382,18470,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87382,18470,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87382,18470,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87396,18471,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87396,18471,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87396,18471,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87410,18472,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87410,18472,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87410,18472,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87426,18473,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87426,18473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87426,18473,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87440,18474,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87440,18474,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87440,18474,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87456,18475,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87456,18475,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87456,18475,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87476,18477,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,87476,18477,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87503,18478,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87503,18478,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87503,18478,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,87517,18479,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,87517,18479,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,87517,18479,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,87536,18480,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1,,,,,,,,,,87536,18480,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,87536,18480,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.50,internal,indirect,1.000000000,,,,,,,,,,87552,18481,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87569,18484,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87569,18484,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87569,18484,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87590,18485,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87590,18485,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87590,18485,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,87609,18486,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87639,18487,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87639,18487,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87639,18487,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,87660,18488,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87690,18489,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87690,18489,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87690,18489,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,87710,18490,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,87710,18490,1
N,15,nitromethane,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,87710,18490,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,87725,18491,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87747,18492,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87747,18492,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87747,18492,1
C,13,DSS,alkane carbons,,,,,ppm,40.48,external,direct,1,separate solid-state NMR rotor,,,,,,,,,87775,18493,1
N,15,DSS,alkane carbons,,,,,ppm,40.48,external,indirect,0.4029799,separate solid-state NMR rotor,,,,,,,,,87775,18493,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,,,,,,,,,87790,18494,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,,,,,,,,,87790,18494,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,other,,,,,,,,,87790,18494,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,87807,18495,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,87832,18496,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87832,18496,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,87832,18496,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,87860,18497,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87860,18497,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,87860,18497,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87879,18498,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87898,18499,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,87911,185,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87930,18500,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87949,18501,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,87969,18502,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,87995,18503,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,87995,18503,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,87995,18503,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88010,18504,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88010,18504,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88010,18504,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88027,18505,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88027,18505,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88027,18505,1
C,13,water,protons,,,,,ppm,4.725,internal,indirect,0.251449530,,,,,,,,,,88049,18506,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.000000000,,,,,,,,,,88049,18506,1
N,15,water,protons,,,,,ppm,4.725,internal,indirect,0.101329118,,,,,,,,,,88049,18506,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,88071,18507,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88071,18507,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,88071,18507,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,88092,18508,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88092,18508,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,88092,18508,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,88109,18509,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,88109,18509,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,88109,18509,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,88122,1851,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,88136,18510,1
H,1,water,protons,,,,,ppm,4.9745,internal,direct,1,,,,,,,,,,88136,18510,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88161,18511,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88161,18511,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88161,18511,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88175,18513,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88197,18514,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88197,18514,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88197,18514,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,88219,18515,1
C,13,water,methyl carbon,,,,,ppm,4.77,na,direct,1,,,,,,,,,,88233,18516,1
H,1,water,protons,,,,,ppm,4.77,na,direct,1,,,,,,,,,,88233,18516,1
N,15,water,nitrogen,,,,,ppm,4.77,na,direct,1,,,,,,,,,,88233,18516,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88252,18517,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88252,18517,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88252,18517,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88276,18518,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88276,18518,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88276,18518,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,88294,18519,1
H,1,water,protons,,,,,ppm,5.039,internal,direct,1,,,,,,,,,,88294,18519,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,88313,18520,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,88313,18520,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,88313,18520,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88337,18521,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88337,18521,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88337,18521,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88359,18522,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88359,18522,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88359,18522,1
H,1,HDO,H,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,88380,18523,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88401,18524,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88401,18524,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88432,18526,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88432,18526,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88432,18526,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,88449,18527,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,88463,18528,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88482,18529,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88482,18529,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88482,18529,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88499,18530,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1,,,,,,,,,,88499,18530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88499,18530,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88514,18531,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88514,18531,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88514,18531,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88533,18532,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88533,18532,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88533,18532,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,88533,18532,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88556,18533,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88556,18533,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88556,18533,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88578,18534,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88578,18534,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88578,18534,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88599,18535,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88599,18535,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88599,18535,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,88615,18536,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88630,18537,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88630,18537,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88645,18538,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88645,18538,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,indirect,0.25,,,,,,,,,,88664,18539,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,88664,18539,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,0.1,,,,,,,,,,88664,18539,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,88677,1854,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,88694,18540,1
H,1,water,protons,,,,,ppm,4.71,external,indirect,1.000000000,,,,,,,,,,88694,18540,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,88694,18540,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,88714,18541,1
H,1,water,protons,,,,,ppm,4.71,external,indirect,1.0,,,,,,,,,,88714,18541,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,88714,18541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88731,18542,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88731,18542,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,other,,,,,,,,88748,18543,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,other,other,,,,,,,,88748,18543,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,other,,,,,,,,88766,18544,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,other,other,,,,,,,,88766,18544,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,88790,18545,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,88790,18545,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,88790,18545,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,88821,18546,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,88821,18546,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,88821,18546,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88851,18547,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88851,18547,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88851,18547,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,88867,18548,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,88867,18548,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,88867,18548,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88888,18549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88888,18549,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88888,18549,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,88888,18549,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,88901,1855,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,spherical,parallel,,,,,,,88916,18550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,spherical,parallel,,,,,,,88916,18550,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,spherical,parallel,,,,,,,88916,18550,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,88946,18551,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,88946,18551,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,88946,18551,1
C,13,water,protons,,,,,ppm,,,direct,0.251449530,,,,,,,,,,88968,18552,1
H,1,water,protons,,,,,ppm,,,direct,1.0,,,,,,,,,,88968,18552,1
N,15,water,protons,,,,,ppm,,,direct,0.101329118,,,,,,,,,,88968,18552,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,88988,18553,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,88988,18553,1
N,15,liquid anhydrous ammonia,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,88988,18553,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89008,18555,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89008,18555,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89008,18555,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1.0,,,,,,,,,,89031,18556,1
N,15,protein backbone amides,nitrogen,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,89031,18556,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,89053,18557,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,89053,18557,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,89053,18557,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89108,18559,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89108,18559,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89108,18559,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,89121,1856,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89142,18560,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89142,18560,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89142,18560,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89171,18561,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89171,18561,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89171,18561,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89188,18562,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89188,18562,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89188,18562,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0000000,,,,,,,,,,89218,18563,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89218,18563,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89218,18563,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89233,18565,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89233,18565,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89233,18565,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89253,18566,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89253,18566,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89253,18566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,cylindrical,,,,,,,,89267,18567,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,cylindrical,,,,,,,,89267,18567,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,cylindrical,,,,,,,,89267,18567,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,89284,18568,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,89284,18568,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,89308,18569,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,89308,18569,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,89308,18569,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,89322,1857,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89347,18570,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89347,18570,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89347,18570,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89365,18571,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89365,18571,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89365,18571,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89385,18572,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89385,18572,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89385,18572,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89405,18573,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89405,18573,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89405,18573,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89422,18574,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89422,18574,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89422,18574,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89438,18575,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89438,18575,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89438,18575,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,89452,18576,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,89452,18576,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10,,,,,,,,,,89452,18576,1
C,13,water,protons,,,,,ppm,46.00,internal,direct,0.251449530,,,,,,,,,,89467,18577,1
H,1,water,protons,,,,,ppm,4.778,internal,direct,1.000000000,,,,,,,,,,89467,18577,1
N,15,water,protons,,,,,ppm,120.00,internal,direct,0.101329118,,,,,,,,,,89467,18577,1
C,13,water,protons,,,,,ppm,46.00,internal,direct,0.251449530,,,,,,,,,,89482,18578,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1.000000000,,,,,,,,,,89482,18578,1
N,15,water,protons,,,,,ppm,117.751,internal,direct,0.101329118,,,,,,,,,,89482,18578,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,89509,18579,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,89509,18579,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,89509,18579,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,89522,1858,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89536,18580,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89536,18580,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89536,18580,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89555,18581,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89555,18581,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89555,18581,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,89555,18581,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89575,18582,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89575,18582,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89575,18582,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,89575,18582,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89595,18583,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89595,18583,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89595,18583,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,89595,18583,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89615,18584,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89615,18584,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89615,18584,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,89615,18584,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,89630,18585,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,89630,18585,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10,,,,,,,,,,89630,18585,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89651,18586,1
H,1,water,protons,,,,,ppm,4.66,internal,indirect,1.000000000,,,,,,,,,,89651,18586,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89651,18586,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,89671,18587,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89671,18587,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,89671,18587,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89685,18588,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89685,18588,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89685,18588,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89705,18589,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89705,18589,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89705,18589,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,89718,1859,1
H,1,HDO,protons,,,,,ppm,4.91,internal,indirect,1,,,,,,,,,,89736,18590,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89761,18591,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89761,18591,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89761,18591,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89780,18592,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89780,18592,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89780,18592,1
H,1,water,protons,,,,,ppm,4.70,na,direct,1,,,,,,,,,,89800,18593,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89818,18595,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89818,18595,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,89839,18596,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,89839,18596,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,89839,18596,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89856,18598,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89856,18598,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89856,18598,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89883,18599,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89883,18599,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89883,18599,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,89896,186,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,89935,18600,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,89935,18600,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89935,18600,1
H,1,water,protons,,,,,ppm,4.706,internal,direct,1.0,,,,,,,,,,89986,18601,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,89986,18601,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90009,18602,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90009,18602,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90009,18602,1
H,1,water,protons,,,,,ppm,4.706,internal,direct,1.0,,,,,,,,,,90030,18603,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90030,18603,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,90055,18604,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.000000000,,,,,,,,,,90055,18604,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,90055,18604,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90079,18605,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90079,18605,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90079,18605,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90099,18606,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90099,18606,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90099,18606,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90116,18607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90116,18607,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90116,18607,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90135,18608,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90135,18608,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90135,18608,1
C,13,TMS,methyl carbons,,,,,ppm,-2.57,internal,direct,1.0,,,,,,,,,,90154,18609,1
H,1,water,protons,,,,,ppm,4.706,internal,direct,1.0,,,,,,,,,,90154,18609,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90154,18609,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,90171,18610,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90171,18610,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,90171,18610,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,90187,18611,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90187,18611,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,90187,18611,1
C,13,water,protons,,,,,ppm,4.72,internal,indirect,0.10,,,,,,,,,,90201,18612,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1,,,,,,,,,,90201,18612,1
N,15,water,protons,,,,,ppm,4.72,internal,indirect,0.25,,,,,,,,,,90201,18612,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90216,18613,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90216,18613,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90216,18613,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,90216,18613,1
C,13,water,protons,,,,,ppm,4.72,internal,indirect,0.25,,,,,,,,,,90234,18614,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1,,,,,,,,,,90234,18614,1
N,15,water,protons,,,,,ppm,4.72,internal,indirect,0.10,,,,,,,,,,90234,18614,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90252,18615,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90252,18615,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90252,18615,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90303,18617,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90303,18617,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90303,18617,1
C,13,water,protons,,,,,ppm,4.76,internal,indirect,0.251449530,,,,,,,,,,90325,18618,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,90325,18618,1
N,15,water,protons,,,,,ppm,4.76,internal,indirect,0.101329118,,,,,,,,,,90325,18618,1
H,1,water,protons,,,,,ppm,4.701,internal,direct,1,,,,,,,,,,90338,18619,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,90354,18620,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,90354,18620,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,90354,18620,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,90370,18621,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,90370,18621,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,90370,18621,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90391,18622,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90391,18622,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90391,18622,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90411,18623,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90411,18623,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90411,18623,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90428,18624,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90428,18624,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90428,18624,1
H,1,water,protons,,,,,ppm,5,internal,direct,1.0,,,,,,,,,,90446,18625,1
H,1,water,protons,,,,,ppm,5,internal,direct,1.0,,,,,,,,,,90465,18626,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,90484,18627,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,90484,18627,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,90484,18627,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.101329242,,,,,,,,,,90501,18628,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,90501,18628,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.251435,,,,,,,,,,90501,18628,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,90542,18629,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,90542,18629,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,90542,18629,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90558,18630,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90558,18630,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90558,18630,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90574,18631,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90574,18631,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90574,18631,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90598,18632,1
H,1,HDO,protons,,,,,ppm,4.7652,internal,indirect,1.000000000,,,,,,,,,,90598,18632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90598,18632,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1.0,,,,,,,,,,90629,18633,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90644,18634,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90644,18634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90644,18634,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90658,18635,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90658,18635,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90658,18635,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90681,18636,1
H,1,HDO,protons,,,,,ppm,4.7,internal,indirect,1.0,,,,,,,,,,90681,18636,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90681,18636,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90699,18637,1
H,1,HDO,H,,,,,ppm,4.611,internal,indirect,1.000000000,,,,,,,,,,90699,18637,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90699,18637,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,90734,18638,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,90755,18639,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,90776,18640,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,90794,18641,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90794,18641,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90819,18642,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90819,18642,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90819,18642,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,90837,18643,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90837,18643,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,90855,18644,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90855,18644,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,90873,18645,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90873,18645,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,90892,18647,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,90892,18647,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,90892,18647,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90906,18648,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90906,18648,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90906,18648,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90920,18649,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90920,18649,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90920,18649,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,90931,1865,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,90957,18650,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,90957,18650,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,90957,18650,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,90971,18651,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,90971,18651,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,90986,18652,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,90986,18652,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,90986,18652,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,indirect,0.2514,,,,,,,,,,91006,18653,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,91006,18653,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,117.8,na,direct,1,,,,,,,,,,91006,18653,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91027,18654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91027,18654,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91027,18654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91047,18655,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91047,18655,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91064,18656,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91064,18656,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91064,18656,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,91064,18656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91079,18657,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91079,18657,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91079,18657,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91097,18658,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91114,18659,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,91128,1866,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,methanol,,,,,,,,,91142,18661,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,urea,,,,,,,,,91142,18661,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91171,18662,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91171,18662,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91171,18662,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,91171,18662,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449519,,,,,,,,,,91189,18663,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,91189,18663,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,91209,18664,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,91209,18664,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,91209,18664,1
C,13,water,protons,,,,,ppm,4.79,internal,indirect,0.25149145,,,,,,,,,,91227,18665,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1,,,,,,,,,,91227,18665,1
N,15,water,protons,,,,,ppm,4.79,internal,indirect,0.10134040,,,,,,,,,,91227,18665,1
C,13,water,protons,,,,,ppm,4.79,internal,indirect,0.25149145,,,,,,,,,,91247,18666,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1,,,,,,,,,,91247,18666,1
N,15,water,protons,,,,,ppm,4.79,internal,indirect,0.10134040,,,,,,,,,,91247,18666,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,91264,18667,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91282,18668,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91282,18668,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91282,18668,1
C,13,water,protons,,,,,ppm,4.778,internal,indirect,0.251457,,,,,,,,,,91300,18669,1
H,1,water,protons,,,,,ppm,4.778,internal,direct,1.0,,,,,,,,,,91300,18669,1
N,15,water,protons,,,,,ppm,4.778,internal,indirect,0.1013401,,,,,,,,,,91300,18669,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,91313,1867,1
C,13,water,protons,,,,,ppm,4.778,internal,indirect,0.251457,,,,,,,,,,91336,18670,1
H,1,water,protons,,,,,ppm,4.778,internal,direct,1.0,,,,,,,,,,91336,18670,1
N,15,water,protons,,,,,ppm,4.778,internal,indirect,0.1013401,,,,,,,,,,91336,18670,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251457,,,,,,,,,,91362,18671,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1.0,,,,,,,,,,91362,18671,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.1013401,,,,,,,,,,91362,18671,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,91387,18672,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,91387,18672,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,91387,18672,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91408,18673,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91408,18673,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91408,18673,1
C,13,dioxane,methylene protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,91433,18676,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.000000000,,,,,,,,,,91433,18676,1
N,15,dioxane,methylene protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,91433,18676,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91452,18677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91452,18677,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91452,18677,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91467,18678,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91467,18678,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91467,18678,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91482,18679,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91482,18679,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91482,18679,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91497,18680,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91497,18680,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91497,18680,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91512,18681,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91512,18681,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91512,18681,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91528,18682,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91528,18682,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91528,18682,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,91545,18683,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,91545,18683,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,91561,18684,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,91594,18686,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,91594,18686,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,91611,18687,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,91611,18687,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91633,18688,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91633,18688,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91633,18688,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91647,18689,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91647,18689,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91647,18689,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,91660,1869,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,91677,18690,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91693,18691,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91693,18691,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91693,18691,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91708,18692,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91708,18692,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91708,18692,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91726,18693,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91726,18693,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91726,18693,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91743,18694,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91743,18694,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91743,18694,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91762,18695,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91762,18695,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91762,18695,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91777,18696,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91777,18696,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91777,18696,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91794,18697,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91794,18697,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91794,18697,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91823,18698,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91823,18698,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91823,18698,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,91842,18699,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,91855,187,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,91868,1870,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.2514,,,,,,,,,,91884,18700,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,91884,18700,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.1013,,,,,,,,,,91884,18700,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91905,18701,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91905,18701,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91905,18701,1
H,1,HDO,proton,,,,,ppm,4.754,internal,indirect,1,,,,,,,,,,91929,18702,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91957,18703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91957,18703,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91957,18703,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,91975,18704,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,91975,18704,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,91975,18704,1
C,13,DSS,protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,91989,18705,1
H,1,DSS,protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,91989,18705,1
N,15,DSS,protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,91989,18705,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.251449530,,,,,,,,,,92013,18706,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,92013,18706,1
N,15,water,protons,,,,,ppm,3.63,internal,indirect,0.101329119,,,,,,,,,,92013,18706,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92031,18707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92031,18707,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92031,18707,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449519,separate MAS rotor,cylindrical,Parallel,,,,,,,92051,18708,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,separate MAS rotor,cylindrical,Parallel,,,,,,,92051,18708,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.1014,separate MAS rotor,cylindrical,Parallel,,,,,,,92051,18708,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92070,18709,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92070,18709,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92070,18709,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,92083,1871,1
C,13,water,protons,,,,,ppm,126.692,internal,indirect,0.25,,,,,,,,,,92101,18710,1
H,1,water,protons,,,,,ppm,4.993,internal,direct,1.0000,,,,,,,,,,92101,18710,1
N,15,water,protons,,,,,ppm,119.434,internal,indirect,0.10,,,,,,,,,,92101,18710,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92122,18711,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92122,18711,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92122,18711,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,92139,18712,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,92139,18712,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,92139,18712,1
C,13,sC4,Carbon,,,,,ppm,0.0,external,indirect,1.0,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,92162,18713,1
H,1,sC4,protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,92162,18713,1
N,15,sC4,nitrogen,,,,,ppm,0.0,external,indirect,1.0,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,92162,18713,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92185,18714,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,,,,,,,,,92185,18714,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92185,18714,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92208,18715,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92208,18715,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92208,18715,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92228,18716,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92228,18716,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92228,18716,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92250,18717,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92250,18717,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92250,18717,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0000000,,,,,,,,,,92265,18718,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92265,18718,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92280,18719,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92280,18719,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,92293,1872,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92309,18720,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92309,18720,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92309,18720,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92328,18721,1
H,1,Water,protons,,,,,ppm,4.66,internal,indirect,1.000000000,,,,,,,,,,92328,18721,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92328,18721,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,92353,18722,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92353,18722,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,-0.101363,,,,,,,,,,92353,18722,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,92373,18723,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92373,18723,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,-0.101363,,,,,,,,,,92373,18723,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,92392,18724,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92413,18725,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92413,18725,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92413,18725,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.25,,,,,,,,,,92430,18726,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,92430,18726,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1,,,,,,,,,,92430,18726,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92457,18728,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92457,18728,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92457,18728,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92486,18729,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92486,18729,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92486,18729,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,92519,18730,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92519,18730,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,92519,18730,1
C,13,MPD,protons,,,,,ppm,4.1,internal,indirect,0.251449530,,,,,,,,,,92534,18731,1
H,1,MPD,protons,,,,,ppm,4.1,internal,direct,1,,,,,,,,,,92534,18731,1
N,15,MPD,protons,,,,,ppm,4.1,internal,indirect,0.101329118,,,,,,,,,,92534,18731,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92553,18732,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92553,18732,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92553,18732,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92568,18733,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92568,18733,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92568,18733,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92588,18734,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92588,18734,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92588,18734,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92611,18735,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92611,18735,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92611,18735,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,92631,18736,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,92654,18737,1
N,15,water,protons,,,,,ppm,117.460,internal,indirect,0.101329118,,,,,,,,,,92654,18737,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92673,18738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92673,18738,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92673,18738,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,92686,1874,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92702,18740,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92702,18740,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92702,18740,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,92729,18741,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,92729,18741,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,92729,18741,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,92747,18748,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.00000000,,,,,,,,,,92747,18748,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,92747,18748,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92766,18749,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92766,18749,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92766,18749,1
C,,TMS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,92779,1875,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,92779,1875,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,92779,1875,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132918,,,,,,,,,,92797,18750,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,92797,18750,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,92797,18750,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92817,18753,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92817,18753,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92817,18753,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132918,,,,,,,,,,92833,18754,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,92833,18754,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,92833,18754,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,92852,18755,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,92852,18755,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,92852,18755,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92873,18756,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92873,18756,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92873,18756,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,92893,18757,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92893,18757,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,-0.101363,,,,,,,,,,92893,18757,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92914,18758,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92914,18758,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92914,18758,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92934,18759,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92934,18759,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92934,18759,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,92947,1876,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,92963,18760,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,92963,18760,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,92963,18760,1
C,13,water,protons,,,,,ppm,4.734,internal,indirect,0.251449530,,,,,,,,,,92982,18761,1
H,1,water,protons,,,,,ppm,4.734,internal,direct,1.0,,,,,,,,,,92982,18761,1
N,15,water,protons,,,,,ppm,4.734,internal,indirect,0.101329118,,,,,,,,,,92982,18761,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93001,18762,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93018,18763,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93018,18763,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93018,18763,1
C,13,HDO,HDO,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,93038,18764,1
H,1,HDO,HDO,,,,,ppm,4.773,internal,indirect,1,,,,,,,,,,93038,18764,1
N,15,HDO,HDO,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,93038,18764,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93055,18765,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93055,18765,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93055,18765,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93071,18766,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93071,18766,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93086,18767,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93086,18767,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93086,18767,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93103,18768,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93103,18768,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93120,18769,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93120,18769,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,93133,1877,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,93153,18770,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,93153,18770,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,93153,18770,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,93177,18771,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93191,18772,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,93191,18772,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93191,18772,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93208,18773,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,93208,18773,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93208,18773,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93232,18774,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93232,18774,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93232,18774,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93253,18775,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93253,18775,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93253,18775,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,93270,18776,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,93270,18776,1
N,15,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,93270,18776,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,93288,18777,1
H,1,water,protons,,,,,ppm,4.66,internal,direct,1.0,,,,,,,,,,93288,18777,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,93288,18777,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,93317,18778,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,93317,18778,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,93317,18778,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93333,18779,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93333,18779,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93333,18779,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,93346,1878,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93369,18780,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93392,18781,1
C,13,TSP,methyl carbon,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,93409,18782,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,93409,18782,1
N,15,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,0.1013291444,,,,,,,,,,93409,18782,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93425,18783,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93425,18783,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93441,18784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93441,18784,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,93456,18785,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,93456,18785,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,93456,18785,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,93472,18786,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,93472,18786,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,93472,18786,1
H,1,water,protons,,,,,ppm,4.81,internal,direct,1,,,,,,,,,,93495,18787,1
N,15,water,protons,,,,,ppm,4.81,internal,indirect,0.101329118,,,,,,,,,,93495,18787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93511,18788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93511,18788,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93511,18788,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,93534,18789,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,93534,18789,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,93534,18789,1
C,13,water,protons,,,,,ppm,4.75,na,indirect,0.25144954,,,,,,,,,,93551,18791,1
H,1,water,protons,,,,,ppm,4.75,na,direct,1,,,,,,,,,,93551,18791,1
N,15,water,protons,,,,,ppm,4.75,na,indirect,0.10132900,,,,,,,,,,93551,18791,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93569,18792,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93569,18792,1
N,15,[15N] nitromethane,nitrogen,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,93569,18792,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93589,18793,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93589,18793,1
N,15,[15N] nitromethane,nitrogen,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,93589,18793,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,93607,18794,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,93607,18794,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,93607,18794,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93622,18795,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93622,18795,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93640,18796,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93640,18796,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93640,18796,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93657,18797,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93657,18797,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93657,18797,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93675,18798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93675,18798,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93675,18798,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93692,18799,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93692,18799,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93692,18799,1
H,,H2O/HDO,,,,,,ppm,4.67,,,,,,,1,entry_citation,,,1,entry_citation,93705,188,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93725,18800,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93725,18800,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,93725,18800,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93743,18801,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93743,18801,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93743,18801,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93764,18802,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93764,18802,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93764,18802,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,93780,18803,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,93780,18803,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,93780,18803,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93798,18804,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93798,18804,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93798,18804,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93823,18805,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,1,,,,,,,,,,96148,18912,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93823,18805,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93823,18805,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93843,18806,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93843,18806,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93843,18806,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93863,18807,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93863,18807,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93863,18807,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93885,18808,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93885,18808,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93885,18808,1
H,1,methanol,methyl protons,,,,,ppm,3.31,internal,direct,1.000000000,,,,,,,,,,93899,18809,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,93912,1881,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,0.04,,,,,,,,,,93932,18811,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,93932,18811,1
N,15,DSS,methyl carbon,,,,,ppm,0,external,indirect,0.1,,,,,,,,,,93932,18811,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93954,18812,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93954,18812,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93954,18812,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93973,18813,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,93973,18813,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93973,18813,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,93990,18814,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,93990,18814,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94006,18815,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94006,18815,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94006,18815,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,94027,18816,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,94027,18816,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,94027,18816,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94046,18817,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94046,18817,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94046,18817,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94066,18818,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94066,18818,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94066,18818,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94083,18819,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94083,18819,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94083,18819,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,94096,1882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94113,18820,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94113,18820,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94113,18820,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94130,18821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94130,18821,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94130,18821,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251,,,,,,,,,,94147,18822,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,94147,18822,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101,,,,,,,,,,94147,18822,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,94162,18823,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,94162,18823,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,94162,18823,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94184,18824,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94184,18824,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94184,18824,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94206,18825,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94206,18825,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94206,18825,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94230,18826,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94230,18826,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94230,18826,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94252,18827,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94252,18827,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94252,18827,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.0,,,,,,,,,,94270,18828,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,94270,18828,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,94284,18829,1
H,1,DSS,methyl protons,,,,,ppm,0,,indirect,1.0,,,,,,,,,,94284,18829,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,94284,18829,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,94297,1883,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94311,18830,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,94326,18831,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94326,18831,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,94326,18831,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94347,18832,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94347,18832,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94347,18832,1
C,13,water,protons,,,,,ppm,4.71,internal,indirect,0.25144953,,,,,,,,,,94374,18833,1
H,1,water,protons,,,,,ppm,4.71,internal,direct,1,,,,,,,,,,94374,18833,1
N,15,water,protons,,,,,ppm,4.71,internal,indirect,0.101329118,,,,,,,,,,94374,18833,1
C,13,water,protons,,,,,ppm,4.71,internal,indirect,0.25144953,,,,,,,,,,94401,18834,1
H,1,water,protons,,,,,ppm,4.71,internal,direct,1,,,,,,,,,,94401,18834,1
N,15,water,protons,,,,,ppm,4.71,internal,indirect,0.101329118,,,,,,,,,,94401,18834,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,94424,18835,1
C,13,water,protons,,,,,ppm,175.4,internal,indirect,0.251449530,,,,,,,,,,94442,18836,1
H,1,water,protons,,,,,ppm,4.964,internal,direct,1.000000000,,,,,,,,,,94442,18836,1
N,15,water,protons,,,,,ppm,118.773,internal,indirect,0.101329118,,,,,,,,,,94442,18836,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94465,18837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00,,,,,,,,,,94465,18837,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94465,18837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94487,18838,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94506,18839,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94506,18839,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94506,18839,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,94519,1884,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,94543,18840,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,94543,18840,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,94543,18840,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94575,18841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94575,18841,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94575,18841,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94607,18842,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94607,18842,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94607,18842,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,94627,18843,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,94627,18843,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,94627,18843,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94650,18844,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94650,18844,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94650,18844,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,94671,18845,1
H,1,water,protons,,,,,ppm,4.802,internal,direct,1,,,,,,,,,,94671,18845,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,94671,18845,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,94691,18846,1
H,1,water,protons,,,,,ppm,4.802,internal,direct,1,,,,,,,,,,94691,18846,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,94691,18846,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,94707,18847,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,94725,18848,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,94725,18848,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,94725,18848,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94742,18849,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94742,18849,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94742,18849,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,94742,18849,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,94756,1885,1
C,13,water,protons,,,,,ppm,4.772,na,indirect,0.251449530,,,,,,,,,,94777,18850,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1.0,,,,,,,,,,94777,18850,1
N,15,water,protons,,,,,ppm,4.772,na,indirect,0.101329118,,,,,,,,,,94777,18850,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,94796,18851,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94796,18851,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,94796,18851,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94814,18852,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,94814,18852,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94814,18852,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94832,18853,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,94832,18853,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94832,18853,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,94847,18854,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.00,,,,,,,,,,94847,18854,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,94847,18854,1
C,13,water,protons,,,,,ppm,175.4,internal,indirect,0.251449530,,,,,,,,,,94864,18855,1
H,1,water,protons,,,,,ppm,4.964,internal,direct,1,,,,,,,,,,94864,18855,1
N,15,water,protons,,,,,ppm,118.773,internal,indirect,0.101329118,,,,,,,,,,94864,18855,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,94879,18856,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,94879,18856,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,96751,18945,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,94879,18856,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,94925,18857,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94925,18857,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,94925,18857,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94977,18858,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,94997,18859,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,95011,1886,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95027,18860,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95027,18860,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95051,18861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95051,18861,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95051,18861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,95072,18862,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95109,18863,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95109,18863,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95109,18863,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95139,18864,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95139,18864,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95139,18864,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95170,18865,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,95190,18867,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,95190,18867,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,95190,18867,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.00,,,,,,,,,,95208,18868,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95208,18868,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.10132911,,,,,,,,,,95208,18868,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.2514,,,,,,,,,,95239,18869,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,95239,18869,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013,,,,,,,,,,95239,18869,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,95258,1887,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95275,18870,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,95275,18870,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95275,18870,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95290,18871,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95290,18871,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95290,18871,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95309,18872,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95309,18872,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95331,18873,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95331,18873,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95353,18874,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95353,18874,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,95373,18875,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95373,18875,1
C,13,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,95389,18876,1
H,1,water,protons,,,,,ppm,0,na,direct,1,,,,,,,,,,95389,18876,1
N,15,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,95389,18876,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95412,18877,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95412,18877,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95412,18877,1
C,13,HDO,water protons,,,,,ppm,4.7,internal,indirect,0.25144953,,,,,,,,,,95431,18878,1
H,1,HDO,water protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,95431,18878,1
N,15,HDO,water protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,95431,18878,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,95450,18879,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,95450,18879,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,95472,18880,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,95472,18880,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,95472,18880,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95503,18881,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95503,18881,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95503,18881,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95522,18882,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,95522,18882,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95522,18882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95541,18883,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,95541,18883,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95541,18883,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,95562,18884,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,95562,18884,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,95562,18884,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95576,18885,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95576,18885,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95576,18885,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95594,18887,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95594,18887,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95594,18887,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95621,18888,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95621,18888,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95621,18888,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,95644,18889,1
H,1,water,protons,,,,,ppm,4.755,internal,indirect,1,,,,,,,,,,95644,18889,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,95644,18889,1
H,,HOD,,,,,,ppm,4.73,,,,,,,,,,,,,95658,1889,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,95679,18890,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,95679,18890,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,95679,18890,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95699,18891,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95699,18891,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95699,18891,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95719,18892,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95719,18892,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95719,18892,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95748,18893,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95748,18893,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95748,18893,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95778,18894,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95778,18894,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,95778,18894,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95795,18895,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95795,18895,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95795,18895,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95817,18896,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95817,18896,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95817,18896,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,95841,18897,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95860,18898,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95860,18898,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95860,18898,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,95860,18898,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95876,18899,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95876,18899,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95876,18899,1
H,,H2O/HDO,,,,,,ppm,4.67,,,,,,,1,entry_citation,,,1,entry_citation,95889,189,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,95889,189,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449519,,,,,,,,,,95911,18900,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,95911,18900,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,95911,18900,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95927,18901,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95927,18901,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95927,18901,1
H,1,DSS,methyl protons,,,,,ppm,0.2,external,direct,1.0,,,,,,,,,,95941,18902,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95982,18904,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,95982,18904,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95982,18904,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,95997,18905,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,95997,18905,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,95997,18905,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96013,18906,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96013,18906,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96013,18906,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,96030,18907,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96050,18908,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96050,18908,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96050,18908,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96071,18909,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96071,18909,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96071,18909,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,96087,1891,1
H,1,HDO,protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,96109,18910,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449519,,,,,,,,,,96133,18911,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,96133,18911,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,96133,18911,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,1,,,,,,,,,,96148,18912,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,96148,18912,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,96168,18913,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96168,18913,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,96188,18914,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96188,18914,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,96203,18915,1
C,13,water,protons,,,,,ppm,4.823,na,indirect,0.251449530,,,,,,,,,,96225,18916,1
H,1,water,protons,,,,,ppm,4.823,internal,direct,1.0,,,,,,,,,,96225,18916,1
N,15,water,protons,,,,,ppm,4.823,na,indirect,0.101329118,,,,,,,,,,96225,18916,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96246,18917,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96246,18917,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96246,18917,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449519,,,,,,,,,,96265,18918,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,96265,18918,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,96265,18918,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,96283,18919,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,96283,18919,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,96283,18919,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,96296,1892,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144952,,,,,,,,,,96317,18920,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,96317,18920,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.10132905,,,,,,,,,,96317,18920,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96335,18921,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,96351,18922,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,96351,18922,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,96351,18922,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96369,18923,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96387,18924,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96405,18925,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,96419,18926,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96434,18927,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96434,18927,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96434,18927,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96449,18928,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96449,18928,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96449,18928,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96466,18929,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96466,18929,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96466,18929,1
H,1,,,,,,,ppm,,,,1.0,,,,,,,,,,96480,1893,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96497,18930,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96497,18930,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96497,18930,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,96517,18931,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96517,18931,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96534,18933,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96534,18933,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96534,18933,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96556,18934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96556,18934,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96556,18934,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96578,18935,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96578,18935,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96578,18935,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,96599,18937,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96599,18937,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,96618,18938,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96618,18938,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96638,18939,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96638,18939,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96638,18939,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,96653,18940,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,96670,18941,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,96670,18941,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,96670,18941,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96691,18942,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96691,18942,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96691,18942,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449519,,,,,,,,,,96714,18943,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1,,,,,,,,,,96714,18943,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132912,,,,,,,,,,96714,18943,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96733,18944,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96733,18944,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96733,18944,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,96751,18945,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,96751,18945,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,96772,18946,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,96772,18946,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,96772,18946,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,96786,18947,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,96786,18947,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,96786,18947,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96800,18948,1
H,1,DMSO-d6,Tetramethylsilane,,,,,ppm,0.0440,internal,direct,1.00000,,,,,,,,,,96814,18949,1
N,15,DMSO-d6,Tetramethylsilane,,,,,ppm,4.6322,internal,indirect,0.101329118,,,,,,,,,,96814,18949,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,96827,1895,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,96849,18950,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96867,18951,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96867,18951,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96867,18951,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,96895,18952,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96895,18952,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96916,18953,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96916,18953,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96916,18953,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,96935,18954,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,96935,18954,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,96935,18954,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,96935,18954,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,96959,18955,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,96983,18956,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,97006,18958,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97006,18958,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,97006,18958,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,,,,,,,,97025,18959,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) not similar to the experimental sample tube,cylindrical,,,,,,,,97025,18959,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,,,,,,,,97025,18959,1
C,13,water,protons,,,,,ppm,175.4,internal,indirect,0.251449530,,,,,,,,,,97043,18961,1
H,1,water,protons,,,,,ppm,4.964,internal,direct,1.000000000,,,,,,,,,,97043,18961,1
N,15,water,protons,,,,,ppm,118.773,internal,indirect,0.101329118,,,,,,,,,,97043,18961,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97064,18963,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97064,18963,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97064,18963,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000,,,,,,,,,,97083,18964,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97100,18965,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97100,18965,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97115,18966,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97115,18966,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97115,18966,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97136,18967,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97136,18967,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97136,18967,1
C,13,water,protons,,,,,ppm,4.70,external,indirect,0.251449530,,,,,,,,,,97152,18968,1
H,1,water,protons,,,,,ppm,4.70,external,indirect,1,,,,,,,,,,97152,18968,1
N,15,water,protons,,,,,ppm,4.70,external,indirect,0.101329118,,,,,,,,,,97152,18968,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,97167,18969,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,97167,18969,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,97167,18969,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,97187,18970,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,97187,18970,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,97212,18971,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,97212,18971,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,97212,18971,1
H,1,water,proton,,,,,ppm,4.811,internal,indirect,1,,,,,,,,,,97241,18972,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1,,,,,,,,,,97259,18973,1
P,31,TMP,protons,,,,,ppm,0,external,direct,,,,,,,,,,,97259,18973,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,97279,18974,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,97298,18975,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,internal,direct,0.251449530,,,,,,,,,,97323,18976,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,97323,18976,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,97323,18976,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97344,18977,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97344,18977,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97344,18977,1
C,13,DSS,methyl protons,,,,,ppm,2.6,internal,indirect,0.251449530,,,,,,,,,,97371,18978,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97371,18978,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,97371,18978,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0000,,,,,,,,,,97388,18979,1
P,31,TMP,protons,,,,,ppm,0.00,external,direct,1.0000,,,,,,,,,,97388,18979,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97407,18980,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97407,18980,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97407,18980,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0000,,,,,,,,,,97424,18981,1
P,31,TMP,protons,,,,,ppm,0.00,external,direct,1.0000,,,,,,,,,,97424,18981,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,97447,18982,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1,,,,,,,,,,97447,18982,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,97447,18982,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1,,,,,,,,,,97464,18984,1
P,31,TMP,protons,,,,,ppm,0,external,direct,1,,,,,,,,,,97464,18984,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1,,,,,,,,,,97481,18985,1
P,31,TMP,protons,,,,,ppm,0,external,direct,1,,,,,,,,,,97481,18985,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97499,18986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97499,18986,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97499,18986,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97525,18987,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97525,18987,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97525,18987,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97545,18988,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97545,18988,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97545,18988,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97572,18989,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97572,18989,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97572,18989,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97597,18990,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97597,18990,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97597,18990,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97616,18991,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97616,18991,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97616,18991,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97635,18992,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97635,18992,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97635,18992,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97652,18993,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97652,18993,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97652,18993,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,97670,18994,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97670,18994,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.101329118,,,,,,,,,,97670,18994,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97687,18995,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97687,18995,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97687,18995,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97701,18998,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97715,18999,1
H,,CD3OD,,,,,,ppm,3.3,,,,,,,1,entry_citation,,,1,entry_citation,97728,19,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,97743,190,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97768,19000,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97768,19000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97768,19000,1
C,13,DSS,methyl carbon,,,,,ppm,0,na,direct,1.0,,,,,,,,,,97791,19001,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,97791,19001,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,117.8,na,direct,1.0,,,,,,,,,,97791,19001,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,97812,19002,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,97812,19002,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,97812,19002,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,97836,19003,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,97836,19003,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,97836,19003,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97856,19004,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97856,19004,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97856,19004,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97876,19005,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97876,19005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97876,19005,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97894,19006,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97894,19006,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97894,19006,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97916,19007,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97916,19007,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97916,19007,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97938,19008,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97938,19008,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97938,19008,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1.0,,,,,,,,,,97954,19009,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,indirect,0.4029800,,,,,,,,,,97954,19009,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97974,19010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97974,19010,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97974,19010,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,97994,19011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,97994,19011,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,97994,19011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98013,19012,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98013,19012,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98013,19012,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,98013,19012,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98035,19013,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98035,19013,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98035,19013,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98061,19014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98061,19014,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98061,19014,1
C,13,DSS,methyl protons,,,,,ppm,-2.681,internal,indirect,0.251449530,,,,,,,,,,98082,19015,1
H,1,DSS,methyl protons,,,,,ppm,-0.01352,internal,direct,1.000000000,,,,,,,,,,98082,19015,1
N,15,DSS,methyl protons,,,,,ppm,-0.03534,internal,indirect,0.101329188,,,,,,,,,,98082,19015,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,98096,19017,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98114,19018,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98114,19018,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98114,19018,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,98114,19018,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98135,19023,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98135,19023,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98135,19023,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98152,19024,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98167,19025,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98167,19025,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,98182,19026,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98199,19027,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98199,19027,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98199,19027,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98214,19028,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98214,19028,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98214,19028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98230,19029,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98230,19029,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98230,19029,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,98244,19030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98260,19031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98260,19031,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,98274,19032,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98293,19033,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98293,19033,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98293,19033,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,98293,19033,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98312,19034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98312,19034,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98312,19034,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,98312,19034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,98335,19035,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251449530,,,,,,,,,,98359,19036,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1,,,,,,,,,,98359,19036,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.101329118,,,,,,,,,,98359,19036,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98374,19037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98374,19037,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98374,19037,1
H,1,water,protons,,,,,ppm,4.850,internal,direct,1,,,,,,,,,,98398,19038,1
N,15,ammonium chloride,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,98398,19038,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,98428,19039,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,98428,19039,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,98428,19039,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98456,19040,1
H,1,HDO,proton,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,98953,19066,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98456,19040,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98456,19040,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98473,19041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98473,19041,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98473,19041,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98495,19042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98495,19042,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98495,19042,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98516,19043,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98516,19043,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98516,19043,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,98531,19044,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,98531,19044,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,98531,19044,1
C,13,DSS,methyl protons,0.2,mM,H2O,,ppm,0.01,internal,indirect,0.2514,,,,,,,,,,98551,19045,1
H,1,DSS,methyl protons,0.2,mM,H2O,,ppm,-0.039,internal,direct,1,,,,,,,,,,98551,19045,1
N,15,DSS,methyl protons,0.2,mM,H2O,,ppm,0.004,internal,indirect,0.1013,,,,,,,,,,98551,19045,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98573,19046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98573,19046,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98573,19046,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98603,19047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98634,19048,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,98634,19048,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98634,19048,1
C,13,TSP,methy protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,98655,19049,1
H,1,TSP,methy protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,98655,19049,1
N,15,TSP,methy protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,98655,19049,1
C,13,water,protons,,,,,ppm,4.76,na,indirect,0.25144953,,,,,,,,,,98682,19050,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,98682,19050,1
N,15,water,protons,,,,,ppm,4.76,na,indirect,0.101329118,,,,,,,,,,98682,19050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98699,19051,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98699,19051,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98699,19051,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98714,19052,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98714,19052,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98714,19052,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98729,19053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98729,19053,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98729,19053,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,98729,19053,1
C,13,DSS,methyl protons,,,,,ppm,0.3,na,indirect,0.251449530,insert at center of a separate sample tube,,,,,,,,,98749,19054,1
H,1,DSS,methyl protons,,,,,ppm,0.02,internal,direct,1.000000000,insert at center of a separate sample tube,,,,,,,,,98749,19054,1
N,15,DSS,methyl protons,,,,,ppm,0.2,na,indirect,0.101329118,insert at center of a separate sample tube,,,,,,,,,98749,19054,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98763,19055,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,98763,19055,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98763,19055,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98782,19056,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98782,19056,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98782,19056,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.00000,,,,,,,,,,98797,19057,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98813,19058,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98813,19058,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,98831,19059,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98831,19059,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,98831,19059,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98847,19060,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98847,19060,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98862,19061,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98862,19061,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98862,19061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98878,19062,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98878,19062,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98894,19063,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98894,19063,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98894,19063,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,98911,19064,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98911,19064,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98911,19064,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,98927,19065,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,98927,19065,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,98976,19067,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.0,,,,,,,,,,98976,19067,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,98976,19067,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99005,19068,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99005,19068,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99005,19068,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99028,19069,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99028,19069,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99028,19069,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.0,,,,,,,,,,99049,19070,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.0,,,,,,,,,,99070,19071,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,99085,19072,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,99085,19072,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,99085,19072,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99104,19074,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99104,19074,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99104,19074,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99120,19075,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99120,19075,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99120,19075,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99136,19076,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99136,19076,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99136,19076,1
C,13,water,protons,,,,,,0.00,na,indirect,0.251,,,,,,,,,,99152,19077,1
H,1,water,protons,,,,,,4.77,internal,direct,1.000,,,,,,,,,,99152,19077,1
N,15,water,protons,,,,,,0.00,na,indirect,0.101,,,,,,,,,,99152,19077,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99168,19078,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99168,19078,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99168,19078,1
C,13,water,carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,99189,19079,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,99189,19079,1
N,15,water,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,99189,19079,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,99208,19080,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99208,19080,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,99208,19080,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,99227,19081,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99249,19082,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99249,19082,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99249,19082,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99263,19083,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99263,19083,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99263,19083,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25,,,,,,,,,,99277,19084,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.00,,,,,,,,,,99277,19084,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10,,,,,,,,,,99277,19084,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99291,19085,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99291,19085,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99291,19085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,99309,19086,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99324,19087,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99324,19087,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99324,19087,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99340,19088,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,99340,19088,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99340,19088,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99357,19089,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99357,19089,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99379,19090,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99379,19090,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99398,19091,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99398,19091,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99415,19092,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99415,19092,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99434,19093,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99434,19093,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99449,19094,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99463,19095,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99463,19095,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99463,19095,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,99481,19098,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,99481,19098,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,99481,19098,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99496,19099,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99496,19099,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99496,19099,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,99509,191,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99524,19101,1
C,13,methanol,methyl carbon,,,,,ppm,49.0,internal,direct,0.25144953,,,,,,,,,,99540,19102,1
H,1,methanol,methyl protons,,,,,ppm,3.30,internal,direct,1.00000000,,,,,,,,,,99540,19102,1
C,13,methanol,methyl carbon,,,,,ppm,49,internal,direct,0.25144953,,,,,,,,,,99556,19103,1
H,1,methanol,methyl protons,,,,,ppm,3.30,internal,direct,1,,,,,,,,,,99556,19103,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,99570,19104,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,99570,19104,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,99570,19104,1
C,13,water,protons,,,,,ppm,4.76,internal,indirect,0.251449530,,,,,,,,,,99588,19105,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,99588,19105,1
N,15,water,protons,,,,,ppm,4.76,internal,indirect,0.101329118,,,,,,,,,,99588,19105,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99608,19106,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,99608,19106,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99608,19106,1
C,13,water,protons,,,,,ppm,4.772925,internal,indirect,0.251449519,,,,,,,,,,99625,19107,1
H,1,water,protons,,,,,ppm,4.772925,internal,indirect,1.000000000,,,,,,,,,,99625,19107,1
N,15,water,protons,,,,,ppm,4.772925,internal,indirect,0.101329112,,,,,,,,,,99625,19107,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99652,19108,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99652,19108,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99652,19108,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,99669,19109,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,99669,19109,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,99669,19109,1
H,,H2O/HDO,,,,,,ppm,4.78,,,,,,,1,entry_citation,,,1,entry_citation,99682,1911,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,,,,,,,,,,,99695,19110,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,99695,19110,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,,,,,,,,,,,99695,19110,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,99712,19111,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,99712,19111,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,99712,19111,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99730,19112,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99730,19112,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99730,19112,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99748,19113,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99748,19113,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99748,19113,1
C,13,DSS,methyl carbon,,,,,Hz,-1078.011901946,internal,indirect,0.251449528,,,,,,,,,,99764,19114,1
H,1,DSS,protons,,,,,Hz,-4287.19,internal,direct,1.000000000,,,,,,,,,,99764,19114,1
N,15,urea,nitrogen,,,,,Hz,-434.417181398,internal,indirect,0.101329118,,,,,,,,,,99764,19114,1
C,13,Adamantane,methyl carbon,,,,,ppm,38.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,99778,19115,1
N,15,ammonium sulfate,nitrogen,,,,,ppm,26.8,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,99778,19115,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99796,19116,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99796,19116,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99796,19116,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99813,19117,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99813,19117,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99813,19117,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99837,19118,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99837,19118,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99837,19118,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99855,19119,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99855,19119,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99855,19119,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99873,19120,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99873,19120,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99873,19120,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99891,19121,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99891,19121,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99891,19121,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99909,19122,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99909,19122,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99909,19122,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.2514495300,,,,,,,,,,99927,19123,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000000,,,,,,,,,,99927,19123,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,0.1013291180,,,,,,,,,,99927,19123,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,99942,19124,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,99942,19124,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,99942,19124,1
C,13,water,methyl carbons,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,,,,99956,19125,1
H,1,water,protons,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,,,,99956,19125,1
N,15,water,nitrogen,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,,,,99956,19125,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,99979,19126,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,99979,19126,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,99979,19126,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100014,19128,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100028,19129,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100042,19130,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100056,19131,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100070,19132,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100084,19133,1
C,13,water,protons,,,,,ppm,175.900,internal,indirect,0.251449530,,,,,,,,,,100099,19134,1
H,1,water,protons,,,,,ppm,4.964,internal,direct,1.000000000,,,,,,,,,,100099,19134,1
N,15,water,protons,,,,,ppm,118.472,internal,indirect,0.101329118,,,,,,,,,,100099,19134,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100113,19135,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100113,19135,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100113,19135,1
C,13,DSS,methyl carbons,,,,,ppm,,na,direct,1,,,,,,,,,,100128,19136,1
H,1,DSS,methyl protons,,,,,ppm,,na,direct,1,,,,,,,,,,100128,19136,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,,na,direct,1,,,,,,,,,,100128,19136,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100143,19137,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100143,19137,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100143,19137,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100160,19138,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100160,19138,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100160,19138,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100174,19139,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100174,19139,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100174,19139,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,100189,19140,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,100206,19141,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100225,19142,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100225,19142,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100225,19142,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100241,19143,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100241,19143,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100241,19143,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,separate NMR sample tube similar to the experimental one,cylindrical,Parallel,,,,,,,100260,19144,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,separate NMR sample tube similar to the experimental one,cylindrical,Parallel,,,,,,,100282,19145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100300,19146,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100300,19146,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100300,19146,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100317,19147,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100317,19147,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100317,19147,1
C,13,glucose,carbon,,,,,ppm,0,internal,indirect,1,,,,,,,,,,100331,19148,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,100331,19148,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,indirect,1,,,,,,,,,,100331,19148,1
C,13,glucose,carbon,,,,,ppm,3.8,internal,indirect,1,,,,,,,,,,100347,19149,1
H,1,water,protons,,,,,ppm,3.8,internal,indirect,1,,,,,,,,,,100347,19149,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,3.8,internal,indirect,1,,,,,,,,,,100347,19149,1
C,13,na,na,,,,,ppm,41.706,na,indirect,0.251449530,,,,,,,,,,100367,19150,1
H,1,water,protons,,,,,ppm,4.744,internal,direct,1.000000000,,,,,,,,,,100367,19150,1
N,15,na,na,,,,,ppm,118.050,na,indirect,0.101329118,,,,,,,,,,100367,19150,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,100384,19151,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,100384,19151,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,100384,19151,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,100403,19152,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,100403,19152,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,100403,19152,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100428,19153,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100428,19153,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100428,19153,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100449,19154,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100449,19154,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100464,19155,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100464,19155,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100464,19155,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100486,19156,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100486,19156,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100486,19156,1
C,13,adamantane,methine carbon,,,,,ppm,31.47,external,indirect,1.0,,,,,,,,,,100503,19157,1
N,15,adamantane,methine carbon,,,,,ppm,31.47,external,indirect,,,,,,,,,,,100503,19157,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,100525,19158,1
P,31,DSS,methyl protons,,,,,ppm,0,external,indirect,0.404808636,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,100525,19158,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,100548,19159,1
P,31,DSS,methyl protons,,,,,ppm,0,external,indirect,0.404808636,,,,,,,,,,100548,19159,1
C,13,TSP,protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,100566,19160,1
H,1,TSP,protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,100566,19160,1
N,15,TSP,protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,100566,19160,1
C,13,water,protons,,,,,ppm,4.70,internal,indirect,0.25144952,,,,,,,,,,100584,19161,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.00000000,,,,,,,,,,100584,19161,1
N,15,water,protons,,,,,ppm,4.70,internal,indirect,0.10132905,,,,,,,,,,100584,19161,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,100606,19162,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,100606,19162,1
N,15,Nitromethane,nitrogen,,,,,ppm,380.2,external,direct,1,,,,,,,,,,100606,19162,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100625,19163,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100625,19163,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100625,19163,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,100645,19164,1
H,1,DSS,methyl protons,,,,,ppm,-0.103,internal,direct,1,,,,,,,,,,100645,19164,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,100645,19164,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100665,19165,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100665,19165,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100665,19165,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100685,19167,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100685,19167,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100685,19167,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100711,19168,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100711,19168,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100711,19168,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100738,19169,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100738,19169,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100738,19169,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,100752,1917,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,100766,19170,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100782,19171,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100782,19171,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100782,19171,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100798,19172,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100798,19172,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100798,19172,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100815,19173,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100815,19173,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100815,19173,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100829,19174,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100829,19174,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100829,19174,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,100829,19174,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,100848,19175,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100848,19175,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,100867,19176,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100867,19176,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,100886,19177,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100886,19177,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100904,19178,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100904,19178,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100904,19178,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100923,19179,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100923,19179,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,100937,1918,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,100953,19180,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,100967,19181,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,100967,19181,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,100985,19182,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,100985,19182,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,100985,19182,1
H,1,DSS,methyl protons,,,,,ppm,0.00000000,internal,direct,1,,,,,,,,,,101002,19183,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,101016,19184,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101036,19185,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101036,19185,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101036,19185,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,101053,19186,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,108646,196,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,101053,19186,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,101053,19186,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101071,19187,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101071,19187,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101071,19187,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,101088,19188,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,101088,19188,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,101088,19188,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,101106,19189,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,101106,19189,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,101106,19189,1
H,,HOD,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,101122,1919,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,101143,19190,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,101143,19190,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0,,,,,,,,,,101159,19191,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,101178,19192,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,101178,19192,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101198,19193,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101198,19193,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101198,19193,1
C,13,adamantane,methylene carbon,,,,,ppm,38.48,external,direct,1,,,,,,,,,,101216,19194,1
H,1,adamantane,methylene carbon,,,,,ppm,38.48,external,indirect,3.9767799,,,,,,,,,,101216,19194,1
N,15,adamantane,methylene carbon,,,,,ppm,38.48,external,indirect,0.40298,,,,,,,,,,101216,19194,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144953,,,,,,,,,,101234,19195,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.00000000,,,,,,,,,,101234,19195,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.10132912,,,,,,,,,,101234,19195,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101254,19196,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101254,19196,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101254,19196,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101275,19197,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101275,19197,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101275,19197,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101295,19198,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101295,19198,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101295,19198,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,101308,192,1
H,,HOD,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,101321,1920,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101341,19200,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101341,19200,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101341,19200,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101361,19201,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101361,19201,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101361,19201,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101378,19202,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101378,19202,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101397,19203,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101397,19203,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101397,19203,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101412,19204,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101412,19204,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101412,19204,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101428,19205,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101428,19205,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101428,19205,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101448,19206,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101448,19206,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101448,19206,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,101462,19207,1
H,1,water,protons,,,,,ppm,4.84,internal,direct,1,,,,,,,,,,101462,19207,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,101462,19207,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101485,19208,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101485,19208,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101485,19208,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,101502,19209,1
H,1,water,protons,,,,,ppm,4.84,internal,direct,1,,,,,,,,,,101502,19209,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,101502,19209,1
H,,HOD,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,101515,1921,1
C,13,water,protons,,,,,ppm,4.754,internal,indirect,,,,,,,,,,,101535,19210,1
H,1,water,protons,,,,,ppm,5.2,internal,direct,1.000000000,,,,,,,,,,101535,19210,1
N,15,NH4Cl,nitrogen,,,,,ppm,24.93,external,direct,1.000000000,,,,,,,,,,101535,19210,1
H,1,water,protons,,,,,ppm,4.754,external,indirect,1.0,,,,,,,,,,101555,19211,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.93,external,direct,1.0,,,,,,,,,,101555,19211,1
H,1,water,protons,,,,,ppm,4.754,internal,indirect,1.0,,,,,,,,,,101575,19212,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,24.93,external,indirect,1.0,,,,,,,,,,101575,19212,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101596,19213,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101596,19213,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101596,19213,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101617,19214,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101617,19214,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101617,19214,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101634,19215,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101634,19215,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101634,19215,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101651,19216,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101651,19216,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101665,19217,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,101665,19217,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101665,19217,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,101684,19218,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101701,19219,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101701,19219,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101701,19219,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101717,19220,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101717,19220,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101717,19220,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101733,19221,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101733,19221,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101733,19221,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,101759,19222,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,101759,19222,1
P,31,TMP,phosphorus,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,101759,19222,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101784,19223,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101784,19223,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101784,19223,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101803,19224,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101803,19224,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101803,19224,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101823,19225,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101823,19225,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101823,19225,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,101851,19226,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,101868,19227,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,101868,19227,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,101868,19227,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,101885,19228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,101885,19228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,101885,19228,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101908,19229,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101908,19229,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101908,19229,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,101908,19229,1
C,13,acetate,methyl carbon,,,,,ppm,21.03,na,indirect,1,,,,,,,,,,101926,19230,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,101926,19230,1
N,15,urea,nitrogen,,,,,ppm,73.4,na,indirect,1,,,,,,,,,,101926,19230,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101946,19231,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,101946,19231,1
N,15,DSS,nitrogen,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101946,19231,1
C,13,TMS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,101973,19232,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,101973,19232,1
N,15,TMS,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,101973,19232,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,101993,19233,1
H,1,water,protons,,,,,ppm,4.771,internal,direct,1.0,,,,,,,,,,101993,19233,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,101993,19233,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102013,19234,1
H,1,water,protons,,,,,ppm,4.771,internal,direct,1.0,,,,,,,,,,102013,19234,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102013,19234,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102037,19235,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102037,19235,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102037,19235,1
C,13,DSS,methyl carbon,,,,,ppm,54.03,internal,indirect,0.2514495,,,,,,,,,,102054,19236,1
H,1,water,protons,,,,,ppm,4.734,internal,direct,1.0,,,,,,,,,,102054,19236,1
N,15,DSS,methyl carbon,,,,,ppm,118.53,internal,indirect,0.1013291,,,,,,,,,,102054,19236,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,102073,19237,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,102073,19237,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,102073,19237,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102088,19238,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102088,19238,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102088,19238,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102105,19239,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102105,19239,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102105,19239,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102123,19240,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102123,19240,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102123,19240,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102141,19241,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102141,19241,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102141,19241,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,102160,19242,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102160,19242,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,102160,19242,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102177,19243,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102177,19243,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102177,19243,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102194,19244,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102194,19244,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102194,19244,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102213,19245,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102213,19245,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102213,19245,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102228,19246,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102228,19246,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102228,19246,1
C,13,DSS,methyl carbon,,,,,ppm,54.03,internal,direct,1.0,,,,,,,,,,102244,19247,1
H,1,water,protons,,,,,ppm,4.734,internal,direct,1.0,,,,,,,,,,102244,19247,1
N,15,DSS,nitrogen,,,,,ppm,118.53,internal,direct,1.0,,,,,,,,,,102244,19247,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,102262,19248,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,102262,19248,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,102262,19248,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,102278,19249,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,102278,19249,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.51,internal,direct,1,,,,,,,,,,102295,19250,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102315,19251,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102315,19251,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102315,19251,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,102331,19252,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,102331,19252,1
N,15,[15N] nitromethane,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,102331,19252,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102349,19253,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102349,19253,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102349,19253,1
H,1,HDO,proton,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,102369,19254,1
H,1,HDO,proton,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,102388,19255,1
H,1,HDO,proton,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,102413,19256,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102432,19257,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102432,19257,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102432,19257,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102451,19258,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102451,19258,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102451,19258,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102470,19259,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102470,19259,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102470,19259,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,102470,19259,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102499,19260,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102499,19260,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102499,19260,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,102516,19261,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,102516,19261,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,102516,19261,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102533,19262,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102533,19262,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102550,19263,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102550,19263,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,102567,19264,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,102567,19264,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,102567,19264,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102588,19266,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102588,19266,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102588,19266,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251,,,,,,,,,,102605,19267,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1.0,,,,,,,,,,102605,19267,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.101,,,,,,,,,,102605,19267,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102630,19268,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102630,19268,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102630,19268,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,102647,19269,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,102647,19269,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,102663,19270,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,102663,19270,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,102663,19270,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,102680,19271,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,102680,19271,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,102680,19271,1
C,13,water,methyl protons,,,,,ppm,4.8,internal,indirect,0.251449512,,,,,,,,,,102700,19272,1
H,1,water,methyl protons,,,,,ppm,4.8,internal,indirect,1.00000000,,,,,,,,,,102700,19272,1
N,15,water,methyl protons,,,,,ppm,4.8,internal,indirect,0.10132905,,,,,,,,,,102700,19272,1
C,13,water,water,,,,,ppm,4.77,na,indirect,0.251449530,,,,,,,,,,102720,19273,1
H,1,water,water,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,102720,19273,1
N,15,water,water,,,,,ppm,4.77,na,indirect,0.101329118,,,,,,,,,,102720,19273,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000,,,,,,,,,,102738,19274,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000,,,,,,,,,,102738,19274,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,1.0000000,,,,,,,,,,102738,19274,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102758,19275,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102758,19275,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102780,19276,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102802,19277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102824,19278,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102846,19279,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102868,19280,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102889,19281,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102910,19282,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102910,19282,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102910,19282,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102930,19283,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102930,19283,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102930,19283,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,102962,19285,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,102962,19285,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,102962,19285,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,102983,19286,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,102983,19286,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,102983,19286,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103000,19287,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103000,19287,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103000,19287,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103022,19288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103022,19288,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103022,19288,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.2514495299,,,,,,,,,,103042,19290,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,103042,19290,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,103042,19290,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103057,19291,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103074,19292,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103090,19293,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103090,19293,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103090,19293,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103105,19294,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103105,19294,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103105,19294,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103121,19295,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103139,19296,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,103157,19297,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,103157,19297,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.10132918,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,103157,19297,1
C,13,DSS,methyl protons,,,,,ppm,118.0,external,indirect,1.00000000,,,,,,,,,,103172,19298,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,103172,19298,1
N,15,DSS,methyl protons,,,,,ppm,42.6,external,indirect,1.00000000,,,,,,,,,,103172,19298,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,103201,19299,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000,,,,,,,,,,103201,19299,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,103201,19299,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,103217,193,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25,,,,,,,,,,103236,19300,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,103236,19300,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1,,,,,,,,,,103236,19300,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103255,19301,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103255,19301,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103255,19301,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103275,19302,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103275,19302,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103275,19302,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103295,19303,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103295,19303,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103295,19303,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,103312,19304,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103332,19305,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103332,19305,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103332,19305,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103354,19306,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103354,19306,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103354,19306,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,spherical,parallel,,,.3,,,,103371,19307,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,spherical,parallel,,,.1,,,,103371,19307,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,spherical,parallel,,,.3,,,,103371,19307,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103386,19308,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103386,19308,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103386,19308,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.54,internal,direct,1,,,,,,,,,,103403,19309,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103427,19311,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103427,19311,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103427,19311,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103454,19312,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103454,19312,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103454,19312,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103483,19314,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103483,19314,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103483,19314,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103509,19315,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103509,19315,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103509,19315,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103523,19317,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103523,19317,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103523,19317,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103540,19318,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103540,19318,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103540,19318,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103564,19319,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103564,19319,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103564,19319,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103579,19320,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103579,19320,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103579,19320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103593,19321,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103593,19321,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103593,19321,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103614,19322,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103614,19322,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103633,19323,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103633,19323,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103633,19323,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103651,19324,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103651,19324,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103651,19324,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103668,19325,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103668,19325,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103668,19325,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103696,19327,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103696,19327,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103696,19327,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103730,19328,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103730,19328,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103730,19328,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103762,19329,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103762,19329,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103762,19329,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,103779,19330,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,103779,19330,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,103779,19330,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103804,19331,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103804,19331,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103804,19331,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103818,19332,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103818,19332,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103818,19332,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,,,,,,,,,,103841,19333,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.00000000,,,,,,,,,,103841,19333,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,103841,19333,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103858,19334,1
C,13,water,protons,,,,,ppm,4.689,internal,indirect,0.251449530,,,,,,,,,,103875,19335,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1.000000000,,,,,,,,,,103875,19335,1
N,15,water,protons,,,,,ppm,4.689,internal,indirect,0.101329118,,,,,,,,,,103875,19335,1
C,13,water,protons,,,,,ppm,4.453,internal,indirect,0.251449530,,,,,,,,,,103893,19336,1
H,1,water,protons,,,,,ppm,4.453,internal,direct,1.000000000,,,,,,,,,,103893,19336,1
N,15,water,protons,,,,,ppm,4.453,internal,indirect,0.101329118,,,,,,,,,,103893,19336,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103908,19337,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103908,19337,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103908,19337,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103923,19338,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103923,19338,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103923,19338,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103938,19339,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,103938,19339,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103938,19339,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,103957,19340,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,103957,19340,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,103957,19340,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103972,19342,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,0,,,,,,,,,,103972,19342,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103972,19342,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,103988,19344,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,103988,19344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,103988,19344,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104003,19345,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104003,19345,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104003,19345,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104018,19346,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104018,19346,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104018,19346,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104033,19347,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104033,19347,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104033,19347,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,104047,19348,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104047,19348,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,104047,19348,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,104061,19349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104061,19349,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,104061,19349,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,104075,19350,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104075,19350,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,104075,19350,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,104090,19351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104090,19351,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,104090,19351,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,104113,19353,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104113,19353,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104113,19353,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,104129,19354,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,104129,19354,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,104129,19354,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,104145,19355,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,104145,19355,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,104145,19355,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144953,,,,,,,,,,104175,19356,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104175,19356,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329100,,,,,,,,,,104175,19356,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,none,,,,104194,19357,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,none,,,,104194,19357,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,none,,,,104194,19357,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,none,,,,104210,19358,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,none,,,,104210,19358,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,none,,,,104210,19358,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104258,19362,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104258,19362,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104258,19362,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104283,19363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104283,19363,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104283,19363,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,104301,19364,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,0.000000000,,,,,,,,,,104301,19364,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,104301,19364,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104320,19365,1
H,1,water,protons,,,,,ppm,4.75,na,direct,1.000000000,,,,,,,,,,104320,19365,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104320,19365,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,,,,,,,,,104336,19366,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,,,,,,,,,104336,19366,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,,,,,,,,,104336,19366,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,104357,19367,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,104357,19367,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,104357,19367,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,104374,19368,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,104374,19368,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,104374,19368,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104393,19369,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104393,19369,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104393,19369,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104411,19370,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104411,19370,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104411,19370,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104430,19371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104430,19371,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104430,19371,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104446,19372,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104446,19372,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104446,19372,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,104465,19374,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,104465,19374,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,104465,19374,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1,,,,,,,,,,104486,19375,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104509,19376,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,104509,19376,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104509,19376,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104528,19377,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104528,19377,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104528,19377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104546,19379,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104546,19379,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104546,19379,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104567,19380,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104567,19380,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104567,19380,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,104585,19381,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,104607,19382,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,104607,19382,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,104607,19382,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,104622,19383,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104622,19383,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,104622,19383,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104643,19384,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104664,19385,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104680,19386,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104707,19387,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,104707,19387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104751,19389,1
C,13,water,protons,,,,,ppm,4.534,internal,indirect,0.251449530,,,,,,,,,,104770,19390,1
H,1,water,protons,,,,,ppm,4.534,internal,direct,1.000000000,,,,,,,,,,104770,19390,1
N,15,water,protons,,,,,ppm,4.534,internal,indirect,0.101329118,,,,,,,,,,104770,19390,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104789,19391,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104789,19391,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104789,19391,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,109697,19660,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104804,19392,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104804,19392,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104804,19392,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104821,19393,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104821,19393,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104847,19394,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104847,19394,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104847,19394,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,104866,19395,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,104866,19395,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1,,,,,,,,,,104866,19395,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,104883,19396,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,104883,19396,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,104883,19396,1
H,1,water,protons,,,,,ppm,,external,indirect,1.00000000,,,,,,,,,,104902,19397,1
N,15,water,protons,,,,,ppm,,external,indirect,0.10000000,,,,,,,,,,104902,19397,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104922,19398,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104922,19398,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104922,19398,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,104940,19399,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104940,19399,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,104940,19399,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,104953,194,1
C,13,HDO,HDO,,,,,ppm,4.486,internal,indirect,0.25144953,,,,,,,,,,104975,19400,1
H,1,HDO,HDO,,,,,ppm,4.486,internal,indirect,1,,,,,,,,,,104975,19400,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,104996,19402,1
C,13,water,protons,,,,,ppm,4.76,internal,indirect,0.251449530,,,,,,,,,,105015,19403,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,105015,19403,1
N,15,water,protons,,,,,ppm,4.76,internal,indirect,0.101329118,,,,,,,,,,105015,19403,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105046,19404,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105046,19404,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105046,19404,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1.00000000,,,,,,,,,,105065,19406,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.10000000,,,,,,,,,,105065,19406,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105081,19407,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105081,19407,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105081,19407,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105097,19408,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105097,19408,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105097,19408,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105113,19409,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105113,19409,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105129,19410,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105129,19410,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105129,19410,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105145,19411,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105145,19411,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105145,19411,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.00000000,,,,,,,,,,105162,19412,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.10000000,,,,,,,,,,105162,19412,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,105181,19413,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,105181,19413,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,105181,19413,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,105201,19414,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,105201,19414,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,0.101329118,,,,,,,,,,105201,19414,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105219,19415,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105219,19415,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105219,19415,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105237,19416,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105237,19416,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105237,19416,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,105255,19417,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,105255,19417,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,105255,19417,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105272,19418,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105272,19418,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105272,19418,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,105291,19419,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,105291,19419,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,105291,19419,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105326,19421,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105326,19421,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105326,19421,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,105326,19421,1
C,13,water,protons,,,,,ppm,4.772,,indirect,0.251449530,,,,,,,,,,105363,19422,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1.000000000,,,,,,,,,,105363,19422,1
N,15,water,protons,,,,,ppm,4.772,,indirect,0.101329118,,,,,,,,,,105363,19422,1
C,13,water,protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,105381,19423,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,105381,19423,1
N,15,water,protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,105381,19423,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105397,19424,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105397,19424,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105397,19424,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105415,19425,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105415,19425,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105415,19425,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105433,19426,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105433,19426,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105433,19426,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105451,19427,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105451,19427,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105451,19427,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,105466,19428,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,105483,19429,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,105484,19429,2
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,perpendicular,,,ppm,26,,,105499,19430,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105519,19431,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105519,19431,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105519,19431,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,105519,19431,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,105539,19432,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,105539,19432,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,105539,19432,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105558,19433,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105558,19433,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105558,19433,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,105577,19435,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105600,19436,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105600,19436,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105600,19436,1
H,1,water,protons,,,,,ppm,4.61,internal,direct,1,,,,,,,,,,105617,19437,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,,,,,,,,,105632,19438,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,,,,,,,,,105632,19438,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,other,,,,,,,,,105632,19438,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105655,19439,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105655,19439,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105655,19439,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105674,19440,1
P,31,TMP,phosphorus,,,,,ppm,0.00,internal,indirect,0.404808636,,,,,,,,,,105674,19440,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105696,19441,1
P,31,TMP,phosphorus,,,,,ppm,0.00,internal,indirect,0.404808636,,,,,,,,,,105696,19441,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105718,19442,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105718,19442,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105718,19442,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105732,19443,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105732,19443,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105732,19443,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105755,19444,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105755,19444,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105755,19444,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105770,19446,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105770,19446,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105770,19446,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,105794,19447,1
N,15,water,protons,,,,,ppm,117.460,internal,indirect,0.101329118,,,,,,,,,,105794,19447,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,105815,19448,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105832,19449,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105832,19449,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105832,19449,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.251449530,,,,,,,,,,105851,19450,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.000000000,,,,,,,,,,105851,19450,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.101329118,,,,,,,,,,105851,19450,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105867,19451,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105867,19451,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105867,19451,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105887,19452,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105887,19452,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105887,19452,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,105905,19453,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,105905,19453,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,105905,19453,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,26.8,external,direct,1.0,,,,,,,,,,105938,19454,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,26.8,external,direct,1.0,,,,,,,,,,105968,19455,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,26.8,external,direct,1.0,,,,,,,,,,105996,19456,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,26.8,external,direct,1.0,,,,,,,,,,106025,19457,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106045,19458,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106045,19458,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106045,19458,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106065,19459,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106065,19459,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106065,19459,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.251449530,,,,,,,,,,106085,19460,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.000000000,,,,,,,,,,106085,19460,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.101329118,,,,,,,,,,106085,19460,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106105,19461,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106105,19461,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106105,19461,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106125,19462,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106125,19462,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106125,19462,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106144,19463,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106144,19463,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106144,19463,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106171,19464,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106171,19464,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106171,19464,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106189,19466,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106189,19466,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106189,19466,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106206,19467,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106206,19467,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106206,19467,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,106206,19467,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,106221,19468,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,106236,19469,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,106251,19470,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,106266,19471,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106289,19472,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106289,19472,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106289,19472,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106312,19473,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106312,19473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106312,19473,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,106332,19474,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,106332,19474,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,106332,19474,1
C,13,water,protons,,,,,ppm,4.7000,na,indirect,0.251449530,,,,,,,,,,106348,19476,1
H,1,water,protons,,,,,ppm,4.9745,internal,direct,1.0,,,,,,,,,,106348,19476,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106363,19477,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106363,19477,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106363,19477,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106377,19478,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106377,19478,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106377,19478,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106396,19479,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106396,19479,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106396,19479,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106413,19480,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106413,19480,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106413,19480,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,106413,19480,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106430,19481,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106430,19481,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106430,19481,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,106430,19481,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106458,19482,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106458,19482,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106458,19482,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106478,19483,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106478,19483,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106478,19483,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106497,19484,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106497,19484,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106511,19485,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106511,19485,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106511,19485,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106538,19486,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106538,19486,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106538,19486,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106557,19487,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106557,19487,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106557,19487,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106575,19488,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106575,19488,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106575,19488,1
C,13,TMS,methyl carbon,,,,,ppm,,internal,direct,1,,,,,,,,,,106590,19489,1
H,1,water,protons,,,,,ppm,,internal,direct,1,,,,,,,,,,106590,19489,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,,internal,direct,1,,,,,,,,,,106590,19489,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106607,19490,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106607,19490,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106607,19490,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106630,19491,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106630,19491,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106630,19491,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,106649,19493,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,106649,19493,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106666,19494,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106666,19494,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106666,19494,1
C,13,TSP,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,106681,19495,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.000000000,,,,,,,,,,106681,19495,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,106681,19495,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106696,19496,1
H,1,water,protons,,,,,ppm,4.68,internal,direct,1.000000000,,,,,,,,,,106696,19496,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106696,19496,1
C,13,water,protons,,,,,ppm,4.6,internal,indirect,1,,,,,,,,,,106714,19497,1
H,1,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,106714,19497,1
N,15,water,protons,,,,,ppm,4.6,internal,indirect,1,,,,,,,,,,106714,19497,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,106735,19498,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,106735,19498,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,106735,19498,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106752,19499,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106752,19499,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106752,19499,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,106765,195,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,106765,195,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106782,19500,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106782,19500,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106782,19500,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,106802,19501,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,106802,19501,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106829,19502,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,106829,19502,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106829,19502,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106845,19503,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,106862,19504,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,106879,19505,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,106896,19506,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.0,,,,,,,,,,106896,19506,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,106896,19506,1
C,13,TSP,protons,,,,,ppm,0.00,internal,indirect,0.25144953,,,,,,,,,,106910,19507,1
H,1,TSP,protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,106910,19507,1
N,15,TSP,protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,106910,19507,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106927,19508,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106927,19508,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106927,19508,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106944,19510,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106944,19510,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106944,19510,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106964,19511,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106964,19511,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106964,19511,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,106988,19512,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,106988,19512,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,106988,19512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107012,19513,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107012,19513,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107012,19513,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107036,19514,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107036,19514,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107036,19514,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107060,19515,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107060,19515,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107060,19515,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,107084,19516,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107084,19516,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,107084,19516,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107100,19517,1
H,1,water,protons,,,,,ppm,4.54,internal,direct,1.0,,,,,,,,,,107100,19517,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107100,19517,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,107123,19518,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,107123,19518,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132918,,,,,,,,,,107123,19518,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107139,19519,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25145,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107157,19520,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107157,19520,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10133,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107157,19520,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25145,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107175,19521,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107175,19521,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10133,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107175,19521,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25145,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107204,19522,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107204,19522,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10133,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107204,19522,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,3.977,,,,,,,,,,107223,19523,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,107223,19523,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,9.868,,,,,,,,,,107223,19523,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107240,19524,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449519,,,,,,,,,,107258,19525,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,107258,19525,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,107258,19525,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.2514,,,,,,,,,,107277,19526,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,107277,19526,1
N,15,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.1010,,,,,,,,,,107277,19526,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107294,19527,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107311,19528,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107325,19530,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107325,19530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107325,19530,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107342,19531,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107342,19531,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107342,19531,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107359,19532,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107359,19532,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107359,19532,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107375,19533,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107375,19533,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107375,19533,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107401,19534,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107401,19534,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107401,19534,1
C,13,water,protons,,,,,ppm,4.781,na,indirect,0.251449530,,,,,,,,,,107421,19535,1
H,1,water,protons,,,,,ppm,4.781,internal,direct,1.000000000,,,,,,,,,,107421,19535,1
N,15,water,protons,,,,,ppm,4.781,na,indirect,0.101329118,,,,,,,,,,107421,19535,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449528,,,,,,,,,,107438,19536,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,107438,19536,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,107438,19536,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107456,19538,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107456,19538,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107456,19538,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449528,,,,,,,,,,107475,19539,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,107475,19539,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,107475,19539,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107493,19540,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107493,19540,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107493,19540,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.0,,,,,,,,,,107515,19541,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,107515,19541,1
C,13,water,protons,,,,,ppm,4.76,internal,direct,0,,,,,,,,,,107544,19542,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,0,,,,,,,,,,107544,19542,1
N,15,water,protons,,,,,ppm,4.76,internal,direct,0,,,,,,,,,,107544,19542,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107572,19544,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107572,19544,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107572,19544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107594,19545,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107594,19545,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,107594,19545,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107622,19546,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107622,19546,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107622,19546,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107651,19547,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107651,19547,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107651,19547,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107680,19548,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107680,19548,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107680,19548,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107707,19549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107707,19549,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107707,19549,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107732,19550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107732,19550,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107732,19550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107751,19551,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,107775,19552,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,107775,19552,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,107775,19552,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,107797,19553,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,107797,19553,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,107797,19553,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107821,19554,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107821,19554,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107821,19554,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107839,19555,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107839,19555,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107839,19555,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107857,19556,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107857,19556,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107857,19556,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107882,19557,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107903,19558,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107903,19558,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107903,19558,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107924,19559,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107924,19559,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107924,19559,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107943,19560,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107943,19560,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107943,19560,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,107959,19561,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,107959,19561,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,107959,19561,1
C,13,water,protons,,,,,ppm,40,internal,direct,,,,,,,,,,,107981,19562,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,107981,19562,1
N,15,water,protons,,,,,ppm,118,internal,direct,,,,,,,,,,,107981,19562,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108009,19563,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108009,19563,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108009,19563,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108028,19564,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108028,19564,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108028,19564,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108051,19565,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108051,19565,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108051,19565,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108072,19566,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108072,19566,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108072,19566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108095,19567,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108095,19567,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108095,19567,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,108115,19568,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,108115,19568,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,108115,19568,1
C,13,water,protons,,,,,ppm,4.76,na,indirect,0.25144953,,,,,,,,,,108133,19569,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,108133,19569,1
N,15,water,protons,,,,,ppm,4.76,na,indirect,0.101329119,,,,,,,,,,108133,19569,1
C,13,water,protons,,,,,ppm,4.76,internal,indirect,0.251449530,,,,,,,,,,108152,19570,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,108152,19570,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.00000000,,,,,,,,,,108172,19571,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.00000000,,,,,,,,,,108193,19572,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108208,19573,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108208,19573,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108208,19573,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,external,direct,0.251449530,,,,,,,,,,108229,19575,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108229,19575,1
C,13,water,protons,,,,,ppm,4.74,internal,indirect,0.251449530,,,,,,,,,,108246,19576,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1,,,,,,,,,,108246,19576,1
N,15,water,protons,,,,,ppm,4.74,internal,indirect,0.101329118,,,,,,,,,,108246,19576,1
C,13,dioxane,protons,,,,,ppm,3.750,internal,indirect,0.251449530,,,,,,,,,,108266,19577,1
H,1,dioxane,protons,,,,,ppm,3.750,internal,direct,1.000000000,,,,,,,,,,108266,19577,1
N,15,dioxane,protons,,,,,ppm,3.750,internal,indirect,0.101329118,,,,,,,,,,108266,19577,1
C,13,dioxane,methylene protons,,,,,ppm,3.750,internal,indirect,0.251449530,,,,,,,,,,108285,19578,1
H,1,dioxane,methylene protons,,,,,ppm,3.750,internal,direct,1,,,,,,,,,,108285,19578,1
N,15,dioxane,methylene protons,,,,,ppm,3.750,internal,indirect,0.101329118,,,,,,,,,,108285,19578,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,108306,19579,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,108306,19579,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,108306,19579,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108324,19580,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108341,19581,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108341,19581,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108359,19582,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108359,19582,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108377,19583,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108377,19583,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,108393,19584,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,108393,19584,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,108393,19584,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,108408,19585,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108424,19586,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,108424,19586,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108424,19586,1
C,13,dioxane,methylene protons,,,,,ppm,3.750,internal,indirect,0.251449530,,,,,,,,,,108443,19587,1
H,1,dioxane,methylene protons,,,,,ppm,3.750,internal,indirect,1,,,,,,,,,,108443,19587,1
N,15,dioxane,methylene protons,,,,,ppm,3.750,internal,indirect,0.101329118,,,,,,,,,,108443,19587,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,108461,19589,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,108461,19589,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108476,19590,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108491,19591,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,108510,19592,1
C,13,water,protons,,,,,ppm,4.76,internal,indirect,,,,,,,,,,,108532,19593,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,108532,19593,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108555,19594,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108574,19595,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108574,19595,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108590,19596,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108590,19596,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108590,19596,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,108605,19597,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108619,19598,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108633,19599,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108661,19600,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108661,19600,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108661,19600,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,108661,19600,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108679,19601,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108679,19601,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108679,19601,1
C,13,TMS,methyl carbon,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,108709,19602,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,108709,19602,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,108709,19602,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,108726,19603,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108746,19604,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108746,19604,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108746,19604,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.250000000,,,,,,,,,,108768,19605,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,108768,19605,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.100000000,,,,,,,,,,108768,19605,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108788,19606,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108788,19606,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108788,19606,1
C,13,DSS,methyl protons,,,,,ppm,45,na,indirect,0.251449530,,,,,,,,,,108805,19607,1
H,1,water,methyl protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,108805,19607,1
N,15,DSS,methyl protons,,,,,ppm,118,na,indirect,0.101329118,,,,,,,,,,108805,19607,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108832,19608,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108832,19608,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108832,19608,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108850,19609,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108850,19609,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108850,19609,1
C,13,water,protons,,,,,ppm,4.85,internal,indirect,0.251449530,,,,,,,,,,108873,19610,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1,,,,,,,,,,108873,19610,1
N,15,water,protons,,,,,ppm,4.85,internal,indirect,0.101329118,,,,,,,,,,108873,19610,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108893,19611,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108893,19611,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108913,19613,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108913,19613,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108913,19613,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108933,19614,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108933,19614,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108933,19614,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,108948,19615,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108948,19615,1
N,15,liquid NH3,Nitrogen,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,108948,19615,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108968,19616,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108968,19616,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108968,19616,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,108983,19617,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,108983,19617,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,108983,19617,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109000,19618,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109000,19618,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109000,19618,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,109026,19619,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109026,19619,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109048,19620,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,109070,19621,1
H,1,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,109070,19621,1
N,15,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109070,19621,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,109091,19622,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,109091,19622,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,109091,19622,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109112,19623,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109112,19623,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109112,19623,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.0,,,,,,,,,,109128,19624,1
N,15,water,protons,,,,,ppm,4.677,internal,indirect,0.101329118,,,,,,,,,,109128,19624,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109146,19625,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109146,19625,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109146,19625,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,109163,19626,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,109163,19626,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109697,19660,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,109163,19626,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109182,19627,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109182,19627,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109182,19627,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109200,19628,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109200,19628,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109200,19628,1
C,13,na,na,,,,,ppm,41.706,na,indirect,0.251449530,,,,,,,,,,109218,19629,1
H,1,water,protons,,,,,ppm,4.744,internal,direct,1.000000000,,,,,,,,,,109218,19629,1
N,15,na,na,,,,,ppm,118.050,na,indirect,0.101329118,,,,,,,,,,109218,19629,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109237,19632,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109237,19632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109237,19632,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109256,19633,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109256,19633,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109256,19633,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,109256,19633,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109285,19634,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109285,19634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109285,19634,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.00000000,,,,,,,,,,109303,19635,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109319,19637,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109319,19637,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109319,19637,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,109319,19637,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109337,19638,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109353,19641,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109353,19641,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109353,19641,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109370,19642,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109370,19642,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109370,19642,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109390,19643,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,109390,19643,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109390,19643,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109412,19644,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,109412,19644,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109412,19644,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109433,19645,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,109433,19645,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109433,19645,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,109460,19646,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,109460,19646,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,109460,19646,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109479,19648,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,109479,19648,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109479,19648,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109498,19649,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,109498,19649,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109498,19649,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109517,19650,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,109517,19650,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109517,19650,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109536,19651,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,109536,19651,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109536,19651,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,109559,19653,1
H,1,HDO,water proton,,,,,ppm,4.802,internal,indirect,1.000000000,,,,,,,,,,109559,19653,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,109559,19653,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109583,19654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109583,19654,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109583,19654,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109602,19655,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,109602,19655,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109602,19655,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109621,19656,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,109621,19656,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109621,19656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109638,19657,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109638,19657,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109638,19657,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,109654,19658,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1,,,,,,,,,,109679,19659,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109697,19660,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1,,,,,,,,,,109722,19661,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109755,19662,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109755,19662,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109755,19662,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,109770,19663,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109790,19664,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109790,19664,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109790,19664,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,109811,19666,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,109811,19666,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,109811,19666,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109826,19667,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109826,19667,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109826,19667,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109854,19668,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109854,19668,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109854,19668,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109870,19669,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109870,19669,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109870,19669,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109886,19670,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109886,19670,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109886,19670,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109905,19671,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109905,19671,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109905,19671,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,109905,19671,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,109919,19672,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,109919,19672,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,109919,19672,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,109937,19673,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,109937,19673,1
N,15,water,nitrogen,,,,,na,0,na,indirect,1.0,,,,,,,,,,109937,19673,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109953,19674,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109953,19674,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109953,19674,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109969,19675,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109969,19675,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109969,19675,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,109985,19677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,109985,19677,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,109985,19677,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110001,19678,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110001,19678,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110001,19678,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110017,19679,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110017,19679,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110017,19679,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,110031,1968,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,110049,19680,1
H,1,water,protons,,,,,ppm,4.802,internal,direct,1,,,,,,,,,,110049,19680,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,110049,19680,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110071,19681,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,110071,19681,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110071,19681,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110096,19682,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110096,19682,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110096,19682,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110121,19683,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110121,19683,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110121,19683,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110145,19684,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110145,19684,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110145,19684,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110167,19685,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110167,19685,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110167,19685,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,110184,19686,1
H,1,water,protons,,,,,ppm,4.802,internal,direct,1.000000000,,,,,,,,,,110184,19686,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,110184,19686,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110202,19687,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110202,19687,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110202,19687,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,,,,,,,,110218,19688,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,,,,,,,,110218,19688,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,,,,,,,,110218,19688,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110233,19689,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110233,19689,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110233,19689,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110259,19692,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110259,19692,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110259,19692,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110279,19693,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110279,19693,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110279,19693,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110300,19694,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110300,19694,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110300,19694,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110320,19695,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110340,19696,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110358,19697,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110358,19697,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110388,19698,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110388,19698,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110388,19698,1
C,13,water,protons,,,,,ppm,4.700,internal,indirect,0.251449530,,,,,,,,,,110415,19699,1
H,1,water,protons,,,,,ppm,4.700,internal,indirect,1.000000000,,,,,,,,,,110415,19699,1
N,15,water,protons,,,,,ppm,4.700,internal,indirect,0.101329118,,,,,,,,,,110415,19699,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110430,19700,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110430,19700,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,insert at outer edge of experimental sample tube,spherical,parallel,,,,,,,110444,19701,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110465,19702,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110484,19703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110484,19703,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110484,19703,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110504,19704,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110504,19704,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110504,19704,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110541,19707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110541,19707,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110541,19707,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110558,19708,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110558,19708,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110558,19708,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110593,19709,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110593,19709,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110593,19709,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110616,19710,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110616,19710,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110616,19710,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110635,19711,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110635,19711,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110635,19711,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110649,19712,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,110664,19713,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,110664,19713,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,110664,19713,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110685,19714,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110685,19714,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110685,19714,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110702,19715,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110702,19715,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110702,19715,1
C,13,water,protons,,,,,ppm,4.768,internal,indirect,0.251449530,,,,,,,,,,110721,19716,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,110721,19716,1
N,15,water,protons,,,,,ppm,4.768,internal,indirect,0.101329118,,,,,,,,,,110721,19716,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110743,19717,1
H,1,DSS,methyl protons,,,,,ppm,0.8,external,indirect,1,,,,,,,,,,110743,19717,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110743,19717,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110765,19718,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110765,19718,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110765,19718,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110781,19719,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110781,19719,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110781,19719,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110796,19720,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110796,19720,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110796,19720,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110811,19721,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110811,19721,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110811,19721,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110826,19722,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110826,19722,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110826,19722,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110845,19723,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110845,19723,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110845,19723,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110867,19724,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110867,19724,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110867,19724,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110886,19725,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110886,19725,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110886,19725,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110919,19726,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110919,19726,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110919,19726,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110945,19727,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110945,19727,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,110945,19727,1
H,1,TMSPA,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,110961,19728,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,110978,19729,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,110995,19730,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,110995,19730,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111015,19731,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111015,19731,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111015,19731,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111034,19732,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111034,19732,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111034,19732,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111050,19733,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111050,19733,1
C,13,adamantane,CH2,,,,,ppm,40.48,external,indirect,1.0,,,,,,,,,,111067,19734,1
P,31,phosphoric acid (85%),,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,111067,19734,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111091,19735,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111091,19735,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111091,19735,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111109,19736,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111109,19736,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111109,19736,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111128,19737,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111128,19737,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111128,19737,1
C,13,water,protons,,,,,ppm,40,internal,direct,1,,,,,,,,,,111152,19738,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,111152,19738,1
N,15,water,protons,,,,,ppm,118,internal,direct,1,,,,,,,,,,111152,19738,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111167,19739,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111167,19739,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111167,19739,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111191,19740,1
H,1,DSS,methyl protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,111191,19740,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111191,19740,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111211,19741,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111211,19741,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111211,19741,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111226,19742,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111226,19742,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111226,19742,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111240,19743,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111240,19743,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111240,19743,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111256,19744,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111256,19744,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111256,19744,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,111271,19745,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111295,19746,1
C,13,adamantane,CH2,,,,,ppm,40.48,external,indirect,1.00000000,,,,,,,,,,111313,19747,1
N,15,[15N] ammonium chloride,-,,,,,ppm,39.27,external,indirect,1.00000000,,,,,,,,,,111313,19747,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111333,19748,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,111333,19748,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111363,19749,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111363,19749,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111363,19749,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,111376,1975,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,111376,1975,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111394,19750,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111394,19750,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111394,19750,1
C,13,water,protons,,,,,ppm,4.67,internal,indirect,0.2515,,,,,,,,,,111411,19751,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1.0,,,,,,,,,,111411,19751,1
N,15,water,protons,,,,,ppm,4.67,internal,indirect,0.1013,,,,,,,,,,111411,19751,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111429,19752,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111429,19752,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111429,19752,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,In the sample,,,1,entry_citation,,,1,entry_citation,111448,19753,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,In the sample,,,1,entry_citation,,,1,entry_citation,111448,19753,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,In the sample,,,1,entry_citation,,,1,entry_citation,111448,19753,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,111466,19754,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329120,,,,,,,,,,111466,19754,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111487,19755,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111487,19755,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111487,19755,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111502,19757,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111502,19757,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111502,19757,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,111517,19758,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,111517,19758,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,111517,19758,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449930,,,,,,,,,,111537,19759,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111537,19759,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,111537,19759,1
H,1,DSS,methyl protons,,,,,ppm,4.7547,internal,direct,1.000000000,,,,,,,,,,111560,19763,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,111560,19763,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,111579,19764,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111579,19764,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111579,19764,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111597,19765,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111625,19766,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111625,19766,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111625,19766,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,111625,19766,1
C,13,TSP,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,111641,19767,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,32.5,external,direct,1,,,,,,,,,,111641,19767,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,111661,19768,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,111661,19768,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,111661,19768,1
C,13,DSS,methyl carbon,,,,,ppm,0.7,internal,indirect,0.251449530,,,,,,,,,,111677,19769,1
H,1,DSS,methyl carbon,,,,,ppm,0.7,internal,direct,1,,,,,,,,,,111677,19769,1
N,15,DSS,methyl carbon,,,,,ppm,0.7,internal,indirect,0.101329118,,,,,,,,,,111677,19769,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,111690,1977,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111710,19771,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111710,19771,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111710,19771,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,111729,19773,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,111729,19773,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,111729,19773,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,111748,19774,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,111748,19774,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,111748,19774,1
H,1,water,protons,,,,,ppm,4.604,internal,direct,1.000000000,,,,,,,,,,111767,19775,1
H,1,water,protons,,,,,ppm,4.702,internal,direct,1.000000000,,,,,,,,,,111789,19776,1
H,1,water,protons,,,,,ppm,4.6,internal,direct,1.000000000,,,,,,,,,,111812,19777,1
H,1,water,protons,,,,,ppm,4.602,internal,direct,1.000000000,,,,,,,,,,111839,19778,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,111863,19779,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,111863,19779,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,111863,19779,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111879,19782,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111879,19782,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111879,19782,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111901,19783,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111901,19783,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111901,19783,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449853,,,,,,,,,,111923,19784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,111923,19784,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.00,external,direct,0.404808636,,,,,,,,,,111923,19784,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111942,19787,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111942,19787,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111942,19787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,111961,19788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111961,19788,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,111961,19788,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,111984,19789,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,111984,19789,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,111984,19789,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112010,19791,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112010,19791,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112010,19791,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112029,19792,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112029,19792,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112029,19792,1
C,13,TSP-d4,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,112044,19796,1
H,1,TSP-d4,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,112044,19796,1
N,15,TSP-d4,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,112044,19796,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112058,19797,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112058,19797,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112058,19797,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,112074,19798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112074,19798,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,112074,19798,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112090,19799,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112090,19799,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112090,19799,1
C,13,TSP,methyl protons,,,,,ppm,,internal,direct,1,,,,,,,,,,112105,19800,1
H,1,TSP,methyl protons,,,,,ppm,,internal,direct,1,,,,,,,,,,112105,19800,1
N,15,TSP,methyl protons,,,,,ppm,,internal,direct,1,,,,,,,,,,112105,19800,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112124,19801,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112124,19801,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112124,19801,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112142,19803,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112142,19803,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112142,19803,1
C,13,adamantane,methylene carbons,,,,,ppm,40.48,external,direct,1.0,,,,,,,,,,112155,19805,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,39.27,external,direct,1.0,,,,,,,,,,112155,19805,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112176,19806,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112176,19806,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112176,19806,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,112196,19807,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,112196,19807,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,112196,19807,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112216,19808,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112216,19808,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112216,19808,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112234,19809,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112234,19809,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112234,19809,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112251,19810,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,112266,19811,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,112266,19811,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,112266,19811,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,112283,19813,1
C,13,water,protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,112297,19814,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,112297,19814,1
N,15,water,protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,112297,19814,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112311,19815,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112311,19815,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112311,19815,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,112337,19816,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,112337,19816,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,112337,19816,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,112363,19817,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1,,,,,,,,,,114028,19917,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,112363,19817,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,112363,19817,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112380,19818,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112380,19818,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112380,19818,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112400,19819,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112400,19819,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112400,19819,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112417,19821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112417,19821,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112417,19821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112439,19822,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112453,19823,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112453,19823,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112453,19823,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112469,19824,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112469,19824,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,112469,19824,1
C,13,DSS,methyl protons,,,,,ppm,,,,0.251449530,,,,,,,,,,112483,19825,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112483,19825,1
N,15,DSS,methyl protons,,,,,ppm,,,,0.101329118,,,,,,,,,,112483,19825,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,112504,19826,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,112504,19826,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,112504,19826,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,112521,19828,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,112521,19828,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132912,,,,,,,,,,112521,19828,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,112539,19829,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,112539,19829,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132912,,,,,,,,,,112539,19829,1
C,13,water,methyl carbons,,,,,ppm,4.73,internal,indirect,0.2514,,,,,,,,,,112553,19830,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0000,,,,,,,,,,112553,19830,1
N,15,water,nitrogen,,,,,ppm,4.73,internal,indirect,0.101,,,,,,,,,,112553,19830,1
C,13,adamantane,methyl carbon,,,,,ppm,40.48,external,direct,1,,,,,,,,,,112568,19831,1
N,15,ammonium chloride,nitrogen,,,,,ppm,39.27,external,direct,1,,,,,,,,,,112568,19831,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,112586,19832,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,112586,19832,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132918,,,,,,,,,,112586,19832,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,112604,19833,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,112604,19833,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132918,,,,,,,,,,112604,19833,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112621,19834,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112621,19834,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112621,19834,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112648,19835,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112648,19835,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112648,19835,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112676,19836,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112676,19836,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112676,19836,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112704,19837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112704,19837,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112704,19837,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112720,19838,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112720,19838,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112720,19838,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112736,19839,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112736,19839,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112736,19839,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112751,19840,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112751,19840,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112751,19840,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112766,19841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112766,19841,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112766,19841,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112795,19842,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112795,19842,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112795,19842,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,112823,19843,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00,,,,,,,,,,112823,19843,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,112823,19843,1
C,13,glucose,methyl carbon,,,,,ppm,,internal,direct,,,,,,,,,,,112837,19844,1
H,1,na,protons,,,,,ppm,,internal,direct,,,,,,,,,,,112837,19844,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,117880,2052,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,,internal,direct,,,,,,,,,,,112837,19844,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,112853,19845,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,112853,19845,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,112853,19845,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112873,19846,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112873,19846,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112873,19846,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112893,19847,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112893,19847,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112893,19847,1
H,1,HDO,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,112912,19848,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112930,19849,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112930,19849,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112930,19849,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112950,19850,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112950,19850,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112973,19851,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112973,19851,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112973,19851,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,112994,19852,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,112994,19852,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,112994,19852,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,112994,19852,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113011,19853,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113032,19854,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113032,19854,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113032,19854,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,113032,19854,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113055,19855,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113055,19855,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113055,19855,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,113055,19855,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,113078,19856,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.00000000,,,,,,,,,,113078,19856,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113103,19857,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113103,19857,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113103,19857,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,113103,19857,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113127,19858,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113127,19858,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113127,19858,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,113127,19858,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113146,19859,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113146,19859,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113146,19859,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113165,19860,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113165,19860,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113165,19860,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113184,19861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113203,19862,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113223,19863,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113239,19864,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113239,19864,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113239,19864,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113253,19865,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113253,19865,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113253,19865,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,,,,,,,,,,,113268,19866,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,113268,19866,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,,,,,,,,,,,113268,19866,1
C,13,13C Glycine,carbonyl carbon,,,,,ppm,178.4,external,direct,1.0,,,,,,,,,,113288,19867,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,26.8,external,direct,1.0,,,,,,,,,,113288,19867,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113309,19869,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113309,19869,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113309,19869,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,113328,19870,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113328,19870,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113328,19870,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113356,19872,1
H,1,DSS,methyl protons,,,,,ppm,0.8,external,indirect,1,,,,,,,,,,113356,19872,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113356,19872,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,113372,19873,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,113372,19873,1
H,1,acetonitrile,methyl protons,,,,,ppm,1.94,internal,direct,1.00000000,,,,,,,,,,113387,19874,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144954,,,,,,,,,,113402,19875,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,113402,19875,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.10132900,,,,,,,,,,113402,19875,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113435,19876,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113435,19876,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113435,19876,1
H,1,water,protons,,,,,ppm,4.78,na,direct,1.0,,,,,,,,,,113451,19878,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,113466,19879,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,113466,19879,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,113466,19879,1
C,13,DSS,methyl protons,,,,,ppm,-0.14,na,indirect,0.251449530,,,,,,,,,,113491,19880,1
H,1,DSS,methyl protons,,,,,ppm,-0.14,internal,direct,1.000000000,,,,,,,,,,113491,19880,1
N,15,DSS,methyl protons,,,,,ppm,-0.14,na,indirect,0.101329118,,,,,,,,,,113491,19880,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113513,19881,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113513,19881,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113513,19881,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,113533,19882,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,113533,19882,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,113553,19883,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,113553,19883,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113569,19884,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113569,19884,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113569,19884,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113585,19885,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113585,19885,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113585,19885,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,113599,19886,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113614,19887,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,113634,19888,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,113654,19889,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,113672,19890,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,113689,19891,1
H,1,na,protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,113706,19892,1
N,15,na,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,113706,19892,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113726,19893,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113726,19893,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113726,19893,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,113739,199,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113753,19901,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113753,19901,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113753,19901,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,113773,19902,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,113773,19902,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,113773,19902,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113797,19904,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113797,19904,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113797,19904,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,113814,19905,1
H,1,na,protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,113829,19906,1
C,13,na,methyl carbon,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,113829,19906,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,113829,19906,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113846,19907,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113846,19907,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113846,19907,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113864,19908,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113864,19908,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113864,19908,1
H,,H2O/HDO,,,,,,ppm,4.58,,,,,,,1,entry_citation,,,1,entry_citation,113877,1991,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113900,19910,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113900,19910,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113900,19910,1
C,13,water,protons,,,,,ppm,42.810253,internal,indirect,0.934318235962,,,,,,,,,,113918,19911,1
H,1,water,protons,,,,,ppm,4.762285,internal,indirect,0.978027840056,,,,,,,,,,113918,19911,1
N,15,water,protons,,,,,ppm,119.128595,internal,indirect,0.998800000000,,,,,,,,,,113918,19911,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1,,,,,,,,,,113941,19912,1
H,1,water,protons,,,,,ppm,4.916,internal,direct,1,,,,,,,,,,113942,19912,2
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113962,19913,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,113962,19913,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113962,19913,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,113962,19913,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,113979,19914,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.000000000,,,,,,,,,,113979,19914,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,113979,19914,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,113994,19915,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,114011,19916,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114049,19921,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114049,19921,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114049,19921,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,114064,19922,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,114064,19922,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,114064,19922,1
H,1,dioxane,protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,114079,19923,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,114095,19925,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144954,,,,,,,,,,114110,19926,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,114110,19926,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.10132900,,,,,,,,,,114110,19926,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114128,19927,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114128,19927,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114128,19927,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,114128,19927,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,114145,19928,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,114145,19928,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,114145,19928,1
C,13,water,protons,,,,,ppm,42.748563,internal,indirect,0.93566654000,,,,,,,,,,114164,19929,1
H,1,water,protons,,,,,ppm,4.762285,internal,indirect,0.98486041000,,,,,,,,,,114164,19929,1
N,15,water,protons,,,,,ppm,117.102194,internal,indirect,0.99901005633,,,,,,,,,,114164,19929,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114182,19930,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114182,19930,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114199,19931,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000,,,,,,,,,,114199,19931,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114199,19931,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,114219,19932,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,114234,19933,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114254,19934,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114254,19934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114276,19935,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114276,19935,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114297,19936,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114297,19936,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114320,19937,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114320,19937,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114341,19938,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114341,19938,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114341,19938,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,114361,19939,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,114361,19939,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,114361,19939,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114380,19940,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114380,19940,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114380,19940,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114401,19941,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114401,19941,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114401,19941,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,114416,19942,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114430,19943,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114430,19943,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114430,19943,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,114449,19945,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,114449,19945,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,114449,19945,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114465,19946,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114465,19946,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114465,19946,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,114483,19947,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,114483,19947,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,114483,19947,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114500,19948,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114500,19948,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114500,19948,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114520,19949,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114520,19949,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114520,19949,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,114535,1995,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,114535,1995,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,114560,19951,1
H,1,TSP,methylene protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,114560,19951,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,114560,19951,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,117893,2053,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,114579,19952,1
H,1,water,proton,,,,,ppm,4.66,internal,direct,1.0,,,,,,,,,,114579,19952,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,114579,19952,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,114600,19953,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,114600,19953,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,114600,19953,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,114616,19954,1
C,13,water,methyl carbon,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,114616,19954,1
N,15,water,nitrogen,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,114616,19954,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114636,19955,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114636,19955,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114636,19955,1
C,13,water,protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,114656,19957,1
H,1,water,protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114656,19957,1
N,15,water,protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,114656,19957,1
C,13,DSS,methyl carbon,,,,,ppm,0.5,external,indirect,1,,,,,,,,,,114680,19958,1
H,1,water,nitrogen,,,,,ppm,0.5,external,indirect,1,,,,,,,,,,114680,19958,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0.5,external,indirect,1,,,,,,,,,,114680,19958,1
N,15,Dioxane,urea amide,,,,,ppm,77.5,external,indirect,1,,,,,,,,,,114698,19959,1
C,13,TSP,methyl carbons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,114698,19959,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,114698,19959,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,114711,1996,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,114711,1996,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114731,19960,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114731,19960,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114731,19960,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,114754,19961,1
C,13,na,carbon,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,114754,19961,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,114754,19961,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114768,19962,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114768,19962,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114768,19962,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,114786,19963,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,114786,19963,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,114786,19963,1
C,13,dioxane,methylene protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,114809,19966,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,114809,19966,1
N,15,dioxane,methylene protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,114809,19966,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114825,19967,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114825,19967,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114825,19967,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,114825,19967,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,114845,19968,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,114845,19968,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,114845,19968,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,114858,1997,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114877,19970,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114877,19970,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114877,19970,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25146844,,,,,,,,,,114898,19971,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.00000000,,,,,,,,,,114898,19971,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10134016,,,,,,,,,,114898,19971,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114915,19972,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114915,19972,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114915,19972,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114933,19973,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114933,19973,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114933,19973,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114949,19974,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114949,19974,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114949,19974,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,114965,19976,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,114965,19976,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114965,19976,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,114989,19977,1
C,13,dioxane,methylene carbons,,,,,ppm,69.4,external,direct,1.0,,,,,,,,,,114989,19977,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,114989,19977,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115008,19978,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,115027,19979,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,115040,1998,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115059,19980,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115059,19980,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115079,19981,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115079,19981,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115093,19982,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,115093,19982,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115093,19982,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115111,19984,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115111,19984,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.10132900,,,,,,,,,,115111,19984,1
C,13,water,protons,,,,,ppm,4.81,internal,indirect,0.25144953,,,,,,,,,,115132,19985,1
H,1,water,protons,,,,,ppm,4.81,internal,direct,1,,,,,,,,,,115132,19985,1
N,15,water,protons,,,,,ppm,4.81,internal,indirect,0.101329118,,,,,,,,,,115132,19985,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,115152,19986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115152,19986,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115152,19986,1
C,13,water,protons,,,,,ppm,0.251449530,internal,indirect,1,,,,,,,,,,115171,19987,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,115171,19987,1
N,15,water,protons,,,,,ppm,0.101329118,internal,indirect,1,,,,,,,,,,115171,19987,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.2514495,,,,,,,,,,115190,19988,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,115190,19988,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.1013291,,,,,,,,,,115190,19988,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115214,19989,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,115214,19989,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115214,19989,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,115227,1999,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,115243,19990,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,115243,19990,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,115243,19990,1
C,13,acetate,protons,,,,,ppm,4.7,internal,direct,,,,,,,,,,,115260,19991,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,115260,19991,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,,,,,,,,,,,115260,19991,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,115274,19992,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,115274,19992,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,115289,19993,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,115289,19993,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,115289,19993,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115309,19994,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,115309,19994,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115309,19994,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,115323,19995,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,115323,19995,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,115323,19995,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,115339,19996,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115339,19996,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115339,19996,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,115357,19998,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,115357,19998,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,115357,19998,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,115371,19999,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115371,19999,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,115371,19999,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,115384,200,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,115397,2000,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,115413,20001,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1,,,,,,,,,,115436,20002,1
C,13,TSP,methly carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,115452,20003,1
H,1,TSP,methly protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,115452,20003,1
C,13,TSP,methyl carbons,,,,,ppm,0,external,direct,,,,,,,,,,,115470,20004,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,115470,20004,1
C,13,TSP,methyl carbons,,,,,ppm,0,external,direct,,,,,,,,,,,115488,20005,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,115488,20005,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1,,,,,,,,,,115509,20007,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1,,,,,,,,,,115528,20008,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,115549,20009,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,115562,2001,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,115612,20012,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,115629,20013,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,115650,20014,1
H,1,water,protons,,,,,ppm,5.05,internal,indirect,1,,,,,,,,,,115673,20015,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,115690,20016,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,115690,20016,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,115708,20017,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,115708,20017,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,115726,20018,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,115726,20018,1
H,1,water,protons,,,,,ppm,5.05,internal,indirect,1,,,,,,,,,,115750,20019,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,115765,2002,1
H,1,water,protons,,,,,ppm,5.05,internal,indirect,1,,,,,,,,,,115786,20020,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115803,20022,1
H,1,water,protons,,,,,ppm,4.766,internal,indirect,1.0,,,,,,,,,,115829,20023,1
C,13,water,protons,,,,,ppm,4.766,internal,indirect,0.251449453,,,,,,,,,,115829,20023,1
N,15,water,protons,,,,,ppm,4.766,internal,indirect,0.101329118,,,,,,,,,,115829,20023,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,115848,20024,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,115869,20025,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115886,20026,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,115911,20027,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115911,20027,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,115911,20027,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,115929,20028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,115951,20029,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115951,20029,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,115968,2003,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,115988,20030,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,115988,20030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,116012,20031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116012,20031,1
H,1,water,protons,,,,,ppm,4.916,na,direct,1.0,,,,,,,,,,116035,20032,1
N,15,water,protons,,,,,ppm,118.396,na,indirect,0.10134,,,,,,,,,,116035,20032,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,116060,20033,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,116060,20033,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,116060,20033,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,116080,20034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116096,20036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116113,20037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116130,20038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116147,20039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116166,20040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116184,20041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116202,20042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116220,20043,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,116242,20044,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,116242,20044,1
H,1,water,protons,,,,,ppm,4.704,internal,direct,1,,,,,,,,,,116262,20045,1
H,1,water,protons,,,,,ppm,4.704,internal,direct,0,,,,,,,,,,116282,20046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,116303,20047,1
C,13,water,protons,,,,,ppm,5.004,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,116329,20048,1
H,1,water,protons,,,,,ppm,5.004,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,116329,20048,1
N,15,water,protons,,,,,ppm,5.004,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,116329,20048,1
C,13,water,protons,,,,,ppm,5.004,internal,indirect,0.251449530,,,,,,,,,,116356,20049,1
H,1,water,protons,,,,,ppm,5.004,internal,direct,1.000000000,,,,,,,,,,116356,20049,1
N,15,water,protons,,,,,ppm,5.004,internal,indirect,0.101329118,,,,,,,,,,116356,20049,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116376,20050,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116395,20051,1
C,13,DMSO-d6,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,116416,20052,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.50,internal,direct,1.000000000,,,,,,,,,,116416,20052,1
C,13,DMSO-d6,methyl protons,,,,,ppm,2.50,internal,indirect,0.251449530,,,,,,,,,,116435,20053,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.50,internal,direct,1.000,,,,,,,,,,116435,20053,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,116458,20054,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116458,20054,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,116481,20055,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116481,20055,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,116497,20056,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116513,20057,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116529,20058,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116545,20059,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,116560,2006,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116574,20060,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116590,20061,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116606,20062,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,116624,20063,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116640,20064,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116657,20065,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116674,20066,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116690,20067,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116706,20068,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116724,20069,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116742,20070,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116759,20071,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116776,20072,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.495,internal,direct,1.0,,,,,,,,,,116793,20073,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,indirect,1.0,,,,,,,,,,116809,20074,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,116809,20074,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116827,20075,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,116845,20076,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,insert at center of experimental sample tube,cylindrical,perpendicular,,,,,,,116865,20078,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116887,20079,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116907,20080,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,116926,20081,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,116946,20082,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,116946,20082,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,116946,20082,1
C,13,water,protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,116974,20084,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.000000000,,,,,,,,,,116974,20084,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,116994,20085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000,,,,,,,,,,117010,20086,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,117029,20087,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000,,,,,,,,,,117048,20088,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000,,,,,,,,,,117067,20089,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000,,,,,,,,,,117084,20090,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000,,,,,,,,,,117101,20091,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.00000,,,,,,,,,,117120,20092,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000,,,,,,,,,,117137,20093,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,117155,20094,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,117172,20095,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,117189,20098,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117206,20101,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117224,20102,1
H,1,TSP,protons,,,,,ppm,0.00,internal,direct,1.00,,,,,,,,,,117243,20103,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117263,20104,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.49,internal,direct,1.000000000,,,,,,,,,,117280,20105,1
H,1,water,protons,,,,,ppm,4.95,internal,direct,1.0,,,,,,,,,,117300,20107,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,117318,20108,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,117334,20109,1
C,13,water,protons,,,,,ppm,4.964,external,indirect,0.251449530,,,,,,,,,,117353,20110,1
H,1,water,protons,,,,,ppm,4.964,internal,direct,1.0,,,,,,,,,,117353,20110,1
N,15,water,protons,,,,,ppm,4.78,external,indirect,0.101329118,,,,,,,,,,117353,20110,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,117373,20111,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117391,20112,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,117413,20113,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117413,20113,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,117414,20113,2
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117414,20113,2
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,117431,20114,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117447,20115,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117463,20116,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117480,20117,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117497,20118,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117513,20119,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117529,2012,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,117544,20121,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117563,20122,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,117580,20123,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117580,20123,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,117597,20124,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,117613,20125,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,117633,20126,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,117633,20126,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,117633,20126,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000,,,,,,,,,,117649,20127,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,117670,20128,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117683,2013,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117696,2014,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117709,2024,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117722,2030,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117735,2031,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117735,2031,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,117748,2038,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117761,2039,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117774,2040,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117787,2042,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117800,2043,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117814,2047,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117828,2048,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117841,2049,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117854,2050,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,117867,2051,1
H,,TMS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,117907,2059,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117920,2060,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117920,2060,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,117933,2061,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,117948,2062,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,117961,2063,1
H,,water,,,,,,,4.68,,,,,,,,,,,,,117974,2065,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,117987,2066,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,118000,2067,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,118039,2070,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,118052,2071,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,118065,2074,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,,,,,,,118078,2075,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,118091,2076,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,118104,2077,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,118117,2078,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,118130,21,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118144,21000,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,118167,21001,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,118182,21002,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,118201,21006,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,118221,21007,1
H,1,DSS,methylene protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,118237,21008,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118256,21009,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118256,21009,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118275,21010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118275,21010,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,118292,21011,1
H,1,DSS,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,118306,21013,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118324,21014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118341,21015,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,118360,21018,1
H,1,water,protons,,,,,ppm,,internal,direct,1.0,,,,,,,,,,118374,21019,1
H,1,DMSO,methyl protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,118388,21022,1
H,1,DMSO,methyl protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,118402,21023,1
H,1,DMSO,methyl protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,118418,21024,1
H,1,DMSO,methyl protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,118432,21025,1
H,1,DMSO,methyl protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,118446,21026,1
H,1,DMSO,methyl protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,118464,21027,1
H,1,DMSO,methyl protons,,,,,ppm,2.50,internal,direct,1,,,,,,,,,,118482,21028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118504,21031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,118504,21031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118527,21032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,118527,21032,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118551,21033,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,118551,21033,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118575,21034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,118575,21034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118591,21035,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118606,21036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118622,21037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118638,21038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118653,21039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118668,21040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118684,21041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118700,21042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118715,21045,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118730,21046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118745,21047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118766,21053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,118766,21053,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118787,21054,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,118787,21054,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118805,21056,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,118821,21057,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118836,21058,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118851,21059,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118868,21062,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118886,21064,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118886,21064,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118904,21065,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118904,21065,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120943,2434,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118922,21066,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118922,21066,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118940,21067,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118940,21067,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118958,21068,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118958,21068,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,118976,21069,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,118976,21069,1
C,13,TMS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,118995,21070,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,118995,21070,1
C,13,TMS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,119014,21071,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,119014,21071,1
C,13,TMS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,119033,21072,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,119033,21072,1
C,13,TMS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,119052,21073,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,119052,21073,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,119073,21074,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,119095,21075,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,119117,21076,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,119139,21077,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,119161,21078,1
C,13,water,protons,,,,,ppm,4.77,na,indirect,0.251449530,,,,,,,,,,119177,21079,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,119177,21079,1
C,13,dioxane,methylene carbons,,,,,ppm,69.3,internal,direct,0.251449530,,,,,,,,,,119195,21082,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.0,,,,,,,,,,119195,21082,1
N,15,Nitromethane,nitrogen,,,,,ppm,0.0,external,direct,0.101329118,,,,,,,,,,119195,21082,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,119211,21084,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,119211,21084,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,119227,21085,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,119227,21085,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,119243,21086,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,119243,21086,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,119256,2113,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,119269,2114,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,119282,2115,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,119295,2116,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,119308,2117,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119322,2118,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119335,2151,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119350,216,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,119376,2169,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119391,217,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119404,2173,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119419,218,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119434,219,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119447,2192,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119460,2193,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119473,2196,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119486,2197,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,119499,2198,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119515,2199,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119530,220,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119544,2200,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119557,2201,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119572,2202,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119587,2203,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119600,2204,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119613,2205,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,119626,2206,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,119639,2207,1
C,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,119652,2208,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,119652,2208,1
N,,NH4[15]NO3,,,,,,,376.25,,,,,,,1,entry_citation,,,1,entry_citation,119652,2208,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119665,2209,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119680,221,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119693,2217,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119707,2218,1
H,,H2O/HDO,,,,,,ppm,4.79,,,,,,,1,entry_citation,,,1,entry_citation,119720,2219,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119735,222,1
H,,H2O/HDO,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119748,2220,1
H,,H2O/HDO,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119761,2221,1
H,,H2O/HDO,,,,,,ppm,5.02,,,,,,,1,entry_citation,,,1,entry_citation,119774,2222,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119788,2223,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119801,2224,1
H,,H2O/HDO,,,,,,ppm,4.71,,,,,,,,,,,,,119814,2225,1
H,,H2O/HDO,,,,,,ppm,4.71,,,,,,,,,,,,,119827,2226,1
H,,H2O/HDO,,,,,,ppm,4.71,,,,,,,1,entry_citation,,,1,entry_citation,119840,2227,1
H,,H2O/HDO,,,,,,ppm,4.71,,,,,,,,,,,,,119853,2228,1
C,,p-dioxane,,,,,,ppm,67.8,,,,,,,1,entry_citation,,,1,entry_citation,119866,2229,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119881,223,1
C,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,119894,2231,1
C,,p-dioxane,,,,,,ppm,3.74,,,,,,,,,,,,,119907,2232,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,119920,2233,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,119933,2234,1
C,,suberic acid bis(N-hydroxy-succinimide ester),CH3,,,,,ppm,0,,,,,,,,,,,,,119946,2235,1
C,,suberic acid bis(N-hydroxy-succinimide ester),CH3,,,,,ppm,0,,,,,,,,,,,,,119959,2236,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,119974,224,1
H,,HOD,,,,,,ppm,4.56,,,,,,,,,,,,,119987,2247,1
N,,[15N]NH4Cl,,,,,,ppm,25.2,,,,,,,,,,,,,119987,2247,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120000,2249,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120015,225,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120030,226,1
H,1,dioxane,methylene,,,,,ppm,3.766,internal,direct,,,,,1,entry_citation,,,1,entry_citation,120043,2261,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,120056,2262,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120069,2263,1
C,,p-dioxane,,,,,,ppm,67.37,,,,,,,1,entry_citation,,,1,entry_citation,120092,2266,1
C,,p-dioxane,,,,,,ppm,67.37,,,,,,,1,entry_citation,,,1,entry_citation,120106,2267,1
C,,p-dioxane,,,,,,ppm,67.37,,,,,,,1,entry_citation,,,1,entry_citation,120120,2268,1
C,,p-dioxane,,,,,,ppm,67.37,,,,,,,1,entry_citation,,,1,entry_citation,120134,2269,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120149,227,1
C,,p-dioxane,,,,,,ppm,67.37,,,,,,,1,entry_citation,,,1,entry_citation,120163,2270,1
C,,p-dioxane,,,,,,ppm,67.37,,,,,,,1,entry_citation,,,1,entry_citation,120177,2271,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,120189,2272,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120202,2274,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120215,2275,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,120231,2276,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,120246,2277,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,120246,2277,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,120246,2277,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120259,2278,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120277,2279,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120290,228,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,120303,2281,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120317,2282,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120330,2283,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120343,2284,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,120356,2285,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,120369,2288,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120385,229,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120398,23,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120412,2324,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120426,2325,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120440,2326,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120453,2327,1
H,,H2O/HDO,,,,,,ppm,4.96,,,,,,,1,entry_citation,,,1,entry_citation,120468,2328,1
H,,H2O/HDO,,,,,,ppm,4.96,,,,,,,1,entry_citation,,,1,entry_citation,120481,2329,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120496,233,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120509,2331,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,120522,2338,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120537,234,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120550,2345,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120563,2346,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120576,2347,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120589,2348,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120605,235,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,120618,2352,1
N,,[15N]CH3NO2,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120631,2353,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120644,236,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120660,2366,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120676,2367,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120690,2368,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120703,237,1
C,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,120716,2371,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,120716,2371,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,120716,2371,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120729,238,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,120742,2384,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120755,239,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,120768,2395,1
H,,HOD,,,,,,ppm,4.8,,,,,,,1,entry_citation,,,1,entry_citation,120781,2396,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120796,24,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,120809,240,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,120822,241,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,120839,2410,1
H,1,H2O,protons,,,,,ppm,4.73,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,120839,2410,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,120839,2410,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120852,242,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120865,2425,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120878,2426,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120891,243,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120904,2431,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120917,2432,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120930,2433,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120955,2435,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120967,2436,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,120979,2437,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,120992,2438,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,121005,2439,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121018,244,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,121031,2440,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,,,,,,,121044,2442,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,,,,,,,121057,2443,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121070,2446,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121084,245,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121096,2454,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,121109,2455,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,121122,2457,1
C,,p-dioxane,,,,,,ppm,67.8,,,,,,,1,entry_citation,,,1,entry_citation,121146,2463,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121146,2463,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,121159,247,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121172,2472,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121185,2473,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121198,2474,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121211,2475,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121224,2476,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121237,248,1
H,,HOD,,,,,,ppm,4.63,,,,,,,1,entry_citation,,,1,entry_citation,121250,2488,1
H,,HOD,,,,,,ppm,4.63,,,,,,,1,entry_citation,,,1,entry_citation,121263,2489,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121277,249,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121290,2498,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,121303,25,1
H,,H2O/HDO,,,,,,ppm,5,,,,,,,1,entry_citation,,,1,entry_citation,121317,250,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121338,25000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121338,25000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121338,25000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121355,25001,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121355,25001,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.000000000,,,,,,,,,,121355,25001,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121374,25002,1
C,13,DSS,methyl protons,,,,,ppm,2.6,,indirect,0.251449530,,,,,,,,,,121374,25002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,121374,25002,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121390,25003,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121390,25003,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121390,25003,1
C,13,Alanine,carbonyl carbon,,,,,ppm,177.95,external,direct,1,,,,,,,,,,121405,25004,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,121430,25005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,121430,25005,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,121447,25007,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144954,,,,,,,,,,121447,25007,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132916,,,,,,,,,,121447,25007,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,121463,25008,1
C,13,glucose,methyl carbon,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,121463,25008,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,121463,25008,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121477,25009,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,121494,25010,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144954,,,,,,,,,,121494,25010,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132916,,,,,,,,,,121494,25010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121508,25011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121522,25012,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,121582,25016,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,121582,25016,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121609,25018,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121609,25018,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121609,25018,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121629,25019,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121629,25019,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121629,25019,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121644,25020,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121644,25020,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121644,25020,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121659,25021,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121659,25021,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121659,25021,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121679,25022,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121679,25022,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121679,25022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121693,25023,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121693,25023,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,121707,25024,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,121707,25024,1
N,15,TMS,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,121707,25024,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.2514,,,,,,,,,,121724,25025,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,121724,25025,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1013,,,,,,,,,,121724,25025,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121752,25026,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121752,25026,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121752,25026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121770,25027,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121770,25027,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121770,25027,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121788,25028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121788,25028,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121788,25028,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121802,25029,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121802,25029,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121802,25029,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,121820,25030,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,121820,25030,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,121836,25031,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,121836,25031,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,121836,25031,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,121850,25032,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,,,,,,,,,,121850,25032,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,0.101329118,,,,,,,,,,121850,25032,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,121869,25033,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,121869,25033,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,121869,25033,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121890,25034,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121890,25034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121917,25035,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121917,25035,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121917,25035,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121938,25036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121938,25036,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121938,25036,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121958,25037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121958,25037,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121958,25037,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121978,25038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121978,25038,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121978,25038,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,121998,25039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,121998,25039,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,121998,25039,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122018,25040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122018,25040,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122018,25040,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122040,25041,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122040,25041,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122040,25041,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122063,25042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122063,25042,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122063,25042,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122086,25043,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122086,25043,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122086,25043,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.25,,,,,,,,,,122103,25044,1
H,1,DSS,protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,122103,25044,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,0.1,,,,,,,,,,122103,25044,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,122119,25046,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,122119,25046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122138,25047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122138,25047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122138,25047,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122159,25048,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122159,25048,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122159,25048,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,122159,25048,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122173,25049,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122173,25049,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122173,25049,1
H,1,water,methyl protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,122192,25050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,122192,25050,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122210,25052,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122229,25059,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122229,25059,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122229,25059,1
H,,"[15N, 15N]NH4NO3",NH4,,,,,ppm,20.68,,,,,,,1,entry_citation,,,1,entry_citation,122242,2506,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122260,25060,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122260,25060,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122260,25060,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122285,25061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122285,25061,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122285,25061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122311,25062,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122311,25062,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122311,25062,1
H,1,HDO,H,,,,,ppm,4.615,internal,direct,1,,,,,,,,,,122335,25063,1
C,13,HDO,H,,,,,ppm,4.615,internal,indirect,0.25144953,,,,,,,,,,122335,25063,1
N,15,HDO,H,,,,,ppm,4.615,internal,indirect,0.101329118,,,,,,,,,,122335,25063,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122357,25064,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122357,25064,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122357,25064,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122385,25065,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122385,25065,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122385,25065,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122405,25066,1
N,15,TMS,nitrogen,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,122405,25066,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122430,25067,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122430,25067,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122430,25067,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122448,25068,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122448,25068,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122448,25068,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122464,25069,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122464,25069,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122464,25069,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122487,25070,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122487,25070,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122487,25070,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122508,25071,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122508,25071,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122508,25071,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122526,25072,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122526,25072,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122526,25072,1
C,13,adamantane,methyl carbons,,,,,ppm,38.48,external,direct,0.25144953,,,,,,,,,,122540,25076,1
N,15,adamantane,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,122540,25076,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,122558,25077,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,122558,25077,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,122558,25077,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122559,25077,2
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,122559,25077,2
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122575,25078,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122575,25078,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122575,25078,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,122594,25079,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,122594,25079,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,122594,25079,1
H,1,HDO,H,,,,,ppm,4.615,internal,indirect,1,,,,,,,,,,122616,25080,1
C,13,HDO,H,,,,,ppm,4.615,internal,indirect,0.25144953,,,,,,,,,,122616,25080,1
N,15,HDO,H,,,,,ppm,4.615,internal,indirect,0.101329118,,,,,,,,,,122616,25080,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122635,25081,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122635,25081,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122635,25081,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122655,25082,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122673,25083,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122673,25083,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122673,25083,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,122687,25084,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,122687,25084,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,122687,25084,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122704,25085,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122704,25085,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122704,25085,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122722,25086,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122722,25086,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122722,25086,1
N,15,DSS,methyl protons,,,,,ppm,0.07,external,indirect,0.101329118,,,,,,,,,,122742,25087,1
H,1,DSS,methyl protons,,,,,ppm,0.05,external,direct,1.000000000,,,,,,,,,,122742,25087,1
C,13,DSS,methyl protons,,,,,ppm,2.70,external,indirect,0.251449530,,,,,,,,,,122742,25087,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,122762,25088,1
N,15,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.1013291444,,,,,,,,,,122762,25088,1
C,13,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.251450002,,,,,,,,,,122762,25088,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122779,25092,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122779,25092,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122796,25093,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122796,25093,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122796,25093,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122811,25094,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122811,25094,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122829,25096,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122850,25098,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122850,25098,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122850,25098,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,122864,25099,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122883,25100,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122883,25100,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122910,25101,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122910,25101,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,122931,25102,1
N,15,water,protons,,,,,ppm,4.70,internal,indirect,0.101329118,,,,,,,,,,122931,25102,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,122946,25104,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,122946,25104,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,122946,25104,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,122946,25104,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,122961,25106,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,122978,25107,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,122995,25108,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,122995,25108,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,122995,25108,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,123017,25109,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,123017,25109,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,123017,25109,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123037,25110,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123052,25112,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123052,25112,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123052,25112,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,123052,25112,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144920,,,,,,,,,,123074,25114,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,123074,25114,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144920,,,,,,,,,,123096,25115,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,123096,25115,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144920,,,,,,,,,,123121,25116,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,123121,25116,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123135,25118,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123135,25118,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123135,25118,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123150,25119,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123150,25119,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123150,25119,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,,,,,,,123163,2512,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123178,25120,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123178,25120,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123178,25120,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,123195,25121,1
N,15,na,nitrogen,,,,,ppm,0,internal,indirect,0.1013,,,,,,,,,,123195,25121,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123218,25122,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123218,25122,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,123236,25123,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,123236,25123,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1013632982,,,,,,,,,,123236,25123,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123255,25124,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123255,25124,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123255,25124,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123273,25125,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123273,25125,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123273,25125,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,123294,25127,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,123294,25127,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,123294,25127,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1,,,,,,,,,,123308,25128,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1,,,,,,,,,,123323,25129,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,,,,,,,123336,2513,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123354,25130,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123354,25130,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123354,25130,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123368,25131,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123388,25132,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123388,25132,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123388,25132,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123404,25134,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123404,25134,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123404,25134,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123422,25135,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123422,25135,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123422,25135,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123439,25136,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123439,25136,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123439,25136,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123461,25137,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123461,25137,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123461,25137,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123480,25138,1
H,1,water,protons,,,,,ppm,4.705,internal,direct,1.000000000,,,,,,,,,,123480,25138,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123480,25138,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123501,25139,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123501,25139,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123501,25139,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123519,25140,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123519,25140,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123519,25140,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,123519,25140,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123537,25141,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123537,25141,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123537,25141,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,123552,25142,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,123552,25142,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,123552,25142,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123574,25143,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123574,25143,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123574,25143,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123597,25145,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123597,25145,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123597,25145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123618,25146,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123618,25146,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123634,25147,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123634,25147,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123634,25147,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,123652,25148,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,123652,25148,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,123652,25148,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123669,25149,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123669,25149,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123669,25149,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123684,25150,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123684,25150,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123684,25150,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,123702,25151,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,123702,25151,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,123702,25151,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123717,25152,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123736,25153,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123736,25153,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123736,25153,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123753,25154,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123753,25154,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123753,25154,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123770,25155,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123770,25155,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123770,25155,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123788,25156,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123788,25156,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123788,25156,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123806,25157,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123806,25157,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123806,25157,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123825,25158,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123825,25158,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123825,25158,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,123845,25159,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144952,,,,,,,,,,123845,25159,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.10132905,,,,,,,,,,123845,25159,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0000,,,,,,,,,,123864,25160,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144952,,,,,,,,,,123864,25160,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.10132905,,,,,,,,,,123864,25160,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123882,25161,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123900,25162,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123921,25163,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123921,25163,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123921,25163,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123946,25164,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123946,25164,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123946,25164,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,123974,25165,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,123974,25165,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,123974,25165,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,123998,25166,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,123998,25166,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,123998,25166,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124016,25167,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124016,25167,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124016,25167,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,124035,25168,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.000000000,,,,,,,,,,124035,25168,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,124035,25168,1
C,13,na,methyl carbons,,,,,ppm,0,na,indirect,1,,,,,,,,,,124059,25169,1
H,1,water,protons,,,,,ppm,4.695,na,indirect,1,,,,,,,,,,124059,25169,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,124059,25169,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,124076,25171,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124106,25172,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124106,25172,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124106,25172,1
C,13,water,protons,,,,,ppm,4.73,internal,direct,0.2514,,,,,,,,,,124120,25173,1
H,1,water,protons,,,,,ppm,4.73,internal,indirect,1.00,,,,,,,,,,124120,25173,1
N,15,water,protons,,,,,ppm,4.73,internal,direct,0.101,,,,,,,,,,124120,25173,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.251449530,,,,,,,,,,124136,25174,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.000000000,,,,,,,,,,124136,25174,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,internal,indirect,0.10132918,,,,,,,,,,124136,25174,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124157,25175,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124157,25175,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124157,25175,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,124175,25176,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,124175,25176,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,124175,25176,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124194,25177,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124194,25177,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124194,25177,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,124211,25178,1
C,13,adamantane,methyl carbon,,,,,ppm,38.48,external,direct,1.0,,,,,,,,,,124211,25178,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,26.8,external,direct,1.0,,,,,,,,,,124211,25178,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124232,25179,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124232,25179,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124232,25179,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124253,25180,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124253,25180,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124253,25180,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,124271,25181,1
N,15,water,nitrogen,,,,,ppm,125,internal,indirect,1.0,,,,,,,,,,124271,25181,1
C,13,water,methyl carbon,,,,,ppm,150,internal,indirect,1.0,,,,,,,,,,124271,25181,1
C,13,water,protons,,,,,ppm,,internal,indirect,0.251449530,,,,,,,,,,124288,25182,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,124288,25182,1
N,15,water,protons,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,124288,25182,1
C,13,water,protons,,,,,ppm,,internal,indirect,0.251449530,,,,,,,,,,124305,25183,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,124305,25183,1
N,15,water,protons,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,124305,25183,1
C,13,water,protons,,,,,ppm,,internal,indirect,0.251449530,,,,,,,,,,124322,25184,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,124322,25184,1
N,15,water,protons,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,124322,25184,1
C,13,water,protons,,,,,ppm,,internal,indirect,0.251449530,,,,,,,,,,124339,25185,1
H,1,water,protons,,,,,ppm,,internal,direct,1.000000000,,,,,,,,,,124339,25185,1
N,15,water,protons,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,124339,25185,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.251449530,,,,,,,,,,124355,25186,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,124355,25186,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.10132918,,,,,,,,,,124355,25186,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.251449530,,,,,,,,,,124372,25187,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,124372,25187,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.10132918,,,,,,,,,,124372,25187,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124397,25188,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124397,25188,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124397,25188,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124412,25189,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124412,25189,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124412,25189,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124412,25189,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124427,25190,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124427,25190,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124427,25190,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124427,25190,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124441,25191,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124441,25191,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124441,25191,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124441,25191,1
C,13,water,Ca,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,124464,25192,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,124464,25192,1
N,15,water,nitrogen,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,124464,25192,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124492,25193,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124492,25193,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124492,25193,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124513,25194,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124513,25194,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124513,25194,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124533,25195,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124533,25195,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124533,25195,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124551,25196,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124551,25196,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124551,25196,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25,,,,,,,,,,124568,25197,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124568,25197,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.10,,,,,,,,,,124568,25197,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124584,25199,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124584,25199,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124584,25199,1
H,,H2O/HDO,,,,,,ppm,4.73,,,,,,,1,entry_citation,,,1,entry_citation,124597,252,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124611,25200,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124611,25200,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124611,25200,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124611,25200,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124625,25201,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124625,25201,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124625,25201,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124625,25201,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124639,25202,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124639,25202,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124639,25202,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124639,25202,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124653,25203,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124667,25204,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124667,25204,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124667,25204,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124667,25204,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,124686,25205,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,124686,25205,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,124686,25205,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124700,25206,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124700,25206,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124700,25206,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124700,25206,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124714,25207,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124714,25207,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124714,25207,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124714,25207,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124733,25208,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124733,25208,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124733,25208,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124748,25209,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,124766,25210,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449519,,,,,,,,,,124766,25210,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124780,25211,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124780,25211,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124780,25211,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124780,25211,1
H,1,TSP-d4,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,124798,25212,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,124816,25213,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449519,,,,,,,,,,124816,25213,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,124834,25214,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449519,,,,,,,,,,124834,25214,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124848,25215,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124848,25215,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124848,25215,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,124848,25215,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,124863,25217,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,124863,25217,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10132911,,,,,,,,,,124863,25217,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124877,25218,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124877,25218,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124877,25218,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124896,25219,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124896,25219,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124896,25219,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,direct,1.0,,,,,,,,,,124915,25220,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,124915,25220,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0,external,direct,1.0,,,,,,,,,,124915,25220,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124937,25221,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124937,25221,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124937,25221,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,124953,25222,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,124953,25222,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,124974,25223,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,124974,25223,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,124974,25223,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,124990,25224,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,124990,25224,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,124990,25224,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,125009,25225,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125009,25225,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,125009,25225,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,125028,25226,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125028,25226,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,125028,25226,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125048,25227,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125048,25227,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125048,25227,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125068,25228,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125068,25228,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125068,25228,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125092,25229,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125092,25229,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125092,25229,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125121,25230,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125121,25230,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125121,25230,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125135,25231,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125135,25231,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125135,25231,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125159,25232,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125159,25232,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125159,25232,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125176,25233,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125194,25234,1
C,13,DSS,methyl protons,,,,,ppm,2.60,,indirect,0.251449530,,,,,,,,,,125214,25235,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125214,25235,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,125214,25235,1
F,19,Teflon,Fluorine,,,,,ppm,-122,external,direct,0.940867,,,,,,,,,,125230,25236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125230,25236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125257,25237,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125257,25237,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125257,25237,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125277,25238,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125277,25238,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125292,25239,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125292,25239,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125292,25239,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125312,25240,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125312,25240,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125312,25240,1
C,13,DSS,methyl protons,,,,,ppm,2.60,,indirect,0.251449530,,,,,,,,,,125331,25241,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125331,25241,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,125331,25241,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125351,25242,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125351,25242,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125351,25242,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125369,25243,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125369,25243,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125369,25243,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125385,25244,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125385,25244,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125385,25244,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,125401,25247,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,125401,25247,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,125401,25247,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125421,25248,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125421,25248,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125421,25248,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,125421,25248,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125441,25249,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125441,25249,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125441,25249,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,125441,25249,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125463,25250,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125463,25250,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125463,25250,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125484,25251,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125484,25251,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125484,25251,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125499,25253,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125499,25253,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,125516,25254,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125531,25257,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125531,25257,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125549,25259,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125549,25259,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125549,25259,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125567,25260,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125567,25260,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125567,25260,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125585,25261,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125585,25261,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125585,25261,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,125602,25263,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,125602,25263,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,125602,25263,1
H,1,water,protons,,,,,ppm,,internal,direct,1.0,,,,,,,,,,125620,25264,1
C,13,glucose,methyl carbon,,,,,ppm,,internal,direct,1.0,,,,,,,,,,125620,25264,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,,internal,direct,1.0,,,,,,,,,,125620,25264,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125636,25265,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125636,25265,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125636,25265,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125654,25266,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125654,25266,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125654,25266,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125668,25267,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125668,25267,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125668,25267,1
H,1,water,protons,,,,,ppm,4.756,internal,direct,1,,,,,,,,,,125686,25268,1
C,13,water,protons,,,,,ppm,4.756,na,indirect,1,,,,,,,,,,125686,25268,1
N,15,water,protons,,,,,ppm,4.756,na,indirect,1,,,,,,,,,,125686,25268,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125706,25269,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125706,25269,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125706,25269,1
H,,H2O/HDO,,,,,,ppm,4.71,,,,,,,1,entry_citation,,,1,entry_citation,125719,2527,1
H,1,water,protons,,,,,ppm,4.765,internal,direct,1,,,,,,,,,,125737,25270,1
C,13,water,protons,,,,,ppm,4.765,internal,indirect,1,,,,,,,,,,125737,25270,1
N,15,water,protons,,,,,ppm,4.765,internal,indirect,1,,,,,,,,,,125737,25270,1
P,31,water,protons,,,,,ppm,4.765,internal,indirect,1,,,,,,,,,,125737,25270,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,125754,25271,1
H,1,water,protons,,,,,ppm,4.755,internal,indirect,1,,,,,,,,,,125754,25271,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,125754,25271,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,125768,25272,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,125768,25272,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.0986883158,,,,,,,,,,125768,25272,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,125783,25273,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,125783,25273,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,125783,25273,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,125797,25274,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,125797,25274,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,125797,25274,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125816,25275,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125816,25275,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125816,25275,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125835,25276,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125835,25276,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125835,25276,1
C,13,DSS,methyl protons,,,,,ppm,2.60,na,indirect,0.251449530,,,,,,,,,,125854,25277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125854,25277,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125854,25277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125870,25278,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125870,25278,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125870,25278,1
C,,TSP,,,,,,ppm,0,,,,,,,,,,,,,125883,2528,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,125883,2528,1
N,,"[15N, 15N]NH4NO3",NH4,,,,,ppm,21.8,,,,,,,,,,,,,125883,2528,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125904,25280,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125904,25280,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125904,25280,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125924,25281,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125924,25281,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125924,25281,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,125942,25282,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125942,25282,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,125942,25282,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,125959,25283,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,125980,25284,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,125980,25284,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,125980,25284,1
C,13,water,protons,,,,,ppm,4.754,internal,indirect,0.25144952,,,,,,,,,,125999,25285,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1,,,,,,,,,,125999,25285,1
N,15,water,protons,,,,,ppm,4.754,internal,indirect,0.10132905,,,,,,,,,,125999,25285,1
C,13,water,protons,,,,,ppm,4.754,internal,indirect,0.25144952,,,,,,,,,,126016,25286,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1,,,,,,,,,,126016,25286,1
N,15,water,protons,,,,,ppm,4.754,internal,indirect,0.10132905,,,,,,,,,,126016,25286,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.251449530,,,,,,,,,,126037,25287,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,126037,25287,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,126037,25287,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126061,25288,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126061,25288,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126061,25288,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126081,25289,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126081,25289,1
C,,TSP,,,,,,ppm,0,,,,,,,,,,,,,126096,2529,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,126096,2529,1
N,,"[15N, 15N]NH4NO3",NH4,,,,,ppm,21.8,,,,,,,,,,,,,126096,2529,1
C,13,adamantane,methyl carbon,,,,,ppm,40.48,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,126113,25290,1
N,15,adamantane,methyl carbon,,,,,ppm,40.48,external,indirect,0.402979946,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,126113,25290,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,126131,25291,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,126131,25291,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,126131,25291,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,126147,25292,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,126147,25292,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,126147,25292,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,126163,25293,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126163,25293,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,126163,25293,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126183,25294,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126183,25294,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126183,25294,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126201,25295,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126201,25295,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126201,25295,1
H,1,DSS,amide protons,,,,,ppm,0,external,direct,1,,,,,,,,,,126227,25296,1
N,15,DSS,amide nitrogens,,,,,ppm,0,external,indirect,0.1013,,,,,,,,,,126227,25296,1
C,13,methanol,methyl carbon,,,,,ppm,47.8,internal,indirect,0.251449530,,,,,,,,,,126246,25297,1
H,1,methanol,methyl protons,,,,,ppm,3.30,internal,direct,1,,,,,,,,,,126246,25297,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126270,25298,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126270,25298,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126270,25298,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126284,25299,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126284,25299,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126284,25299,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,126297,253,1
C,13,methanol,methyl carbon,,,,,ppm,49.00,internal,direct,1,,,,,,,,,,126313,25300,1
H,1,methanol,methyl protons,,,,,ppm,3.31,internal,direct,1,,,,,,,,,,126313,25300,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126327,25301,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126327,25301,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126327,25301,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,126351,25302,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,126351,25302,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,126351,25302,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126365,25303,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126365,25303,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126365,25303,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126379,25304,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126379,25304,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126379,25304,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126393,25305,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126393,25305,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126393,25305,1
C,13,water,protons,,,,,ppm,4.772,internal,indirect,0.25144953,,,,,,,,,,126414,25306,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1.0,,,,,,,,,,126414,25306,1
N,15,water,protons,,,,,ppm,4.772,internal,indirect,0.101329118,,,,,,,,,,126414,25306,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126434,25307,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126434,25307,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126448,25308,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126448,25308,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126448,25308,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126465,25309,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126482,25310,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126499,25311,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.000000000,,,,,,,,,,126526,25312,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,126526,25312,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126554,25313,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126571,25314,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126588,25315,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126606,25316,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126606,25316,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126606,25316,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126625,25317,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126625,25317,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126625,25317,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126644,25318,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126644,25318,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126644,25318,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126663,25319,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126663,25319,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126663,25319,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126682,25320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126682,25320,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126682,25320,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126701,25321,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126701,25321,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126701,25321,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126720,25322,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126720,25322,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126720,25322,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,126739,25323,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,129267,2547,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,126739,25323,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126739,25323,1
C,13,water,protons,,,,,ppm,4.772,internal,indirect,0.25144953,,,,,,,,,,126761,25324,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1.0,,,,,,,,,,126761,25324,1
N,15,water,protons,,,,,ppm,4.772,internal,indirect,0.101329118,,,,,,,,,,126761,25324,1
H,1,DMSO,methyl protons,,,,,ppm,2.500,external,direct,1.0,,,,,,,,,,126775,25325,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126794,25326,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126794,25326,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126794,25326,1
H,1,water,protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126814,25327,1
C,13,acetate,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,126814,25327,1
N,15,urea,nitrogen,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,126814,25327,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126830,25328,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126830,25328,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126830,25328,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126845,25329,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126845,25329,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126845,25329,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,126862,25330,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,126862,25330,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,126862,25330,1
H,1,TSP,methyl protons,,,,,ppm,-0.015,external,direct,1.0,insert at center of experimental sample tube,,,,,,,,,126882,25331,1
H,1,TSP,methyl protons,,,,,ppm,-0.015,external,direct,1.0,insert at center of experimental sample tube,,,,,,,,,126902,25332,1
C,13,TSP,protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,126917,25333,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1,,,,,,,,,,126917,25333,1
N,15,TSP,protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,126917,25333,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,126933,25334,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,126933,25334,1
H,1,TSP-d4,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,126947,25335,1
C,13,water,protons,,,,,ppm,4.916,internal,indirect,0.25143,,,,,,,,,,126964,25336,1
H,1,water,protons,,,,,ppm,4.916,internal,direct,1,,,,,,,,,,126964,25336,1
N,15,water,protons,,,,,ppm,4.916,internal,indirect,0.10136,,,,,,,,,,126964,25336,1
C,13,water,protons,,,,,ppm,4.916,internal,indirect,0.25143,,,,,,,,,,126985,25337,1
H,1,water,protons,,,,,ppm,4.916,internal,direct,1,,,,,,,,,,126985,25337,1
N,15,water,protons,,,,,ppm,4.916,internal,indirect,0.10136,,,,,,,,,,126985,25337,1
C,13,water,protons,,,,,ppm,4.916,internal,indirect,0.25143,,,,,,,,,,127005,25338,1
H,1,water,protons,,,,,ppm,4.916,internal,direct,1,,,,,,,,,,127005,25338,1
N,15,water,protons,,,,,ppm,4.916,internal,indirect,0.10136,,,,,,,,,,127005,25338,1
H,1,water,protons,,,,,ppm,4.916,internal,direct,1,,,,,,,,,,127024,25339,1
N,15,water,protons,,,,,ppm,4.916,external,indirect,0.10136,,,,,,,,,,127024,25339,1
C,13,water,protons,,,,,ppm,4.916,internal,indirect,0.25143,,,,,,,,,,127042,25340,1
H,1,water,protons,,,,,ppm,4.916,internal,direct,1,,,,,,,,,,127042,25340,1
N,15,water,protons,,,,,ppm,4.916,internal,indirect,0.10136,,,,,,,,,,127042,25340,1
C,13,water,protons,,,,,ppm,4.916,internal,indirect,0.25143,,,,,,,,,,127060,25341,1
H,1,water,protons,,,,,ppm,4.916,internal,direct,1,,,,,,,,,,127060,25341,1
N,15,water,protons,,,,,ppm,4.916,internal,indirect,0.10136,,,,,,,,,,127060,25341,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127087,25342,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127087,25342,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127087,25342,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127108,25343,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127108,25343,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127108,25343,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127125,25344,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127125,25344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127125,25344,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127142,25345,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127142,25345,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127142,25345,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127156,25346,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127156,25346,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127156,25346,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127184,25347,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127184,25347,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127184,25347,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127212,25348,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127212,25348,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127212,25348,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127230,25349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127230,25349,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127230,25349,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127249,25350,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127249,25350,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127249,25350,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,129282,25470,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127267,25351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127267,25351,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127267,25351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127281,25352,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,127295,25353,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013287,,,,,,,,,,127295,25353,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127309,25354,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127309,25354,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127309,25354,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127323,25355,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127323,25355,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127323,25355,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127337,25356,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127337,25356,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127337,25356,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,127351,25357,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013287,,,,,,,,,,127351,25357,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127367,25358,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127367,25358,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127367,25358,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127383,25359,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127383,25359,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127383,25359,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,127399,25360,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013287,,,,,,,,,,127399,25360,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,127415,25361,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,0.1013287,,,,,,,,,,127415,25361,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,127431,25362,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,0.1013287,,,,,,,,,,127431,25362,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127450,25363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127450,25363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127466,25364,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127466,25364,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127466,25364,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127480,25365,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127480,25365,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127480,25365,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127497,25366,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127497,25366,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.25144954,,,,,,,,,,127515,25367,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,,,,,,,127515,25367,1
N,15,water,protons,,,,,ppm,4.63,internal,indirect,0.10132900,,,,,,,,,,127515,25367,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,127530,25368,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,127530,25368,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,127530,25368,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,127550,25369,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127567,25370,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127567,25370,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127600,25372,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127600,25372,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127600,25372,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127624,25375,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127624,25375,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127624,25375,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127645,25376,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127645,25376,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127645,25376,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127661,25377,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127661,25377,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127661,25377,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127681,25378,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127697,25379,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127697,25379,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127697,25379,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,,,,,,,,,,127711,25380,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,127711,25380,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,127711,25380,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144,,,,,,,,,,127731,25381,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,127731,25381,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132,,,,,,,,,,127731,25381,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127746,25382,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127746,25382,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127746,25382,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127765,25383,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127765,25383,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127765,25383,1
C,13,na,protons,,,,,ppm,4.885,internal,indirect,0.251449453,,,,,,,,,,127781,25384,1
H,1,water,protons,,,,,ppm,4.885,internal,indirect,1,,,,,,,,,,127781,25384,1
N,15,na,protons,,,,,ppm,4.885,internal,indirect,0.101329118,,,,,,,,,,127781,25384,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127797,25385,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127797,25385,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127797,25385,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127821,25386,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127821,25386,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127821,25386,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127837,25387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127837,25387,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127837,25387,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,127854,25389,1
N,15,water,protons,,,,,ppm,118.4,internal,indirect,0.101329118,,,,,,,,,,127854,25389,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,127871,2539,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,127888,25390,1
N,15,water,protons,,,,,ppm,118.4,internal,indirect,0.101329118,,,,,,,,,,127888,25390,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127907,25391,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127907,25391,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127907,25391,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127921,25393,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127921,25393,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127921,25393,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,127937,25394,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,127937,25394,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,127937,25394,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,127952,25395,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,127952,25395,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,127952,25395,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,127970,25396,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,127970,25396,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,127970,25396,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,127989,25397,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,127989,25397,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,127989,25397,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.251449530,,,,,,,,,,128010,25398,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,128010,25398,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.101329118,,,,,,,,,,128010,25398,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,128025,25399,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,128025,25399,1
N,15,TSP,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,128025,25399,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,128038,254,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128057,25400,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128057,25400,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128057,25400,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128073,25401,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128073,25401,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128073,25401,1
C,13,HDO,H,,,,,ppm,4.763,internal,indirect,0.251449530,,,,,,,,,,128088,25402,1
H,1,HDO,H,,,,,ppm,4.763,internal,indirect,1.0,,,,,,,,,,128088,25402,1
N,15,HDO,H,,,,,ppm,4.763,internal,indirect,0.101329118,,,,,,,,,,128088,25402,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128104,25403,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,direct,1.0,,,,,,,,,,128104,25403,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128104,25403,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,128118,25404,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,128118,25404,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,128118,25404,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,128133,25405,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,128133,25405,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,128133,25405,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128147,25406,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128147,25406,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,128163,25407,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,128163,25407,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,128163,25407,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,128177,25408,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,128191,25409,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0,,,,,,,,,,128207,25410,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,128207,25410,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0,,,,,,,,,,128207,25410,1
C,13,DSS,methyl protons,,,,,ppm,2.7,external,indirect,0.251449530,,,,,,,,,,128224,25411,1
H,1,DSS,methyl protons,,,,,ppm,0.05,external,direct,1.000000000,,,,,,,,,,128224,25411,1
N,15,DSS,methyl protons,,,,,ppm,0.07,external,indirect,0.101329118,,,,,,,,,,128224,25411,1
C,13,adamantane,methylene carbon,,,,,ppm,38.48,na,direct,1,,,,,,,,,,128240,25413,1
N,15,adamantane,methylene carbon,,,,,ppm,38.48,na,indirect,0.403,,,,,,,,,,128240,25413,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128262,25414,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,128262,25414,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128283,25415,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,128283,25415,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128301,25416,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128316,25417,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,128316,25417,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128316,25417,1
C,13,water,protons,,,,,ppm,4.692,na,indirect,0.251449530,,,,,,,,,,128336,25418,1
H,1,water,protons,,,,,ppm,4.692,internal,direct,1.000000000,,,,,,,,,,128336,25418,1
N,15,water,protons,,,,,ppm,4.692,na,indirect,0.101329118,,,,,,,,,,128336,25418,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,0,,,,,,,,,,128353,25419,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,128366,2542,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,128387,25420,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,128387,25420,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,128387,25420,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,128403,25421,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,128403,25421,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,128403,25421,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,128428,25422,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,128428,25422,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,128428,25422,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128450,25423,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128450,25423,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128450,25423,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,128450,25423,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128464,25424,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128490,25425,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128490,25425,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128490,25425,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,128505,25426,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,128505,25426,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,128505,25426,1
C,13,TSP,methyl protons,,,,,Hz,0,external,indirect,0.252,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,128532,25427,1
H,1,TSP,methyl protons,,,,,Hz,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,128532,25427,1
N,15,TSP,methyl protons,,,,,Hz,0,external,indirect,0.101,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,128532,25427,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128550,25428,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128550,25428,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128550,25428,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,128565,25429,1
N,15,TMS,methyl carbon,,,,,ppm,0,external,indirect,1,,,,,,,,,,128565,25429,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,128581,25430,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,128581,25430,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,128581,25430,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128598,25432,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128598,25432,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128598,25432,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128618,25433,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128618,25433,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128618,25433,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128635,25434,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128635,25434,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128635,25434,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128654,25435,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128654,25435,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128654,25435,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,128677,25436,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,128677,25436,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,128677,25436,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128693,25437,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128693,25437,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128693,25437,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,none,,,,128715,25439,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,none,,,,128715,25439,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,none,,,,128715,25439,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,129296,25471,1
Cd,113,TSP,methyl protons,,,,,ppm,0,external,indirect,0.222819519,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,128734,25440,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,none,,,,128734,25440,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128751,25441,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128751,25441,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128751,25441,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,128775,25442,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,128775,25442,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,128775,25442,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,128798,25443,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,128798,25443,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,128798,25443,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128813,25445,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1,,,,,,,,,,128813,25445,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128813,25445,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,128828,25446,1
H,1,water,protons,,,,,ppm,4.76,na,direct,1.0,,,,,,,,,,128843,25447,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128868,25448,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128868,25448,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128868,25448,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128887,25449,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128887,25449,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128887,25449,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128908,25451,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128908,25451,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128908,25451,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128928,25452,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128928,25452,1
C,13,water,protons,,,,,ppm,4.753,internal,indirect,0.251449530,,,,,,,,,,128945,25453,1
H,1,water,protons,,,,,ppm,4.753,internal,direct,1,,,,,,,,,,128945,25453,1
N,15,water,protons,,,,,ppm,4.753,internal,indirect,0.101329118,,,,,,,,,,128945,25453,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144952,,,,,,,,,,128963,25454,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,128963,25454,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,128963,25454,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,128981,25455,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,128981,25455,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,128981,25455,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,temperature,,,,128996,25456,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,129011,25457,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,129029,25458,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129051,25459,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129051,25459,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129051,25459,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,129064,2546,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129085,25460,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129085,25460,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129085,25460,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129106,25461,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129106,25461,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129106,25461,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,129125,25462,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,129125,25462,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,129125,25462,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,129144,25463,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,129144,25463,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,129144,25463,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129164,25464,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129164,25464,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129164,25464,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,129184,25465,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,,,,,,,,,,129198,25466,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,129198,25466,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,129198,25466,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129214,25467,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129214,25467,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129214,25467,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129233,25468,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129233,25468,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129233,25468,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,129254,25469,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,129254,25469,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,129254,25469,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,129310,25472,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,129332,25473,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1,,,,,,,,,,129332,25473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,129332,25473,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,129348,25474,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129367,25475,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,129389,25476,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129389,25476,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,129389,25476,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,129408,25477,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.10132918,,,,,,,,,,129408,25477,1
H,1,water,methyl protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,129422,25478,1
H,1,na,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,129438,25479,1
N,15,na,nitrogen,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,129438,25479,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129453,25481,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129453,25481,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129453,25481,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129478,25482,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129478,25482,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129478,25482,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.2514,,,,,,,,,,129497,25483,1
H,1,water,protons,,,,,ppm,4.71,na,direct,1.0,,,,,,,,,,129497,25483,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.1013,,,,,,,,,,129497,25483,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129521,25484,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129521,25484,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129521,25484,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,129546,25485,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,129546,25485,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,129546,25485,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129563,25486,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129563,25486,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129563,25486,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129580,25487,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129580,25487,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129580,25487,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,129604,25488,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,129604,25488,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,129604,25488,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,129630,25489,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,129630,25489,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,129630,25489,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,129650,25490,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,129670,25491,1
C,13,water,protons,,,,,ppm,57,internal,indirect,1,,,,,,,,,,129689,25492,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,129689,25492,1
N,15,water,protons,,,,,ppm,119,internal,indirect,1,,,,,,,,,,129689,25492,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,129710,25493,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129710,25493,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,129710,25493,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129727,25494,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129727,25494,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129727,25494,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129754,25495,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129754,25495,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129754,25495,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129773,25496,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129773,25496,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129773,25496,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129792,25497,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129792,25497,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129792,25497,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129811,25498,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129811,25498,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129811,25498,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129830,25499,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129830,25499,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129830,25499,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,129843,255,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,129859,25500,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,129859,25500,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,129859,25500,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,129876,25501,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,129876,25501,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,129876,25501,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,129893,25502,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129893,25502,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,129893,25502,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,129929,25504,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,129929,25504,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,129929,25504,1
C,1,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.1932576,,,,,,,,,,129943,25505,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129943,25505,1
N,1,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.07684768,,,,,,,,,,129943,25505,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129963,25506,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129963,25506,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129980,25507,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129980,25507,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,129999,25508,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,129999,25508,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,129999,25508,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,130047,25509,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130047,25509,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130047,25509,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,130061,25510,1
H,1,DSS,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,130061,25510,1
N,15,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130061,25510,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130081,25511,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130081,25511,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130081,25511,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,130107,25512,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,130107,25512,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,130107,25512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130130,25513,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130130,25513,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130130,25513,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130148,25514,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130148,25514,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130148,25514,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130165,25515,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130165,25515,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130165,25515,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130182,25516,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130197,25517,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130220,25518,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130220,25518,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130237,25519,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130237,25519,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130237,25519,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130257,25520,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130257,25520,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130257,25520,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130274,25521,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130274,25521,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130274,25521,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130291,25522,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130291,25522,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130291,25522,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130308,25523,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130308,25523,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130308,25523,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130328,25524,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130328,25524,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130328,25524,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130347,25525,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130347,25525,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130347,25525,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,130381,25526,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,130381,25526,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101363298,,,,,,,,,,130381,25526,1
P,31,DSS,methyl protons,,,,,ppm,0,external,indirect,0.4048065,,,,,,,,,,130381,25526,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130412,25527,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,130412,25527,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130412,25527,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130432,25528,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,130452,25529,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130469,25530,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130469,25530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130469,25530,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1.0,,,,,,,,,,130488,25531,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,130503,25532,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,130503,25532,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,130503,25532,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130523,25533,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130523,25533,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130523,25533,1
C,13,adamantane,methyl carbons,,,,,ppm,38.48,external,direct,1,,,,,,,,,,130538,25534,1
N,15,adamantane,methyl carbons,,,,,ppm,38.48,na,indirect,0.402980,,,,,,,,,,130538,25534,1
P,31,adamantane,methyl carbons,,,,,ppm,38.48,na,indirect,1.609894,,,,,,,,,,130538,25534,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130552,25535,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130552,25535,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130571,25536,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,130571,25536,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130571,25536,1
H,1,TMSP-d4,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,130586,25537,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130607,25538,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,130607,25538,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130607,25538,1
H,1,TSP,methylene protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,130623,25539,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130646,25540,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130646,25540,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130646,25540,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130663,25541,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130663,25541,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130663,25541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130680,25542,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130680,25542,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130680,25542,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130698,25543,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130698,25543,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130698,25543,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130715,25544,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130715,25544,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130715,25544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130734,25545,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130734,25545,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130734,25545,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130753,25546,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,130753,25546,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130753,25546,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130768,25548,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130768,25548,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130768,25548,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130783,25549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130783,25549,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130783,25549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130806,25551,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130806,25551,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130826,25552,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130826,25552,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130826,25552,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,130844,25553,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,130844,25553,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,130844,25553,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130858,25554,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130858,25554,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130858,25554,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,130875,25555,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130896,25556,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130896,25556,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130896,25556,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130913,25557,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130913,25557,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130913,25557,1
C,13,alanine powder,carboxylate,,,,,ppm,179.65,external,direct,1.0,,,,,,,,,,130940,25558,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.0,external,indirect,0.402907564,,,,,,,,,,130940,25558,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,130960,25559,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1.0,,,,,,,,,,130960,25559,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,130960,25559,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130974,25560,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,131485,25592,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,130974,25560,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130974,25560,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,130988,25561,1
C,13,water,protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,130988,25561,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,130988,25561,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,131012,25562,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,131012,25562,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,131012,25562,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.251449530,,,,,,,,,,131037,25564,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,131037,25564,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,131037,25564,1
H,1,DSS,methyl protons,,,,,ppm,0.0,na,indirect,1.0,,,,,,,,,,131055,25565,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131072,25566,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131072,25566,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131072,25566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131090,25567,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131090,25567,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131090,25567,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,131108,25568,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,131108,25568,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,131108,25568,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131127,25569,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131145,25570,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131145,25570,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131145,25570,1
H,1,water,protons,,,,,ppm,4.6588,internal,direct,1,,,,,,,,,,131183,25571,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131197,25572,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131197,25572,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131197,25572,1
C,13,glucose,methyl carbons,,,,,ppm,54.0,internal,indirect,1.0,,,,,,,,,,131221,25573,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1.0,,,,,,,,,,131221,25573,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,117.0,internal,indirect,1.0,,,,,,,,,,131221,25573,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,131245,25574,1
H,1,water,methyl protons,,,,,ppm,4.75,internal,direct,1.000000000,,,,,,,,,,131245,25574,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,131264,25575,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,131264,25575,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,131264,25575,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,131287,25576,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,131287,25576,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,131287,25576,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,131310,25577,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,131310,25577,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,131310,25577,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131326,25582,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131326,25582,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131326,25582,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131345,25584,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131345,25584,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131345,25584,1
C,13,dioxane,protons,,,,,ppm,3.75,external,indirect,0.251449530,,,,,,,,,,131363,25585,1
H,1,dioxane,protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,131363,25585,1
N,15,dioxane,protons,,,,,ppm,3.75,external,indirect,0.101329118,,,,,,,,,,131363,25585,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,na,indirect,0.25144953,,,,,,,,,,131382,25586,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131382,25586,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131383,25586,2
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131383,25586,2
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,131401,25587,1
H,1,H2O,protons,,,,,ppm,4.66,internal,indirect,1,,,,,,,,,,131401,25587,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,131401,25587,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131434,25588,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131434,25588,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131434,25588,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131452,25590,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131452,25590,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131452,25590,1
C,13,adamantane,methyl carbons,,,,,ppm,40.5,external,direct,1,,,,,,,,,,131468,25591,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1,,,,,,,,,,131468,25591,1
N,15,TMS,nitrogen,,,,,ppm,26.8,external,direct,1,,,,,,,,,,131468,25591,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,131485,25592,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131504,25593,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131504,25593,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131504,25593,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,131519,25595,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,131519,25595,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,131519,25595,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131540,25596,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131559,25597,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131559,25597,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131559,25597,1
H,1,methanol,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,131575,25598,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131591,25599,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131591,25599,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131591,25599,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,131605,256,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,131619,25600,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131647,25601,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131647,25601,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131662,25602,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131662,25602,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131662,25602,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131683,25603,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131683,25603,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131683,25603,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131683,25603,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131704,25604,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131704,25604,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131704,25604,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,131704,25604,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131722,25605,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131722,25605,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131722,25605,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131738,25606,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131738,25606,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131738,25606,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131754,25607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131754,25607,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131754,25607,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131771,25609,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131771,25609,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131771,25609,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,131789,25610,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131814,25611,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131814,25611,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131814,25611,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131846,25612,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131846,25612,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131846,25612,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131866,25613,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131883,25614,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,131900,25615,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131916,25616,1
H,1,DSS,methyl protons,,,,,MHz,601.129941,internal,direct,1.0,,,,,,,,,,131916,25616,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131916,25616,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131933,25617,1
H,1,DSS,methyl carbons,,,,,MHz,601.129941,internal,direct,1.0,,,,,,,,,,131933,25617,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131933,25617,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131949,25618,1
H,1,DSS,methyl carbons,,,,,MHz,601.129948,internal,direct,1.0,,,,,,,,,,131949,25618,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131949,25618,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131966,25619,1
H,1,DSS,methyl carbons,,,,,MHz,601.129941,internal,direct,1.0,,,,,,,,,,131966,25619,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131966,25619,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131982,25620,1
H,1,DSS,methyl carbons,,,,,MHz,601.1299434,internal,direct,1.0,,,,,,,,,,131982,25620,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131982,25620,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,131998,25621,1
H,1,DSS,methyl carbons,,,,,MHz,601.1299449,internal,direct,1.0,,,,,,,,,,131998,25621,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,131998,25621,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132014,25622,1
H,1,DSS,methyl protons,,,,,MHz,601.1299449,internal,direct,1.0,,,,,,,,,,132014,25622,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132014,25622,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132030,25623,1
H,1,DSS,methyl protons,,,,,MHz,601.129947,internal,direct,1.0,,,,,,,,,,132030,25623,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132030,25623,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132046,25624,1
H,1,DSS,methyl protons,,,,,MHz,601.129944,internal,direct,1.0,,,,,,,,,,132046,25624,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132046,25624,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132063,25625,1
H,1,DSS,methyl protons,,,,,MHz,601.129942,internal,direct,1.0,,,,,,,,,,132063,25625,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132063,25625,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132079,25626,1
H,1,DSS,methyl protons,,,,,MHz,601.129919,internal,direct,1.0,,,,,,,,,,132079,25626,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132079,25626,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,132097,25627,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,132097,25627,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,132097,25627,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,132111,25628,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,132111,25628,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,132111,25628,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,132125,25629,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,132125,25629,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,132125,25629,1
C,13,TSP,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,132142,25630,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,132142,25630,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,132142,25630,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132161,25631,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132176,25632,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132176,25632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132176,25632,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132194,25634,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132194,25634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132194,25634,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132211,25636,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132211,25636,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132211,25636,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132232,25638,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132232,25638,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132232,25638,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132250,25639,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132250,25639,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132250,25639,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132274,25640,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132274,25640,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132274,25640,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,132298,25642,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,132298,25642,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,132298,25642,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,132314,25643,1
H,1,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,132314,25643,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,132314,25643,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,132340,25645,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,132340,25645,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,132340,25645,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132354,25646,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132354,25646,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132354,25646,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132368,25647,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132368,25647,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132368,25647,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132382,25648,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132382,25648,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132382,25648,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132410,25649,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132410,25649,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132410,25649,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132429,25650,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132429,25650,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132429,25650,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132450,25651,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,132490,25652,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.00000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,132490,25652,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,132490,25652,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132509,25653,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132532,25654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132532,25654,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132532,25654,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132559,25655,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132559,25655,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132559,25655,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132576,25656,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132576,25656,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132576,25656,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,132576,25656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132600,25657,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132600,25657,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132600,25657,1
C,13,TSP,H,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,132627,25658,1
H,1,TSP,H,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,132627,25658,1
H,1,TSP,H,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,132628,25658,2
N,15,TSP,H,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,132628,25658,2
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,132651,25659,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,132651,25659,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,132651,25659,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132678,25660,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132678,25660,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132678,25660,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132717,25661,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,132717,25661,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132717,25661,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,132717,25661,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132747,25662,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132747,25662,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132747,25662,1
H,1,water,protons,,,,,ppm,4.7,external,indirect,1,,,,,,,,,,132772,25663,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132797,25664,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132797,25664,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132797,25664,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,132818,25665,1
H,1,TSP,methyl protons,,,,,ppm,0.0,na,indirect,1.000000000,,,,,,,,,,132818,25665,1
N,15,TSP,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,132818,25665,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,132850,25666,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132850,25666,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,132850,25666,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,132870,25667,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,132870,25667,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,132870,25667,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,132888,25668,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,132888,25668,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,132888,25668,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,external,direct,0.251449530,,,,,,,,,,132910,25669,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,132910,25669,1
P,31,phosphoric acid (85%),P,,,,,ppm,0.00,external,direct,0.404808636,,,,,,,,,,132910,25669,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132924,25670,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132946,25671,1
H,1,water,protons,,,,,ppm,4.868,internal,indirect,1,,,,,,temperature,,,,132968,25672,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,132987,25673,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133005,25674,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133005,25674,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133005,25674,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,133020,25675,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,133020,25675,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,133020,25675,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,133034,25676,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133034,25676,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133034,25676,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133052,25677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133052,25677,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133052,25677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133069,25678,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133086,25679,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133103,25680,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133120,25681,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133137,25682,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133154,25683,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133181,25684,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133181,25684,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133181,25684,1
C,13,na,methyl carbon,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,133214,25685,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,133214,25685,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,133214,25685,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133232,25686,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133246,25688,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133246,25688,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133246,25688,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,133262,25689,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,133262,25689,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,133262,25689,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133282,25690,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133282,25690,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133282,25690,1
C,13,TMS,methyl carbon,,,,,ppm,0,na,indirect,0.25145020,,,,,,,,,,133296,25691,1
H,1,water,protons,,,,,ppm,4.79,internal,direct,1,,,,,,,,,,133296,25691,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.10132912,,,,,,,,,,133296,25691,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133314,25692,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133314,25692,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133334,25693,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133334,25693,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133334,25693,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133356,25694,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133356,25694,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133356,25694,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25148,,,,,,,,,,133370,25696,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,133370,25696,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10134,,,,,,,,,,133370,25696,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25148,,,,,,,,,,133384,25697,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,133384,25697,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10134,,,,,,,,,,133384,25697,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25148,,,,,,,,,,133399,25698,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,133399,25698,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10134,,,,,,,,,,133399,25698,1
C,13,water,protons,,,,,ppm,4.70,internal,indirect,0.2514679,,,,,,,,,,133413,25699,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,133413,25699,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,133426,257,1
C,13,na,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,133447,25700,1
H,1,water,protons,,,,,ppm,4.83,internal,direct,1,,,,,,,,,,133447,25700,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,133447,25700,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,133469,25701,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,1.000000000,,,,,,,,,,133469,25701,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,133469,25701,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133484,25702,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133484,25702,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133484,25702,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133498,25703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133498,25703,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133498,25703,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133514,25704,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133514,25704,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133514,25704,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133531,25705,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133531,25705,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133531,25705,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133550,25706,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133550,25706,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133550,25706,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133569,25707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133569,25707,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133585,25708,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133585,25708,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133585,25708,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133605,25709,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133605,25709,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133622,25710,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133622,25710,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133622,25710,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495300,,,,,,,,,,133641,25711,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,133641,25711,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013291180,,,,,,,,,,133641,25711,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133659,25712,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133659,25712,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133659,25712,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495300,,,,,,,,,,133678,25713,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,133678,25713,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013291180,,,,,,,,,,133678,25713,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495300,,,,,,,,,,133698,25714,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,133698,25714,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013291180,,,,,,,,,,133698,25714,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495300,,,,,,,,,,133718,25715,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,133718,25715,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013291180,,,,,,,,,,133718,25715,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,133738,25716,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,133757,25717,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133778,25718,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,133778,25718,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133778,25718,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133799,25719,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,133799,25719,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133799,25719,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133818,25720,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,133818,25720,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133818,25720,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,133833,25721,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,133833,25721,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,133833,25721,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133847,25722,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133847,25722,1
H,1,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,133870,25723,1
P,31,phosphoric acid (85%),P,,,,,ppm,0,external,direct,1.0,,,,,,,,,,133870,25723,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,133892,25724,1
P,31,phosphoric acid (85%),P,,,,,ppm,0,external,direct,1.0,,,,,,,,,,133892,25724,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133911,25725,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,133925,25726,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133945,25727,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133945,25727,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133945,25727,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,133945,25727,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133965,25728,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133965,25728,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133965,25728,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,133983,25729,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,133983,25729,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,133983,25729,1
N,,[15N](NH4)2SO4,,,,,,ppm,24.93,,,,,,,1,entry_citation,,,1,entry_citation,133996,2573,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134011,25730,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134011,25730,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134011,25730,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,134028,25731,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.1013717,,,,,,,,,,134028,25731,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,134047,25732,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,134047,25732,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,134047,25732,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134065,25734,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134065,25734,1
N,15,Liquid NH3,NH3,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134065,25734,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,134083,25735,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,134083,25735,1
N,15,Liquid NH3,NH3,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134083,25735,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134101,25736,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134101,25736,1
N,15,Liquid NH3,NH3,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134101,25736,1
H,1,DPC,methylene protons,,,,,ppm,1.52,internal,direct,1.000000000,,,,,,,,,,134121,25737,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134139,25738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134139,25738,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134157,25739,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134157,25739,1
N,,[15N](NH4)2SO4,,,,,,ppm,24.93,,,,,,,1,entry_citation,,,1,entry_citation,134170,2574,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,134189,25740,1
H,1,DPC,methylene protons,,,,,ppm,1.52,internal,direct,1.0,,,,,,,,,,134209,25741,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134227,25742,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134227,25742,1
N,15,Liquid NH3,NH3,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134227,25742,1
C,13,water,protons,,,,,ppm,4.808,internal,indirect,0.25144953,,,,,,,,,,134241,25743,1
H,1,water,protons,,,,,ppm,4.808,internal,direct,1,,,,,,,,,,134241,25743,1
N,15,water,protons,,,,,ppm,4.808,internal,indirect,0.101329118,,,,,,,,,,134241,25743,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,134258,25744,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,134258,25744,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,134258,25744,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,134275,25745,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134297,25746,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134312,25748,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134312,25748,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134312,25748,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,134327,25749,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,134340,2575,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,134355,25750,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,134355,25750,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,134355,25750,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,134370,25751,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,134394,25752,1
H,1,TMS,methyl protons,,,,,ppm,0,external,indirect,1.000000000,,,,,,,,,,134394,25752,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,134394,25752,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134416,25753,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134416,25753,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134416,25753,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251467875,,,,,,,,,,134432,25754,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,134432,25754,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134454,25755,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134454,25755,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134454,25755,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,deuterium,,,,134471,25756,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,temperature,,,,134471,25756,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,134471,25756,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134488,25757,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134488,25757,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134488,25757,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134503,25758,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134503,25758,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134503,25758,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134520,25759,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134535,25760,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134535,25760,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134535,25760,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134550,25761,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134550,25761,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134550,25761,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134568,25762,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134568,25762,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134568,25762,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134589,25763,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134589,25763,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134589,25763,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134606,25764,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134622,25765,1
C,13,dioxane,methyl carbon,,,,,ppm,61.3,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,134647,25766,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134647,25766,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134663,25767,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134663,25767,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134663,25767,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134682,25768,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134682,25768,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134682,25768,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134696,25769,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134719,25770,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134719,25770,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134719,25770,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1.000000000,,,,,,,,,,134734,25771,1
H,1,water,protons,,,,,ppm,4.868,internal,direct,1.000000000,,,,,,,,,,134749,25772,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134764,25773,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134764,25773,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134764,25773,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134782,25774,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134782,25774,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134782,25774,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,134800,25775,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,134800,25775,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,134800,25775,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134824,25776,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134824,25776,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134824,25776,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134846,25777,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134846,25777,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134864,25778,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134864,25778,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134864,25778,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134880,25779,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134880,25779,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134880,25779,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134900,25780,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134900,25780,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134900,25780,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,134900,25780,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134919,25781,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134919,25781,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134919,25781,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,134919,25781,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251467875,,,,,,,,,,134936,25782,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,134936,25782,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251467875,,,,,,,,,,134952,25783,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,134952,25783,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134971,25784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134971,25784,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134971,25784,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,134971,25784,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,134988,25785,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,134988,25785,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,134988,25785,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,134988,25785,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135007,25786,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135007,25786,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135007,25786,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135027,25787,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135027,25787,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135027,25787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135051,25788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135051,25788,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135051,25788,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135073,25789,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135073,25789,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135073,25789,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135089,25790,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135089,25790,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135089,25790,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135106,25791,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135106,25791,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135106,25791,1
C,13,na,methyl carbon,,,,,ppm,0.0,na,indirect,0.2511495,,,,,,,,,,135122,25792,1
H,1,DSS,methyl protons,,,,,ppm,0.0,na,direct,1,,,,,,,,,,135122,25792,1
N,15,na,nitrogen,,,,,ppm,0.0,na,indirect,0.1013291,,,,,,,,,,135122,25792,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135143,25793,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135143,25793,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135143,25793,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,135143,25793,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135171,25794,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135171,25794,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135171,25794,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135192,25796,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135192,25796,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135192,25796,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135210,25797,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135210,25797,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135210,25797,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135238,25798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135238,25798,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135238,25798,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135273,25799,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135273,25799,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135273,25799,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,135287,258,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,135300,2580,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135320,25800,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135320,25800,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135320,25800,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135337,25801,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135337,25801,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135337,25801,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135353,25802,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135353,25802,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135353,25802,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135368,25803,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135368,25803,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135368,25803,1
C,13,water,protons,,,,,ppm,4.76,internal,indirect,,,,,,,,,,,135386,25804,1
H,1,water,protons,,,,,ppm,4.76,internal,indirect,1.0,,,,,,,,,,135386,25804,1
N,15,water,protons,,,,,ppm,4.76,internal,indirect,,,,,,,,,,,135386,25804,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,135401,25805,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,135401,25805,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,135401,25805,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135419,25806,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135419,25806,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135419,25806,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135451,25807,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135467,25808,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135467,25808,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135482,25809,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135482,25809,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135482,25809,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135507,25810,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135507,25810,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135507,25810,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135531,25811,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135531,25811,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135531,25811,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135548,25813,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135567,25814,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,,,,,,,,,,135581,25816,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,135581,25816,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,135581,25816,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,135595,25817,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,135595,25817,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,135595,25817,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,135609,25818,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,135609,25818,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,135609,25818,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,,,,,,,,,,135623,25819,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,135623,25819,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,135623,25819,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135642,25820,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135657,25821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135657,25821,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135657,25821,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135676,25825,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135676,25825,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135676,25825,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135702,25826,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135702,25826,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135702,25826,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,135718,25827,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,135718,25827,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,135718,25827,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135735,25828,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,135735,25828,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135735,25828,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135754,25829,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,cylindrical,parallel,,,,,,,135754,25829,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135754,25829,1
C,13,TMS,methyl carbon,,,,,ppm,0,na,direct,1,,,,,,,,,,135771,25830,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135771,25830,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135771,25830,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135796,25831,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135796,25831,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135796,25831,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135812,25832,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135812,25832,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135812,25832,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135831,25833,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,135831,25833,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135831,25833,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135852,25834,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135852,25834,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135852,25834,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135870,25835,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135870,25835,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135887,25836,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135887,25836,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135887,25836,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135908,25837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135908,25837,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135908,25837,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,135924,25838,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,135924,25838,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,135924,25838,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,135946,25839,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.000000000,,,,,,,,,,135946,25839,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,135946,25839,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,135985,25840,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,136003,25844,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,136022,25845,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,136040,25846,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,136059,25847,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,136059,25847,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,0.101329118,,,,,,,,,,136059,25847,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,136078,25848,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136078,25848,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,136078,25848,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136093,25849,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136093,25849,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136093,25849,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136117,25850,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136117,25850,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136117,25850,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,136138,25851,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,136138,25851,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,indirect,1,,,,,,,,,,136138,25851,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136153,25852,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136153,25852,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136153,25852,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136175,25853,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136175,25853,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136175,25853,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136196,25854,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136196,25854,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136196,25854,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,136196,25854,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136217,25855,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136217,25855,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136217,25855,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,136217,25855,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136235,25856,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136235,25856,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136235,25856,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136249,25857,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136263,25858,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136292,25859,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136292,25859,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136292,25859,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136313,25860,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136313,25860,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136313,25860,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136332,25861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136332,25861,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136332,25861,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136349,25863,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136349,25863,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136349,25863,1
C,13,water,protons,,,,,ppm,46,internal,indirect,0.251449530,,,,,,,,,,136367,25864,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.0,,,,,,,,,,136367,25864,1
N,15,water,protons,,,,,ppm,120,internal,indirect,0.101329118,,,,,,,,,,136367,25864,1
C,13,water,protons,,,,,ppm,46,internal,indirect,0.251449530,,,,,,,,,,136386,25865,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.0,,,,,,,,,,136386,25865,1
N,15,water,protons,,,,,ppm,120,internal,indirect,0.101329118,,,,,,,,,,136386,25865,1
C,13,water,protons,,,,,ppm,46,internal,indirect,0.251449530,,,,,,,,,,136403,25866,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.0,,,,,,,,,,136403,25866,1
N,15,water,protons,,,,,ppm,120,internal,indirect,0.101329118,,,,,,,,,,136403,25866,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136422,25867,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136422,25867,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136447,25868,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136447,25868,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136447,25868,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136470,25869,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136470,25869,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136470,25869,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,136489,25870,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,136489,25870,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,136489,25870,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,136506,25871,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,136506,25871,1
N,15,ammonium hydroxide,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,136506,25871,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136524,25872,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136524,25872,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136524,25872,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136538,25873,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136538,25873,1
H,1,water,protons,,,,,ppm,4.81,internal,direct,1,,,,,,,,,,136560,25874,1
N,15,water,protons,,,,,ppm,4.81,internal,indirect,0.101329118,,,,,,,,,,136560,25874,1
C,13,methanol,methyl carbon,,,,,ppm,54,internal,direct,1,,,,,,,,,,136577,25875,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,136577,25875,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,124,internal,direct,1,,,,,,,,,,136577,25875,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136593,25877,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136593,25877,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136593,25877,1
C,13,acetate,methyl carbon,,,,,ppm,54,internal,direct,1,,,,,,,,,,136609,25878,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,136609,25878,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,136609,25878,1
C,13,acetate,methyl carbon,,,,,ppm,54,internal,direct,1,,,,,,,,,,136625,25879,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,136625,25879,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,136625,25879,1
C,13,acetate,methyl carbon,,,,,ppm,54,internal,direct,1,,,,,,,,,,136641,25880,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,136641,25880,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,136641,25880,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136658,25881,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136658,25881,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136658,25881,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136659,25881,2
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136659,25881,2
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136659,25881,2
H,1,water,protons,,,,,ppm,4.80,internal,direct,1.0,,,,,,,,,,136677,25882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136694,25883,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,136694,25883,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136694,25883,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,136712,25885,1
H,1,water,protons,,,,,ppm,4.802,internal,direct,1.000000000,,,,,,,,,,136712,25885,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,136712,25885,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136737,25886,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136737,25886,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136737,25886,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,136754,25887,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,136754,25887,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,136754,25887,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136794,25888,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136794,25888,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136794,25888,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136820,25889,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136820,25889,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136820,25889,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137333,25913,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136845,25890,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136845,25890,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136845,25890,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136871,25891,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136871,25891,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136871,25891,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136896,25892,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136896,25892,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136896,25892,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136919,25893,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136919,25893,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136919,25893,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136946,25894,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136946,25894,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136969,25895,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136969,25895,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,136969,25895,1
C,13,acetate,methyl carbon,,,,,ppm,54,internal,direct,1,,,,,,,,,,136985,25896,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,136985,25896,1
N,15,[15N] ammonium nitrate,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,136985,25896,1
C,13,acetate,methyl carbon,,,,,ppm,54,internal,direct,1,,,,,,,,,,137001,25897,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,137001,25897,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,118,internal,direct,1,,,,,,,,,,137001,25897,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137016,25898,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137037,25899,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137037,25899,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137037,25899,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,137050,259,1
C,,p-dioxane,,,,,,ppm,67,,,,,,,1,entry_citation,,,1,entry_citation,137063,2590,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.000,,,,,,,,,,137078,25900,1
C,13,DSS,methyl protons,,,,,Hz,1143.55,external,indirect,0.25,separate tube (no insert) similar to the experimental sample tube,cylindrical,na,,,,,,,137100,25901,1
H,1,DSS,methyl protons,,,,,Hz,1143.55,external,indirect,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,na,,,,,,,137100,25901,1
N,15,DSS,methyl protons,,,,,Hz,1143.55,external,indirect,0.4,separate tube (no insert) similar to the experimental sample tube,cylindrical,na,,,,,,,137100,25901,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137119,25902,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137119,25902,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137119,25902,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137136,25903,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,137153,25904,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137153,25904,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,137153,25904,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137167,25905,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137167,25905,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137167,25905,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137184,25906,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137207,25907,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,137207,25907,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137207,25907,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137229,25908,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,137229,25908,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137229,25908,1
C,13,Protein G B1,carbons,,,,,ppm,0,internal,direct,0.252,,,,,,,,,,137250,25909,1
H,1,Protein G B1,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137250,25909,1
N,15,Protein G B1,nitrogen,,,,,ppm,0,internal,direct,0.101,,,,,,,,,,137250,25909,1
C,,p-dioxane,,,,,,ppm,67,,,,,,,1,entry_citation,,,1,entry_citation,137263,2591,1
C,13,TMS,carbons,,,,,ppm,0,internal,indirect,0.252,,,,,,,,,,137282,25910,1
H,1,TMS,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137282,25910,1
N,15,TMS,nitrogen,,,,,ppm,0,internal,indirect,0.101,,,,,,,,,,137282,25910,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137296,25911,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137311,25912,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137311,25912,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137311,25912,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137333,25913,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137333,25913,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137358,25914,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137358,25914,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137358,25914,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137380,25915,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137380,25915,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,137401,25916,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137401,25916,1
N,15,formamide,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,137401,25916,1
C,13,water,protons,,,,,ppm,4.76,internal,direct,0,,,,,,,,,,137420,25917,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,0,,,,,,,,,,137420,25917,1
N,15,water,protons,,,,,ppm,4.76,internal,direct,0,,,,,,,,,,137420,25917,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137438,25918,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137438,25918,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137438,25918,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,137455,25919,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,137455,25919,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10133,,,,,,,,,,137455,25919,1
C,,p-dioxane,,,,,,ppm,67,,,,,,,1,entry_citation,,,1,entry_citation,137468,2592,1
C,13,water,protons,,,,,ppm,4.629,internal,indirect,0.25144954,,,,,,,,,,137485,25920,1
H,1,water,protons,,,,,ppm,4.629,internal,direct,1,,,,,,,,,,137485,25920,1
N,15,water,protons,,,,,ppm,4.629,internal,indirect,0.101329,,,,,,,,,,137485,25920,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,137502,25921,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,137502,25921,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,137502,25921,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,137519,25922,1
H,1,bis tris,protons,,,,,ppm,3.81,internal,direct,1,,,,,,,,,,137539,25923,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137557,25924,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137557,25924,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137557,25924,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137572,25925,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137572,25925,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137572,25925,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1,,,,,,,,,,137588,25926,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137608,25927,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137608,25927,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137608,25927,1
H,1,water,protons,,,,,ppm,4.769,internal,direct,1,,,,,,,,,,137623,25928,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1,,,,,,,,,,137642,25929,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,137642,25929,1
N,15,urea,nitrogen,,,,,ppm,77,external,direct,1,,,,,,,,,,137642,25929,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,137661,25930,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,137661,25930,1
N,15,urea,nitrogen,,,,,ppm,77,external,direct,1,,,,,,,,,,137661,25930,1
C,13,water,protons,,,,,ppm,4.628,internal,indirect,0.25144954,,,,,,,,,,137675,25931,1
H,1,water,protons,,,,,ppm,4.628,internal,direct,1,,,,,,,,,,137675,25931,1
N,15,water,protons,,,,,ppm,4.628,internal,indirect,0.10132900,,,,,,,,,,137675,25931,1
C,13,water,protons,,,,,ppm,4.628,internal,indirect,0.25144954,,,,,,,,,,137689,25932,1
H,1,water,protons,,,,,ppm,4.628,internal,direct,1,,,,,,,,,,137689,25932,1
N,15,water,protons,,,,,ppm,4.628,internal,indirect,0.101329,,,,,,,,,,137689,25932,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137710,25933,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137710,25933,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137710,25933,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137729,25934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137729,25934,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137729,25934,1
C,13,na,protons,,,,,ppm,30.219,internal,indirect,0.251449530,,,,,,,,,,137747,25935,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1.0,,,,,,,,,,137747,25935,1
N,15,na,protons,,,,,ppm,118.561,internal,indirect,0.101329118,,,,,,,,,,137747,25935,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,137764,25939,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1,,,,,,,,,,137780,25941,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137795,25942,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137795,25942,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137795,25942,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137817,25943,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137817,25943,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137817,25943,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137834,25944,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137834,25944,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137834,25944,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137858,25945,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137858,25945,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137858,25945,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137882,25946,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,137896,25947,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,137915,25948,1
H,1,water,protons,,,,,ppm,4.76,internal,indirect,1.0,,,,,,,,,,137933,25949,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137951,25950,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137951,25950,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137951,25950,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137969,25951,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137969,25951,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137969,25951,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,137986,25952,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,137986,25952,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,137986,25952,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138012,25953,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138012,25953,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138012,25953,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,138027,25954,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,138044,25955,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,138044,25955,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,138044,25955,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,138059,25956,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,138059,25956,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,138059,25956,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138078,25957,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138078,25957,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138078,25957,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138107,25958,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138107,25958,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138107,25958,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,138129,25959,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138129,25959,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,,,,,,,,,,138143,25961,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,138143,25961,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,138143,25961,1
H,1,methanol,methyl protons,,,,,ppm,3.31,internal,direct,1.0,,,,,,,,,,138162,25962,1
H,1,methanol,methyl protons,,,,,ppm,3.31,internal,direct,1.0,,,,,,,,,,138180,25963,1
C,13,HDO,protons,,,,,ppm,4.779,internal,indirect,0.251,,,,,,,,,,138200,25964,1
H,1,HDO,protons,,,,,ppm,4.779,internal,direct,1,,,,,,,,,,138200,25964,1
N,15,HDO,protons,,,,,ppm,4.779,internal,indirect,0.101,,,,,,,,,,138200,25964,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,138214,25965,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,138214,25965,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,138214,25965,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,138228,25966,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,138228,25966,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,138228,25966,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,138248,25967,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,138248,25967,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,138248,25967,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138263,25968,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138263,25968,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138263,25968,1
C,13,DSS,methyl protons,,,,,ppm,0.25144953,internal,indirect,0.251449519,,,,,,,,,,138277,25969,1
H,1,water,protons,,,,,ppm,4.802,internal,direct,1,,,,,,,,,,138277,25969,1
N,15,DSS,methyl protons,,,,,ppm,0.101329112,internal,indirect,0.10134133880514666048,,,,,,,,,,138277,25969,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138292,25970,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138292,25970,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138292,25970,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,138311,25971,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,138311,25971,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,138311,25971,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,138311,25971,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138325,25972,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138325,25972,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138325,25972,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138339,25973,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138339,25973,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138339,25973,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138359,25974,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138359,25974,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138359,25974,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138378,25975,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138378,25975,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138378,25975,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,138395,25976,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,138395,25976,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,138395,25976,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138419,25979,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138419,25979,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138419,25979,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138440,25982,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138462,25983,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138462,25983,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138462,25983,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138485,25984,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138485,25984,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138485,25984,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138504,25985,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138524,25986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138524,25986,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138524,25986,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138544,25987,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138544,25987,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138544,25987,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138561,25988,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138561,25988,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138561,25988,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138579,25989,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138579,25989,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138579,25989,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138596,25990,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138596,25990,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138596,25990,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138615,25991,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138615,25991,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138615,25991,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138632,25992,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138632,25992,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138632,25992,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138653,25993,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138653,25993,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138653,25993,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,138677,25994,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,138677,25994,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,138677,25994,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138698,25995,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138698,25995,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138698,25995,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,138716,25996,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138740,25997,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,138740,25997,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138764,25998,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,138764,25998,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138788,25999,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,138788,25999,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,138801,26,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,138814,260,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,138838,26000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138859,26001,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,"insert at outer edge of experimental sample tube,insert at center of a separate sample tube",,,,,,,,,138859,26001,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138859,26001,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138882,26002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138882,26002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138882,26002,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138921,26003,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138921,26003,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138921,26003,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,138964,26004,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,138964,26004,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,138964,26004,1
H,1,na,protons,,,,,ppm,10.63,external,direct,1,,,,,,,,,,138997,26005,1
H,1,na,protons,,,,,ppm,10.63,external,direct,1,,,,,,,,,,139013,26006,1
H,1,na,protons,,,,,ppm,10.63,external,direct,1,,,,,,,,,,139029,26007,1
H,1,na,protons,,,,,ppm,10.63,external,direct,1,,,,,,,,,,139045,26008,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.000000000,,,,,,,,,,139061,26009,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139081,26010,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139081,26010,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139081,26010,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139101,26011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139101,26011,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139101,26011,1
C,13,water,protons,,,,,ppm,4.725,na,indirect,0.251449530,,,,,,,,,,139123,26012,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1,,,,,,,,,,139123,26012,1
N,15,water,protons,,,,,ppm,4.725,na,indirect,0.101329118,,,,,,,,,,139123,26012,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139147,26016,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,139147,26016,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139147,26016,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,139165,26021,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,139165,26021,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,139165,26021,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139184,26022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139184,26022,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139184,26022,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139205,26024,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139205,26024,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139205,26024,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139240,26025,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139240,26025,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139240,26025,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251449530,,,,,,,,,,139263,26026,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1.000000000,,,,,,,,,,139263,26026,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.101329118,,,,,,,,,,139263,26026,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,139280,26027,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,139280,26027,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,139280,26027,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,139299,26028,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,139299,26028,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,139299,26028,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,139317,26029,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,139317,26029,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,139317,26029,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,139336,26030,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,139336,26030,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,139336,26030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139360,26031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139360,26031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139360,26031,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139376,26032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139392,26033,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139411,26034,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139411,26034,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139431,26035,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139431,26035,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,139446,26036,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,139460,26037,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,139474,26038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139488,26040,1
C,13,water,protons,,,,,ppm,4.77,na,indirect,0.251449530,,,,,,,,,,139514,26041,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,139514,26041,1
N,15,water,protons,,,,,ppm,4.77,na,indirect,0.101329118,,,,,,,,,,139514,26041,1
C,13,water,protons,,,,,ppm,4.77,na,indirect,0.251449530,,,,,,,,,,139540,26042,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,139540,26042,1
N,15,water,protons,,,,,ppm,4.77,na,indirect,0.101329118,,,,,,,,,,139540,26042,1
C,13,water,protons,,,,,ppm,4.77,na,indirect,0.251449530,,,,,,,,,,139564,26043,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,139564,26043,1
N,15,water,protons,,,,,ppm,4.77,na,indirect,0.101329118,,,,,,,,,,139564,26043,1
C,13,TMS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,950,,,,,,,,,139580,26044,1
H,1,TMS,methyl protons,,,,,ppm,0.0,external,indirect,1.000000000,950,,,,,,,,,139580,26044,1
N,15,TMS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,950,,,,,,,,,139580,26044,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139611,26045,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139611,26045,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139611,26045,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139635,26046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139635,26046,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139635,26046,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139655,26047,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139655,26047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139655,26047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139678,26048,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139678,26048,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139678,26048,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,139692,26049,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,139706,26050,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,139720,26051,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,139742,26052,1
N,,[15N]ammonium nitrate,,,,,,ppm,24,,,,,,,,,,,,,140387,2632,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,139742,26052,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,139742,26052,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,139763,26053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,,,,,,,,139763,26053,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,139763,26053,1
H,1,TSP,protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,139777,26054,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139796,26055,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139796,26055,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139796,26055,1
H,1,TSP,protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,139810,26056,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139828,26057,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139828,26057,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139828,26057,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139843,26058,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139843,26058,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139843,26058,1
C,13,water,methyl carbon,,,,,ppm,40,internal,direct,1,,,,,,,,,,139868,26059,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,139868,26059,1
N,15,water,nitrogen,,,,,ppm,119,internal,direct,1,,,,,,,,,,139868,26059,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,139881,2606,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,139881,2606,1
C,13,water,methyl carbon,,,,,ppm,40,internal,direct,1,,,,,,,,,,139906,26060,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,139906,26060,1
N,15,water,nitrogen,,,,,ppm,118.5,internal,direct,1,,,,,,,,,,139906,26060,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,139924,26061,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,139924,26061,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,139924,26061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,139938,26062,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,139938,26062,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,139938,26062,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,139952,26063,1
H,1,methanol,methyl protons,,,,,ppm,3.31,internal,direct,1,,,,,,,,,,139969,26064,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,139986,26065,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,140003,26066,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,140018,26068,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,140018,26068,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,140018,26068,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,140036,26069,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,140036,26069,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,140036,26069,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140049,2607,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140049,2607,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140062,2608,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140062,2608,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140075,2609,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140075,2609,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,140088,261,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140101,2610,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140101,2610,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140114,2611,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140114,2611,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140127,2612,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140127,2612,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140140,2613,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140140,2613,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140153,2614,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140153,2614,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140166,2615,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140166,2615,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140179,2616,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140179,2616,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140192,2617,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140192,2617,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140205,2618,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140205,2618,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140218,2619,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140218,2619,1
C,,TMS,,,,,,ppm,.04,,,,,,,1,entry_citation,,,1,entry_citation,140231,262,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,140231,262,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140244,2620,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140244,2620,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140257,2621,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140257,2621,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140270,2622,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140270,2622,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140283,2623,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140283,2623,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140296,2624,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140296,2624,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140309,2625,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140309,2625,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140322,2627,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140322,2627,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140335,2628,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,,,,,,,140335,2628,1
C,,TMS,,,,,,ppm,.04,,,,,,,1,entry_citation,,,1,entry_citation,140348,263,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,140348,263,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140361,2630,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140374,2631,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,140400,2638,1
C,,TMS,,,,,,ppm,.04,,,,,,,1,entry_citation,,,1,entry_citation,140426,264,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,140426,264,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,140439,2640,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,140452,2641,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,140465,2642,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,140662,26509,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,140662,26509,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,140662,26509,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,140675,2651,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,140738,26512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,140738,26512,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,140738,26512,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,140860,26517,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,140860,26517,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,140860,26517,1
C,13,HDO,HDO,,,,,ppm,4.773,internal,indirect,,,,,,,,,,,140879,26518,1
H,1,HDO,HDO,,,,,ppm,4.773,internal,indirect,1,,,,,,,,,,140879,26518,1
N,15,HDO,HDO,,,,,ppm,4.771,internal,indirect,0.101329118,,,,,,,,,,140879,26518,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,140911,2652,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,140977,26526,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,140977,26526,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,140977,26526,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,140992,26527,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,140992,26527,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,140992,26527,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,140992,26527,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141008,26528,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,141008,26528,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141008,26528,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141024,26529,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,141024,26529,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141024,26529,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141041,26530,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141041,26530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141041,26530,1
C,13,glucose,methyl carbon,,,,,ppm,0,na,direct,0.251449530,,,,,,,,,,141057,26531,1
H,1,na,protons,,,,,ppm,0,na,direct,1,,,,,,,,,,141057,26531,1
N,15,[15N] ammonium nitrate,nitrogen,,,,,ppm,0,na,direct,0.101329118,,,,,,,,,,141057,26531,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141074,26532,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141074,26532,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141074,26532,1
C,13,water,protons,,,,,ppm,4.783,internal,indirect,0.251449530,,,,,,,,,,141111,26534,1
H,1,water,protons,,,,,ppm,4.783,internal,direct,1.0,,,,,,,,,,141111,26534,1
N,15,water,protons,,,,,ppm,4.783,internal,indirect,0.101329118,,,,,,,,,,141111,26534,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141129,26535,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141129,26535,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141129,26535,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,141144,26536,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,141161,26537,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,141179,26538,1
C,13,HDO,H,,,,,ppm,4.7,internal,indirect,0.25144953,,,,,,,,,,141195,26541,1
H,1,HDO,H,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,141195,26541,1
N,15,HDO,H,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,141195,26541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141212,26543,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,141212,26543,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141212,26543,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141226,26544,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141226,26544,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141226,26544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141241,26545,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141241,26545,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141241,26545,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141260,26546,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,141260,26546,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141260,26546,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141275,26547,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141275,26547,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141275,26547,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,141291,26548,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,141291,26548,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141308,26549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141308,26549,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141308,26549,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141322,26550,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141322,26550,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141338,26551,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141338,26551,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141338,26551,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.251449530,,,,,,,,,,141353,26552,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1.000000000,,,,,,,,,,141353,26552,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.101329118,,,,,,,,,,141353,26552,1
C,13,TMS,methyl carbonss,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,141369,26553,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,141369,26553,1
N,15,Liquid NH3,nitrogen,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,141369,26553,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141385,26554,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141385,26554,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141385,26554,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141401,26557,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141401,26557,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141419,26558,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141419,26558,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141419,26558,1
C,13,water,protons,,,,,ppm,4.7649,internal,indirect,0.251449530,,,,,,,,,,141436,26562,1
H,1,water,protons,,,,,ppm,4.7649,internal,direct,1,,,,,,,,,,141436,26562,1
N,15,water,protons,,,,,ppm,4.7649,internal,indirect,0.101329118,,,,,,,,,,141436,26562,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141465,26564,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141465,26564,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141465,26564,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,141482,26565,1
C,13,HDO,protons,,,,,ppm,4.676,internal,indirect,0.25144953,,,,,,,,,,141500,26568,1
H,1,HDO,protons,,,,,ppm,4.676,internal,indirect,1,,,,,,,,,,141500,26568,1
N,15,HDO,protons,,,,,ppm,4.676,internal,indirect,0.101329118,,,,,,,,,,141500,26568,1
P,31,HDO,protons,,,,,ppm,4.676,internal,indirect,0.40480864,,,,,,,,,,141500,26568,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141519,26569,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141519,26569,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141519,26569,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.2514953,,,,,,,,,,141534,26570,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,141534,26570,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,141534,26570,1
C,13,DSS,methyl protons,,,,,ppm,2.66,internal,indirect,0.2514,,,,,,,,,,141550,26571,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,141550,26571,1
N,15,DSS,methyl protons,,,,,ppm,0.001,internal,indirect,0.1013,,,,,,,,,,141550,26571,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141564,26573,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141564,26573,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141564,26573,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141578,26574,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141578,26574,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141578,26574,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141593,26575,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141593,26575,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141593,26575,1
H,1,TSP,methyl protons,,,,,ppm,1,internal,direct,1,,,,,,,,,,141608,26576,1
N,15,TSP,methyl protons,,,,,ppm,0.1,internal,indirect,0.101329118,,,,,,,,,,141608,26576,1
C,13,water,protons,,,,,ppm,41.706,na,indirect,0.251449530,,,,,,,,,,141626,26577,1
H,1,water,protons,,,,,ppm,4.744,internal,direct,1.000000000,,,,,,,,,,141626,26577,1
N,15,water,protons,,,,,ppm,118.050,na,indirect,0.101329118,,,,,,,,,,141626,26577,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141644,26578,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141644,26578,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,141658,26579,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,141658,26579,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,141658,26579,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,141690,26580,1
H,1,H2O,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,141690,26580,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,141690,26580,1
C,13,water,protons,,,,,ppm,41.706,,indirect,0.251449530,,,,,,,,,,141709,26582,1
H,1,water,protons,,,,,ppm,4.744,internal,direct,1.000000000,,,,,,,,,,141709,26582,1
N,15,water,protons,,,,,ppm,118.050,,indirect,0.101329118,,,,,,,,,,141709,26582,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141728,26583,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,141728,26583,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141728,26583,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141747,26584,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,141747,26584,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141747,26584,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141764,26585,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,141764,26585,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141764,26585,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141778,26586,1
H,1,TSP,methyl protons,,,,,ppm,0.00,na,direct,1.000000000,,,,,,,,,,141778,26586,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141778,26586,1
C,13,TMS,methyl carbon,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,141794,26587,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,direct,1,,,,,,,,,,141794,26587,1
N,15,urea,nitrogen,,,,,ppm,0.00,na,direct,0.101329118,,,,,,,,,,141794,26587,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,direct,1,,,,,,,,,,141810,26588,1
N,15,urea,nitrogen,,,,,ppm,0.00,na,direct,0.251449530,,,,,,,,,,141810,26588,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,141824,26589,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141838,26590,1
H,1,TSP,methyl protons,,,,,ppm,0.00,na,direct,1.000000000,,,,,,,,,,141838,26590,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141838,26590,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,1,,,,,,,,,,141852,26591,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,141852,26591,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,1,,,,,,,,,,141852,26591,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,indirect,1.00,,,,,,,,,,141869,26592,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.00,,,,,,,,,,141869,26592,1
N,15,DSS,nitrogen,,,,,ppm,0.00,external,indirect,1.00,,,,,,,,,,141869,26592,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,1.00,,,,,,,,,,141870,26592,2
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.00,,,,,,,,,,141870,26592,2
N,15,DSS,nitrogen,,,,,ppm,0.0,external,indirect,1.00,,,,,,,,,,141870,26592,2
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,.251449527,,,,,,,,,,141887,26593,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,141887,26593,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,.101329118,,,,,,,,,,141887,26593,1
C,13,water,protons,,,,,ppm,4.677,internal,indirect,0.2514953,,,,,,,,,,141901,26594,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.0,,,,,,,,,,141901,26594,1
N,15,water,protons,,,,,ppm,4.677,internal,indirect,0.101329118,,,,,,,,,,141901,26594,1
C,13,water,protons,,,,,ppm,4.677,internal,indirect,0.2514953,,,,,,,,,,141916,26595,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.0,,,,,,,,,,141916,26595,1
N,15,water,protons,,,,,ppm,4.677,internal,indirect,0.101329118,,,,,,,,,,141916,26595,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141930,26597,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141930,26597,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141930,26597,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141946,26598,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141946,26598,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141946,26598,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,141962,26599,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,141962,26599,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,141962,26599,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,141978,26600,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,141978,26600,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,141978,26600,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,141994,26601,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,141994,26601,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,141994,26601,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,142010,26602,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,142010,26602,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,142010,26602,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142029,26603,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142029,26603,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142029,26603,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142045,26604,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142045,26604,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142045,26604,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,142062,26605,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,142062,26605,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142076,26607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142076,26607,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142076,26607,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,142090,26608,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,142090,26608,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,142090,26608,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,142106,26609,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,142106,26609,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,142106,26609,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,142120,26610,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,142120,26610,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,142120,26610,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,142136,26611,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,142136,26611,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,142136,26611,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142150,26612,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142150,26612,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142150,26612,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142164,26613,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142164,26613,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142164,26613,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142178,26614,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142178,26614,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142197,26615,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142197,26615,1
N,15,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142197,26615,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142198,26615,2
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142217,26616,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142217,26616,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142217,26616,1
C,13,DSS,methyl protons,,,,,ppm,0.317,internal,indirect,0.25144953,,,,,,,,,,142233,26617,1
H,1,DSS,methyl protons,,,,,ppm,0.317,internal,direct,1,,,,,,,,,,142233,26617,1
N,15,DSS,methyl protons,,,,,ppm,0.317,internal,indirect,0.10132918,,,,,,,,,,142233,26617,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142251,26618,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142251,26618,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142251,26618,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142267,26619,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142267,26619,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142267,26619,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142285,26620,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142285,26620,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142285,26620,1
C,13,water,protons,,,,,ppm,4.582,internal,indirect,0.251493,,,,,,,,,,142300,26623,1
H,1,water,protons,,,,,ppm,4.582,internal,direct,1,,,,,,,,,,142300,26623,1
N,15,water,protons,,,,,ppm,4.582,internal,indirect,0.10134,,,,,,,,,,142300,26623,1
C,13,water,protons,,,,,ppm,4.582,internal,indirect,0.251493,,,,,,,,,,142314,26624,1
H,1,water,protons,,,,,ppm,4.582,internal,direct,1,,,,,,,,,,142314,26624,1
N,15,water,protons,,,,,ppm,4.582,internal,indirect,0.10134,,,,,,,,,,142314,26624,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142330,26625,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142330,26625,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142350,26626,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142350,26626,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142350,26626,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142371,26627,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142371,26627,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142371,26627,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142387,26628,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142387,26628,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142387,26628,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,,,,,,,,,142403,26629,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,,,,,,,,,142403,26629,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142403,26629,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142419,26630,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142419,26630,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142419,26630,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,other,,,,,,,,,142434,26631,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,other,,,,,,,,,142434,26631,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,other,,,,,,,,,142434,26631,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142450,26632,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142450,26632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142450,26632,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142468,26634,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142468,26634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142468,26634,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,142482,26635,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142503,26636,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142503,26636,1
C,13,DSS,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,142524,26637,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,142524,26637,1
N,15,DSS,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,142524,26637,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142540,26638,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142540,26638,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142540,26638,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142558,26639,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142558,26639,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142558,26639,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142583,26640,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142583,26640,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142583,26640,1
C,13,adamantane,methylen carbons,,,,,ppm,38.48,external,direct,,,,,,,,,,,142584,26640,2
H,1,adamantane,methylen carbon,,,,,ppm,38.48,external,indirect,,,,,,,,,,,142584,26640,2
N,15,adamantane,methylen carbons,,,,,ppm,38.48,external,indirect,,,,,,,,,,,142584,26640,2
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142601,26641,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142601,26641,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142619,26642,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142619,26642,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142619,26642,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,142635,26643,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,142635,26643,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,142635,26643,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,142649,26644,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,142649,26644,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,142649,26644,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142665,26645,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142665,26645,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142665,26645,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,142680,26646,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,142680,26646,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,-0.10136329823,,,,,,,,,,142680,26646,1
C,13,na,methyl carbon,,,,,ppm,0.0,na,indirect,0.2511495,,,,,,,,,,142695,26647,1
H,1,DSS,methyl protons,,,,,ppm,0.0,na,direct,1,,,,,,,,,,142695,26647,1
N,15,na,nitrogen,,,,,ppm,0.0,na,indirect,0.1013291,,,,,,,,,,142695,26647,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142710,26648,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142710,26648,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142710,26648,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,142724,26649,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,142724,26649,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,142724,26649,1
C,13,TSP,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,142740,26650,1
H,1,TSP,methyl protons,,,,,ppm,0.000,external,direct,1.0000,,,,,,,,,,142740,26650,1
N,15,TSP,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,142740,26650,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142757,26651,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142757,26651,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142757,26651,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142773,26652,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142773,26652,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142773,26652,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142788,26653,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142788,26653,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142788,26653,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142802,26654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142802,26654,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142802,26654,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142816,26655,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142816,26655,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142816,26655,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,142816,26655,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142832,26656,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142832,26656,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142832,26656,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,142832,26656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142849,26657,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142849,26657,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142849,26657,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142867,26658,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142867,26658,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142867,26658,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142884,26659,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,142884,26659,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142884,26659,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142904,26660,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,142904,26660,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142904,26660,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142922,26661,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,142922,26661,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142922,26661,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142939,26662,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142939,26662,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142939,26662,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142955,26663,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142955,26663,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142955,26663,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,142969,26664,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,142969,26664,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,142969,26664,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143020,26672,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143020,26672,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143020,26672,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143036,26674,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143036,26674,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143036,26674,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143052,26675,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143068,26676,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143068,26676,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143068,26676,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143085,26677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143085,26677,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143085,26677,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,143100,26678,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,143100,26678,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,143100,26678,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,143116,26679,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143116,26679,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143116,26679,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,143134,26680,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143134,26680,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143134,26680,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143148,26681,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143148,26681,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143148,26681,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143162,26682,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143162,26682,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143176,26683,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143176,26683,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25,,,,,,,,,,143192,26684,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,143192,26684,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,0.1,,,,,,,,,,143192,26684,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143208,26685,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143208,26685,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143224,26686,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143224,26686,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143239,26687,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143239,26687,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143239,26687,1
C,13,water,protons,,,,,ppm,41.599,na,indirect,0.251449530,,,,,,,,,,143260,26688,1
H,1,water,protons,,,,,ppm,4.639,internal,direct,1,,,,,,,,,,143260,26688,1
N,15,water,protons,,,,,ppm,117.940,na,indirect,0.101329118,,,,,,,,,,143260,26688,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143279,26690,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143279,26690,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143279,26690,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143296,26691,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143296,26691,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143296,26691,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143311,26692,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143311,26692,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143328,26693,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143328,26693,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143328,26693,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143349,26694,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143349,26694,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143349,26694,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143368,26695,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143368,26695,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143368,26695,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143382,26697,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143382,26697,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143382,26697,1
C,13,water,protons,,,,,ppm,46,internal,indirect,0.251449530,,,,,,,,,,143398,26698,1
H,1,water,protons,,,,,ppm,4.758,internal,direct,1.0,,,,,,,,,,143398,26698,1
N,15,water,protons,,,,,ppm,120,internal,indirect,0.101329118,,,,,,,,,,143398,26698,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,143413,26700,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,143413,26700,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,143428,26701,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,143428,26701,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143448,26702,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143448,26702,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143448,26702,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143467,26703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143467,26703,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143467,26703,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143481,26705,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143481,26705,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143481,26705,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,143499,26706,1
N,15,NH3 (liquid),nitrogen,,,,,ppm,0,external,indirect,0.101329120,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,143499,26706,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143514,26708,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143514,26708,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143514,26708,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143529,26709,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143529,26709,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143529,26709,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143742,26715,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143742,26715,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,magic angle,,,,,,,143762,26716,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,magic angle,,,,,,,143762,26716,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,magic angle,,,,,,,143762,26716,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,143782,26717,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,143782,26717,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,143782,26717,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,143797,26718,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,143797,26718,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,143797,26718,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.2514,,,,,,,,,,143811,26719,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,143811,26719,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013,,,,,,,,,,143811,26719,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144,,,,,,,,,,143825,26720,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,143825,26720,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1013,,,,,,,,,,143825,26720,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143845,26721,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143845,26721,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143845,26721,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143863,26722,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143863,26722,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143863,26722,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,143883,26723,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,143883,26723,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,143883,26723,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,143908,26724,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,143908,26724,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,143908,26724,1
C,13,water,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,143925,26725,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,143925,26725,1
N,15,water,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,143925,26725,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,143943,26726,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,143943,26726,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,143943,26726,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,143959,26727,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,143959,26727,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,143959,26727,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,143973,26728,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,143973,26728,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,143973,26728,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,143987,26730,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,143987,26730,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,143987,26730,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144003,26731,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144003,26731,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144003,26731,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144022,26732,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144022,26732,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144039,26733,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144039,26733,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144039,26733,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144054,26734,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144054,26734,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144054,26734,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144069,26735,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144069,26735,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144069,26735,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144953,,,,,,,,,,144085,26738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,144085,26738,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144085,26738,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,1,,,,,,,,,,144100,26739,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,144100,26739,1
C,13,DSS,methyl protons,,,,,ppm,4.7,na,indirect,0.251449519,,,,,,,,,,144115,26740,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,144115,26740,1
N,15,[15N] nitric acid,protons,,,,,ppm,4.7,na,indirect,0.101329112,,,,,,,,,,144115,26740,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144137,26741,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144137,26741,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144137,26741,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144162,26742,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144162,26742,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144162,26742,1
C,13,water,protons,,,,,ppm,88.765,internal,indirect,3.976608,,,,,,,,,,144182,26743,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,144182,26743,1
N,15,water,protons,,,,,ppm,120.150,internal,indirect,9.867660,,,,,,,,,,144182,26743,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144203,26744,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144203,26744,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144203,26744,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144218,26745,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144218,26745,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144218,26745,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144234,26746,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144234,26746,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144234,26746,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144253,26748,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144253,26748,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144253,26748,1
C,13,DSS,protons,,,,,ppm,4.68,external,indirect,0.25144953,,,,,,,,,,144273,26750,1
H,1,water,protons,,,,,ppm,4.68,internal,indirect,1.0,,,,,,,,,,144273,26750,1
N,15,DSS,protons,,,,,ppm,4.68,external,indirect,0.10136226982,,,,,,,,,,144273,26750,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144292,26751,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144292,26751,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144292,26751,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144309,26752,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144309,26752,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144309,26752,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144327,26753,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144327,26753,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144327,26753,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144344,26754,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144344,26754,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144344,26754,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144359,26755,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144359,26755,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144359,26755,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,144381,26756,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,144381,26756,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,144381,26756,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,144403,26757,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,144403,26757,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,144403,26757,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144421,26758,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144421,26758,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144421,26758,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144439,26759,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,144439,26759,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144439,26759,1
C,13,DSS,methyl protons,,,,,ppm,2.6,internal,indirect,0.25,,,,,,,,,,144454,26760,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,144454,26760,1
N,15,DSS,methyl protons,,,,,ppm,0.1,internal,indirect,0.1,,,,,,,,,,144454,26760,1
C,13,na,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,144469,26761,1
H,1,na,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,144469,26761,1
N,15,na,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,144469,26761,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144484,26762,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144484,26762,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144484,26762,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,144501,26763,1
H,1,water,protons,,,,,ppm,4.66,internal,direct,1,,,,,,,,,,144501,26763,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,144501,26763,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144515,26764,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.000000000,,,,,,,,,,144515,26764,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144515,26764,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144531,26765,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144531,26765,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144531,26765,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,144556,26766,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,144556,26766,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,144556,26766,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,144571,26767,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,144571,26767,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,144571,26767,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144586,26768,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144586,26768,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144586,26768,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144604,26769,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144604,26769,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144604,26769,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.25,,,,,,,,,,144620,26770,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,144620,26770,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.10,,,,,,,,,,144620,26770,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144637,26771,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144637,26771,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144637,26771,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144653,26772,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144653,26772,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144653,26772,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144669,26773,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144669,26773,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144669,26773,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144683,26774,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144683,26774,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144683,26774,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,144683,26774,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144704,26775,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144704,26775,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144704,26775,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144726,26776,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,144726,26776,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144726,26776,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144748,26777,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,144748,26777,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144748,26777,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144767,26778,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,144767,26778,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144767,26778,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144786,26779,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144786,26779,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144786,26779,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144809,26780,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144809,26780,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144809,26780,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144826,26782,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144826,26782,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144826,26782,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,144841,26783,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,144841,26783,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,144841,26783,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144856,26784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,144856,26784,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144856,26784,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144871,26785,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,144871,26785,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144871,26785,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144888,26786,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144888,26786,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144888,26786,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144908,26787,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144908,26787,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144908,26787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144928,26788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144928,26788,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144928,26788,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,144946,26789,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00,,,,,,,,,,144946,26789,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,144946,26789,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,144963,26790,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,144988,26791,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,144988,26791,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,144988,26791,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145016,26792,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145016,26792,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145016,26792,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145030,26793,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145030,26793,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145030,26793,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145049,26794,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145068,26795,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145087,26796,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145106,26797,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145125,26798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145144,26799,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145160,26800,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145160,26800,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145160,26800,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145177,26801,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145177,26801,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145177,26801,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251,,,,,,,,,,145195,26802,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145195,26802,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101,,,,,,,,,,145195,26802,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145216,26803,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145216,26803,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145216,26803,1
H,1,TSP,methylene protons,,,,,ppm,1.0,internal,direct,1.0,,,,,,,,,,145231,26804,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145231,26804,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145250,26805,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145250,26805,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145250,26805,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,145250,26805,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145267,26806,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,145267,26806,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145267,26806,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145286,26807,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145286,26807,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145286,26807,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145307,26808,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145307,26808,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145307,26808,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,145322,26809,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145322,26809,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,145322,26809,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251,,,,,,,,,,145341,26810,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,145341,26810,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101,,,,,,,,,,145341,26810,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145355,26811,1
C,13,glycine,carbonyl,,,,,ppm,176.46,external,direct,1,,,,,,,,,,145373,26812,1
C,13,glycine,carbonyl,,,,,ppm,176.46,external,direct,1,,,,,,,,,,145389,26813,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145406,26814,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145406,26814,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145406,26814,1
C,13,water,protons,,,,,ppm,4.81,na,indirect,0.2514642,,,,,,,,,,145431,26815,1
H,1,water,protons,,,,,ppm,4.81,internal,direct,1.0,,,,,,,,,,145431,26815,1
N,15,water,protons,,,,,ppm,4.81,na,indirect,0.10134,,,,,,,,,,145431,26815,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145446,26816,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145446,26816,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145446,26816,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,145446,26816,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,145463,26818,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,145463,26818,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,145463,26818,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,145480,26819,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,,,,,,,145480,26819,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,145480,26819,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.2514,,,,,,,,,,145495,26820,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,145495,26820,1
N,15,water,protons,,,,,ppm,4.773,,indirect,0.1013,,,,,,,,,,145495,26820,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,145514,26821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145514,26821,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,145514,26821,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145528,26822,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145528,26822,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145528,26822,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145547,26823,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145547,26823,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145547,26823,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.2514,,,,,,,,,,145570,26824,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1,,,,,,,,,,145570,26824,1
N,15,water,protons,,,,,ppm,4.773,,indirect,0.1013,,,,,,,,,,145570,26824,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.2514,,,,,,,,,,145586,26825,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1,,,,,,,,,,145586,26825,1
N,15,water,protons,,,,,ppm,4.773,,indirect,0.1013,,,,,,,,,,145586,26825,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145605,26826,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145605,26826,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145605,26826,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145623,26827,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145623,26827,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145623,26827,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145641,26828,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145641,26828,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145641,26828,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145659,26829,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145659,26829,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145659,26829,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145677,26830,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145677,26830,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145677,26830,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145695,26831,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145695,26831,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145695,26831,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145712,26832,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145712,26832,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145712,26832,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145727,26833,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145727,26833,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145727,26833,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,145741,26834,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1,,,,,,,,,,145741,26834,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,145741,26834,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145758,26835,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145758,26835,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145758,26835,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145775,26836,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145775,26836,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145775,26836,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145792,26837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145792,26837,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145792,26837,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145811,26838,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145811,26838,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145811,26838,1
C,13,DSS,methyl protons,,,,,ppm,2.7,external,indirect,0.251449530,,,,,,,,,,145825,26839,1
H,1,DSS,methyl protons,,,,,ppm,0.05,external,direct,1.000000000,,,,,,,,,,145825,26839,1
N,15,DSS,methyl protons,,,,,ppm,0.07,external,indirect,0.101329118,,,,,,,,,,145825,26839,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,145843,26840,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,145843,26840,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,145843,26840,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145860,26841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145860,26841,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145860,26841,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.2514,,,,,,,,,,145886,26842,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,145886,26842,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.1013,,,,,,,,,,145886,26842,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449519,,,,,,,,,,145903,26843,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,145903,26843,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,145903,26843,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,145921,26844,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,145921,26844,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,145921,26844,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,145960,26846,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,145960,26846,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,145960,26846,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,145979,26847,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,145979,26847,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,145979,26847,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,145979,26847,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146001,26848,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146001,26848,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146001,26848,1
C,13,water,protons,,,,,ppm,177.28,internal,indirect,0.25,,,,,,,,,,146016,26849,1
H,1,water,protons,,,,,ppm,4.594,internal,direct,1.0,,,,,,,,,,146016,26849,1
N,15,water,protons,,,,,ppm,117.96,internal,indirect,0.10,,,,,,,,,,146016,26849,1
C,13,water,protons,,,,,ppm,46.12,internal,indirect,0.25,,,,,,,,,,146032,26850,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,146032,26850,1
N,15,water,protons,,,,,ppm,121.14,internal,indirect,0.10,,,,,,,,,,146032,26850,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146055,26851,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146055,26851,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146055,26851,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146069,26852,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146069,26852,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146069,26852,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,146084,26853,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1,,,,,,,,,,146084,26853,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,146084,26853,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146102,26854,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146102,26854,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146102,26854,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146118,26855,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146118,26855,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146118,26855,1
C,13,DSS,carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146132,26857,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146132,26857,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,146132,26857,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146149,26858,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146149,26858,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146149,26858,1
C,13,TMS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,146164,26860,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,146164,26860,1
N,15,TMS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,146164,26860,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146188,26861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146188,26861,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146188,26861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146205,26862,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,146222,26863,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146222,26863,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,146222,26863,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,146238,26864,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146238,26864,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,146238,26864,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,146253,26866,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146253,26866,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,146253,26866,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,146275,26867,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,146275,26867,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,146275,26867,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146293,26870,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146293,26870,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146293,26870,1
C,13,water,protons,,,,,ppm,56.497,na,indirect,0.251449530,,,,,,,,,,146307,26871,1
H,1,water,protons,,,,,ppm,4.53,internal,direct,1,,,,,,,,,,146307,26871,1
N,15,water,protons,,,,,ppm,119.14,na,indirect,0.101329118,,,,,,,,,,146307,26871,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,146322,26873,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146322,26873,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,146322,26873,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,146338,26874,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146355,26875,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146355,26875,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146355,26875,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146372,26876,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146372,26876,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146372,26876,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146388,26877,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146388,26877,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146388,26877,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146405,26878,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146405,26878,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146405,26878,1
C,13,adamantane,alkane carbons,,,,,ppm,40.48,external,direct,1.0,in a separate rotor,,,,,,,,,146422,26879,1
N,15,adamantane,alkane carbons,,,,,ppm,40.48,external,indirect,0.403,in a separate rotor,,,,,,,,,146422,26879,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146438,26880,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146438,26880,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146438,26880,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146452,26881,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146452,26881,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146466,26882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146481,26883,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146481,26883,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146497,26884,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146497,26884,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146497,26884,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,146513,26885,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,146513,26885,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,146513,26885,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,146529,26886,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,146529,26886,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,146529,26886,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,146544,26887,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146544,26887,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,146544,26887,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,146559,26888,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146559,26888,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,146559,26888,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146575,26889,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146575,26889,1
C,13,adamantane,methylene carbons,,,,,ppm,40.48,external,direct,1.0,,,,,,,,,,146590,26890,1
N,15,adamantane,methylene carbons,,,,,ppm,40.48,external,indirect,0.101329118,,,,,,,,,,146590,26890,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146631,26893,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146631,26893,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146631,26893,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146646,26894,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146646,26894,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146646,26894,1
C,13,water,protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,146661,26901,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,146661,26901,1
N,15,water,protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,146661,26901,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146676,26902,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146676,26902,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146676,26902,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146691,26903,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146691,26903,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146691,26903,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146706,26904,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146706,26904,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146706,26904,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146722,26905,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146722,26905,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146722,26905,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146738,26906,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146738,26906,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146738,26906,1
C,13,water,protons,,,,,ppm,4.782,internal,indirect,0.251449530,,,,,,,,,,146753,26907,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1,,,,,,,,,,146753,26907,1
N,15,water,protons,,,,,ppm,4.782,internal,indirect,0.101329118,,,,,,,,,,146753,26907,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146769,26908,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146769,26908,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146769,26908,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146786,26909,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146786,26909,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146786,26909,1
C,13,adamantane,methylene carbon,,,,,ppm,40.48,external,indirect,1,,,,,,,,,,146800,26910,1
N,15,ammonium chloride,nitrogen,,,,,ppm,39.27,external,indirect,1,,,,,,,,,,146800,26910,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,146818,26912,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,146818,26912,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,146818,26912,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146837,26913,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146837,26913,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146837,26913,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,146856,26914,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146856,26914,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,146870,26915,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,146870,26915,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,152912,27306,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329,,,,,,,,,,146870,26915,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146889,26916,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146889,26916,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146889,26916,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146912,26919,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146912,26919,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146912,26919,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146927,26920,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146927,26920,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146927,26920,1
C,13,water,protons,,,,,ppm,45.907,internal,indirect,0.251449530,,,,,,,,,,146942,26921,1
H,1,water,protons,,,,,ppm,4.945,internal,direct,1.000000000,,,,,,,,,,146942,26921,1
N,15,water,protons,,,,,ppm,120.25,internal,indirect,0.101329118,,,,,,,,,,146942,26921,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,146958,26922,1
H,1,water,protons,,,,,ppm,4.770,internal,direct,1,,,,,,,,,,146958,26922,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,146958,26922,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,146977,26923,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,146977,26923,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,146977,26923,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,146995,26924,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,146995,26924,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,147013,26925,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,147013,26925,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,147031,26926,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,147031,26926,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,147048,26927,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,147048,26927,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,147048,26927,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,147065,26928,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,147065,26928,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,147065,26928,1
C,13,acetate,methyl carbon,,,,,ppm,26.1,external,direct,1.0,,,,,,,,,,147085,26929,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,147085,26929,1
N,15,urea,nitrogen,,,,,ppm,77.6,external,direct,1.0,,,,,,,,,,147085,26929,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147099,26932,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147099,26932,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147099,26932,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,147116,26933,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147116,26933,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,147116,26933,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147139,26934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147139,26934,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147139,26934,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147156,26935,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,147156,26935,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147156,26935,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,147172,26936,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,147172,26936,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,147172,26936,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,147188,26937,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,147188,26937,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,147188,26937,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,147202,26938,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,147216,26939,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,147236,26940,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,147236,26940,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,147236,26940,1
C,13,Indirectly Referenced,methyl carbon,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,147251,26942,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,147251,26942,1
N,15,Indirectly referenced,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,147251,26942,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,147269,26943,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,147269,26943,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.10132918,,,,,,,,,,147269,26943,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,147286,26944,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,147286,26944,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,147286,26944,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147302,26945,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147302,26945,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147302,26945,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,147320,26946,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147320,26946,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,158555,27668,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147338,26947,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147338,26947,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147338,26947,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,147352,26948,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,147352,26948,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,147352,26948,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147366,26949,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147366,26949,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147366,26949,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147382,26951,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147382,26951,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147382,26951,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147403,26953,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1,,,,,,,,,,147403,26953,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147403,26953,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147417,26954,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147417,26954,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147417,26954,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147432,26955,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147432,26955,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147432,26955,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,147451,26956,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147451,26956,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,147465,26957,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,147465,26957,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147480,26958,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147480,26958,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147480,26958,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147502,26959,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147502,26959,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147524,26960,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147524,26960,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147524,26960,1
C,13,water,protons,,,,,ppm,4.96,na,indirect,0.744,,,,,,,,,,147539,26961,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1,,,,,,,,,,147539,26961,1
N,15,water,protons,,,,,ppm,4.96,na,indirect,0.141,,,,,,,,,,147539,26961,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147557,26962,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147557,26962,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147557,26962,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,147557,26962,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147575,26963,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147575,26963,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147575,26963,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147603,26964,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147603,26964,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147603,26964,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147619,26965,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147619,26965,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147619,26965,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,147634,26966,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,147634,26966,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,147634,26966,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,In the sample,,,,,,,,,147651,26967,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,In the sample,,,,,,,,,147651,26967,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,in the sample,,,,,,,,,147651,26967,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,In the sample,,,,,,,,,147668,26968,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,In the sample,,,,,,,,,147668,26968,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,In the sample,,,,,,,,,147668,26968,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147685,26969,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147685,26969,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147685,26969,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147699,26970,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147699,26970,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147699,26970,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147715,26971,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147715,26971,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147715,26971,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,147730,26972,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,147730,26972,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.101329118,,,,,,,,,,147730,26972,1
C,13,water,carbon,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,147750,26973,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.00,,,,,,,,,,147750,26973,1
N,15,water,nitrogen,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,147750,26973,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147764,26974,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147764,26974,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147764,26974,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147781,26975,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147781,26975,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147799,26976,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147799,26976,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147820,26977,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147820,26977,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147820,26977,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147837,26978,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147837,26978,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147837,26978,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144953,,,,,,,,,,147854,26979,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147854,26979,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147854,26979,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144953,,,,,,,,,,147871,26980,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147871,26980,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147871,26980,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144953,,,,,,,,,,147887,26981,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147887,26981,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147887,26981,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147905,26982,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147905,26982,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147905,26982,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,147924,26983,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147924,26983,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147924,26983,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.25144953,,,,,,,,,,147943,26984,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,147943,26984,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,147943,26984,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,,,,,,,,,,147959,26985,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,147959,26985,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,147959,26985,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,147974,26986,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,147974,26986,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,147974,26986,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,147991,26990,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,147991,26990,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,cylindrical,parallel,,,,,,,147991,26990,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148008,26991,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148008,26991,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148008,26991,1
C,13,TMS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148028,26992,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148028,26992,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148028,26992,1
C,13,TSP,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148047,26993,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148047,26993,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148047,26993,1
C,13,water,protons,,,,,ppm,1,internal,indirect,0.251449530,,,,,,,,,,148061,26994,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,148061,26994,1
N,15,water,protons,,,,,ppm,1,internal,indirect,0.101329118,,,,,,,,,,148061,26994,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148077,26995,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148077,26995,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148077,26995,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148096,26996,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148096,26996,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148096,26996,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148112,26997,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148112,26997,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148112,26997,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1,,,,,,,,,,148128,26998,1
N,15,urea,protons,,,,,ppm,78.98,external,direct,1,,,,,,,,,,148128,26998,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,148145,26999,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148145,26999,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,148159,27,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,148175,27000,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148175,27000,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,148191,27001,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148191,27001,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148207,27002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148207,27002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148207,27002,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251,,,,,,,,,,148222,27003,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,148222,27003,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101,,,,,,,,,,148222,27003,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,148240,27004,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148240,27004,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,148258,27005,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148258,27005,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,148276,27007,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148276,27007,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,148294,27008,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148294,27008,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,148312,27010,1
N,15,TMSP,methyl protons,,,,,ppm,118,internal,indirect,0.101329118,,,,,,,,,,148312,27010,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148356,27012,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148356,27012,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148356,27012,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148372,27013,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148372,27013,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148372,27013,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148388,27014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148388,27014,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148388,27014,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148404,27015,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148404,27015,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148404,27015,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148419,27016,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148419,27016,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148419,27016,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,148443,27017,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,148443,27017,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,148443,27017,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,148460,27019,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,148460,27019,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,148460,27019,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,148477,27020,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148500,27022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148500,27022,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148500,27022,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148517,27023,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148517,27023,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148517,27023,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148534,27024,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148534,27024,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148534,27024,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148551,27025,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148551,27025,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148551,27025,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148568,27026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148568,27026,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148568,27026,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148582,27027,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148582,27027,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148582,27027,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148606,27028,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148606,27028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148627,27030,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148627,27030,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148627,27030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148642,27031,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148642,27031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148642,27031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148658,27032,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148658,27032,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148658,27032,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148673,27033,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148673,27033,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148673,27033,1
C,13,TMS,methyl carbons,,,,,ppm,0,internal,indirect,0.25145020,,,,,,,,,,148688,27034,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,148688,27034,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,148688,27034,1
N,15,na,nitrogen,,,,,ppm,0,external,indirect,1,,,,,,,,,,161904,27887,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148702,27035,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148702,27035,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148702,27035,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148721,27036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148721,27036,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148721,27036,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148743,27037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148743,27037,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148743,27037,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148764,27038,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148764,27038,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148764,27038,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148778,27039,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148778,27039,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148792,27040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148792,27040,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148792,27040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148812,27041,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,148829,27043,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,148829,27043,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,148829,27043,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148846,27044,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148846,27044,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148846,27044,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148864,27045,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148864,27045,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,148879,27046,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,148879,27046,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,148879,27046,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1,,,,,,,,,,148895,27047,1
N,15,urea,protons,,,,,ppm,78.98,external,direct,1,,,,,,,,,,148895,27047,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251,,,,,,,,,,148914,27048,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,1.000,,,,,,,,,,148914,27048,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101,,,,,,,,,,148914,27048,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514502,,,,,,,,,,148936,27049,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,148936,27049,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013,,,,,,,,,,148936,27049,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514502,,,,,,,,,,148958,27050,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,148958,27050,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.1013,,,,,,,,,,148958,27050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148973,27051,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148973,27051,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148973,27051,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,148992,27052,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,148992,27052,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,148992,27052,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,indirect,1.000000000,,,,,,,,,,149007,27053,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149025,27055,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149025,27055,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149025,27055,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149041,27056,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149041,27056,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149041,27056,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,149057,27057,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,149057,27057,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,149057,27057,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149073,27058,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149073,27058,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149073,27058,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149091,27060,1
C,13,DSS,methyl protons,,,,,ppm,0.07,internal,indirect,0.251449530,,,,,,,,,,149108,27061,1
H,1,DSS,methyl protons,,,,,ppm,0.07,internal,direct,1,,,,,,,,,,149108,27061,1
N,15,DSS,methyl protons,,,,,ppm,0.07,internal,indirect,0.101329118,,,,,,,,,,149108,27061,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149125,27062,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149125,27062,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149125,27062,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,na,indirect,1.0,,,,,,,,,,149141,27063,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,149141,27063,1
N,15,DSS,nitrogen,,,,,ppm,0.00,na,indirect,1.0,,,,,,,,,,149141,27063,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,149159,27064,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149159,27064,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,149159,27064,1
C,13,MLF,methyl carbon,,,,,ppm,54.4,external,direct,1,,,,,,,,,,149173,27065,1
N,15,MLF,nitrogen,,,,,ppm,116.2,external,direct,1,,,,,,,,,,149173,27065,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,149189,27066,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,149189,27066,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,149189,27066,1
C,13,water,protons,,,,,ppm,4.700,internal,indirect,0.251449530,,,,,,,,,,149206,27067,1
H,1,water,protons,,,,,ppm,4.700,internal,direct,1.000000000,,,,,,,,,,149206,27067,1
N,15,water,protons,,,,,ppm,4.700,internal,indirect,0.101329118,,,,,,,,,,149206,27067,1
C,13,water,protons,,,,,ppm,4.74,internal,indirect,0.25144953,,,,,,,,,,149223,27069,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,,,,,,,149223,27069,1
N,15,water,protons,,,,,ppm,4.74,internal,indirect,0.101329118,,,,,,,,,,149223,27069,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,149236,2707,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,149252,27070,1
H,1,water,protons,,,,,ppm,4.759,internal,direct,1,,,,,,,,,,149252,27070,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,149252,27070,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,149268,27071,1
H,1,water,protons,,,,,ppm,4.759,internal,direct,1,,,,,,,,,,149268,27071,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,149268,27071,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1.000000000,,,,,,,,,,149284,27072,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,149284,27072,1
C,13,TMSPA,methyl carbon,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,149313,27073,1
H,1,TMSPA,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,149313,27073,1
H,1,DSS,methyl protons,,,,,ppm,4.931,internal,direct,1,,,,,,,,,,149328,27074,1
N,15,DSS,methyl protons,,,,,ppm,118.56,internal,indirect,0.101329118,,,,,,,,,,149328,27074,1
H,1,DSS,methyl protons,,,,,ppm,4.931,internal,indirect,1,,,,,,,,,,149344,27075,1
N,15,DSS,methyl protons,,,,,ppm,118.56,internal,indirect,0.101329118,,,,,,,,,,149344,27075,1
H,1,DSS,methyl protons,,,,,ppm,4.931,internal,indirect,1,,,,,,,,,,149359,27076,1
N,15,DSS,methyl protons,,,,,ppm,118.56,internal,indirect,0.101329118,,,,,,,,,,149359,27076,1
H,1,DSS,methyl protons,,,,,ppm,4.931,internal,indirect,1,,,,,,,,,,149375,27077,1
N,15,DSS,methyl protons,,,,,ppm,118.56,internal,indirect,0.101329118,,,,,,,,,,149375,27077,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,149401,27078,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,149401,27078,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,149401,27078,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149422,27079,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149422,27079,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149422,27079,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,149436,2708,1
C,13,TRIS,methyl carbon,,,,,ppm,57.5,internal,direct,1,,,,,,,,,,149451,27080,1
H,1,water,protons,,,,,ppm,4.828,internal,direct,1,,,,,,,,,,149451,27080,1
N,15,TRIS,nitrogen,,,,,ppm,124.4,internal,direct,1,,,,,,,,,,149451,27080,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149467,27081,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149467,27081,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149467,27081,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,0,,,149484,27082,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,0,,,149484,27082,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,0,,,149484,27082,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,0,,,149503,27083,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,0,,,149503,27083,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,0,,,149503,27083,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149520,27084,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149535,27085,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149535,27085,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.251449530,,,,,,,,,,149561,27086,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,149561,27086,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,149561,27086,1
C,13,water,protons,,,,,ppm,4.74,internal,indirect,0.25144,,,,,,,,,,149579,27087,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,,,,,,,149579,27087,1
N,15,water,protons,,,,,ppm,4.74,internal,indirect,0.1013,,,,,,,,,,149579,27087,1
C,13,na,methyl carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,149593,27088,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,149593,27088,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,149593,27088,1
C,13,na,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,149609,27089,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,149609,27089,1
N,15,na,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,149609,27089,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,149624,2709,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149643,27090,1
H,1,water,protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149643,27090,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149643,27090,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149662,27091,1
H,1,water,protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149662,27091,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149662,27091,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.2514,,,,,,,,,,149679,27092,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,149679,27092,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149696,27093,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149696,27093,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149696,27093,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,149713,27094,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,149713,27094,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,149713,27094,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,149731,27095,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,149731,27095,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,149731,27095,1
H,1,water,protons,,,,,ppm,4.683,internal,direct,1.0,,,,,,,,,,149748,27096,1
N,15,water,nitrogen,,,,,ppm,4.683,internal,indirect,0.101329118,,,,,,,,,,149748,27096,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149769,27097,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149769,27097,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149769,27097,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149788,27098,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149788,27098,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149788,27098,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149803,27099,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149803,27099,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149803,27099,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,149816,2710,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149831,27104,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149831,27104,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149831,27104,1
C,13,water,protons,,,,,ppm,4.821,internal,indirect,0.251449530,,,,,,,,,,149846,27106,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1.0,,,,,,,,,,149846,27106,1
N,15,water,protons,,,,,ppm,4.821,internal,indirect,0.101329118,,,,,,,,,,149846,27106,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149860,27108,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149860,27108,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149860,27108,1
H,1,DSS,methyl protons,,,,,ppm,-0.075,internal,direct,1.000000000,,,,,,,,,,149875,27109,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,149888,2711,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149905,27110,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149905,27110,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149905,27110,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149925,27111,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149925,27111,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149925,27111,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,149941,27112,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,149941,27112,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,149941,27112,1
C,13,apo-form dFABP,methyl carbon,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,149955,27113,1
H,1,apo-form dFABP,protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,149955,27113,1
N,15,apo-form dFABP,nitrogen,,,,,ppm,0,internal,indirect,0.1,,,,,,,,,,149955,27113,1
C,13,water,protons,,,,,ppm,52.86,internal,indirect,0.251449519,,,,,,,,,,149970,27119,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1.0,,,,,,,,,,149970,27119,1
N,15,water,protons,,,,,ppm,120.14,internal,indirect,0.101329112,,,,,,,,,,149970,27119,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,149983,2712,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,149998,27120,1
H,1,water,protons,,,,,ppm,4.878,internal,direct,1.000000000,,,,,,,,,,149998,27120,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,149998,27120,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150013,27121,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150013,27121,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150013,27121,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150030,27122,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150030,27122,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150030,27122,1
C,13,na,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,150045,27123,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,150045,27123,1
N,15,na,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,150045,27123,1
C,13,na,protons,,,,,ppm,0.00,na,indirect,,,,,,,,,,,150060,27124,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,150060,27124,1
N,15,na,protons,,,,,ppm,0.00,na,indirect,,,,,,,,,,,150060,27124,1
C,13,na,protons,,,,,ppm,0.00,na,indirect,1.0,,,,,,,,,,150075,27125,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,150075,27125,1
N,15,na,protons,,,,,ppm,0.00,na,indirect,1.0,,,,,,,,,,150075,27125,1
C,13,water,protons,,,,,ppm,52.86,internal,direct,0.251449519,,,,,,,,,,150091,27126,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,150091,27126,1
N,15,water,protons,,,,,ppm,120.14,internal,direct,0.101329112,,,,,,,,,,150091,27126,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,150107,27127,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,150107,27127,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,150107,27127,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150121,27128,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150121,27128,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150121,27128,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,150121,27128,1
C,13,TSP,protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,150136,27129,1
H,1,TSP,protons,,,,,ppm,0.00,external,direct,1.00,,,,,,,,,,150136,27129,1
N,15,TSP,protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,150136,27129,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150154,27130,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150154,27130,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150154,27130,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150172,27131,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150172,27131,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150172,27131,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.25144953,,,,,,,,,,150194,27133,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,150194,27133,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.101329118,,,,,,,,,,150194,27133,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.251449530,,,,,,,,,,150214,27134,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,external,direct,1,,,,,,,,,,150214,27134,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.101329118,,,,,,,,,,150214,27134,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,150237,27135,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,150237,27135,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,150237,27135,1
C,13,TSP,protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,150253,27136,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1.00,,,,,,,,,,150253,27136,1
N,15,TSP,protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,150253,27136,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,150268,27137,1
H,1,water,protons,,,,,ppm,4.771,internal,direct,1,,,,,,,,,,150268,27137,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,150268,27137,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,150283,27138,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1,,,,,,,,,,150283,27138,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,150283,27138,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,150298,27139,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,150298,27139,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,150298,27139,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,150331,27141,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,150331,27141,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,0.101329118,,,,,,,,,,150331,27141,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,150348,27142,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,150348,27142,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,150348,27142,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,150372,27143,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,150372,27143,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,150372,27143,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150405,27144,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150420,27145,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150420,27145,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150420,27145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150445,27146,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150445,27146,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150445,27146,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,150463,27147,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,150463,27147,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,150463,27147,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,150481,27148,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,150481,27148,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,150481,27148,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150502,27151,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150502,27151,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150502,27151,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,150519,27152,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,150519,27152,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,150519,27152,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,150536,27153,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,150536,27153,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,150536,27153,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,150553,27154,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,150553,27154,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,150553,27154,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,150569,27155,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,150569,27155,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,150569,27155,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,150585,27156,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,150585,27156,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,150585,27156,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,150601,27157,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,150601,27157,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,150601,27157,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150618,27158,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150618,27158,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150618,27158,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150634,27159,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150634,27159,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150634,27159,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150650,27160,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150650,27160,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150650,27160,1
C,13,water,protons,,,,,ppm,45.98075683,internal,indirect,0.25144953,,,,,,,,,,150667,27161,1
H,1,water,protons,,,,,ppm,5.018,internal,direct,1,,,,,,,,,,150667,27161,1
N,15,water,protons,,,,,ppm,119.833635,internal,indirect,0.101329118,,,,,,,,,,150667,27161,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150681,27162,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000,,,,,,,,,,150681,27162,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150681,27162,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,150699,27165,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,150699,27165,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,150699,27165,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150715,27166,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150715,27166,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150715,27166,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,150738,27167,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,150738,27167,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,150738,27167,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,150757,27168,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,150757,27168,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,150757,27168,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150771,27169,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150771,27169,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150771,27169,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150785,27170,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150785,27170,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150785,27170,1
C,13,TMS,protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,150827,27172,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.000000000,,,,,,,,,,150827,27172,1
N,15,TMS,protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,150827,27172,1
C,13,water,protons,,,,,,,,,,,,,,,,,,,150843,27173,1
H,1,water,protons,,,,,,,,,1,,,,,,,,,,150843,27173,1
N,15,water,protons,,,,,,,,,,,,,,,,,,,150843,27173,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150862,27174,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150862,27174,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150862,27174,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,150862,27174,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150879,27175,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150879,27175,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150879,27175,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,150879,27175,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150893,27176,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150893,27176,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150893,27176,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150907,27177,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150907,27177,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150907,27177,1
C,13,water,protons,,,,,ppm,4.689,internal,indirect,0.251441530,,,,,,,,,,150924,27179,1
H,1,water,protons,,,,,ppm,4.689,internal,direct,1,,,,,,,,,,150924,27179,1
N,15,water,protons,,,,,ppm,4.689,internal,indirect,0.101329118,,,,,,,,,,150924,27179,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,150943,2718,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150961,27180,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150961,27180,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150961,27180,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150975,27183,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150975,27183,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150975,27183,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,150990,27184,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,150990,27184,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,150990,27184,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151006,27185,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151006,27185,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151006,27185,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1.0,,,,,,,,,,151020,27186,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,151035,27187,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,.25144953,,,,,,,,,,151049,27188,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,151049,27188,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,.101329118,,,,,,,,,,151049,27188,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,151064,27189,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,151064,27189,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,151064,27189,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,151077,2719,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,151094,27190,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,151094,27190,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,151094,27190,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151111,27191,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151111,27191,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151111,27191,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,151128,27192,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151128,27192,1
N,15,DSS,nitrogen,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,151128,27192,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151144,27193,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151144,27193,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151176,27195,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151191,27196,1
C,13,water,protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,151206,27197,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,151206,27197,1
N,15,water,protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,151206,27197,1
C,13,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,151221,27198,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,151221,27198,1
N,15,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,151221,27198,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,151240,27199,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151240,27199,1
C,13,adamantane,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,151254,27201,1
H,1,na,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,151254,27201,1
N,15,adamantane,methyl protons,,,,,ppm,0,external,indirect,0.10132912,,,,,,,,,,151254,27201,1
C,13,na,methyl carbon,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,151269,27202,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,151269,27202,1
C,13,water,protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,151284,27203,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,151284,27203,1
N,15,water,protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,151284,27203,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,151298,27204,1
N,15,water,protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,151298,27204,1
C,13,water,protons,,,,,na,0,na,indirect,,,,,,,,,,,151312,27205,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,151312,27205,1
N,15,water,protons,,,,,na,0,na,indirect,,,,,,,,,,,151312,27205,1
C,13,DSS,methyl protons,,,,,MHz,499.9299512,external,indirect,0.251449530,,,,,,,,,,151329,27206,1
H,1,DSS,methyl protons,,,,,MHz,499.9299512,external,direct,1.000000000,,,,,,,,,,151329,27206,1
N,15,DSS,methyl protons,,,,,MHz,499.9299512,external,indirect,0.101329118,,,,,,,,,,151329,27206,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151345,27207,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151345,27207,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151345,27207,1
H,1,DSS,protons,,,,,ppm,0.214,external,direct,1.0,,,,,,,,,,151362,27208,1
C,13,TMS,N,,,,,ppm,0.000,na,indirect,0.251449530,950,,,,,,,,,151378,27209,1
H,1,TMS,H,,,,,ppm,4.698,external,indirect,1.000000000,950,,,,,,,,,151378,27209,1
N,15,TMS,C,,,,,ppm,0.000,na,indirect,0.101329118,950,,,,,,,,,151378,27209,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151392,27210,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151392,27210,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151392,27210,1
C,13,adamantane,methyl carbon,,,,,ppm,31.47,external,direct,0.25144953,,,,,,,,,,151412,27211,1
H,1,DSS,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,151412,27211,1
N,15,na,na,,,,,na,0,na,indirect,0.10132912,,,,,,,,,,151412,27211,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,151428,27212,1
N,15,NH3 (liquid),nitrogen,,,,,ppm,0,external,indirect,0.101329120,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,151428,27212,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151442,27213,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151442,27213,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151457,27214,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151457,27214,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151474,27215,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151474,27215,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151474,27215,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151492,27216,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151492,27216,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151492,27216,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,151508,27217,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,151508,27217,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,151508,27217,1
H,1,water,protons,,,,,ppm,4.911,internal,direct,1.000000000,,,,,,,,,,151509,27217,2
N,15,water,protons,,,,,ppm,4.911,internal,indirect,0.101329118,,,,,,,,,,151509,27217,2
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,151526,27218,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,151526,27218,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,151526,27218,1
H,1,water,protons,,,,,ppm,4.911,internal,direct,1.000000000,,,,,,,,,,151527,27218,2
N,15,water,protons,,,,,ppm,4.911,internal,indirect,0.101329118,,,,,,,,,,151527,27218,2
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,151543,27219,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,151543,27219,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,151558,27220,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,151558,27220,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,151575,27221,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,151575,27221,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,151575,27221,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151592,27224,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151592,27224,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151592,27224,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151607,27225,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151607,27225,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151607,27225,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151622,27226,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151622,27226,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151622,27226,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151636,27227,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151636,27227,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151652,27228,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151652,27228,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151652,27228,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151667,27229,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151667,27229,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151667,27229,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151681,27230,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151681,27230,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151681,27230,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,151697,27231,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,151697,27231,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,151697,27231,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,151715,27232,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151729,27234,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151729,27234,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151729,27234,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151747,27235,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151747,27235,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151747,27235,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151763,27236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151763,27236,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151763,27236,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,151778,27237,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,151778,27237,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,151778,27237,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,151794,27238,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,151794,27238,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,cylindrical,parallel,,,,,,,151794,27238,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151815,27239,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151815,27239,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151815,27239,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151836,27240,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151836,27240,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151836,27240,1
C,13,glucose,methyl protons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,151850,27241,1
H,1,water,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151850,27241,1
N,15,[15N] ammonium chloride,methyl protons,,,,,ppm,0.00,internal,direct,0.101329118,,,,,,,,,,151850,27241,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151866,27242,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151866,27242,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151866,27242,1
C,13,TSP,protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,151881,27243,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,151881,27243,1
N,15,TSP,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,151881,27243,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,151899,27244,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329120,,,,,,,,,,151899,27244,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151934,27246,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151934,27246,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151934,27246,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151950,27247,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151950,27247,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151950,27247,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151969,27248,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151969,27248,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151969,27248,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,151989,27249,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,151989,27249,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,151989,27249,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.2514,,,,,,,,,,152005,27250,1
H,1,water,protons,,,,,ppm,0.00,na,direct,1.000000000,,,,,,,,,,152005,27250,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101,,,,,,,,,,152005,27250,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.2514,,,,,,,,,,152023,27251,1
H,1,water,protons,,,,,ppm,0.00,na,direct,1.000000000,,,,,,,,,,152023,27251,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101,,,,,,,,,,152023,27251,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152039,27252,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152039,27252,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152039,27252,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152056,27254,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152056,27254,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152056,27254,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152142,27259,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152142,27259,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152142,27259,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,152159,27260,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,152159,27260,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,152159,27260,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,152178,27261,1
H,1,water,methyl protons,,,,,ppm,4.725,internal,direct,1.0,,,,,,,,,,152178,27261,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,152194,27262,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,152194,27262,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,152194,27262,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152210,27263,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152210,27263,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152210,27263,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152224,27264,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152224,27264,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152224,27264,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152239,27265,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152239,27265,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152239,27265,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,152260,27266,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,152260,27266,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,152260,27266,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152274,27267,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152274,27267,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152274,27267,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,152289,27268,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,152289,27268,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,152289,27268,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152307,27269,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152307,27269,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152307,27269,1
C,13,TMSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,152323,27270,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,152323,27270,1
N,15,TMSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,152323,27270,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,152346,27271,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,152346,27271,1
N,15,liquid anhydrous ammonia,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,152346,27271,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152363,27272,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152363,27272,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152363,27272,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,152380,27273,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,152380,27273,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,152380,27273,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,152398,27274,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,152398,27274,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,152398,27274,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152414,27275,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152414,27275,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152414,27275,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152430,27276,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152430,27276,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152430,27276,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152451,27277,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,152451,27277,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152451,27277,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152468,27278,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,152468,27278,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152468,27278,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152486,27279,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,152486,27279,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152486,27279,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152504,27280,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,152504,27280,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152504,27280,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152522,27281,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,152522,27281,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,152522,27281,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,152537,27282,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152537,27282,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,152537,27282,1
C,13,water,protons,,,,,ppm,4.84,internal,direct,,,,,,,,,,,152558,27284,1
H,1,water,protons,,,,,ppm,4.84,internal,direct,1,,,,,,,,,,152558,27284,1
N,15,water,protons,,,,,ppm,4.84,internal,direct,,,,,,,,,,,152558,27284,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,,,,,,,,,,,152580,27285,1
H,1,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,152580,27285,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,,,,,,,,,,,152580,27285,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,,,,,,,,,,,152601,27286,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1,,,,,,,,,,152601,27286,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,,,,,,,,,,,152601,27286,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,152616,27287,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,152616,27287,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,152616,27287,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,152631,27288,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.10132912,,,,,,,,,,152631,27288,1
H,1,water,protons,,,,,ppm,4.6588,internal,direct,1,,,,,,,,,,152651,27289,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152667,27290,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152667,27290,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152667,27290,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152681,27292,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152681,27292,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152698,27293,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152698,27293,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152713,27294,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152713,27294,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152730,27295,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152730,27295,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152746,27296,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152746,27296,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152764,27297,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152764,27297,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152781,27298,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152781,27298,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152781,27298,1
C,13,na,protons,,,,,ppm,0.00,na,indirect,,,,,,,,,,,152796,27299,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,152796,27299,1
N,15,na,protons,,,,,ppm,0.00,na,indirect,,,,,,,,,,,152796,27299,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25145,,,,,,,,,,152811,27300,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,152811,27300,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.11329,,,,,,,,,,152811,27300,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152826,27301,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152826,27301,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152826,27301,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152843,27302,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152843,27302,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152843,27302,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152862,27303,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152862,27303,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152862,27303,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,152879,27304,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,152895,27305,1
H,1,water,protons,,,,,ppm,4.795,internal,direct,1.0,,,,,,,,,,152895,27305,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,152895,27305,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251,,,,,,,,,,152912,27306,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101,,,,,,,,,,152912,27306,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152930,27307,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152930,27307,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152930,27307,1
C,13,DSS,carbon,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,152945,27312,1
H,1,DSS,protons,,,,,ppm,0,external,direct,3.976941392,,,,,,,,,,152945,27312,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,0.402979940,,,,,,,,,,152945,27312,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152969,27313,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152969,27313,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152969,27313,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,152985,27314,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,152985,27314,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,152985,27314,1
C,13,water,protons,,,,,ppm,0,internal,direct,,,,,,,,,,,152999,27315,1
H,1,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,152999,27315,1
N,15,water,protons,,,,,ppm,0,internal,direct,,,,,,,,,,,152999,27315,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,153015,27316,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153015,27316,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.101329118,,,,,,,,,,153015,27316,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,other,,,,,,,,,153029,27317,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,other,,,,,,,,,153029,27317,1
C,13,na,methyl carbon,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,153044,27320,1
H,1,na,protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,153044,27320,1
N,15,na,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,153044,27320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,153063,27321,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,153063,27321,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,153063,27321,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1,,,,,,,,,,153083,27322,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,153098,27323,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,153113,27324,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,153128,27325,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,153142,27326,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,153156,27327,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153170,27328,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153170,27328,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25144953,,,,,,,,,,153187,27332,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,153187,27332,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,153187,27332,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153202,27333,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153202,27333,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153202,27333,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,153202,27333,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153216,27334,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153216,27334,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153216,27334,1
C,13,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,153230,27336,1
H,1,water,protons,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,153230,27336,1
N,15,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,153230,27336,1
C,13,water,protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,153245,27337,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,153245,27337,1
N,15,water,protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,153245,27337,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,153259,27338,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,153259,27338,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,153259,27338,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,153274,27339,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153274,27339,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,153274,27339,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153289,27341,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153289,27341,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153289,27341,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,153307,27342,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153324,27343,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153324,27343,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153324,27343,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153341,27344,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153341,27344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153341,27344,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153358,27345,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153358,27345,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153358,27345,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,153375,27346,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,153375,27346,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,153375,27346,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,153389,27348,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,153389,27348,1
N,15,DSS,methylene protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,153389,27348,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153407,27349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153407,27349,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153407,27349,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153453,27351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153453,27351,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153453,27351,1
C,13,DSS,methyl protons,,,,,ppm,-0.0577,external,direct,0.101329118,,,,,,,,,,153468,27352,1
H,1,DSS,methyl protons,,,,,ppm,-0.0577,external,direct,1.0,,,,,,,,,,153468,27352,1
N,15,DSS,methyl protons,,,,,ppm,-0.0577,external,direct,0.25144953,,,,,,,,,,153468,27352,1
C,13,TMS,methyl carbon,,,,,ppm,0,,indirect,1,,,,,,,,,,153487,27353,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,153487,27353,1
N,15,water,protons,,,,,ppm,0,,indirect,1,,,,,,,,,,153487,27353,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153505,27354,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153505,27354,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153505,27354,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153520,27355,1
H,1,water,protons,,,,,ppm,4.813,internal,direct,1.000000000,,,,,,,,,,153520,27355,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153520,27355,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153539,27356,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153539,27356,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153539,27356,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153556,27357,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153571,27358,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,153571,27358,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153571,27358,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,153587,27359,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,153587,27359,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153603,27360,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153603,27360,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153603,27360,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153618,27361,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153618,27361,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153618,27361,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,153636,27362,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,153636,27362,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153656,27363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153656,27363,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153656,27363,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153676,27364,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153676,27364,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153691,27365,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,153691,27365,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153691,27365,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153711,27366,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153711,27366,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153731,27367,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153731,27367,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153751,27368,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153751,27368,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153772,27369,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153772,27369,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153793,27370,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153793,27370,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153814,27371,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153814,27371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153835,27372,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153835,27372,1
C,13,TSP,H,,,,,ppm,0.00,internal,indirect,0.251,,,,,,,,,,153858,27373,1
H,1,TSP,H,,,,,ppm,0.00,internal,indirect,1.000,,,,,,,,,,153858,27373,1
N,15,TSP,H,,,,,ppm,0.00,internal,indirect,0.101,,,,,,,,,,153858,27373,1
C,13,water,H,,,,,ppm,4.77,internal,indirect,0.251,,,,,,,,,,153859,27373,2
H,1,water,H,,,,,ppm,4.77,internal,indirect,1.000,,,,,,,,,,153859,27373,2
N,15,water,H,,,,,ppm,4.77,internal,indirect,0.101,,,,,,,,,,153859,27373,2
C,13,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153873,27374,1
H,1,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153873,27374,1
N,15,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153873,27374,1
C,13,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153887,27375,1
H,1,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153887,27375,1
N,15,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153887,27375,1
C,13,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153901,27376,1
H,1,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153901,27376,1
N,15,water,protons,,,,,ppm,4.6,internal,direct,1,,,,,,,,,,153901,27376,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153920,27377,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153920,27377,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153920,27377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153939,27378,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153939,27378,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,153939,27378,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,153958,27379,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,153958,27379,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,0.251459844,,,,,,,,,,153976,27380,1
H,1,water,protons,,,,,ppm,4.775,internal,direct,1,,,,,,,,,,153976,27380,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101341406,,,,,,,,,,153976,27380,1
C,13,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,153992,27381,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,153992,27381,1
N,15,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,153992,27381,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154011,27382,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154011,27382,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154031,27383,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154031,27383,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154050,27384,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154050,27384,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154069,27385,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154069,27385,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154088,27386,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154088,27386,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,154104,27387,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,154104,27387,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,154104,27387,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154123,27388,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154123,27388,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154142,27389,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154142,27389,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154161,27390,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154161,27390,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154180,27391,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154180,27391,1
C,13,TSP,methyl carbon,,,,,ppm,0,external,indirect,4,,,,,,,,,,154195,27392,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,154195,27392,1
N,15,[15N] ammonium nitrate,nitrogen,,,,,ppm,120,external,indirect,10,,,,,,,,,,154195,27392,1
C,13,na,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,154210,27393,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,154210,27393,1
N,15,na,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,154210,27393,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154226,27394,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154226,27394,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154226,27394,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,4,,,,,,,,,,154245,27395,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,154245,27395,1
N,15,ammonium nitrate,nitrogen,,,,,ppm,353,external,direct,10,,,,,,,,,,154245,27395,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154264,27396,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154264,27396,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154264,27396,1
C,13,water,protons,,,,,ppm,4.80,internal,indirect,0.251449530,,,,,,,,,,154287,27397,1
H,1,water,protons,,,,,ppm,4.80,internal,direct,1.0,,,,,,,,,,154287,27397,1
N,15,water,protons,,,,,ppm,4.80,internal,indirect,0.101329118,,,,,,,,,,154287,27397,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,154305,27398,1
H,1,TSP,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,154305,27398,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,154305,27398,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,154323,27399,1
H,1,TSP,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,154323,27399,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,154323,27399,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,154336,274,1
C,13,TMS,methyl protons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,154354,27400,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,154354,27400,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,external,direct,0.101329118,,,,,,,,,,154354,27400,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154369,27401,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154369,27401,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154369,27401,1
C,13,DSS,methyl carbons,,,,,ppm,40.48,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,154384,27402,1
N,15,DSS,methyl carbons,,,,,ppm,40.48,external,indirect,0.4029799,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,154384,27402,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154400,27403,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154400,27403,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154400,27403,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154419,27404,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154419,27404,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154419,27404,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154433,27405,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154433,27405,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154433,27405,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154447,27406,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154447,27406,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154447,27406,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154465,27407,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154465,27407,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154479,27408,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154479,27408,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154479,27408,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154503,27409,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154503,27409,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154528,27410,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154528,27410,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,154545,27411,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,154545,27411,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,154545,27411,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,154562,27412,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,154562,27412,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10,,,,,,,,,,154562,27412,1
C,13,glucose,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,154576,27413,1
H,1,water,methyl protons,,,,,ppm,0,internal,direct,1.00000000,,,,,,,,,,154576,27413,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,154576,27413,1
H,1,DSS,methyl carbon,,,,,ppm,0.15,external,indirect,1.0,,,,,,,,,,154590,27414,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154607,27415,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154607,27415,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154607,27415,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.2514495,,,,,,,,,,154621,27416,1
H,1,TSP,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,154621,27416,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329,,,,,,,,,,154621,27416,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154646,27417,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.000000000,,,,,,,,,,154646,27417,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154646,27417,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.2514495,,,,,,,,,,154660,27418,1
H,1,TSP,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,154660,27418,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329,,,,,,,,,,154660,27418,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.2514495,,,,,,,,,,154674,27419,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,154674,27419,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329,,,,,,,,,,154674,27419,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154690,27420,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154690,27420,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154690,27420,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,154704,27421,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,154704,27421,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,154704,27421,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,154718,27422,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,154718,27422,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,154718,27422,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,154733,27424,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,154733,27424,1
N,15,DSS,nitrogens,,,,,ppm,0,internal,direct,1,,,,,,,,,,154733,27424,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,154750,27425,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,154750,27425,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,154750,27425,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154765,27426,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154765,27426,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154765,27426,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154782,27429,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154782,27429,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154782,27429,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154799,27430,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154799,27430,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154799,27430,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154833,27431,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154833,27431,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154833,27431,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154852,27432,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154852,27432,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154852,27432,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154866,27433,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154866,27433,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154866,27433,1
H,1,TMS,protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,154884,27434,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,154903,27435,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,154903,27435,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,154903,27435,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154920,27436,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154920,27436,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154920,27436,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154935,27437,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154935,27437,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154935,27437,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154952,27438,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154952,27438,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154952,27438,1
C,13,water,protons,,,,,ppm,4.77,external,indirect,0.2514,,,,,,,,,,154971,27439,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,154971,27439,1
N,15,water,protons,,,,,ppm,4.77,external,indirect,0.101329,,,,,,,,,,154971,27439,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,154987,27440,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,154987,27440,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,154987,27440,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155003,27441,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155003,27441,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155003,27441,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,,,,,,,,,155019,27442,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,,,,,,,,,155019,27442,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,,,,,,,,,155019,27442,1
C,13,DSS,methyl protons,,,,,Hz,0,external,direct,0.251449537,,,,,,,,,,155034,27443,1
N,15,DSS,methyl protons,,,,,Hz,0,external,indirect,0.101329118,,,,,,,,,,155034,27443,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155050,27445,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155050,27445,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155050,27445,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155066,27446,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155066,27446,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155066,27446,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155091,27447,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155091,27447,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155091,27447,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155121,27448,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155121,27448,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155121,27448,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155144,27449,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155144,27449,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155144,27449,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155160,27450,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155160,27450,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155160,27450,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,155160,27450,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155175,27451,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155175,27451,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155175,27451,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,155175,27451,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,155209,27452,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,155209,27452,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,155209,27452,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155230,27453,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155230,27453,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155230,27453,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155253,27455,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155253,27455,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155253,27455,1
C,13,adamantane,13C downfield signal,,,,,ppm,40.48,external,direct,1,,,,,,,,,,155273,27457,1
N,15,adamantane,13C downfield signal,,,,,ppm,40.48,external,indirect,0.4029799459,,,,,,,,,,155273,27457,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155291,27458,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155291,27458,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155291,27458,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155316,27459,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155316,27459,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155316,27459,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155335,27460,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155335,27460,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155335,27460,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155355,27461,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155355,27461,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155355,27461,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155371,27462,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155371,27462,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155371,27462,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155389,27463,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155389,27463,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155389,27463,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155402,27464,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155402,27464,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155402,27464,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,155402,27464,1
C,13,water,protons,,,,,ppm,0,na,direct,,,,,,,,,,,155432,27466,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,155432,27466,1
N,15,water,protons,,,,,ppm,0,na,direct,,,,,,,,,,,155432,27466,1
C,13,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,155447,27467,1
H,1,water,protons,,,,,ppm,4.78,internal,indirect,1,,,,,,,,,,155447,27467,1
N,15,water,protons,,,,,ppm,0,na,indirect,,,,,,,,,,,155447,27467,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155468,27468,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155468,27468,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155468,27468,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155485,27469,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155485,27469,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155485,27469,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155502,27470,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155502,27470,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155502,27470,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155517,27471,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155531,27472,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155531,27472,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155531,27472,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155551,27473,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155551,27473,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155551,27473,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155568,27475,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155568,27475,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155568,27475,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155582,27476,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155582,27476,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155582,27476,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,155597,27477,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,155597,27477,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,155597,27477,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155624,27478,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155624,27478,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155624,27478,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155642,27479,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155642,27479,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155642,27479,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155660,27480,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155660,27480,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155660,27480,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155675,27481,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155675,27481,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155675,27481,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155691,27482,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155691,27482,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155691,27482,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155706,27483,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155706,27483,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155706,27483,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155722,27484,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155722,27484,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155737,27485,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155737,27485,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155752,27488,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155752,27488,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155752,27488,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155770,27489,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155770,27489,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155770,27489,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155785,27490,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155785,27490,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155785,27490,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155801,27491,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155816,27492,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25145,,,,,,,,,,155840,27493,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,155840,27493,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.1013,,,,,,,,,,155840,27493,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155856,27494,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155856,27494,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155856,27494,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155872,27495,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155872,27495,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155872,27495,1
C,13,water,protons,,,,,ppm,4.771,na,indirect,0.25145,,,,,,,,,,155887,27496,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1,,,,,,,,,,155887,27496,1
N,15,water,protons,,,,,ppm,4.771,na,indirect,0.10133,,,,,,,,,,155887,27496,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155905,27497,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155905,27497,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155905,27497,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155930,27498,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155930,27498,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155930,27498,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155944,27499,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155944,27499,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155944,27499,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,155957,275,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,155975,27500,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155975,27500,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155975,27500,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,155990,27501,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,155990,27501,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156005,27502,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156005,27502,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156005,27502,1
C,13,na,methyl carbon,,,,,na,0,na,direct,1,,,,,,,,,,156019,27503,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,156019,27503,1
N,15,na,nitrogen,,,,,na,0,na,direct,1,,,,,,,,,,156019,27503,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,156040,27506,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,156040,27506,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,156040,27506,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156054,27508,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,156054,27508,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156054,27508,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156070,27509,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156070,27509,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156070,27509,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156086,27510,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156086,27510,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156086,27510,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156100,27511,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,156100,27511,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156100,27511,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156114,27512,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,156114,27512,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156114,27512,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,156128,27513,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,156128,27513,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,156128,27513,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,156142,27514,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,156142,27514,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.404808636,,,,,,,,,,156142,27514,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,156156,27515,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,156156,27515,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,156156,27515,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,156170,27516,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,156170,27516,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,156170,27516,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251450201,,,,,,,,,,156184,27517,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,156184,27517,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,156184,27517,1
C,13,glucose,methyl carbons,,,,,ppm,0,na,indirect,0.2515,,,,,,,,,,156200,27518,1
H,1,water,protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,156200,27518,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,na,indirect,0.1014,,,,,,,,,,156200,27518,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156222,27519,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156222,27519,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156222,27519,1
C,13,water,protons,,,,,ppm,4.68,internal,indirect,0.251449530,,,,,,,,,,156239,27520,1
H,1,water,protons,,,,,ppm,4.68,internal,direct,1,,,,,,,,,,156239,27520,1
N,15,water,protons,,,,,ppm,4.68,internal,indirect,0.101329118,,,,,,,,,,156239,27520,1
C,13,water,protons,,,,,ppm,4.68,internal,indirect,0.251449530,,,,,,,,,,156259,27521,1
H,1,water,protons,,,,,ppm,4.68,internal,direct,1,,,,,,,,,,156259,27521,1
N,15,water,protons,,,,,ppm,4.68,internal,indirect,0.101329118,,,,,,,,,,156259,27521,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,156279,27522,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,156279,27522,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,156279,27522,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,156304,27523,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,156304,27523,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,156304,27523,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156318,27524,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156318,27524,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156318,27524,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156334,27525,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156334,27525,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156334,27525,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,156348,27526,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156348,27526,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,156348,27526,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156362,27527,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,156362,27527,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,1,,,,,,,,,,156362,27527,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25145,,,,,,,,,,156378,27528,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,156378,27528,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.1013,,,,,,,,,,156378,27528,1
C,13,water,protons,,,,,ppm,174.971,internal,indirect,0.251449530,,,,,,,,,,156392,27529,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,156392,27529,1
N,15,water,protons,,,,,ppm,119.47,internal,indirect,0.101329118,,,,,,,,,,156392,27529,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156407,27530,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156407,27530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156407,27530,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156426,27531,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156426,27531,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156426,27531,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156440,27532,1
C,13,na,methyl carbon,,,,,ppm,0,external,direct,1.0,,,,,,,,,,156457,27533,1
H,1,TMS,protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,156457,27533,1
N,15,na,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,156457,27533,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156512,27536,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,,,,,156512,27536,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156512,27536,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156530,27537,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,,,,,,,,,156530,27537,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156530,27537,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156551,27538,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,,,,,,,,,156551,27538,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156551,27538,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156570,27539,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156570,27539,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156570,27539,1
C,13,water,protons,,,,,ppm,4.74,internal,indirect,0.2514,,,,,,,,,,156586,27540,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1,,,,,,,,,,156586,27540,1
N,15,water,protons,,,,,ppm,4.74,internal,indirect,0.1013,,,,,,,,,,156586,27540,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156604,27541,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156604,27541,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156604,27541,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156618,27542,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156618,27542,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156618,27542,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156633,27543,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156633,27543,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156633,27543,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156647,27544,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156647,27544,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156647,27544,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156661,27545,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156661,27545,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156661,27545,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156675,27546,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156675,27546,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156675,27546,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144953,,,,,,,,,,156690,27547,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,156690,27547,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,156690,27547,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156707,27548,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156707,27548,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156707,27548,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,156723,27549,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,156723,27549,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,156723,27549,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156743,27550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156743,27550,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,external,direct,0.101329118,,,,,,,,,,156743,27550,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,156757,27552,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156775,27553,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,156775,27553,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156775,27553,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156793,27554,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,156793,27554,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156793,27554,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156809,27555,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156809,27555,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156809,27555,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156825,27556,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156825,27556,1
C,13,Indirectly Referenced,methyl carbons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,156840,27557,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,156840,27557,1
N,15,Indirectly Referenced,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,156840,27557,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156855,27558,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156855,27558,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156870,27559,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,156870,27559,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156888,27560,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,156888,27560,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156908,27561,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,156908,27561,1
C,13,adamantan,methyl carbons,,,,,ppm,28.8,external,direct,1,,,,,,,,,,156922,27562,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,156922,27562,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,direct,1,,,,,,,,,,156922,27562,1
C,13,TMSPA,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,156937,27563,1
H,1,TMSPA,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156937,27563,1
N,15,TMSPA,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,156937,27563,1
C,13,water,protons,,,,,ppm,4.677,internal,indirect,0.251491,,,,,,,,,,156955,27564,1
H,1,water,protons,,,,,ppm,4.677,internal,direct,1.0,,,,,,,,,,156955,27564,1
N,15,water,protons,,,,,ppm,4.677,internal,indirect,0.101340,,,,,,,,,,156955,27564,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,156970,27565,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,156970,27565,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,156970,27565,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,156987,27566,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,156987,27566,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,156987,27566,1
C,13,na,methyl carbon,,,,,ppm,50,na,indirect,1.0,,,,,,,,,,157032,27569,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,157032,27569,1
N,15,na,nitrogen,,,,,ppm,150,na,indirect,1.0,,,,,,,,,,157032,27569,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157049,27570,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157049,27570,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157065,27571,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157065,27571,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157065,27571,1
C,13,Adamantane,methylene carbons,,,,,ppm,31.48,external,direct,1,,,,,,,,,,157090,27572,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,157090,27572,1
N,15,Histidine,nitrogen,,,,,ppm,175.17,external,direct,1,,,,,,,,,,157090,27572,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,,,,,157104,27573,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,157104,27573,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,157104,27573,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157119,27574,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157119,27574,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157119,27574,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,157135,27575,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,157135,27575,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,157135,27575,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,157151,27576,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,157151,27576,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,157151,27576,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157170,27577,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157170,27577,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157170,27577,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157192,27578,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.000000000,,,,,,,,,,157192,27578,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157192,27578,1
C,13,na,methyl carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,157207,27579,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,157207,27579,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,157207,27579,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157221,27580,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157221,27580,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157221,27580,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157238,27581,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157238,27581,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157238,27581,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1.0,,,,,,,,,,157252,27582,1
N,15,DSS,nitrogen,,,,,ppm,0,na,direct,1.0,,,,,,,,,,157252,27582,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157266,27583,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157266,27583,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157266,27583,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.2514502001,,,,,,,,,,157282,27584,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,157282,27584,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329120,,,,,,,,,,157282,27584,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.2514502001,,,,,,,,,,157297,27585,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,157297,27585,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329120,,,,,,,,,,157297,27585,1
C,13,na,na,,,,,ppm,0,na,indirect,,,,,,,,,,,157312,27586,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1.0,,,,,,,,,,157312,27586,1
N,15,na,na,,,,,ppm,0,na,indirect,,,,,,,,,,,157312,27586,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157329,27587,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.000000000,,,,,,,,,,157329,27587,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157329,27587,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,157346,27588,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,157346,27588,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,157346,27588,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,157364,27589,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,157364,27589,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,157364,27589,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,157382,27590,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,157382,27590,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,157382,27590,1
C,13,water,methyl carbon,,,,,ppm,54,internal,direct,1.0,,,,,,,,,,157398,27591,1
H,1,water,protons,,,,,ppm,4.708,internal,direct,1.0,,,,,,,,,,157398,27591,1
N,15,water,nitrogen,,,,,ppm,118,internal,direct,1.0,,,,,,,,,,157398,27591,1
C,13,na,methyl carbon,,,,,ppm,45,na,direct,1.0,,,,,,,,,,157414,27592,1
H,1,water,protons,,,,,ppm,4.710,internal,direct,1.0,,,,,,,,,,157414,27592,1
N,15,na,nitrogen,,,,,ppm,118,na,direct,1.0,,,,,,,,,,157414,27592,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157431,27593,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,157431,27593,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157431,27593,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449519,,,,,,,,,,157449,27594,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,157449,27594,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10134133880514666048,,,,,,,,,,157449,27594,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157474,27595,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157474,27595,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157474,27595,1
H,1,water,protons,,,,,ppm,,na,indirect,1.0,,,,,,,,,,157488,27596,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,157502,27598,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,157502,27598,1
N,15,[15N] ammonium chloride,methyl protons,,,,,ppm,0,internal,indirect,0.101329112,,,,,,,,,,157502,27598,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,157516,27599,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,157516,27599,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,157516,27599,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,157529,276,1
C,13,t-boc-Glycine,Carboxyl carbon,,,,,ppm,176.45,external,direct,1.0,,,,,,,,,,157544,27600,1
C,13,water,methyl carbon,,,,,ppm,45.731,internal,indirect,0.25144953,,,,,,,,,,157559,27601,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1.0,,,,,,,,,,157559,27601,1
N,15,water,nitrogen,,,,,ppm,119.587,internal,indirect,0.101329118,,,,,,,,,,157559,27601,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,insert at center of experimental sample tube,,magic angle,,,,,,,157576,27602,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,insert at center of experimental sample tube,,magic angle,,,,,,,157576,27602,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157592,27603,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157592,27603,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157592,27603,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157611,27605,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157611,27605,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157611,27605,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157629,27606,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,157629,27606,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164792,287,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157629,27606,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157646,27607,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157646,27607,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157646,27607,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157660,27608,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157660,27608,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157660,27608,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157675,27609,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157675,27609,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157675,27609,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157690,27610,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157690,27610,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157690,27610,1
C,13,TMS,methyl protons,,,,,ppm,0.0,external,indirect,0.2514495,,,,,,,,,,157704,27611,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,157704,27611,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,157721,27612,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,157721,27612,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,157721,27612,1
C,13,glucose,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,157737,27613,1
H,1,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,157737,27613,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,157737,27613,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157751,27614,1
H,1,water,protons,,,,,ppm,4.66,internal,direct,1.0,,,,,,,,,,157751,27614,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157751,27614,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157765,27616,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.000000000,,,,,,,,,,157765,27616,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157765,27616,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,157783,27617,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157783,27617,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,157783,27617,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157799,27618,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157799,27618,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157799,27618,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,157813,27619,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,157813,27619,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,157813,27619,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,157829,27620,1
H,1,water,protons,,,,,ppm,4.82,internal,direct,1,,,,,,,,,,157829,27620,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,157829,27620,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157843,27621,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157857,27622,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157871,27623,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157871,27623,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157871,27623,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157885,27624,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157885,27624,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157885,27624,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157899,27625,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157899,27625,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157899,27625,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157917,27626,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157917,27626,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157917,27626,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157932,27627,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157932,27627,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157932,27627,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,157946,27628,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,157946,27628,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,157946,27628,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,157961,27629,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,157961,27629,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,157961,27629,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,157974,2763,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,157990,27630,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,157990,27630,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,157990,27630,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158009,27631,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158009,27631,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158009,27631,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158028,27632,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158028,27632,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158028,27632,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158046,27633,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,158046,27633,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158062,27634,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158062,27634,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158062,27634,1
C,13,water,protons,,,,,ppm,4.771,internal,indirect,0.25144954,,,,,,,,,,158116,27636,1
H,1,water,protons,,,,,ppm,4.771,internal,direct,1,,,,,,,,,,158116,27636,1
N,15,water,protons,,,,,ppm,4.771,internal,indirect,0.10132900,,,,,,,,,,158116,27636,1
C,13,dioxane,methylene carbon,,,,,ppm,61.3,external,indirect,0.251449530,,,,,,,,,,158132,27637,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158132,27637,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158132,27637,1
C,13,dioxane,methylene carbon,,,,,ppm,61.3,external,indirect,0.251449530,,,,,,,,,,158150,27638,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158150,27638,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158150,27638,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,indirect,1,,,,,,,,,,158164,27639,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,158177,2764,1
C,13,na,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,158191,27640,1
H,1,na,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,158191,27640,1
N,15,na,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,158191,27640,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158206,27641,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158206,27641,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158206,27641,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158219,27642,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158219,27642,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158219,27642,1
C,13,TMS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,158233,27643,1
H,1,water,protons,,,,,ppm,4.680,internal,direct,1.000000000,,,,,,,,,,158233,27643,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,158233,27643,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,158247,27645,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1,,,,,,,,,,158247,27645,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,158247,27645,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158273,27646,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,158273,27646,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158273,27646,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,158295,27647,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.000000000,,,,,,,,,,158295,27647,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,158295,27647,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,158313,27648,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,158313,27648,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,158313,27648,1
C,13,na,protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,158328,27649,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,158328,27649,1
N,15,na,protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,158328,27649,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,158343,27651,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,158343,27651,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,158343,27651,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158357,27652,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158357,27652,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158357,27652,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158373,27653,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,158373,27653,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158373,27653,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158391,27654,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,158391,27654,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158391,27654,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158413,27655,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158413,27655,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158413,27655,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158436,27656,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158436,27656,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158436,27656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158454,27659,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158454,27659,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158454,27659,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158471,27661,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158471,27661,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,158486,27662,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,158486,27662,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158504,27664,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158504,27664,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158525,27666,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158525,27666,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158525,27666,1
C,13,TMS,methyl protons,,,,,ppm,,internal,indirect,,,,,,,,,,,158539,27667,1
H,1,water,protons,,,,,ppm,4.68,internal,direct,1,,,,,,,,,,158539,27667,1
N,15,TMS,methyl protons,,,,,ppm,,internal,indirect,,,,,,,,,,,158539,27667,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,0.10132922,,,,,,,,,,158555,27668,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,158573,27669,1
N,15,urea,nitrogen,,,,,ppm,0,na,direct,0.251449530,,,,,,,,,,158573,27669,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,158589,27670,1
N,15,urea,nitrogen,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,158589,27670,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,158607,27671,1
N,15,urea,nitrogen,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,158607,27671,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449519,,,,,,,,,,158625,27672,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,158625,27672,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329112,,,,,,,,,,158625,27672,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,158643,27673,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158643,27673,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,158643,27673,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,158660,27674,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,158660,27674,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,158660,27674,1
C,13,adamantane,methyl carbon,,,,,ppm,31.48,external,direct,1.0,,,,,,,,,,158684,27676,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,158684,27676,1
N,15,Histidine,nitrogen,,,,,ppm,175.17,external,direct,1.0,,,,,,,,,,158684,27676,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158700,27677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158700,27677,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158700,27677,1
C,13,adamantane,methyl carbon,,,,,ppm,31.48,external,indirect,1.0,,,,,,,,,,158717,27678,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1.0,,,,,,,,,,158717,27678,1
N,15,Histidine,nitrogen,,,,,ppm,175.17,external,indirect,1.0,,,,,,,,,,158717,27678,1
C,13,adamantane,methyl carbon,,,,,ppm,31.48,external,indirect,1.0,,,,,,,,,,158734,27679,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1.0,,,,,,,,,,158734,27679,1
N,15,Histidine,nitrogen,,,,,ppm,175.17,external,indirect,1.0,,,,,,,,,,158734,27679,1
H,,TSP,CH3,,,,,ppm,0,,,,,,,,,,,,,158747,2768,1
C,13,adamantane,methyl carbon,,,,,ppm,31.48,external,indirect,1.0,,,,,,,,,,158764,27680,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1.0,,,,,,,,,,158764,27680,1
N,15,Histidine,nitrogen,,,,,ppm,175.17,external,indirect,1.0,,,,,,,,,,158764,27680,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,158782,27681,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,158782,27681,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,158782,27681,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158805,27682,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158805,27682,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158805,27682,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158822,27683,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158822,27683,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158822,27683,1
C,13,Indirectly Referenced,methyl carbon,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,158836,27684,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,158836,27684,1
N,15,Indirectly Referenced,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,158836,27684,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158851,27687,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000000000,,,,,,,,,,158851,27687,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158851,27687,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158869,27688,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158869,27688,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158869,27688,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,0.01590,,,158885,27690,1
H,1,DSS,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,0.06325,,,158885,27690,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,0.00641,,,158885,27690,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158901,27691,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158901,27691,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158901,27691,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158918,27692,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158918,27692,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158918,27692,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158933,27693,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158933,27693,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158933,27693,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,indirect,,,,,,,,,,,158947,27694,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,158947,27694,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,,,,,,,,,,,158961,27695,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,158961,27695,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158976,27696,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158976,27696,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158976,27696,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,158990,27698,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,158990,27698,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,158990,27698,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159010,27699,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159010,27699,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159010,27699,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159034,27700,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159034,27700,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159034,27700,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,159053,27701,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159053,27701,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,159053,27701,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,159067,27702,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,159067,27702,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,159067,27702,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,159081,27703,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,159081,27703,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,159081,27703,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,159095,27704,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,159095,27704,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,159095,27704,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159112,27705,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159112,27705,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159112,27705,1
C,13,water,methyl carbons,,,,,ppm,46.005,,indirect,1,,,,,,,,,,159129,27706,1
H,1,water,protons,,,,,ppm,4.777,,indirect,1,,,,,,,,,,159129,27706,1
N,15,water,nitrogen,,,,,ppm,116.993,,indirect,1,,,,,,,,,,159129,27706,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159143,27707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159143,27707,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159143,27707,1
C,13,na,carbon,,,,,ppm,0.00,internal,indirect,1,,,,,,,,,,159159,27708,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.000000000,,,,,,,,,,159159,27708,1
N,15,na,nitrogen,,,,,ppm,0.00,internal,indirect,1,,,,,,,,,,159159,27708,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159175,27709,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159175,27709,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159175,27709,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159194,27711,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159194,27711,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159194,27711,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159213,27712,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159213,27712,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159227,27713,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159227,27713,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159227,27713,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159243,27714,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159243,27714,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159243,27714,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159259,27715,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159259,27715,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159259,27715,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159275,27716,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159275,27716,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159275,27716,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159291,27717,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159291,27717,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159291,27717,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159310,27718,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159310,27718,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159329,27719,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159329,27719,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159348,27720,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159348,27720,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159370,27721,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159370,27721,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159370,27721,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159414,27722,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159414,27722,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159414,27722,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159453,27724,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159453,27724,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159453,27724,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159473,27725,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159473,27725,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159473,27725,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159491,27726,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159491,27726,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159491,27726,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159510,27728,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159526,27729,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159526,27729,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159526,27729,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,159526,27729,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159545,27730,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159566,27732,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159566,27732,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159566,27732,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159589,27733,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159589,27733,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159589,27733,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159610,27734,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159610,27734,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159610,27734,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159633,27737,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159633,27737,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159633,27737,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159654,27738,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159654,27738,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159654,27738,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159677,27739,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159677,27739,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159677,27739,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,159700,27741,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,159700,27741,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,159700,27741,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159716,27742,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159716,27742,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159716,27742,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159732,27743,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159732,27743,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159732,27743,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159747,27744,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159747,27744,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159747,27744,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,159765,27746,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,other,,,,,,,,,159765,27746,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,159765,27746,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159782,27747,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159782,27747,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159782,27747,1
C,13,water,protons,,,,,ppm,4.7,,indirect,0.251449530,,,,,,,,,,159798,27750,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,159798,27750,1
N,15,water,protons,,,,,ppm,4.7,,indirect,0.101329118,,,,,,,,,,159798,27750,1
C,13,water,protons,,,,,ppm,4.7,,indirect,0.251449530,,,,,,,,,,159814,27751,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,159814,27751,1
N,15,water,protons,,,,,ppm,4.7,,indirect,0.101329118,,,,,,,,,,159814,27751,1
C,13,TMS,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,159835,27752,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,159835,27752,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159851,27753,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159851,27753,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159851,27753,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159866,27754,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159866,27754,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159866,27754,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159881,27755,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159881,27755,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159881,27755,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159900,27756,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,159917,27757,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,159936,27759,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.10132900,,,,,,,,,,159936,27759,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159950,27761,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159950,27761,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159950,27761,1
C,13,water,protons,,,,,ppm,0,internal,direct,,,,,,,,,,,159966,27762,1
H,1,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,159966,27762,1
N,15,water,protons,,,,,ppm,0,internal,direct,,,,,,,,,,,159966,27762,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159982,27763,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159982,27763,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159982,27763,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,159999,27764,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,159999,27764,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,159999,27764,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.251449530,,,,,,,,,,160015,27767,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,160015,27767,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,168616,30179,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.101329118,,,,,,,,,,160015,27767,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160029,27768,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160029,27768,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160029,27768,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160048,27769,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160048,27769,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,160048,27769,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160068,27770,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160068,27770,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,160068,27770,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160084,27771,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160084,27771,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160084,27771,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160099,27772,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160099,27772,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160099,27772,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160127,27774,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160127,27774,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160127,27774,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160142,27775,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160142,27775,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160142,27775,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,160157,27776,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,160157,27776,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,160157,27776,1
H,1,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,160173,27777,1
N,15,water,protons,,,,,ppm,0,internal,direct,0.101329118,,,,,,,,,,160173,27777,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160188,27778,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160188,27778,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160188,27778,1
C,13,TMS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,160209,27779,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,160209,27779,1
C,13,water,protons,,,,,ppm,4.80,internal,indirect,0.251449530,,,,,,,,,,160229,27780,1
H,1,water,protons,,,,,ppm,4.80,internal,direct,1.0,,,,,,,,,,160229,27780,1
N,15,water,protons,,,,,ppm,4.80,internal,indirect,0.101329118,,,,,,,,,,160229,27780,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,160248,27781,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1.000,,,,,,,,,,160248,27781,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,160248,27781,1
C,13,TSP,methyl carbon,,,,,na,0.00,external,indirect,0.251449530,,,,,,,,,,160263,27782,1
H,1,TSP,protons,,,,,ppm,0.00,external,indirect,1.0,,,,,,,,,,160263,27782,1
N,15,TSP,nitrogen,,,,,na,0.00,external,indirect,0.101329118,,,,,,,,,,160263,27782,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160277,27783,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160277,27783,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160277,27783,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160291,27784,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160291,27784,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160291,27784,1
C,13,water,protons,,,,,ppm,4.80,internal,indirect,0.251449530,,,,,,,,,,160309,27785,1
H,1,water,protons,,,,,ppm,4.80,internal,direct,1.0,,,,,,,,,,160309,27785,1
N,15,water,protons,,,,,ppm,4.80,internal,indirect,0.101329118,,,,,,,,,,160309,27785,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144953,,,,,,,,,,160329,27786,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,160329,27786,1
C,13,water,carbons,,,,,ppm,41.638,internal,indirect,0.251449530,,,,,,,,,,160355,27787,1
H,1,water,protons,,,,,ppm,4.677,na,direct,1.0,,,,,,,,,,160355,27787,1
N,15,water,nitrogen,,,,,ppm,117.977,internal,indirect,0.101329118,,,,,,,,,,160355,27787,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160371,27788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160371,27788,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160371,27788,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160387,27789,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160387,27789,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160387,27789,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160403,27790,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160403,27790,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160403,27790,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,160423,27791,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,160423,27791,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,160444,27792,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,,,,,160444,27792,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530251449530,,,,,,,,,,160459,27793,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000,,,,,,,,,,160459,27793,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.10132911801329118,,,,,,,,,,160459,27793,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,160494,27794,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,160494,27794,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,160494,27794,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160508,27795,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160508,27795,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160508,27795,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160524,27796,1
H,1,water,protons,,,,,ppm,4.892,internal,direct,1.000000000,,,,,,,,,,160524,27796,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160524,27796,1
C,13,water,protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160541,27797,1
H,1,water,protons,,,,,ppm,4.892,internal,indirect,1.000000000,,,,,,,,,,160541,27797,1
N,15,water,protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160541,27797,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,160555,27798,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,160555,27798,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,160555,27798,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,160570,27799,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.00000000,,,,,,,,,,160570,27799,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,160570,27799,1
C,13,TMS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,160591,27800,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,160591,27800,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,160608,27801,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,160608,27801,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,160608,27801,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160622,27802,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160636,27803,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160650,27804,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160664,27805,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160678,27806,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160692,27807,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160706,27808,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160720,27809,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,160734,27810,1
C,13,glucose,methyl carbon,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,160748,27811,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1.0,,,,,,,,,,160748,27811,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,160748,27811,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160766,27812,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160766,27812,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160766,27812,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,160782,27813,1
N,15,urea,nitrogen,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,160782,27813,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160797,27814,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160797,27814,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160797,27814,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,160815,27815,1
N,15,urea,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,160815,27815,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,160833,27816,1
N,15,urea,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,160833,27816,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160848,27817,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160848,27817,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160848,27817,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160863,27818,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160863,27818,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160863,27818,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160878,27819,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160878,27819,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160878,27819,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160893,27820,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160893,27820,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160893,27820,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160908,27821,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160908,27821,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160908,27821,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160928,27825,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160928,27825,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160928,27825,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,160950,27826,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160950,27826,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,160950,27826,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,160969,27827,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,160969,27827,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,160983,27828,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,1.000000000,,,,,,,,,,160998,27829,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,161017,27830,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1,,,,,,,,,,161017,27830,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,161017,27830,1
C,13,TMS,methyl carbon,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,161034,27831,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,161034,27831,1
N,15,urea,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,161034,27831,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.251449530,,,,,,,,,,161048,27832,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1.0,,,,,,,,,,161048,27832,1
C,13,water,protons,,,,,ppm,4.8,internal,direct,0.251449530,,,,,,,,,,161062,27833,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,161062,27833,1
N,15,water,protons,,,,,ppm,4.8,internal,direct,0.101329118,,,,,,,,,,161062,27833,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.251449530,,,,,,,,,,161078,27834,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,161078,27834,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.101329118,,,,,,,,,,161078,27834,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161092,27835,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161092,27835,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161092,27835,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161109,27836,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161109,27836,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161109,27836,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161125,27837,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161125,27837,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161125,27837,1
C,13,glucose,methyl carbons,,,,,ppm,4.78,internal,indirect,1.0,,,,,,,,,,161140,27839,1
H,1,water,protons,,,,,ppm,4.78,internal,indirect,1.0,,,,,,,,,,161140,27839,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,4.78,internal,indirect,1.0,,,,,,,,,,161140,27839,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,161153,2784,1
H,,HOD,,,,,,ppm,4.64,,,,,,,1,entry_citation,,,1,entry_citation,161153,2784,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161171,27840,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161171,27840,1
N,15,DSS,methylene protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161171,27840,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161189,27841,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161189,27841,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161189,27841,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161209,27842,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161209,27842,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161209,27842,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161229,27843,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161229,27843,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,161229,27843,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161245,27844,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161245,27844,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161260,27845,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,insert at center of experimental sample tube,,,,,,,,,161260,27845,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161260,27845,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161277,27847,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161277,27847,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161277,27847,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161293,27848,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161293,27848,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161293,27848,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,161306,2785,1
H,,HOD,,,,,,ppm,4.64,,,,,,,1,entry_citation,,,1,entry_citation,161306,2785,1
C,13,glucose,methyl carbon,,,,,ppm,0.2,internal,indirect,1,,,,,,,,,,161320,27850,1
H,1,water,protons,,,,,ppm,4.78,internal,indirect,1,,,,,,,,,,161320,27850,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0.0,internal,indirect,1,,,,,,,,,,161320,27850,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161336,27851,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161336,27851,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161336,27851,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161352,27852,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161352,27852,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161352,27852,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161371,27853,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161371,27853,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161371,27853,1
C,13,TMS,methyl protons,,,,,ppm,0.00,external,direct,0.25145020,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,161389,27854,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161925,27888,1
H,1,TMS,methyl protons,,,,,ppm,0.00,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,161389,27854,1
N,15,TMS,methyl protons,,,,,ppm,0.00,external,direct,0.10136767,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,161389,27854,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.251449530,,,,,,,,,,161407,27856,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,161407,27856,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.101329118,,,,,,,,,,161407,27856,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.25144953,,,,,,,,,,161424,27857,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000,,,,,,,,,,161424,27857,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,161424,27857,1
C,13,na,carbons,,,,,na,0,na,direct,1.0,,,,,,,,,,161439,27859,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,161439,27859,1
N,15,na,nitrogen,,,,,na,0,na,direct,1.0,,,,,,,,,,161439,27859,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,161452,2786,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,161466,27860,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,161466,27860,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161480,27861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161480,27861,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161480,27861,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,161497,27862,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161512,27863,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,161512,27863,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,161527,27864,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,161543,27865,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,161543,27865,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161561,27866,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161561,27866,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161561,27866,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.25144953,,,,,,,,,,161576,27867,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,161576,27867,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161592,27868,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161592,27868,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161592,27868,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161610,27869,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161610,27869,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161610,27869,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,161623,2787,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.000000000,,,,,,,,,,161643,27872,1
N,15,water,protons,,,,,ppm,4.8,na,indirect,0.101329118,,,,,,,,,,161643,27872,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161670,27873,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161670,27873,1
H,1,water,protons,,,,,ppm,4.8,internal,indirect,1.000000000,,,,,,,,,,161693,27874,1
N,15,water,protons,,,,,ppm,4.8,na,indirect,0.101329118,,,,,,,,,,161693,27874,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161721,27875,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161721,27875,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161721,27875,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161750,27876,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161750,27876,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161750,27876,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161772,27878,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161793,27879,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161793,27879,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161793,27879,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161811,27880,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161811,27880,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161811,27880,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,161826,27881,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,161826,27881,1
N,15,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,161826,27881,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161842,27882,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161842,27882,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161842,27882,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161858,27883,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161858,27883,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161858,27883,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161875,27884,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161875,27884,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161875,27884,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161889,27886,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161889,27886,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161889,27886,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,161904,27887,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161925,27888,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161925,27888,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161954,27890,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161954,27890,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161954,27890,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,161977,27893,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,161977,27893,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,161977,27893,1
C,13,water,protons,,,,,ppm,4.773,internal,direct,,,,,,,,,,,161991,27894,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,161991,27894,1
N,15,water,protons,,,,,ppm,4.773,internal,direct,,,,,,,,,,,161991,27894,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162009,27895,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162009,27895,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162009,27895,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162025,27900,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162025,27900,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162025,27900,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162041,27901,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162041,27901,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162041,27901,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,162055,27903,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,162055,27903,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162071,27904,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162071,27904,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162071,27904,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,162085,27905,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,162085,27905,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162100,27911,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162100,27911,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162100,27911,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162115,27912,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162115,27912,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162115,27912,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,162131,27913,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,162131,27913,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,162131,27913,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,162148,27914,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162148,27914,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,162148,27914,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.2514495,,,,,,,,,,162169,27915,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,162169,27915,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.1013291,,,,,,,,,,162169,27915,1
C,13,DSS,methyl protons,,,,,na,0.0,na,indirect,0.2514495,,,,,,,,,,162191,27916,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,162191,27916,1
N,15,DSS,methyl protons,,,,,na,0.0,na,indirect,0.1013291,,,,,,,,,,162191,27916,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162210,27917,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162210,27917,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162210,27917,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162227,27920,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162227,27920,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162227,27920,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162244,27922,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162244,27922,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162244,27922,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162259,27923,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162259,27923,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162259,27923,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162275,27924,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162275,27924,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162275,27924,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162290,27925,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162290,27925,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162290,27925,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,162305,27926,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,162322,27927,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,162339,27928,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162363,27929,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162363,27929,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162363,27929,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,162382,27930,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,162382,27930,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,162382,27930,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162396,27931,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162396,27931,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162396,27931,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,162396,27931,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162412,27932,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162412,27932,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162412,27932,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,162432,27934,1
C,13,water,methyl carbons,,,,,ppm,4.699,na,direct,,,,,,,,,,,162447,27935,1
H,1,water,protons,,,,,ppm,4.699,na,direct,1.0,,,,,,,,,,162447,27935,1
N,15,water,nitrogen,,,,,ppm,4.699,na,direct,,,,,,,,,,,162447,27935,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,162463,27943,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,162463,27943,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,162463,27943,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,162477,27944,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,2.73,,,162491,27945,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,-0.07,,,162491,27945,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,0.07,,,162491,27945,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,3,,,162507,27946,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,-0.065,,,162507,27946,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,0.04,,,162507,27946,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,162524,27947,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,162524,27947,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,162524,27947,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,162538,27948,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162554,27949,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162554,27949,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162554,27949,1
C,13,water,protons,,,,,ppm,4.83,internal,indirect,0.251449530,,,,,,,,,,162571,27950,1
H,1,water,protons,,,,,ppm,4.83,internal,direct,1.000000000,,,,,,,,,,162571,27950,1
N,15,water,protons,,,,,ppm,4.83,internal,indirect,0.101329118,,,,,,,,,,162571,27950,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162587,27951,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162587,27951,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162587,27951,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162603,27952,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162603,27952,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162603,27952,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162619,27953,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162619,27953,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162619,27953,1
H,1,TMPS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,162637,27954,1
N,15,TMPS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,162637,27954,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162652,27955,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162652,27955,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162668,27956,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162668,27956,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162684,27957,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162684,27957,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162700,27958,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162721,27959,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162721,27959,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162721,27959,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,162739,27960,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,162739,27960,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329,,,,,,,,,,162739,27960,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162754,27961,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000000000,,,,,,,,,,162754,27961,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162754,27961,1
C,13,water,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,162772,27962,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.000000000,,,,,,,,,,162772,27962,1
N,15,water,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,162772,27962,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162805,27964,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162805,27964,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162805,27964,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162821,27965,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000000000,,,,,,,,,,162821,27965,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162821,27965,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162836,27967,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000000000,,,,,,,,,,162836,27967,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162836,27967,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162851,27968,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162851,27968,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162851,27968,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,162866,27969,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162866,27969,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,162866,27969,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162880,27970,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162880,27970,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162880,27970,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162894,27971,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162894,27971,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162894,27971,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,162908,27972,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,162908,27972,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,162908,27972,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162926,27973,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162926,27973,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,162926,27973,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162941,27974,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162941,27974,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162941,27974,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,162956,27975,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,162956,27975,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,162956,27975,1
C,13,glucose,methyl carbons,,,,,ppm,0,internal,indirect,.251,,,,,,,,,,162973,27976,1
H,1,water,protons,,,,,ppm,0,internal,indirect,1.00,,,,,,,,,,162973,27976,1
N,15,ammonium sulfate,nitrogen,,,,,ppm,0,internal,indirect,.101,,,,,,,,,,162973,27976,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,162993,27977,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,162993,27977,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163016,27978,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163016,27978,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163016,27978,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,163030,27979,1
H,1,water,protons,,,,,ppm,4.91,internal,direct,1,,,,,,,,,,163030,27979,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,163030,27979,1
H,,H2O/HDO,,,,,,ppm,4.71,,,,,,,1,entry_citation,,,1,entry_citation,163043,2798,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163057,27980,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163077,27981,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163077,27981,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163077,27981,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163097,27982,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163097,27982,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163097,27982,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163117,27983,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163117,27983,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163117,27983,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163132,27984,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163132,27984,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163132,27984,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,163146,27986,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,163146,27986,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,163146,27986,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,163164,27987,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,163164,27987,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,163164,27987,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,indirect,,,,,,,,,,,163184,27988,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,163184,27988,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,163184,27988,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,163200,27989,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163200,27989,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,163200,27989,1
H,,H2O/HDO,,,,,,ppm,4.71,,,,,,,1,entry_citation,,,1,entry_citation,163213,2799,1
C,13,water,protons,,,,,ppm,4.7729,internal,indirect,0.251449530,,,,,,,,,,163231,27990,1
H,1,water,protons,,,,,ppm,4.7729,internal,direct,1,,,,,,,,,,163231,27990,1
N,15,water,protons,,,,,ppm,4.7729,internal,indirect,0.101329118,,,,,,,,,,163231,27990,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163247,27992,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163247,27992,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163247,27992,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163263,27993,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163263,27993,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163263,27993,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163278,27994,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163278,27994,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163278,27994,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163295,27995,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163295,27995,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163295,27995,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163311,27996,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163311,27996,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163311,27996,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163330,27997,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163330,27997,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163330,27997,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163345,27998,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163345,27998,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163345,27998,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,163345,27998,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163360,27999,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163360,27999,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163360,27999,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,163360,27999,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,163373,280,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163388,28000,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163388,28000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163388,28000,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,163388,28000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163403,28001,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163403,28001,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163403,28001,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163420,28002,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163420,28002,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163420,28002,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163439,28003,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163439,28003,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163439,28003,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163454,28005,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163454,28005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163454,28005,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163470,28006,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163470,28006,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163470,28006,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163487,28011,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163487,28011,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163487,28011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163505,28012,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163505,28012,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163505,28012,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163526,28015,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,163526,28015,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163526,28015,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163541,28016,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000000000,,,,,,,,,,163541,28016,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163541,28016,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163558,28017,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163558,28017,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163558,28017,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163575,28019,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163575,28019,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163575,28019,1
C,,CD3OD,,,,,,ppm,49,,,,,,,1,entry_citation,,,1,entry_citation,163591,2802,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163608,28020,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163608,28020,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163608,28020,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163627,28021,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,163627,28021,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163627,28021,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163646,28022,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,163646,28022,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163646,28022,1
H,1,water,protons,,,,,ppm,4.673,na,indirect,1,,,,,,,,,,163660,28025,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,117,na,indirect,1,,,,,,,,,,163660,28025,1
H,1,water,protons,,,,,ppm,4.708,na,indirect,1,,,,,,,,,,163674,28026,1
N,15,ammonium chloride,nitrogen,,,,,ppm,117,na,indirect,1,,,,,,,,,,163674,28026,1
H,1,water,protons,,,,,ppm,4.707,na,indirect,1,,,,,,,,,,163688,28027,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,117,na,indirect,1,,,,,,,,,,163688,28027,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163704,28028,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163704,28028,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163704,28028,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163731,28030,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163731,28030,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,0.251449530,,,,,,,,,,163745,28031,1
H,1,DSS,protons,,,,,ppm,0,external,direct,0.251449530,,,,,,,,,,163745,28031,1
N,15,DSS,nitrogen,,,,,ppm,0,external,direct,0.101329118,,,,,,,,,,163745,28031,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163762,28033,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163762,28033,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163762,28033,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.251449530,,,,,,,,,,163778,28034,1
H,1,water,protons,,,,,ppm,4.773,na,direct,1,,,,,,,,,,163778,28034,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.101329118,,,,,,,,,,163778,28034,1
C,13,adamantane,13C downfield signal,,,,,ppm,40.48,external,direct,1,,,,,,,,,,163795,28035,1
N,15,adamantane,13C downfield signal,,,,,ppm,40.48,external,indirect,0.4029799459,,,,,,,,,,163795,28035,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163809,28036,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163809,28036,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163809,28036,1
C,13,TSP,methyl protons,,,,,ppm,0,na,indirect,0.2514502,,,,,,,,,,163827,28037,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,163827,28037,1
N,15,TSP,methyl protons,,,,,ppm,0,na,indirect,0.10132912,,,,,,,,,,163827,28037,1
C,13,TSP,methyl protons,,,,,ppm,0,na,indirect,0.2514502,,,,,,,,,,163844,28038,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,163844,28038,1
N,15,TSP,methyl protons,,,,,ppm,0,na,indirect,0.10132912,,,,,,,,,,163844,28038,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,163857,2804,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163880,28042,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163880,28042,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163880,28042,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163906,28045,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163906,28045,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163906,28045,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163924,28046,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163924,28046,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163924,28046,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,163941,28047,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,163941,28047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,163941,28047,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,163941,28047,1
C,13,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,163956,28048,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,163956,28048,1
N,15,water,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,163956,28048,1
C,13,Pf Rad50 NBD,methyl carbon,,,,,ppm,17.877,internal,direct,1,,,,,,,,,,163971,28049,1
H,1,Pf Rad50 NBD,methyl protons,,,,,ppm,2.181,internal,direct,1,,,,,,,,,,163971,28049,1
C,13,TSP,methyl carbons,,,,,na,0.0,external,indirect,0.251449530,,,,,,,,,,163991,28050,1
H,1,TSP,protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,163991,28050,1
N,15,TSP,nitrogen,,,,,na,0.0,external,indirect,0.101329118,,,,,,,,,,163991,28050,1
C,13,Pf Rad50 NBD,methyl carbon,,,,,ppm,17.877,internal,indirect,1,,,,,,,,,,164006,28051,1
H,1,Pf Rad50 NBD,methyl protons,,,,,ppm,2.181,internal,indirect,1,,,,,,,,,,164006,28051,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164025,28052,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164025,28052,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164025,28052,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164039,28053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164039,28053,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164039,28053,1
C,13,water,methyl carbons,,,,,ppm,18.308,internal,indirect,0.25144953,,,,,,,,,,164054,28054,1
H,1,water,protons,,,,,ppm,4.534,internal,direct,1,,,,,,,,,,164054,28054,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164070,28056,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164070,28056,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164070,28056,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164090,28057,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164090,28057,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164090,28057,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164111,28058,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164111,28058,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164111,28058,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,164111,28058,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164154,28060,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164154,28060,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164154,28060,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164169,28065,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164169,28065,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164169,28065,1
C,13,na,methyl carbon,,,,,ppm,0,na,direct,1,,,,,,,,,,164191,28066,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,164191,28066,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,164205,28077,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,164205,28077,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164779,2868,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,164205,28077,1
C,13,water,protons,,,,,ppm,4.706,internal,indirect,0.251449530,,,,,,,,,,164221,28086,1
H,1,water,protons,,,,,ppm,4.706,internal,direct,1,,,,,,,,,,164221,28086,1
N,15,water,protons,,,,,ppm,4.706,internal,indirect,0.101329118,,,,,,,,,,164221,28086,1
C,13,water,protons,,,,,ppm,4.821,internal,indirect,0.251449530,,,,,,,,,,164237,28088,1
H,1,water,protons,,,,,ppm,4.821,internal,direct,1,,,,,,,,,,164237,28088,1
N,15,water,protons,,,,,ppm,4.821,internal,indirect,0.101329118,,,,,,,,,,164237,28088,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164253,28092,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164253,28092,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164253,28092,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164269,28094,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164269,28094,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164269,28094,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164286,28095,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164286,28095,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164286,28095,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164303,28096,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164303,28096,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164303,28096,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164326,28097,1
F,19,trichlorofluoromethane,methyl fluorine,,,,,ppm,0.00,na,indirect,0.94094008,,,,,,,,,,164326,28097,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164326,28097,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164326,28097,1
C,13,na,methyl carbon,,,,,ppm,0,na,direct,1,,,,,,,,,,164343,28098,1
H,1,water,protons,,,,,ppm,4.62,internal,direct,1,,,,,,,,,,164343,28098,1
N,15,na,nitrogen,,,,,ppm,0,na,direct,1,,,,,,,,,,164343,28098,1
C,13,water,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,164360,28107,1
H,1,water,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164360,28107,1
C,13,water,methyl carbon,,,,,ppm,0.00,internal,indirect,0.25,,,,,,,,,,164377,28108,1
H,1,water,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,164377,28108,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251449530,other,,,,,,,,,164392,28111,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,other,,,,,,,,,164392,28111,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101329118,other,,,,,,,,,164392,28111,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164408,28113,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164408,28113,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164408,28113,1
C,13,water,protons,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,164427,28114,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,164427,28114,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164446,28123,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164446,28123,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164468,28124,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164468,28124,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164488,28125,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164488,28125,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164508,28126,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164508,28126,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164530,28127,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164530,28127,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164552,28128,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164552,28128,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164571,28129,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164571,28129,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164593,28130,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164593,28130,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164614,28133,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164614,28133,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164614,28133,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164628,28136,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164628,28136,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164628,28136,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164642,28137,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164642,28137,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164642,28137,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,164656,28138,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,164656,28138,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,164656,28138,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164669,283,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164682,284,1
H,1,TSP,,,,,,ppm,0,,,,,,,,,,,,,164698,285,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,164711,2852,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,164724,2853,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164737,2856,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164750,2858,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164766,286,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164792,287,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164805,288,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164805,288,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164819,289,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164832,29,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,164845,290,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,164858,291,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164871,2917,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164884,292,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164897,2928,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164910,293,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164923,2935,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,164936,2936,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,164949,2939,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,164962,294,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,164975,2940,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,164988,2941,1
H,,TMS,,,,,,ppm,0,,,,,,,,,,,,,165001,2948,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,165014,295,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165027,2950,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165040,2951,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165053,2956,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165066,2957,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165079,2958,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165092,2959,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165107,2960,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165122,2968,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165135,298,1
H,,TSP,CH3,,,,,ppm,0,,,,,,,,,,,,,165148,2990,1
H,,TSP,CH3,,,,,ppm,0,,,,,,,,,,,,,165161,2991,1
H,,H2O/HDO,,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,165174,2999,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165187,3,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165200,30,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,165213,300,1
H,,H2O/HDO,,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,165226,3000,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165244,30000,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165244,30000,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165244,30000,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,165272,30002,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.00000000,,,,,,,,,,165272,30002,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,165272,30002,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,165297,30003,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,165297,30003,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,165297,30003,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,165325,30004,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,165325,30004,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,165325,30004,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165345,30005,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165345,30005,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165345,30005,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,direct,0.25144953,,,,,,,,,,165363,30006,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165363,30006,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,165363,30006,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165379,30007,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165379,30007,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,165379,30007,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,165398,30008,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,165398,30008,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,165398,30008,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,165415,30009,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0000,,,,,,,,,,165415,30009,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,165415,30009,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,165436,30010,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,165436,30010,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,165436,30010,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,165453,30011,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,165453,30011,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,165453,30011,1
C,13,KRAS 22RT,methylene protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165478,30012,1
H,1,KRAS 22RT,protons,,,,,ppm,4.7,internal,direct,0.25144953,,,,,,,,,,165478,30012,1
N,15,KRAS 22RT,nitrogen,,,,,ppm,143,internal,direct,0.25144953,,,,,,,,,,165478,30012,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,165495,30013,1
H,2,TMS d12,methyl deuteriums,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165514,30015,1
H,2,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165532,30016,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165549,30017,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165549,30017,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165549,30017,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165569,30019,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165569,30019,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165569,30019,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,165594,30020,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,165594,30020,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,165594,30020,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165617,30021,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165617,30021,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165617,30021,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,165634,30022,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165652,30023,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165652,30023,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165652,30023,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165669,30024,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165669,30024,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165669,30024,1
C,13,DSS,methyl carbons,,,,,ppm,0.8,internal,indirect,0.25144953,,,,,,,,,,165687,30025,1
H,1,DSS,methyl protons,,,,,ppm,0.09,internal,direct,1.0,,,,,,,,,,165687,30025,1
N,15,DSS,nitrogen,,,,,ppm,0.6,internal,indirect,0.10132912,,,,,,,,,,165687,30025,1
C,13,TSP,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,165708,30026,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165708,30026,1
N,15,TSP,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,165708,30026,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165725,30027,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165725,30027,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165725,30027,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165744,30028,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165744,30028,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165744,30028,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165763,30029,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165763,30029,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165763,30029,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165785,30030,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165785,30030,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165785,30030,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165800,30031,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165800,30031,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165800,30031,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,165820,30032,1
H,1,water,protons,,,,,ppm,4.66,internal,direct,1.0,,,,,,,,,,165820,30032,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,165820,30032,1
H,1,DSS,methyl protons,,,,,ppm,0.000,na,direct,1.0,,,,,,,,,,165839,30033,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165863,30034,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165863,30034,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165863,30034,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,165887,30035,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,165887,30035,1
H,1,TMSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165904,30037,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,165923,30038,1
H,1,water,protons,,,,,ppm,4.940,internal,direct,1.0,,,,,,,,,,165924,30038,2
P,31,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.4048,,,,,,,,,,165925,30038,3
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165946,30039,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165946,30039,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165946,30039,1
C,13,water,protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165964,30040,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,165964,30040,1
N,15,DSS,protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165964,30040,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,165986,30042,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,165986,30042,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,165986,30042,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166018,30043,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166018,30043,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166018,30043,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,166039,30044,1
H,1,water,protons,,,,,ppm,4.940,internal,direct,1.0,,,,,,,,,,166040,30044,2
P,31,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.4048,,,,,,,,,,166041,30044,3
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,166059,30045,1
proton,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,166059,30045,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166076,30046,1
C,13,water,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166096,30047,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,166096,30047,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166096,30047,1
C,13,water,protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166114,30048,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,166114,30048,1
N,15,water,protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166114,30048,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166130,30049,1
C,13,water,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166149,30050,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,166149,30050,1
N,15,water,nitrogen,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166149,30050,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166165,30051,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166185,30052,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166205,30053,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166225,30054,1
H,1,DSS,methyl protons,,,,,ppm,4.78,external,indirect,1.0,,,,,,,,,,166242,30055,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,166257,30056,1
H,1,TMS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166274,30057,1
H,1,DSS,methyl protons,,,,,ppm,0.0,na,indirect,1.0,,,,,,,,,,166290,30058,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166306,30059,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166322,30060,1
C,13,water,protons,,,,,ppm,4.755,internal,indirect,0.25144953,,,,,,,,,,166342,30061,1
H,1,water,protons,,,,,ppm,4.755,internal,direct,1.0,,,,,,,,,,166342,30061,1
N,15,water,protons,,,,,ppm,4.755,internal,indirect,0.101329118,,,,,,,,,,166342,30061,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166362,30062,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166362,30062,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166362,30062,1
C,13,water,protons,,,,,ppm,4.67,internal,indirect,0.25144953,,,,,,,,,,166394,30063,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1.0,,,,,,,,,,166394,30063,1
N,15,water,protons,,,,,ppm,4.67,internal,indirect,0.10132912,,,,,,,,,,166394,30063,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166417,30064,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166417,30064,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166417,30064,1
H,2,TMS d12,methyl deuteriums,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166435,30065,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166435,30065,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,166459,30066,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166480,30067,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166480,30067,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166480,30067,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166498,30068,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166498,30068,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166498,30068,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166518,30069,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166518,30069,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166518,30069,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166535,30070,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166555,30071,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166555,30071,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166555,30071,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166573,30072,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166573,30072,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166573,30072,1
C,13,methanol,protons,,,,,ppm,49.0,internal,direct,1.0,,,,,,,,,,166591,30073,1
H,1,methanol,methyl protons,,,,,ppm,3.30,internal,direct,1.0,,,,,,,,,,166591,30073,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166610,30074,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1,,,,,,,,,,166610,30074,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166610,30074,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166633,30075,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166633,30075,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166633,30075,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,166652,30076,1
C,13,acetate,methylene protons,,,,,ppm,38.5,external,direct,0.25144953,,,,,,,,,,166652,30076,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166672,30077,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166672,30077,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166672,30077,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166690,30078,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166690,30078,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166690,30078,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166707,30079,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166707,30079,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166707,30079,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166730,30080,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166730,30080,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166730,30080,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166753,30081,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166753,30081,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166753,30081,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166779,30082,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166779,30082,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166779,30082,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166803,30083,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166803,30083,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166803,30083,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166829,30084,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166829,30084,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166829,30084,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166855,30085,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166855,30085,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166855,30085,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166879,30086,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166879,30086,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166879,30086,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166905,30087,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166905,30087,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166905,30087,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,166924,30088,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,166924,30088,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,166924,30088,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166941,30089,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,166965,30090,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,166965,30090,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,166965,30090,1
H,1,DSS,methyl protons,,,,,MHz,601.1299511,internal,indirect,1,,,,,,,,,,166985,30091,1
H,1,DSS,methyl protons,,,,,MHz,601.1299612,internal,indirect,1,,,,,,,,,,166986,30091,2
H,1,DSS,methyl protons,,,,,MHz,601.1299552,internal,indirect,1,,,,,,,,,,167008,30092,1
H,1,DSS,methyl protons,,,,,MHz,601.1299601,internal,indirect,1,,,,,,,,,,167009,30092,2
H,1,DSS,methyl protons,,,,,MHz,601.1301006,internal,indirect,1,,,,,,,,,,167045,30093,1
H,1,DSS,methyl protons,,,,,MHz,601.1301153,internal,indirect,1,,,,,,,,,,167046,30093,2
H,1,DSS,methyl protons,,,,,MHz,601.1301008,internal,indirect,1,,,,,,,,,,167047,30093,3
H,1,DSS,methyl protons,,,,,MHz,601.1301159,internal,indirect,1,,,,,,,,,,167048,30093,4
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.251449530,,,,,,,,,,167075,30094,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1,,,,,,,,,,167075,30094,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.101329118,,,,,,,,,,167075,30094,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167093,30097,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167093,30097,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167093,30097,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167113,30098,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167113,30098,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167113,30098,1
C,13,water,protons,,,,,ppm,4.779,internal,indirect,0.251,,,,,,,,,,167136,30099,1
H,1,water,protons,,,,,ppm,4.779,internal,direct,1.0,,,,,,,,,,167136,30099,1
N,15,water,protons,,,,,ppm,4.779,internal,indirect,0.101,,,,,,,,,,167136,30099,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,167149,301,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167170,30100,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167170,30100,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167170,30100,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167198,30101,1
H,1,DSS,methyl protons,,,,,ppm,4.78,external,direct,0.1,,,,,,,,,,167198,30101,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167198,30101,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167219,30102,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167219,30102,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167219,30102,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167241,30105,1
P,31,TMP,phosphorus,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167241,30105,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,167259,30106,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,167277,30107,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167302,30108,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167302,30108,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167302,30108,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,167320,30109,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,internal,indirect,0.25144953,,,,,,,,,,167337,30110,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,167337,30110,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167359,30111,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,167359,30111,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167381,30112,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,167381,30112,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167403,30113,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,167403,30113,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167425,30114,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,167425,30114,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167447,30115,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,167447,30115,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167469,30116,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,167469,30116,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167491,30117,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,167491,30117,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167509,30118,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167509,30118,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167509,30118,1
H,1,TSP,methyl protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,167528,30119,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,167546,30120,1
H,1,TSP,methyl protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,167546,30120,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167569,30121,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167569,30121,1
H,1,TSP,methyl protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,167588,30123,1
C,13,dioxane,protons,,,,,ppm,3.75,external,indirect,0.25144953,,,,,,,,,,167604,30124,1
H,1,dioxane,protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,167604,30124,1
N,15,dioxane,protons,,,,,ppm,3.75,external,indirect,0.101329118,,,,,,,,,,167604,30124,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167624,30126,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167624,30126,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167624,30126,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167649,30127,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167649,30127,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167649,30127,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167668,30128,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167668,30128,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167668,30128,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167689,30129,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167689,30129,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167689,30129,1
C,13,DSS,methyl carbons,,,,,ppm,46.01,internal,indirect,0.251449530,,,,,,,,,,167710,30130,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1,,,,,,,,,,167710,30130,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,117.79,internal,indirect,0.101329118,,,,,,,,,,167710,30130,1
C,13,DSS,methyl carbons,,,,,ppm,46.01,internal,indirect,0.251449530,,,,,,,,,,167729,30131,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1,,,,,,,,,,167729,30131,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,117.79,internal,indirect,0.101329118,,,,,,,,,,167729,30131,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167752,30132,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167752,30132,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167752,30132,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167772,30133,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167772,30133,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167772,30133,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167798,30134,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167798,30134,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167798,30134,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167824,30135,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167824,30135,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167824,30135,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167847,30136,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167847,30136,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167847,30136,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167866,30137,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167866,30137,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167866,30137,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167885,30138,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167885,30138,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167885,30138,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,167913,30139,1
H,1,DSS,methyl protons,,,,,ppm,0.000,na,direct,1.0,,,,,,,,,,167913,30139,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,167913,30139,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167933,30140,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167933,30140,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167933,30140,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167954,30141,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167954,30141,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167954,30141,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167973,30142,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167973,30142,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167973,30142,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,167991,30143,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,167991,30143,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,167991,30143,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168016,30144,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168016,30144,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168016,30144,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168034,30145,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168034,30145,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168034,30145,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168053,30146,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168053,30146,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168053,30146,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,168072,30147,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,168091,30148,1
H,1,water,protons,,,,,ppm,4.940,internal,direct,1.0,,,,,,,,,,168092,30148,2
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,168111,30149,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,168111,30149,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,168111,30149,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,168135,30150,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,168135,30150,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,168135,30150,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,168158,30151,1
H,1,water,protons,,,,,ppm,4.940,internal,direct,1.0,,,,,,,,,,168159,30151,2
C,13,dioxane,protons,,,,,ppm,3.75,internal,indirect,0.25144953,,,,,,,,,,168182,30152,1
H,1,dioxane,protons,,,,,ppm,3.75,internal,direct,1,,,,,,,,,,168182,30152,1
N,15,dioxane,protons,,,,,ppm,3.75,internal,indirect,0.10132912,,,,,,,,,,168182,30152,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168202,30153,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168202,30153,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168202,30153,1
C,13,TSP,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,168221,30154,1
H,1,TSP,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,168221,30154,1
N,15,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168221,30154,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,168241,30155,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,168241,30155,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,168241,30155,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,168261,30156,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,168261,30156,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,168261,30156,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168279,30157,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168279,30157,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168279,30157,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168307,30158,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168307,30158,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168307,30158,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168339,30159,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168339,30159,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168339,30159,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,168359,30160,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,168359,30160,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,168359,30160,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168379,30161,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168379,30161,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168379,30161,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168401,30162,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168401,30162,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168401,30162,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168417,30163,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168435,30164,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168435,30164,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168435,30164,1
H,2,Deuterium Oxide,protons,,,,,ppm,4.8,internal,indirect,6.5143996113,,,,,,,,,,168452,30165,1
H,1,Methionine,methyl protons,,,,,ppm,2.078,internal,direct,1.0,,,,,,,,,,168469,30167,1
H,1,Methionine,methyl protons,,,,,ppm,2.078,internal,direct,1.0,,,,,,,,,,168486,30168,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168501,30170,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168501,30170,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168501,30170,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168516,30171,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168516,30171,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168516,30171,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.25144953,,,,,,no correction applied,,,,168534,30172,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,no correction applied,,,,168534,30172,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.10132912,,,,,,no correction applied,,,,168534,30172,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,168551,30176,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168580,30177,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168580,30177,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168580,30177,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,168597,30178,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168635,30180,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168635,30180,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168635,30180,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168652,30181,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,,,,,,,,,,,168652,30181,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,168676,30184,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,168696,30185,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,168696,30185,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,168696,30185,1
C,13,DSS,methylprotons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,168720,30186,1
H,1,DSS,methylprotons,,,,,ppm,0,internal,direct,1,,,,,,,,,,168720,30186,1
N,15,DSS,methylprotons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,168720,30186,1
H,2,Deuterium Oxide,protons,,,,,ppm,4.8,internal,indirect,6.5143996113,,,,,,,,,,168737,30188,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,0.2,,,,168756,30189,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,0.02,,,,168756,30189,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,0.2,,,,168756,30189,1
C,13,water,protons,,,,,ppm,4.768,internal,direct,0.25144953,,,,,,,,,,168780,30190,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,168780,30190,1
N,15,water,protons,,,,,ppm,4.768,internal,direct,0.10132912,,,,,,,,,,168780,30190,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,168798,30191,1
H,1,water,protons,,,,,ppm,4.940,internal,direct,1.0,,,,,,,,,,168799,30191,2
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168819,30192,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168819,30192,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168819,30192,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168838,30193,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168838,30193,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168838,30193,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168857,30194,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168857,30194,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168857,30194,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168872,30195,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168872,30195,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168872,30195,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168888,30196,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168888,30196,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168888,30196,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,168910,30197,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,168910,30197,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,168910,30197,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,168931,30198,1
H,1,water,protons,,,,,ppm,5.040,internal,direct,1.0,,,,,,,,,,168932,30198,2
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168952,30199,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168952,30199,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168952,30199,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,168967,302,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,168986,30200,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,168986,30200,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,168986,30200,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169009,30201,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169009,30201,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169009,30201,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,169026,30202,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,169044,30203,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169065,30204,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169065,30204,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169065,30204,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169086,30205,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169086,30205,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169086,30205,1
C,13,H2O,methyl carbons,,,,,ppm,39,internal,indirect,1,,,,,,,,,,169111,30206,1
H,1,H2O,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,169111,30206,1
N,15,H2O,nitrogen,,,,,ppm,118,internal,indirect,1,,,,,,,,,,169111,30206,1
C,13,DSS,methyl protons,,,,,ppm,4.7,external,indirect,0.251449530,,,,,,,,,,169135,30207,1
H,1,DSS,methyl protons,,,,,ppm,4.7,external,direct,1,,,,,,,,,,169135,30207,1
N,15,DSS,methyl protons,,,,,ppm,4.7,external,indirect,0.101329118,,,,,,,,,,169135,30207,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,169158,30208,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,169158,30208,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,169158,30208,1
C,13,water,protons,,,,,ppm,4.765,internal,indirect,0.25144953,,,,,,,,,,169175,30209,1
H,1,water,protons,,,,,ppm,4.765,internal,direct,1.0,,,,,,,,,,169175,30209,1
N,15,water,protons,,,,,ppm,4.765,internal,indirect,0.10132912,,,,,,,,,,169175,30209,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,169199,30210,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,169199,30210,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,169199,30210,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,169219,30211,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,169219,30211,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169239,30212,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169239,30212,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169259,30213,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169259,30213,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169279,30214,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169279,30214,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169299,30215,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169299,30215,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169319,30216,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169319,30216,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169339,30217,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169339,30217,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169360,30218,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169360,30218,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169380,30219,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169380,30219,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169399,30220,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169399,30220,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169399,30220,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169423,30221,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169423,30221,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169423,30221,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169445,30222,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169445,30222,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169445,30222,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169467,30223,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169467,30223,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169467,30223,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169492,30224,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,169492,30224,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169492,30224,1
P,31,TMP,phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,169492,30224,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,direct,0.25144953,,,,,,,,,,169514,30225,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169514,30225,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169515,30225,2
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169515,30225,2
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169540,30226,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,direct,0.25144953,,,,,,,,,,169541,30226,2
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169541,30226,2
C,13,adamantane,methylene protons,,,,,ppm,38.48,external,indirect,0.251449519,,,,,,,,,,169563,30227,1
N,15,N-formyl-Met-Leu-Phe-OH,nitrogen,,,,,ppm,127.88,external,indirect,0.101329112,,,,,,,,,,169563,30227,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169578,30229,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169578,30229,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169593,30230,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169593,30230,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169613,30231,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169613,30231,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169613,30231,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169630,30232,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169630,30232,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169648,30233,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169648,30233,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169648,30233,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,169667,30234,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.10132912,,,,,,,,,,169667,30234,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449582,,,,,,,,,,169684,30235,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,169684,30235,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,169684,30235,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449582,,,,,,,,,,169700,30236,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,169700,30236,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132905,,,,,,,,,,169700,30236,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449582,,,,,,,,,,169717,30237,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,169717,30237,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,169717,30237,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169732,30238,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,169751,30239,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169768,30240,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,1.0,,,,,,,,,,169768,30240,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169768,30240,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,169786,30241,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,169786,30241,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,169786,30241,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,169804,30242,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,169804,30242,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,169804,30242,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169828,30243,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169828,30243,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169828,30243,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,169853,30244,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,169874,30245,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,169874,30245,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,169874,30245,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,0,,,169896,30246,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,0,,,169896,30246,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,0,,,169896,30246,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169918,30247,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169918,30247,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169918,30247,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169939,30248,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,169957,30249,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,169957,30249,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,169957,30249,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,169979,30250,1
H,1,water,protons,,,,,ppm,4.99,internal,direct,1.0,,,,,,,,,,169980,30250,2
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,170001,30251,1
H,1,water,protons,,,,,ppm,4.99,internal,direct,1.0,,,,,,,,,,170002,30251,2
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,170023,30252,1
H,1,water,protons,,,,,ppm,4.99,internal,direct,1.0,,,,,,,,,,170024,30252,2
C,13,TSP,methyl carbons,,,,,ppm,14,external,indirect,0.25144953,,,,,,,,,,170047,30253,1
H,1,TSP,methyl protons,,,,,ppm,4.76,external,direct,1,,,,,,,,,,170047,30253,1
N,15,TSP,nitrogen,,,,,ppm,155,external,indirect,0.10136330,,,,,,,,,,170047,30253,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.1,external,direct,1,,,,,,,,,,170047,30253,1
C,13,TSP,methyl carbons,,,,,ppm,14,external,indirect,0.25144953,,,,,,,,,,170070,30254,1
H,1,TSP,methyl protons,,,,,ppm,-0.10,external,direct,1,,,,,,,,,,170070,30254,1
N,15,TSP,nitrogen,,,,,ppm,155,external,indirect,0.10136330,,,,,,,,,,170070,30254,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.10,external,direct,1,,,,,,,,,,170070,30254,1
C,13,TSP,methyl carbons,,,,,ppm,14,external,indirect,0.25144953,,,,,,,,,,170093,30255,1
H,1,TSP,methyl protons,,,,,ppm,-0.10,external,direct,1,,,,,,,,,,170093,30255,1
N,15,TSP,nitrogen,,,,,ppm,155,external,indirect,0.10136330,,,,,,,,,,170093,30255,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.10,external,direct,1,,,,,,,,,,170093,30255,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170110,30256,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170133,30257,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170133,30257,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170133,30257,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170153,30258,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170153,30258,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170153,30258,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,170169,30259,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,170185,30260,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170209,30261,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170209,30261,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170230,30262,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170230,30262,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170251,30263,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170251,30263,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170269,30265,1
C,13,water,protons,,,,,ppm,4.92,internal,indirect,0.251449530,,,,,,,,,,170288,30267,1
H,1,water,protons,,,,,ppm,4.92,internal,direct,1,,,,,,,,,,170288,30267,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170309,30268,1
P,31,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.404808636,,,,,,,,,,170309,30268,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170327,30270,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.2514419530,,,,,,,,,,170344,30271,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,170344,30271,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,170344,30271,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,indirect,1.0,,,,,,,,,,170365,30273,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,170382,30274,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,170382,30274,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,170382,30274,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170406,30275,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170406,30275,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170406,30275,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170430,30276,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170430,30276,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170430,30276,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170447,30281,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170447,30281,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170447,30281,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,170469,30282,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0,,,,,,,,,,170470,30282,2
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,170493,30283,1
H,1,water,protons,,,,,ppm,4.98,internal,direct,1.0,,,,,,,,,,170494,30283,2
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170514,30284,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170514,30284,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170514,30284,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170541,30285,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170541,30285,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170541,30285,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170563,30286,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170563,30286,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,170563,30286,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170580,30287,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170601,30288,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170601,30288,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170601,30288,1
C,13,DSS,methyl carbon,,,,,ppm,43.0,internal,indirect,1.0,,,,,,,,,,170625,30289,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,170625,30289,1
N,15,DSS,nitrogen,,,,,ppm,117.5,internal,indirect,1.0,,,,,,,,,,170625,30289,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170643,30290,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170643,30290,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170643,30290,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,170661,30291,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170678,30292,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,170708,30293,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,170708,30293,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,170708,30293,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170727,30295,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170727,30295,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170727,30295,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170746,30296,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170746,30296,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170746,30296,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170765,30297,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170765,30297,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170765,30297,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170787,30298,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170787,30298,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170787,30298,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170812,30300,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170812,30300,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170812,30300,1
C,13,water,protons,,,,,ppm,4.782,internal,indirect,0.25144953,,,,,,,,,,170831,30301,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1.0,,,,,,,,,,170831,30301,1
N,15,water,protons,,,,,ppm,4.782,internal,indirect,0.10132912,,,,,,,,,,170831,30301,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,170847,30303,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,170847,30303,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,170847,30303,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,direct,0.25144953,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,170874,30304,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,170874,30304,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,170904,30305,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,170904,30305,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,170904,30305,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,170921,30306,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170941,30307,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170941,30307,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170941,30307,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170964,30308,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170964,30308,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170964,30308,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,170984,30309,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,170984,30309,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,170984,30309,1
H,1,TSP,protons,,,,,ppm,4.78,external,direct,1.0,,,,,,,,,,171594,30340,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171007,30310,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171007,30310,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171007,30310,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171025,30311,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,171045,30312,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.000000000,,,,,,,,,,171045,30312,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,171045,30312,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,171069,30313,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,171069,30313,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,171069,30313,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171088,30314,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171088,30314,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171088,30314,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.101329118,,,,,,,,,,171104,30315,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,external,direct,1.0,,,,,,,,,,171104,30315,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.251449531,,,,,,,,,,171104,30315,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171124,30316,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171124,30316,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171124,30316,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,171146,30317,1
C,13,water,protons,,,,,ppm,4.699,external,indirect,0.25144953,,,,,,,,,,171164,30318,1
H,1,water,protons,,,,,ppm,4.699,external,direct,1,,,,,,,,,,171164,30318,1
N,15,water,protons,,,,,ppm,4.699,external,indirect,0.10132912,,,,,,,,,,171164,30318,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,171184,30319,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,171184,30319,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,171197,3032,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449528,,,,,,,,,,171214,30320,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,171214,30320,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,171231,30321,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,171231,30321,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.10132912,,,,,,,,,,171231,30321,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,171250,30322,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,171250,30322,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,171250,30322,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,171271,30323,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,171290,30324,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,171306,30325,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,171306,30325,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,171306,30325,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,171322,30326,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,171322,30326,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,171322,30326,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,171338,30327,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,171338,30327,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,171338,30327,1
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,171361,30328,1
H,1,water,protons,,,,,ppm,4.954,internal,direct,1.0,,,,,,,,,,171362,30328,2
H,1,water,protons,,,,,ppm,4.768,internal,direct,1.0,,,,,,,,,,171384,30329,1
H,1,water,protons,,,,,ppm,4.954,internal,direct,1.0,,,,,,,,,,171385,30329,2
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171409,30330,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171409,30330,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171409,30330,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171428,30331,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171428,30331,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171428,30331,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171447,30332,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171447,30332,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171447,30332,1
C,13,water,methyl protons,,,,,ppm,4.65,internal,indirect,0.25144953,,,,,,,,,,171469,30333,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.0,,,,,,,,,,171469,30333,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171485,30334,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171485,30334,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171485,30334,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171502,30335,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,171502,30335,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171521,30336,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,171521,30336,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171538,30337,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171538,30337,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171555,30338,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171555,30338,1
H,1,DSS,methyl protons,,,,,ppm,4.75,external,direct,0.25144953,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,171575,30339,1
C,12,TSP,methyl carbons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,171594,30340,1
N,15,TSP,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,171594,30340,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171610,30341,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171610,30341,1
C,13,water,protons,,,,,ppm,4.700,external,indirect,0.23144953,,,,,,,,,,171632,30342,1
H,1,water,protons,,,,,ppm,4.700,external,direct,1,,,,,,,,,,171632,30342,1
N,14,water,protons,,,,,ppm,4.700,external,indirect,0.10132912,,,,,,,,,,171632,30342,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171649,30343,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171649,30343,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171668,30344,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171668,30344,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,171692,30345,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,171692,30345,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,171692,30345,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,171711,30346,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,171729,30347,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251,,,,,,,,,,171749,30348,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,171749,30348,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101,,,,,,,,,,171749,30348,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171771,30349,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171771,30349,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171771,30349,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,171789,30350,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,171789,30350,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,171789,30350,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,171810,30351,1
C,13,water,protons,,,,,ppm,4.683,internal,indirect,0.25144253,,,,,,,,,,171831,30352,1
H,1,water,protons,,,,,ppm,4.683,internal,direct,1,,,,,,,,,,171831,30352,1
N,15,water,protons,,,,,ppm,4.683,internal,indirect,0.10132912,,,,,,,,,,171831,30352,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171858,30353,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171858,30353,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171858,30353,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,171877,30354,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171897,30355,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171897,30355,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171897,30355,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171916,30356,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171916,30356,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171916,30356,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171936,30357,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171936,30357,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171936,30357,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171955,30358,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171955,30358,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171955,30358,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,171975,30359,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,171975,30359,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,171975,30359,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,,,,,,,171988,3036,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172010,30360,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172010,30360,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172010,30360,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172033,30361,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172033,30361,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172033,30361,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172054,30362,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172054,30362,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172054,30362,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172075,30363,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172075,30363,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172075,30363,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172097,30364,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172097,30364,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172097,30364,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172116,30365,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172116,30365,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172116,30365,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172135,30366,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172135,30366,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172135,30366,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,172155,30367,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,172155,30367,1
N,14,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,172155,30367,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25,,,,,,,,,,172178,30368,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,172178,30368,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10,,,,,,,,,,172178,30368,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172196,30370,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172196,30370,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172196,30370,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,172213,30371,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172233,30372,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172233,30372,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172233,30372,1
C,13,water,methyl carbons,,,,,ppm,39,internal,indirect,1,,,,,,,,,,172256,30373,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,172256,30373,1
N,15,water,nitrogen,,,,,ppm,118,internal,indirect,1,,,,,,,,,,172256,30373,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172279,30374,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172279,30374,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172279,30374,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172298,30375,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172298,30375,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172298,30375,1
C,13,water,protons,,,,,ppm,4.78,internal,direct,0.25144953,,,,,,,,,,172317,30376,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,172317,30376,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,172336,30377,1
C,13,dioxane,methylene protons,,,,,ppm,3.75,external,indirect,0.251449531,,,,,,,,,,172353,30378,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,external,direct,1,,,,,,,,,,172353,30378,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,external,indirect,0.101329118,,,,,,,,,,172353,30378,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,external,direct,0.25144953,,,,,,,,,,172376,30379,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,172376,30379,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,172394,30380,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,172414,30381,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,172433,30382,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,172453,30383,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172475,30385,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172492,30386,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172519,30388,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172519,30388,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172519,30388,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,172535,30389,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172535,30389,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,172535,30389,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,172553,30390,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172553,30390,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,172553,30390,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,172571,30391,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172571,30391,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,172571,30391,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172594,30394,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172594,30394,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172594,30394,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172616,30395,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172616,30395,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172616,30395,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,172634,30396,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,172634,30396,1
N,15,formamide,nitrogen,,,,,ppm,112.5,external,indirect,1.0,,,,,,,,,,172634,30396,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172655,30397,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172655,30397,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172655,30397,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172676,30398,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172676,30398,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172676,30398,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172694,30399,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172694,30399,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172694,30399,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,172724,30400,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172753,30401,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172753,30401,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172753,30401,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,172772,30402,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172804,30403,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172804,30403,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172804,30403,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172822,30404,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172822,30404,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172822,30404,1
H,1,water,methylene protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,172841,30405,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172859,30406,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172859,30406,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172859,30406,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,172877,30407,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,172895,30408,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,172895,30408,1
N,15,formamide,nitrogen,,,,,ppm,112.5,external,indirect,1.0,,,,,,,,,,172895,30408,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172917,30409,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172917,30409,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172917,30409,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172947,30410,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172947,30410,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172947,30410,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,172964,30411,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,172981,30412,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,172981,30412,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,172981,30412,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,173000,30413,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,173016,30414,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,173032,30415,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173048,30416,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173048,30416,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173048,30416,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173065,30417,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173065,30417,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173065,30417,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173084,30418,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173084,30418,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,external,direct,1,,,,,,,,,,173101,30419,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.101329118,,,,,,,,,,173101,30419,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,external,direct,1,,,,,,,,,,173118,30420,1
N,15,dioxane,methylene protons,,,,,ppm,3.75,na,indirect,0.101329118,,,,,,,,,,173118,30420,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173139,30421,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173139,30421,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173139,30421,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,173158,30422,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,173158,30422,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,173175,30423,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173175,30423,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,173175,30423,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,173196,30424,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173220,30425,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,1.0,,,,,,,,,,173220,30425,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173244,30426,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,1.0,,,,,,,,,,173244,30426,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173259,30427,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173259,30427,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173259,30427,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173275,30428,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173275,30428,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173275,30428,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173291,30429,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173291,30429,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173291,30429,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173307,30430,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173307,30430,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173307,30430,1
C,13,DSS,methylene protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173325,30431,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173325,30431,1
N,15,DSS,methylene protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173325,30431,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173341,30432,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173341,30432,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173341,30432,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173357,30433,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173357,30433,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173357,30433,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173373,30434,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173373,30434,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173373,30434,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,173389,30435,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.000000000,,,,,,,,,,173389,30435,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,173389,30435,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,173409,30436,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,173409,30436,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,173409,30436,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,173428,30437,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,173428,30437,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,173428,30437,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,173447,30438,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,173447,30438,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,173447,30438,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173464,30439,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173464,30439,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173464,30439,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173482,30440,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173482,30440,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173482,30440,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173500,30441,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173500,30441,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173500,30441,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173518,30442,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173518,30442,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173518,30442,1
C,13,TMS,methyl carbons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,173537,30443,1
H,1,TMS,protons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,173537,30443,1
N,15,formamide,nitrogen,,,,,Hz,112.5,external,indirect,1.0,,,,,,,,,,173537,30443,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251,,,,,,,,,,173559,30444,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,173559,30444,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101,,,,,,,,,,173559,30444,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173578,30445,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173578,30445,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173578,30445,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173596,30446,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173596,30446,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173611,30447,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173611,30447,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173627,30448,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173627,30448,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173645,30449,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173645,30449,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173663,30450,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173663,30450,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173663,30450,1
C,13,TMS,methyl carbons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,173682,30451,1
H,1,TMS,protons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,173682,30451,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173710,30452,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173710,30452,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173710,30452,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173730,30453,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,separate tube (no insert) similar to the experimental sample tube,other,,,,,,,,173747,30454,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,separate tube (no insert) similar to the experimental sample tube,other,,,,,,,,173747,30454,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173777,30456,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173777,30456,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173777,30456,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173796,30457,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173796,30457,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173796,30457,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,173815,30458,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,173815,30458,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,173815,30458,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173832,30459,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173850,30460,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173868,30461,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173886,30462,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173904,30463,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173922,30464,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173940,30465,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173958,30466,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173976,30467,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,173994,30468,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174013,30469,1
H,1,DSS,protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174013,30469,1
N,15,DSS,nitrogen,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174013,30469,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,internal,indirect,0.25144953,,,,,,,,,,174032,30470,1
H,1,DSS,methyl carbons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,174032,30470,1
N,15,DSS,methyl carbons,,,,,ppm,0.00,internal,indirect,0.10132912,,,,,,,,,,174032,30470,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174048,30471,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174048,30471,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174048,30471,1
C,13,N-formyl-Met-Leu-Phe-OH (f-MLF),methyl carbons,,,,,ppm,14,internal,indirect,1.0,,,,,,,,,,174070,30472,1
F,19,Teflon,fluorine,,,,,ppm,-122,internal,direct,1.0,,,,,,,,,,174070,30472,1
H,1,water,protons,,,,,Hz,4.76,internal,indirect,1.0,,,,,,,,,,174093,30473,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174111,30474,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174111,30474,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174111,30474,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,174131,30475,1
H,1,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,174131,30475,1
N,15,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,174131,30475,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174146,30476,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174146,30476,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174167,30477,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174167,30477,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174167,30477,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174189,30478,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174189,30478,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174189,30478,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174208,30479,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174208,30479,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174208,30479,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174226,30480,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174226,30480,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174226,30480,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,174245,30481,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,174245,30481,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,174245,30481,1
C,13,TMS,methyl carbons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,174265,30482,1
H,1,TMS,protons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,174265,30482,1
N,15,formamide,nitrogen,,,,,Hz,112.5,external,indirect,1.0,,,,,,,,,,174265,30482,1
C,13,TMSP-d4,protons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,174287,30483,1
H,1,TMSP-d4,protons,,,,,Hz,0,internal,direct,,,,,,,,,,,174287,30483,1
N,15,formamide,nitrogen,,,,,Hz,112.5,external,indirect,,,,,,,,,,,174287,30483,1
H,1,water,protons,,,,,ppm,4.76,internal,indirect,1.0,,,,,,,,,,174313,30484,1
H,1,water,protons,,,,,ppm,4.76,internal,indirect,1.0,,,,,,,,,,174336,30485,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174354,30486,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174371,30487,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174371,30487,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174388,30488,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174388,30488,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174405,30489,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174422,30490,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,174442,30491,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,174442,30491,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,174442,30491,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,174463,30492,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,174463,30492,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,174463,30492,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174493,30493,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174493,30493,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174493,30493,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174522,30494,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174522,30494,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174522,30494,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174540,30495,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174540,30495,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174540,30495,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174558,30496,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174576,30497,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174597,30498,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174616,30499,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174638,30500,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174638,30500,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,174661,30501,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174684,30502,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174684,30502,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174684,30502,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174707,30503,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174707,30503,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174707,30503,1
C,13,water,protons,,,,,ppm,4.782,internal,indirect,0.25144953,,,,,,,,,,174726,30504,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1.0,,,,,,,,,,174726,30504,1
N,15,water,protons,,,,,ppm,4.782,internal,indirect,0.10132912,,,,,,,,,,174726,30504,1
C,13,water,protons,,,,,ppm,4.782,internal,indirect,0.25144953,,,,,,,,,,174745,30505,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1.0,,,,,,,,,,174745,30505,1
N,15,water,protons,,,,,ppm,4.782,internal,indirect,0.10132912,,,,,,,,,,174745,30505,1
H,1,water,protons,,,,,ppm,4.76,internal,indirect,1.0,,,,,,,,,,174767,30506,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,174786,30507,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174801,30508,1
H,1,TSP,protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,174817,30509,1
C,13,DSS,methyl carbons,,,,,Hz,25144953,internal,indirect,0.25144953,,,,,,,,,,174839,30510,1
H,1,water,protons,,,,,ppm,4.706,na,direct,1,,,,,,,,,,174839,30510,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,Hz,10132911.8,external,indirect,0.101329118,,,,,,,,,,174839,30510,1
C,13,DSS,methyl carbons,,,,,Hz,25144953.0,internal,indirect,0.25144953,,,,,,,,,,174863,30511,1
H,1,water,protons,,,,,ppm,4.706,na,direct,1,,,,,,,,,,174863,30511,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,Hz,10132911.8,external,indirect,0.101329118,,,,,,,,,,174863,30511,1
C,13,DSS,methyl carbons,,,,,Hz,25144953,internal,indirect,0.25144953,,,,,,,,,,174884,30512,1
H,1,water,protons,,,,,ppm,4.706,na,direct,1,,,,,,,,,,174884,30512,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,Hz,10132911.8,external,indirect,0.101329118,,,,,,,,,,174884,30512,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25,,,,,,,,,,174902,30513,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,174902,30513,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,,,,,,,,,,,174902,30513,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174920,30514,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174920,30514,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174920,30514,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174941,30515,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174941,30515,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174941,30515,1
C,13,TSP,methyl protons,,,,,Hz,0.000,internal,indirect,0.25144953,,,,,,,,,,174959,30516,1
H,1,TSP,methyl protons,,,,,Hz,0.000,internal,direct,1.0,,,,,,,,,,174959,30516,1
N,15,TSP,methyl protons,,,,,Hz,0.000,internal,indirect,0.10132912,,,,,,,,,,174959,30516,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,174993,30517,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,174993,30517,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,174993,30517,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,175014,30518,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,0.251449530,,,,,,,,,,175033,30519,1
H,1,DSS,protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,175033,30519,1
N,15,DSS,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,175033,30519,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1.0,,,,,,,,,,175050,30520,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,175066,30521,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,175084,30522,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175107,30523,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175107,30523,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175107,30523,1
H,1,DSS,methyl protons,,,,,ppm,4.78,external,indirect,1.0,,,,,,,,,,175133,30524,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25145,,,,,,,,,,175150,30525,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000,,,,,,,,,,175150,30525,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101323,,,,,,,,,,175150,30525,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175170,30527,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175170,30527,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175170,30527,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,2.51449530,,,,,,,,,,175197,30528,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,175197,30528,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,175197,30528,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175220,30529,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175220,30529,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175220,30529,1
H,1,Deuterium Oxide,protons,,,,,ppm,4.80,internal,direct,1,,,,,,,,,,175236,30530,1
C,13,water,protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,175257,30531,1
H,1,water,protons,,,,,ppm,0,na,indirect,1.0,,,,,,,,,,175257,30531,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175279,30532,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175279,30532,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175279,30532,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175306,30533,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175306,30533,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175306,30533,1
C,13,water,protons,,,,,ppm,4.7,external,indirect,0.25144953,,,,,,,,,,175325,30534,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1,,,,,,,,,,175325,30534,1
N,15,water,protons,,,,,ppm,4.7,external,indirect,0.101329118,,,,,,,,,,175325,30534,1
C,13,water,protons,,,,,ppm,4.7,external,indirect,0.25144953,,,,,,,,,,175345,30535,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1,,,,,,,,,,175345,30535,1
N,15,water,protons,,,,,ppm,4.7,external,indirect,0.101329118,,,,,,,,,,175345,30535,1
C,13,water,protons,,,,,ppm,4.7,external,indirect,0.25144953,,,,,,,,,,175365,30536,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1,,,,,,,,,,175365,30536,1
N,15,water,protons,,,,,ppm,4.7,external,indirect,0.101329118,,,,,,,,,,175365,30536,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175386,30537,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175386,30537,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175386,30537,1
C,13,water,protons,,,,,ppm,4.754664603,external,indirect,0.25144953,,,,,,,,,,175404,30538,1
H,1,water,protons,,,,,ppm,4.754664603,external,direct,1,,,,,,,,,,175404,30538,1
N,15,water,protons,,,,,ppm,4.754664603,external,indirect,0.101329118,,,,,,,,,,175404,30538,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175431,30543,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175431,30543,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175431,30543,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175455,30544,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175481,30545,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175481,30545,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175481,30545,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175501,30546,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,1.0,,,,,,,,,,175501,30546,1
P,31,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.404808636,,,,,,,,,,175501,30546,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175518,30547,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,1.0,,,,,,,,,,175518,30547,1
P,31,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.404808636,,,,,,,,,,175518,30547,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,1.0,,,,,,,,,,175536,30548,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175557,30550,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175557,30550,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175557,30550,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175585,30551,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175585,30551,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175585,30551,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175604,30552,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,175604,30552,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175625,30553,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175625,30553,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175625,30553,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175646,30554,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175646,30554,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175646,30554,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175666,30555,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175666,30555,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175666,30555,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175686,30556,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175686,30556,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175686,30556,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175703,30557,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175703,30557,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175703,30557,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175720,30558,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175720,30558,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175720,30558,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175738,30559,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175738,30559,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175738,30559,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175765,30560,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175765,30560,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175765,30560,1
H,1,water,protons,,,,,ppm,0.0,na,indirect,1.0,,,,,,,,,,175783,30561,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,175803,30562,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175827,30565,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175827,30565,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175827,30565,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175844,30566,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,175862,30567,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175881,30568,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175907,30569,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175907,30569,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175907,30569,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,175933,30570,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,175933,30570,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,175933,30570,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175953,30571,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175953,30571,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175953,30571,1
C,13,adamantane,methyl carbons,,,,,ppm,38.48,external,direct,0.25,,,,,,,,,,175974,30572,1
N,15,NAV,nitrogen,,,,,ppm,122.00,external,direct,0.1,,,,,,,,,,175974,30572,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,175991,30573,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,175991,30573,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,175991,30573,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176008,30574,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176008,30574,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176008,30574,1
C,13,DSS,methyl carbons,,,,,ppm,67.84,internal,indirect,0.25,,,,,,,,,,176028,30575,1
H,1,DSS,methyl protons,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,176028,30575,1
N,15,DSS,nitrogen,,,,,ppm,118.32,internal,indirect,0.10,,,,,,,,,,176028,30575,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,176057,30576,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,176057,30576,1
H,1,DSS,methyl protons,,,,,Hz,1.0,internal,direct,1.0,,,,,,,,,,176075,30577,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,176096,30579,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,176096,30579,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132912,,,,,,,,,,176096,30579,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,176117,30580,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,176117,30580,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132912,,,,,,,,,,176117,30580,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176138,30583,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176138,30583,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176138,30583,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176164,30584,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176164,30584,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176164,30584,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,176191,30585,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176205,30586,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176219,30587,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176233,30588,1
C,13,indirect,na,,,,,Hz,-6.625,external,indirect,0.25,,,,,,,,,,176254,30590,1
H,1,DSS,protons,,,,,Hz,-26.5,external,direct,0,,,,,,,,,,176254,30590,1
N,15,indirect,na,,,,,Hz,0.265,external,indirect,-0.1,,,,,,,,,,176254,30590,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176278,30591,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176278,30591,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176278,30591,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176295,30592,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176295,30592,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176295,30592,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,176311,30593,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.0,,,,,,,,,,176311,30593,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,176311,30593,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,176328,30594,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.0,,,,,,,,,,176328,30594,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,176328,30594,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,176345,30595,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.0,,,,,,,,,,176345,30595,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,176345,30595,1
C,13,alanine,carbonyl carbon,,,,,ppm,177.95,external,direct,1.0,,,,,,,,,,176366,30596,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,176384,30597,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,176384,30597,1
C,13,water,protons,,,,,ppm,4.7546646,external,indirect,0.25144953,,,,,,,,,,176406,30598,1
H,1,water,protons,,,,,ppm,4.7546646,external,direct,1,,,,,,,,,,176406,30598,1
N,15,water,protons,,,,,ppm,4.7546646,external,indirect,0.101329118,,,,,,,,,,176406,30598,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,176426,30599,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,176426,30599,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,176426,30599,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,176440,306,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,176457,30600,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,176457,30600,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,176457,30600,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,176474,30601,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.0,,,,,,,,,,176474,30601,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,176474,30601,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176497,30602,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176497,30602,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,176515,30603,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,176515,30603,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,176515,30603,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,insert at outer edge of experimental sample tube,cylindrical,,,,,,,,176532,30604,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,insert at outer edge of experimental sample tube,cylindrical,,,,,,,,176532,30604,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,insert at outer edge of experimental sample tube,cylindrical,,,,,,,,176532,30604,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,,,,,,,,,,176552,30605,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,176552,30605,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,direct,0.101329118,,,,,,,,,,176552,30605,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,176574,30606,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,176574,30606,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,176574,30606,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,1.0,,,,,,,,,,176596,30607,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176619,30608,1
H,2,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.153506088,,,,,,,,,,176619,30608,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176619,30608,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176645,30609,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176645,30609,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176645,30609,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176666,30610,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176666,30610,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176666,30610,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,176686,30611,1
H,1,water,protons,,,,,ppm,4.773,internal,indirect,1.0,,,,,,,,,,176686,30611,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10132912,,,,,,,,,,176686,30611,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176702,30613,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176702,30613,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176702,30613,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176718,30614,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176718,30614,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176718,30614,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1,,,,,,,,,,176750,30615,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,176750,30615,1
H,1,water,protons,,,,,ppm,4.7,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,176781,30616,1
N,15,[15N] ammonium sulfate,nitrogen,,,,,ppm,0.000,external,direct,1,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,176781,30616,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176800,30617,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176800,30617,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176800,30617,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176819,30618,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176819,30618,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176819,30618,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176837,30619,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176837,30619,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176837,30619,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176855,30620,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176855,30620,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176855,30620,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176873,30621,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176873,30621,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176873,30621,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176895,30622,1
H,1,DSS,methyl protons,,,,,ppm,0.0000,internal,direct,1.0,,,,,,,,,,176895,30622,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176895,30622,1
H,1,water,protons,,,,,ppm,4.811,na,direct,1,,,,,,,,,,176914,30623,1
H,2,Deuterium Oxide,protons,,,,,ppm,4.8,na,indirect,1.0,,,,,,,,,,176934,30625,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176952,30626,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176952,30626,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176952,30626,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176972,30627,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176972,30627,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176972,30627,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,176993,30628,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,176993,30628,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,176993,30628,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177014,30629,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177014,30629,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177014,30629,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,177033,30630,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177051,30631,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177071,30632,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177071,30632,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177071,30632,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.2514,,,,,,,,,,177087,30633,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,177087,30633,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.1013,,,,,,,,,,177087,30633,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177107,30634,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177107,30634,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177107,30634,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177128,30635,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177128,30635,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177128,30635,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177149,30636,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177149,30636,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177149,30636,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177171,30637,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177171,30637,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177171,30637,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177193,30638,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177193,30638,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177193,30638,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177231,30639,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177231,30639,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177231,30639,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177269,30640,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177269,30640,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177269,30640,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177290,30641,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177311,30642,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177332,30643,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177357,30644,1
C,13,adamantane,methyl carbons,,,,,ppm,38.48,external,direct,0.25,,,,,,,,,,177375,30645,1
N,15,NAV,nitrogen,,,,,ppm,122.00,external,direct,0.1,,,,,,,,,,177375,30645,1
C,13,adamantane,methyl carbons,,,,,ppm,38.48,external,direct,0.25,,,,,,,,,,177394,30646,1
N,15,NAV,nitrogen,,,,,ppm,122.00,external,direct,0.1,,,,,,,,,,177394,30646,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,0.25,,,,,,,,,,177410,30647,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,0.1,,,,,,,,,,177427,30648,1
C,13,TMS,protons,,,,,Hz,0,internal,direct,,,,,,,,,,,177455,30650,1
H,1,TMS,protons,,,,,Hz,0,internal,direct,1.0,,,,,,,,,,177455,30650,1
H,2,methanol,methyl protons,,,,,ppm,3.33,internal,indirect,1.0,,,,,,,,,,177473,30651,1
C,13,water,protons,,,,,ppm,46.29,internal,indirect,0.251449530,,,,,,,,,,177490,30652,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,0,,,,,,,,,,177490,30652,1
N,15,water,protons,,,,,ppm,118.976,internal,indirect,0.101329118,,,,,,,,,,177490,30652,1
C,13,water,protons,,,,,ppm,46.29,internal,indirect,0.251449530,,,,,,,,,,177506,30653,1
H,1,water,protons,,,,,ppm,4.754,internal,direct,1.0,,,,,,,,,,177506,30653,1
N,15,water,protons,,,,,ppm,118.976,internal,indirect,0.101329118,,,,,,,,,,177506,30653,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,177526,30654,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.101,,,,,,,,,,177555,30655,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.00,,,,,,,,,,177555,30655,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.251,,,,,,,,,,177555,30655,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.101,,,,,,,,,,177583,30656,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,177583,30656,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.251,,,,,,,,,,177583,30656,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,177601,30657,1
N,15,urea,nitrogen,,,,,ppm,77,external,direct,1.0,,,,,,,,,,177601,30657,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,177602,30657,2
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177624,30658,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177624,30658,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177624,30658,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177648,30659,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177648,30659,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177648,30659,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177669,30660,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177669,30660,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177669,30660,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177694,30661,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177694,30661,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177694,30661,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177716,30662,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177716,30662,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177716,30662,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177738,30663,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177738,30663,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177738,30663,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177760,30664,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177760,30664,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177760,30664,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177776,30665,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177776,30665,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,177793,30666,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,177811,30667,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,177830,30668,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,177850,30669,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,177870,30670,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,177890,30671,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177911,30672,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177911,30672,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177911,30672,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177932,30673,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177952,30674,1
C,13,DSS,methyl protons,,,,,ppm,4.87,internal,indirect,0.251449530,,,,,,,,,,177968,30676,1
H,1,DSS,methyl protons,,,,,ppm,4.87,internal,direct,1,,,,,,,,,,177968,30676,1
N,15,DSS,methyl protons,,,,,ppm,4.87,internal,indirect,0.101329118,,,,,,,,,,177968,30676,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,177992,30677,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,177992,30677,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,177992,30677,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178018,30678,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178018,30678,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178018,30678,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178035,30679,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178035,30679,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178035,30679,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178055,30680,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178055,30680,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178055,30680,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,178076,30681,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,178076,30681,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,178076,30681,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178094,30684,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178094,30684,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178094,30684,1
H,1,water,protons,,,,,ppm,4.88,internal,direct,1.0,,,,,,,,,,178117,30688,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,178133,30690,1
H,1,water,protons,,,,,ppm,4.771,na,direct,1.0,,,,,,,,,,178133,30690,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,178133,30690,1
C,13,TSP,methyl protons,,,,,ppm,0.000,na,indirect,0.25146166,,,,,,,,,,178156,30691,1
H,1,TSP,methyl protons,,,,,ppm,0.000,na,direct,1.0,,,,,,,,,,178156,30691,1
N,15,TSP,methyl protons,,,,,ppm,0.000,na,indirect,0.10134107,,,,,,,,,,178156,30691,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178174,30693,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178174,30693,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178174,30693,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178199,30694,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178199,30694,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178199,30694,1
C,13,water,protons,,,,,ppm,4.78,external,indirect,0.25144953,,,,,,,,,,178216,30695,1
H,1,water,protons,,,,,ppm,4.78,external,direct,1,,,,,,,,,,178216,30695,1
N,15,water,protons,,,,,ppm,4.78,external,indirect,0.101329118,,,,,,,,,,178216,30695,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178239,30696,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178239,30696,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178239,30696,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,178262,30697,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,178285,30698,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,178311,30699,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,178325,307,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,178347,30700,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178371,30702,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178371,30702,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178371,30702,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.25144,,,,,,,,,,178389,30703,1
H,1,TMS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,178389,30703,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.1014,,,,,,,,,,178389,30703,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.2514,,,,,,,,,,178410,30704,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,178410,30704,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.10136,,,,,,,,,,178410,30704,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.2514,,,,,,,,,,178433,30705,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,178433,30705,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.10136,,,,,,,,,,178433,30705,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178452,30706,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178452,30706,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178452,30706,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178472,30707,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178472,30707,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178472,30707,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178492,30708,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178492,30708,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178492,30708,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178513,30710,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178513,30710,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178513,30710,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,178532,30711,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,178532,30711,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,178532,30711,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178553,30712,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178553,30712,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178553,30712,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178576,30713,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178576,30713,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178576,30713,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178598,30714,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178598,30714,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178598,30714,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178622,30718,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178622,30718,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178622,30718,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,178639,30719,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,0.251449530,,,,,,,,,,178658,30720,1
H,1,DSS,protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,178658,30720,1
N,15,DSS,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,178658,30720,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.251,,,,,,,,,,178676,30722,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,178676,30722,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.10137,,,,,,,,,,178676,30722,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,178695,30723,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,178736,30724,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,178761,30727,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,178761,30727,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,178761,30727,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,178781,30729,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,178802,30730,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,178802,30730,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,178802,30730,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,178828,30734,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,178854,30735,1
C,13,TMS,methyl carbon,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,178880,30738,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,178880,30738,1
N,15,urea,nitrogen,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,178880,30738,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,178906,30739,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,178906,30739,1
N,15,urea,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,178906,30739,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,178932,30740,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,178932,30740,1
N,15,urea,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,178932,30740,1
C,13,adamantane,methyl carbons,,,,,ppm,40.5,external,direct,0.25144953,,,,,,,,,,178962,30741,1
N,15,ammonium chloride,nitrogen,,,,,ppm,39.3,external,direct,0.10132912,,,,,,,,,,178962,30741,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,178980,30744,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,178980,30744,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,178999,30745,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,178999,30745,1
C,13,water,protons,,,,,ppm,4.769,internal,indirect,0.25144953,,,,,,,,,,179017,30747,1
H,1,water,protons,,,,,ppm,4.769,internal,direct,1,,,,,,,,,,179017,30747,1
C,13,water,protons,,,,,ppm,4.769,internal,indirect,0.25144953,,,,,,,,,,179038,30748,1
H,1,water,protons,,,,,ppm,4.769,internal,direct,1.0,,,,,,,,,,179038,30748,1
C,13,water,protons,,,,,ppm,4.769,internal,indirect,0.25144953,,,,,,,,,,179057,30749,1
H,1,water,protons,,,,,ppm,4.769,internal,direct,1.0,,,,,,,,,,179057,30749,1
N,15,water,protons,,,,,ppm,4.769,internal,indirect,0.10132912,,,,,,,,,,179057,30749,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,179078,30750,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,179099,30755,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,179099,30755,1
N,15,urea,nitrogen,,,,,ppm,76.8,external,direct,1.0,,,,,,,,,,179099,30755,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,179120,30757,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179120,30757,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,179120,30757,1
H,1,water,methyl protons,,,,,ppm,4.76,internal,direct,1,,,,,,,,,,179141,30758,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,179163,30763,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179163,30763,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,179163,30763,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,179183,30765,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179183,30765,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,179183,30765,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,179214,30770,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179214,30770,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,179214,30770,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,179236,30771,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179236,30771,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,179236,30771,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,180614,34042,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,179259,30772,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179259,30772,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,179259,30772,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,179282,30774,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179282,30774,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,179282,30774,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,179295,3078,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,179313,30783,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,179313,30783,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,179313,30783,1
C,13,DSS,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,179331,30784,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,179331,30784,1
N,15,DSS,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,179331,30784,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,179350,30788,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,179350,30788,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,179350,30788,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,179375,30789,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179388,3079,1
H,1,water,protons,,,,,ppm,4.701,internal,direct,1.0,,,,,,,,,,179413,30794,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,179433,30795,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,direct,1.0,,,,,,,,,,179433,30795,1
C,13,TMS,nitrogen,,,,,ppm,0,external,indirect,,,,,,,,,,,179453,30799,1
H,1,TMS,protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,179453,30799,1
N,15,TMS,carbonyl carbon,,,,,ppm,0,external,indirect,,,,,,,,,,,179453,30799,1
H,,HOD,,,,,,ppm,4.76,,,,,,,,,,,,,179466,308,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,,,,,,,179479,3084,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,,,,,,,179492,3085,1
H,,HOD,,,,,,ppm,4.76,,,,,,,,,,,,,179505,309,1
H,,HOD,,,,,,ppm,4.76,,,,,,,,,,,,,179518,311,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179531,3118,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,179544,3119,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179579,314,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,179595,316,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,179611,317,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179624,32,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179638,321,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,179649,325,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,,,,,,,179662,326,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,179675,327,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179689,329,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,,,,,,,179705,330,1
H,,H2O/HDO,,,,,,ppm,4.6,,,,,,,1,entry_citation,,,1,entry_citation,179720,331,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,179743,3322,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,179743,3322,1
C,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179756,335,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179771,336,1
H,1,TSP,methyl protons,,,,,ppm,0,,,,,,,,,,,,,179786,337,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179799,338,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179812,339,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,179826,3394,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,179839,340,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,179857,34000,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179857,34000,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,179857,34000,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,179875,34001,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179875,34001,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,179875,34001,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,179893,34002,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179893,34002,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,179893,34002,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,179914,34003,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,179914,34003,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,179914,34003,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,179931,34004,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,179931,34004,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,179931,34004,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,179951,34005,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179951,34005,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,179951,34005,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,179969,34006,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179969,34006,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,179969,34006,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,179987,34007,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,179987,34007,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,179987,34007,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180004,34008,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180004,34008,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180004,34008,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180020,34009,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180020,34009,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180020,34009,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180036,34010,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180036,34010,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180036,34010,1
C,13,HDO,protons,,,,,ppm,4.78,internal,indirect,0.251449519,,,,,,,,,,180053,34011,1
H,1,HDO,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,180053,34011,1
C,13,Alanine,methyl carbons,,,,,ppm,20.5,external,direct,0.251144953,,,,,,,,,,180073,34012,1
N,15,Alanine,nitrogen,,,,,ppm,41.4,external,direct,0.251144953,,,,,,,,,,180073,34012,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,180096,34013,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,180096,34013,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,180096,34013,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,1.0,,,,,,,,,,180115,34014,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,180115,34014,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,1.0,,,,,,,,,,180115,34014,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,-2.723,,,180134,34015,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,-0.056,,,180134,34015,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,-0.079,,,180134,34015,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180150,34016,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,180169,34017,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180186,34018,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180186,34018,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180186,34018,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180208,34019,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180208,34019,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180208,34019,1
C,13,water,protons,,,,,ppm,4.8,internal,indirect,0.25144953,,,,,,,,,,180227,34022,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,180227,34022,1
N,15,water,protons,,,,,ppm,4.8,internal,indirect,0.10132912,,,,,,,,,,180227,34022,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,180245,34024,1
H,1,water,protons,,,,,ppm,4.78,internal,indirect,1.0,,,,,,,,,,180245,34024,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.10132912,,,,,,,,,,180245,34024,1
H,1,TMS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180268,34025,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,180291,34026,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180291,34026,1
N,15,DSS,nitrogen,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,180291,34026,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180307,34027,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180307,34027,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180307,34027,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,180326,34028,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,180347,34029,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,180347,34029,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,180347,34029,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180368,34030,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180368,34030,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180368,34030,1
C,13,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180388,34031,1
H,1,TMS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180388,34031,1
N,15,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180388,34031,1
C,13,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180409,34032,1
H,1,TMS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180409,34032,1
N,15,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180409,34032,1
C,13,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180431,34033,1
H,1,TMS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180431,34033,1
N,15,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,180431,34033,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,180450,34034,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,180469,34035,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180487,34036,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180487,34036,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180487,34036,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,180509,34037,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1,,,,,,,,,,180509,34037,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,180509,34037,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,180529,34038,1
C,13,water,protons,,,,,ppm,4.75,internal,indirect,0.25144953,,,,,,no correction,,,,180548,34039,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1,,,,,,no correction,,,,180548,34039,1
N,15,water,protons,,,,,ppm,4.75,internal,indirect,0.10132912,,,,,,no correction,,,,180548,34039,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,180563,3404,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,180578,34040,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,direct,1,,,,,,,,,,180598,34041,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1,,,,,,,,,,180598,34041,1
N,15,urea,nitrogen,,,,,ppm,75,na,direct,1,,,,,,,,,,180598,34041,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,180614,34042,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.10132912,,,,,,,,,,180614,34042,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180631,34043,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180631,34043,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180631,34043,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180650,34044,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180650,34044,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180650,34044,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,180669,34045,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,temperature,,,,180669,34045,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,180669,34045,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180688,34046,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180688,34046,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180688,34046,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180706,34047,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180706,34047,1
N,15,DSS,nitrogen,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180706,34047,1
C,13,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180725,34048,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,180725,34048,1
N,15,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180725,34048,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,180743,34049,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,180764,34050,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,180782,34051,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,180800,34052,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,180800,34052,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,180800,34052,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,180825,34053,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,180845,34054,1
H,1,DSS,protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,180864,34055,1
N,15,DSS,nitrogen,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,180864,34055,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,180882,34056,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,180907,34057,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,180907,34057,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,180907,34057,1
C,13,DMSO,methyl carbons,,,,,ppm,0,na,direct,1,,,,,,,,,,180931,34058,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1,,,,,,,,,,180931,34058,1
N,15,urea,nitrogen,,,,,ppm,75,na,direct,1,,,,,,,,,,180931,34058,1
H,1,water,protons,,,,,ppm,4.85,internal,direct,1,,,,,,,,,,180948,34059,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180970,34060,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,180970,34060,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,180994,34061,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,180994,34061,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,180994,34061,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181016,34062,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,181016,34062,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,181035,34063,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,181035,34063,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181057,34064,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181057,34064,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181078,34065,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181078,34065,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181098,34066,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181098,34066,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181118,34067,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181118,34067,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181118,34067,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181136,34068,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181136,34068,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181136,34068,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,181156,34069,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,181156,34069,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,181156,34069,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181174,34070,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,181192,34071,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,181215,34072,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,181215,34072,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,181215,34072,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181236,34073,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181236,34073,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181236,34073,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181254,34074,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181272,34075,1
C,13,TSP,methyl protons,,,,,ppm,0,na,indirect,0.25144954,,,,,,,,,,181293,34076,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,181293,34076,1
N,15,TSP,methyl protons,,,,,ppm,0,na,indirect,0.10132900,,,,,,,,,,181293,34076,1
C,13,water,protons,,,,,ppm,4.81,internal,indirect,0.251449530,,,,,,,,,,181316,34077,1
H,1,water,protons,,,,,ppm,4.81,internal,direct,1.0,,,,,,,,,,181316,34077,1
N,15,water,protons,,,,,ppm,4.81,internal,indirect,0.101329118,,,,,,,,,,181316,34077,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181334,34078,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181334,34078,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181334,34078,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181360,34079,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181360,34079,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181360,34079,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181386,34080,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181386,34080,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181386,34080,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.25144953,,,,,,,,,,181401,34081,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,181401,34081,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181421,34082,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181421,34082,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181421,34082,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,181440,34083,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,181459,34084,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181478,34085,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181478,34085,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181478,34085,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,181502,34086,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181520,34087,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181549,34088,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181549,34088,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181549,34088,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,181586,34089,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,181586,34089,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,181586,34089,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181602,34090,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181618,34091,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181634,34092,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181654,34093,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181654,34093,1
C,13,DSS,methyl carbons,,,,,Hz,-343.89,na,indirect,0.25,,,,,,,,,,181683,34094,1
H,1,DSS,methyl protons,,,,,Hz,-35.86,na,indirect,1.00,,,,,,,,,,181683,34094,1
N,15,DSS,nitrogen,,,,,Hz,-4.49,na,indirect,0.1,,,,,,,,,,181683,34094,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181704,34095,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181704,34095,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181704,34095,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,181724,34098,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,181744,34099,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,181757,341,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144953,,,,,,,,,,181780,34100,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,181780,34100,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.10132912,,,,,,,,,,181780,34100,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181801,34101,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181801,34101,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181801,34101,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181823,34102,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181823,34102,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181823,34102,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,181849,34103,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,181875,34104,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181894,34105,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181894,34105,1
C,13,TMS,methyl carbons,,,,,ppm,0,na,indirect,0.25145020,,,,,,,,,,181913,34106,1
H,1,water,protons,,,,,ppm,4.64,internal,direct,1,,,,,,,,,,181913,34106,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.10132912,,,,,,,,,,181913,34106,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181932,34108,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181932,34108,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181932,34108,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,181950,34109,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181950,34109,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181950,34109,1
C,13,TSP,methyl carbons,,,,,ppm,0.000,internal,direct,0.25144953,,,,,,,,,,181969,34110,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,181969,34110,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,181969,34110,1
C,13,TSP,methyl carbons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,181987,34111,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.00,,,,,,,,,,181987,34111,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,181987,34111,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182004,34112,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182004,34112,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182004,34112,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182023,34113,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182023,34113,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182023,34113,1
H,1,TMS,methyl protons,,,,,ppm,0.000,na,direct,1.0,,,,,,,,,,182042,34114,1
C,13,water,protons,,,,,ppm,40,internal,indirect,0.251449530,,,,,,,,,,182070,34115,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,182070,34115,1
N,15,water,protons,,,,,ppm,115.4,internal,indirect,0.101329118,,,,,,,,,,182070,34115,1
H,1,water,protons,,,,,ppm,4.52,internal,direct,1.0,,,,,,,,,,182088,34116,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,182106,34118,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,182127,34119,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182144,34120,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182144,34120,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,182165,34121,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1,,,,,,,,,,182165,34121,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,182165,34121,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,182184,34122,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,182184,34122,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,182184,34122,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182200,34123,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182200,34123,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182200,34123,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182216,34124,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182216,34124,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182216,34124,1
H,1,Deuterium Oxide,protons,,,,,ppm,4.55,na,direct,1,,,,,,,,,,182240,34125,1
H,1,water,protons,,,,,ppm,4.55,na,direct,1,,,,,,,,,,182240,34125,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,182260,34126,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,182260,34126,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,182260,34126,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,182280,34127,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,182280,34127,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,182280,34127,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.25144953,,,,,,,,,,182300,34129,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,182300,34129,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182317,34130,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182317,34130,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,182349,34131,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182349,34131,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,182349,34131,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182366,34132,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182366,34132,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182366,34132,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182383,34133,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182383,34133,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182383,34133,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182400,34134,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,182418,34135,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,182435,34136,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,182451,34137,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182469,34138,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182488,34139,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,1.0,,,,,,,,,,182488,34139,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182488,34139,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182511,34140,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182511,34140,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182511,34140,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182529,34141,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182529,34141,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182529,34141,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182547,34142,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182547,34142,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182547,34142,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182565,34143,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182565,34143,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182565,34143,1
C,13,water,protons,,,,,ppm,42.763,external,indirect,0.25144953,,,,,,,,,,182585,34144,1
H,1,water,protons,,,,,ppm,4.773,external,direct,1,,,,,,,,,,182585,34144,1
N,15,water,protons,,,,,ppm,115.586,external,indirect,0.10132912,,,,,,,,,,182585,34144,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,182608,34145,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,182608,34145,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182632,34146,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182632,34146,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182632,34146,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144953,,,,,,,,,,182650,34149,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,182650,34149,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132912,,,,,,,,,,182650,34149,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182677,34151,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182677,34151,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182677,34151,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182702,34152,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182702,34152,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182702,34152,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182719,34153,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182719,34153,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182719,34153,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182735,34154,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182735,34154,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182735,34154,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182756,34155,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182756,34155,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182756,34155,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,182787,34157,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,182817,34158,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,182847,34159,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,182870,34160,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,182870,34160,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,182870,34160,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182894,34161,1
H,1,HDO,H,,,,,ppm,4.677,internal,direct,1.0,,,,,,,,,,182894,34161,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182894,34161,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182913,34162,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,182928,34163,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,182928,34163,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,182928,34163,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,182950,34164,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,182950,34164,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,182950,34164,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.00,,,,,,,,,,182971,34165,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,182989,34166,1
C,13,water,protons,,,,,ppm,4.73,internal,indirect,0.25144954,,,,,,,,,,183008,34167,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0,,,,,,,,,,183008,34167,1
N,15,water,protons,,,,,ppm,4.73,internal,indirect,0.10132900,,,,,,,,,,183008,34167,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,183031,34168,1
C,13,Deuterium Oxide,protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183045,34169,1
H,1,Deuterium Oxide,protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183045,34169,1
N,15,Deuterium Oxide,protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183045,34169,1
C,13,DSS,methylene protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183065,34170,1
H,1,DSS,methylene protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183065,34170,1
N,15,DSS,methylene protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183065,34170,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,separate tube (no insert) not similar to the experimental sample tube,spherical,parallel,,,temperature,0.1,,,183083,34171,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,separate tube (no insert) not similar to the experimental sample tube,spherical,parallel,,,temperature,0.1,,,183083,34171,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183106,34172,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183106,34172,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183106,34172,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,183123,34173,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,183123,34173,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,183123,34173,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183141,34174,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,183141,34174,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183159,34175,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183159,34175,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183159,34175,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495,,,,,,,,,,183179,34176,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,183179,34176,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329,,,,,,,,,,183179,34176,1
C,13,DSS,methyl protons,,,,,Hz,0,internal,indirect,0.25144953,,,,,,,,,,183201,34178,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,183201,34178,1
N,15,DSS,methyl protons,,,,,Hz,0,internal,indirect,0.101329118,,,,,,,,,,183201,34178,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183217,34179,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183217,34179,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183217,34179,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183234,34180,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183234,34180,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183234,34180,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183251,34181,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183251,34181,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183251,34181,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183267,34182,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183267,34182,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183267,34182,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,183287,34183,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,183287,34183,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,183287,34183,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183305,34184,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183305,34184,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183305,34184,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183322,34185,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183322,34185,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183322,34185,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0,,,,,,,,,,183340,34186,1
C,13,[15N] ammonium chloride,protons,,,,,ppm,40,internal,direct,0.2,,,,,,,,,,183357,34187,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,183357,34187,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,183378,34188,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,183396,34189,1
H,1,water,protons,,,,,ppm,4.7,internal,indirect,1.0,,,,,,,,,,183414,34190,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,118,internal,indirect,1.0,,,,,,,,,,183414,34190,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183432,34191,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183455,34193,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183455,34193,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183455,34193,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183479,34194,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183479,34194,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183479,34194,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183508,34195,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183508,34195,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183508,34195,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183534,34196,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183534,34196,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183534,34196,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,183552,34198,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,183572,34199,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,183585,342,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,183603,34200,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,183603,34200,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,183603,34200,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,183628,34201,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,183628,34201,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.101329118,,,,,,,,,,183628,34201,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,183645,34202,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,183645,34202,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.10132912,,,,,,,,,,183645,34202,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25144953,,,,,,,,,,183663,34203,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,183663,34203,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.10132912,,,,,,,,,,183663,34203,1
C,13,TSP,methyl carbons,,,,,ppm,0,na,indirect,1,,,,,,,,,,183681,34206,1
N,15,ammonia,nitrogen,,,,,ppm,0,na,indirect,0.402979940,,,,,,,,,,183681,34206,1
C,13,TSP,methyl carbons,,,,,ppm,0,na,direct,1,,,,,,,,,,183699,34207,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.402979940,,,,,,,,,,183699,34207,1
C,13,TSP,methyl carbons,,,,,ppm,0,na,direct,1,,,,,,,,,,183720,34208,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.402979940,,,,,,,,,,183720,34208,1
C,13,TSP,methyl carbons,,,,,ppm,0,na,direct,1,,,,,,,,,,183747,34209,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.402979940,,,,,,,,,,183747,34209,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,183765,34210,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,183765,34210,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183794,34211,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183794,34211,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183794,34211,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,183815,34212,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183835,34213,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183855,34214,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183875,34215,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,183891,34216,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,183891,34216,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.10132912,,,,,,,,,,183891,34216,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183910,34217,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183910,34217,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183910,34217,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183933,34218,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183933,34218,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183933,34218,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,183955,34219,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,183955,34219,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,183955,34219,1
C,13,water,protons,,,,,Hz,899.600125944,internal,indirect,0.251449530,,,,,,,,,,183978,34220,1
H,1,water,protons,,,,,Hz,899.600125944,internal,direct,1,,,,,,,,,,183978,34220,1
N,15,water,protons,,,,,Hz,899.600125944,internal,indirect,0.101329118,,,,,,,,,,183978,34220,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,183998,34221,1
H,2,TSP,protons,,,,,ppm,0.00,internal,direct,0.25,,,,,,,,,,184017,34222,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,184038,34223,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,184038,34223,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,184038,34223,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,184058,34224,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,184058,34224,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,184058,34224,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,184081,34225,1
H,1,DSS,methyl protons,,,,,ppm,0,na,direct,1,,,,,,,,,,184081,34225,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,184081,34225,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184108,34226,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184108,34226,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184108,34226,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184126,34227,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184126,34227,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184126,34227,1
C,13,TMS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25145020,,,,,,,,,,184146,34228,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,184146,34228,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184165,34229,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184165,34229,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184165,34229,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184188,34231,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184211,34232,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184211,34232,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184211,34232,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,184233,34233,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25,,,,,,,,,,184250,34234,1
H,1,water,protons,,,,,ppm,4.78,internal,indirect,1.0,,,,,,,,,,184250,34234,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.1,,,,,,,,,,184250,34234,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,184267,34235,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,184267,34235,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,117.8,na,indirect,1,,,,,,,,,,184267,34235,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,184291,34236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00,,,,,,,,,,184291,34236,1
N,15,DSS,nitrogen,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,184291,34236,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184307,34237,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184323,34238,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184340,34239,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184340,34239,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184340,34239,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,separate tube (no insert) not similar to the experimental sample tube,,,,,,,,,184359,34240,1
C,13,water,protons,,,,,ppm,4.773,external,direct,0.25144953,,,,,,,,,,184378,34243,1
H,1,water,protons,,,,,ppm,4.773,external,direct,1.0,,,,,,,,,,184378,34243,1
N,15,water,protons,,,,,ppm,4.773,external,direct,,,,,,,,,,,184378,34243,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1,,,,,,temperature,0.07,,,184404,34244,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1,,,,,,Temperature,0.30,,,184405,34244,2
H,1,H2O,protons,,,,,ppm,4.70,internal,direct,1,,,,,,temperature,0.07,,,184424,34245,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184447,34246,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184447,34246,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184447,34246,1
C,13,water,protons,,,,,Hz,899600141.2372,internal,indirect,0.251449530,,,,,,,,,,184466,34247,1
H,1,water,protons,,,,,Hz,899600141.2372,internal,direct,1,,,,,,,,,,184466,34247,1
N,15,water,protons,,,,,Hz,899600141.2372,internal,indirect,0.101329118,,,,,,,,,,184466,34247,1
C,13,water,protons,,,,,Hz,899600141.2372,internal,indirect,0.251449530,,,,,,,,,,184488,34248,1
H,1,water,protons,,,,,Hz,899600141.2372,internal,direct,1,,,,,,,,,,184488,34248,1
N,15,water,protons,,,,,Hz,899600141.2372,internal,indirect,0.101329118,,,,,,,,,,184488,34248,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184504,34249,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184504,34249,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184504,34249,1
H,1,TSP,methyl protons,,,,,ppm,-0.083,internal,direct,1.0,,,,,,,,,,184520,34250,1
H,1,TSP,methyl protons,,,,,ppm,-0.083,internal,direct,1.0,,,,,,,,,,184537,34251,1
H,1,TSP,methyl protons,,,,,ppm,-0.083,internal,direct,1,,,,,,,,,,184553,34252,1
H,1,TSP,methyl protons,,,,,ppm,-0.083,internal,direct,1,,,,,,,,,,184569,34253,1
H,1,TSP,methyl protons,,,,,ppm,-0.083,internal,direct,1,,,,,,,,,,184585,34254,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184609,34255,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184609,34255,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184609,34255,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184631,34256,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184631,34256,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184631,34256,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184657,34257,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184657,34257,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184657,34257,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,184684,34258,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,184684,34258,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,184684,34258,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,184712,34259,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,184712,34259,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,184712,34259,1
C,13,DMSO,methyl carbons,,,,,ppm,0,na,direct,1,,,,,,,,,,184739,34260,1
H,1,water,protons,,,,,ppm,4.7,na,direct,1,,,,,,,,,,184739,34260,1
N,15,urea,nitrogen,,,,,ppm,75,na,direct,1,,,,,,,,,,184739,34260,1
C,13,water,protons,,,,,ppm,4.65,internal,indirect,0.25144954,,,,,,,,,,184761,34261,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1,,,,,,,,,,184761,34261,1
N,15,water,protons,,,,,ppm,4.65,internal,indirect,0.10132900,,,,,,,,,,184761,34261,1
C,13,TSP-d4,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,184792,34262,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184792,34262,1
N,15,TSP-d4,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,184792,34262,1
C,13,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,184811,34263,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184811,34263,1
N,15,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,184811,34263,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,184832,34264,1
C,13,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184851,34265,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184851,34265,1
P,31,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.404808636,,,,,,,,,,184851,34265,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,184874,34266,1
H,1,cyriotoxin-1a,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,184891,34267,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184908,34268,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184908,34268,1
H,1,TMS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,184929,34269,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,184942,3427,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184958,34270,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184958,34270,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,184958,34270,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,184976,34271,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184976,34271,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,184993,34272,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185011,34273,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185029,34274,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185054,34276,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185055,34276,2
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185081,34277,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185099,34278,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185099,34278,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185099,34278,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185117,34279,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185117,34279,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185117,34279,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185143,34280,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185143,34280,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185160,34281,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185160,34281,1
C,13,DSS,methyl protons,,,,,Hz,150.927954,external,indirect,0.25144953,,,,,,temperature,-409.90,,,185185,34282,1
H,1,DSS,methyl protons,,,,,Hz,600.23,external,direct,1.0,,,,,,temperature,-28.98,,,185185,34282,1
N,15,DSS,methyl protons,,,,,Hz,60.820778,external,indirect,0.10132912,,,,,,temperature,-4.44,,,185185,34282,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185204,34283,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185222,34284,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185242,34285,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185259,34286,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185259,34286,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185259,34286,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,185281,34287,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,185281,34287,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,185281,34287,1
C,13,DSS,methyl protons,,,,,Hz,150.927954,external,indirect,0.25144953,,,,,,temperature,-409.90,,,185305,34288,1
H,1,DSS,methyl protons,,,,,Hz,600.23,external,direct,1.0,,,,,,temperature,-28.98,,,185305,34288,1
N,15,DSS,methyl protons,,,,,Hz,60.820778,external,indirect,0.10132912,,,,,,temperature,-4.44,,,185305,34288,1
C,13,DSS,methyl protons,,,,,ppm,150.927954,external,indirect,0.25144953,,,,,,temperature,-409.90,,,185333,34289,1
H,1,DSS,methyl protons,,,,,ppm,600.23,external,direct,1.0,,,,,,temperature,-28.98,,,185333,34289,1
N,15,DSS,methyl protons,,,,,ppm,60.820778,external,indirect,0.10132912,,,,,,temperature,-4.44,,,185333,34289,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,185374,34290,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,,,,,,,,,,,185374,34290,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,,,,,,,,,,,185374,34290,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,185400,34291,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,185400,34291,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,185400,34291,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185423,34292,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185423,34292,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185423,34292,1
C,13,DSS,methyl protons,,,,,Hz,150.927954,external,indirect,0.25144953,,,,,,temperature,-409.90,,,185445,34293,1
H,1,DSS,methyl protons,,,,,Hz,600.23,external,direct,1.0,,,,,,temperature,-28.98,,,185445,34293,1
N,15,DSS,methyl protons,,,,,Hz,60.820778,external,indirect,0.10132912,,,,,,temperature,-4.44,,,185445,34293,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185464,34294,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185464,34294,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185464,34294,1
C,13,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,185487,34295,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,185487,34295,1
N,15,TMS,methyl protons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,185487,34295,1
C,13,TMP,methyl carbons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185507,34296,1
H,1,TMP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185507,34296,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,185524,34297,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,185524,34297,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,185524,34297,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185540,34298,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,185540,34298,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185540,34298,1
C,13,TSP,methyl carbons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,185561,34299,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,185561,34299,1
N,15,TSP,methyl protons,,,,,ppm,0.0,na,indirect,0.10132912,,,,,,,,,,185561,34299,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185586,34300,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185586,34300,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185586,34300,1
C,13,TSP,methyl carbons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,185607,34301,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,185607,34301,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.10132912,,,,,,,,,,185607,34301,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185625,34302,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185648,34303,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185648,34303,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185667,34304,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185667,34304,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185667,34304,1
C,13,TMS,methyl carbons,,,,,ppm,0,internal,direct,,,,,,,,,,,185684,34305,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,185684,34305,1
C,13,TMS,methyl carbons,,,,,ppm,0,internal,direct,,,,,,,,,,,185701,34306,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,185701,34306,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185725,34307,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185725,34307,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185725,34307,1
H,1,DSS,protons,,,,,ppm,0.1,internal,direct,1.0,,,,,,,,,,185750,34308,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.01,external,indirect,1.0,,,,,,,,,,185750,34308,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185767,34309,1
C,13,DSS,methyl protons,,,,,ppm,,internal,indirect,,,,,,,,,,,185787,34311,1
H,1,DSS,methyl protons,,,,,ppm,-0.16,internal,direct,0.99,,,,,,,,,,185787,34311,1
C,13,DSS,methyl protons,,,,,ppm,,internal,indirect,,,,,,,,,,,185809,34312,1
H,1,DSS,methyl protons,,,,,Hz,97,internal,direct,0.99,,,,,,,,,,185809,34312,1
C,13,TMS,protons,,,,,ppm,0,external,direct,0.25144953,,,,,,,,,,185825,34313,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,185825,34313,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185843,34314,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185843,34314,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185860,34315,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185860,34315,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185877,34316,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185877,34316,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185899,34318,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185899,34318,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185899,34318,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,185915,34319,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,185933,34320,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185957,34321,1
H,1,TSP,protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185957,34321,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,185957,34321,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,185976,34322,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,185997,34323,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,185997,34323,1
P,31,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.404808636,,,,,,,,,,185997,34323,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186018,34324,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186018,34324,1
P,31,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.404808636,,,,,,,,,,186018,34324,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,186034,34325,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,186034,34325,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329112,,,,,,,,,,186034,34325,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186053,34326,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186053,34326,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186053,34326,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,186077,34328,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186096,34329,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186096,34329,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186096,34329,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186129,34330,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186129,34330,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186129,34330,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,186146,34331,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,186163,34332,1
C,13,TMS,methyl carbons,,,,,ppm,0,external,indirect,0.25144953,,,,,,,,,,186181,34333,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,186181,34333,1
N,15,ammonium chloride,nitrogen,,,,,ppm,0,external,indirect,0.1013291,,,,,,,,,,186181,34333,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186204,34334,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186204,34334,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186204,34334,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186222,34335,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186222,34335,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186222,34335,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,186243,34336,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,186243,34336,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,186243,34336,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,186260,34337,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,186277,34338,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,186277,34338,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,186277,34338,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,186299,34339,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,186299,34339,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,186299,34339,1
H,1,TSP,methyl protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,186315,34340,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186334,34341,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186334,34341,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186334,34341,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,186351,34342,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,186367,34343,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,186386,34344,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,186386,34344,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132912,,,,,,,,,,186386,34344,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186403,34345,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186403,34345,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186403,34345,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186421,34346,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186421,34346,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186421,34346,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,186440,34347,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,186457,34348,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,186457,34348,1
N,15,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,186457,34348,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,186473,34349,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,186473,34349,1
N,15,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,186473,34349,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,186487,3435,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186503,34350,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186503,34350,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186503,34350,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186523,34351,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186523,34351,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186523,34351,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186543,34352,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186543,34352,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186543,34352,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,186565,34353,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186582,34354,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186582,34354,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186582,34354,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,186604,34355,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,186604,34355,1
N,15,TSP,methylene protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,186604,34355,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,186627,34356,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,186627,34356,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,186627,34356,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186646,34357,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186665,34358,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186665,34358,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186683,34359,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186683,34359,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,186697,3436,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186714,34360,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186714,34360,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,186732,34361,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,186732,34361,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132912,,,,,,,,,,186732,34361,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,186754,34362,1
H,1,water,water,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,186754,34362,1
N,15,urea,nitrogen,,,,,ppm,77,external,direct,1.0,,,,,,,,,,186754,34362,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186771,34363,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186771,34363,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186791,34365,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186791,34365,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,186809,34366,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,186828,34367,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186847,34369,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186847,34369,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,186861,3437,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186878,34370,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186878,34370,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186895,34371,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186895,34371,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186913,34372,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186913,34372,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186930,34373,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186930,34373,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186949,34374,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186949,34374,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,186966,34376,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,186966,34376,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,186966,34376,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,186987,34378,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.251449530,,,,,,,,,,187009,34379,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1,,,,,,,,,,187009,34379,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.101329118,,,,,,,,,,187009,34379,1
H,1,TMS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,187026,34380,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187045,34381,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187045,34381,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187045,34381,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187062,34383,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187062,34383,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187062,34383,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,187084,34384,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,187084,34384,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10132912,,,,,,,,,,187084,34384,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187101,34385,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187101,34385,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187101,34385,1
H,1,TSP,methyl protons,,,,,ppm,-0.083,internal,direct,1.0,,,,,,,,,,187119,34387,1
H,1,TSP,methyl protons,,,,,ppm,-0.083,internal,direct,1.0,,,,,,,,,,187138,34388,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187157,34389,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0,,,,,,,,,,187157,34389,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187176,34390,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,1.0,,,,,,,,,,187176,34390,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,187194,34391,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,187194,34391,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187216,34392,1
H,1,water,protons,,,,,ppm,4.75,external,direct,1.0,,,,,,,,,,187216,34392,1
N,15,water,protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187216,34392,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187233,34393,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187233,34393,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187233,34393,1
C,13,TSP,protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,187254,34394,1
H,1,TSP,protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,187254,34394,1
N,15,TSP,protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,187254,34394,1
C,13,TSP,protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,187278,34395,1
H,1,TSP,protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,187278,34395,1
N,15,TSP,protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,187278,34395,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,isotope effect,,,,187301,34396,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187301,34396,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187301,34396,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,187322,34397,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1,,,,,,temperature,0.07,,,187340,34398,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,temperature,0.3,,,187341,34398,2
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,187361,34399,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,187361,34399,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,187361,34399,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,187374,3440,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,187374,3440,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187394,34400,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187394,34400,1
C,13,TSP,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,187413,34401,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,187413,34401,1
C,13,TSP,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,187432,34402,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,187432,34402,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187468,34403,1
F,19,TFA,fluorine,,,,,ppm,0.000,internal,indirect,0.940867,,,,,,,,,,187468,34403,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,187468,34403,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187469,34403,2
F,19,TFA,fluorine,,,,,ppm,0.000,internal,indirect,0.940867,,,,,,,,,,187469,34403,2
H,1,water,protons,,,,,ppm,4.62,internal,direct,1.0,,,,,,,,,,187469,34403,2
C,13,TMS,methyl carbons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,187488,34406,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,187488,34406,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187508,34407,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187508,34407,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187508,34407,1
C,13,acetate,methyl protons,,,,,ppm,2.05,internal,indirect,0.25144953,,,,,,,,,,187530,34408,1
H,1,acetate,methyl protons,,,,,ppm,2.05,internal,direct,1.0,,,,,,,,,,187530,34408,1
N,15,acetate,methyl protons,,,,,ppm,2.05,internal,indirect,0.10132912,,,,,,,,,,187530,34408,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187550,34409,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187550,34409,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,187564,3441,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187582,34410,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187600,34411,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187618,34412,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187636,34413,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187653,34414,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187670,34416,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,direct,0.10132912,,,,,,,,,,187687,34417,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187687,34417,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,direct,0.25144953,,,,,,,,,,187687,34417,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187703,34418,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187703,34418,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187703,34418,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,187720,34419,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,187733,3442,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187749,34420,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187749,34420,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187749,34420,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,187783,34421,1
H,1,DSS,methyl protons,,,,,ppm,0.000,na,indirect,1.0,,,,,,,,,,187783,34421,1
N,15,DSS,nitrogen,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,187783,34421,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,187813,34422,1
H,1,DSS,methyl protons,,,,,ppm,0.000,na,indirect,1.0,,,,,,,,,,187813,34422,1
N,15,DSS,nitrogen,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,187813,34422,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187832,34423,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187832,34423,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187832,34423,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187856,34424,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187856,34424,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,external,direct,0.10132912,,,,,,,,,,187856,34424,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187882,34425,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187882,34425,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187882,34425,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187907,34427,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187907,34427,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187907,34427,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187940,34428,1
H,1,water,protons,,,,,ppm,4.772,internal,direct,1.0,,,,,,,,,,187940,34428,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187940,34428,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187962,34429,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187962,34429,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187962,34429,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,187982,34430,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,187982,34430,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,187982,34430,1
C,13,water,protons,,,,,ppm,4.701,na,indirect,,,,,,,,,,,188005,34431,1
H,1,water,protons,,,,,ppm,4.701,na,direct,1.0,,,,,,,,,,188005,34431,1
N,15,water,protons,,,,,ppm,4.701,na,indirect,,,,,,,,,,,188005,34431,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188023,34432,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188023,34432,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188023,34432,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188040,34433,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188040,34433,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188040,34433,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188057,34434,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188057,34434,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188057,34434,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,188077,34435,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,188098,34436,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,188098,34436,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,0.251449537,,,,,,,,,,188117,34437,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,188117,34437,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.0,internal,indirect,0.10132912,,,,,,,,,,188117,34437,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,188138,34438,1
P,31,phosphoric acid (85%),phosphorus,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,188138,34438,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188156,34439,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188156,34439,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188156,34439,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188171,34440,1
C,13,water,protons,,,,,ppm,4.701,na,indirect,,,,,,,,,,,188194,34441,1
H,1,water,protons,,,,,ppm,4.701,na,direct,1.0,,,,,,,,,,188194,34441,1
N,15,water,protons,,,,,ppm,4.701,na,indirect,,,,,,,,,,,188194,34441,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188212,34443,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188212,34443,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188212,34443,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,188232,34444,1
F,19,TFA,F,,,,,ppm,0,na,indirect,0.940867,,,,,,,,,,188232,34444,1
H,1,water,H,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,188232,34444,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144953,,,,,,,,,,188253,34445,1
F,19,TFA,F,,,,,ppm,0.0,internal,indirect,0.940867,,,,,,,,,,188253,34445,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1,,,,,,,,,,188253,34445,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,188271,34446,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,188271,34446,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,188271,34446,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188288,34447,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188288,34447,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188288,34447,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188305,34448,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188305,34448,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188305,34448,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,188328,34451,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,direct,1,,,,,,,,,,188328,34451,1
N,15,DSS,methyl carbons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,188328,34451,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188345,34452,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188345,34452,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188345,34452,1
C,13,TSP,methyl carbons,,,,,ppm,0.000,external,direct,1,,,,,,,,,,188364,34454,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,external,direct,1,,,,,,,,,,188364,34454,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,external,direct,1,,,,,,,,,,188387,34455,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,external,direct,1,,,,,,,,,,188387,34455,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,external,direct,1,,,,,,,,,,188410,34456,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,external,direct,1,,,,,,,,,,188410,34456,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188428,34457,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188428,34457,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188428,34457,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188449,34459,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188449,34459,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188449,34459,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,188477,34461,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,188477,34461,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,188477,34461,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,188496,34462,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1.000000000,,,,,,,,,,188496,34462,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,188496,34462,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188513,34463,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188513,34463,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188513,34463,1
C,13,adamantane,methyl protons,,,,,ppm,40.48,external,direct,0.25144953,,,,,,,,,,188542,34465,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,188542,34465,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188559,34466,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188559,34466,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188559,34466,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188576,34467,1
C,13,DSS,methyl carbons,,,,,ppm,0.000,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,188595,34468,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,188595,34468,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,188595,34468,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.25144953,,,,,,,,,,188619,34469,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,188619,34469,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,188619,34469,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188638,34475,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188638,34475,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188638,34475,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188655,34476,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188655,34476,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188675,34477,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188675,34477,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188675,34477,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,188691,34480,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188691,34480,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,188691,34480,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188711,34481,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188711,34481,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188711,34481,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188731,34482,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188750,34483,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188771,34484,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188791,34488,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188791,34488,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188791,34488,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188810,34489,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188810,34489,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188810,34489,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,188823,3449,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188841,34490,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188841,34490,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188841,34490,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,188860,34492,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,188860,34492,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,188860,34492,1
C,13,water,protons,,,,,ppm,42.711,internal,indirect,0.25144953,,,,,,,,,,188881,34493,1
H,1,water,protons,,,,,ppm,4.744,internal,direct,1.0,,,,,,,,,,188881,34493,1
N,15,water,protons,,,,,ppm,119.054,internal,indirect,0.10132912,,,,,,,,,,188881,34493,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,188898,34494,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,188898,34494,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,188898,34494,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,188915,34495,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,188915,34495,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,188915,34495,1
C,13,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188940,34496,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188940,34496,1
N,15,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188940,34496,1
C,13,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,188966,34497,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,188966,34497,1
N,15,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,188966,34497,1
C,13,water,protons,,,,,ppm,4.744,internal,indirect,0.251449530,,,,,,,,,,188988,34498,1
H,2,water,protons,,,,,ppm,4.744,internal,direct,1,,,,,,,,,,188988,34498,1
N,15,water,protons,,,,,ppm,4.744,internal,indirect,0.101329118,,,,,,,,,,188988,34498,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189009,34499,1
H,1,water,protons,,,,,ppm,4.67,na,direct,1.0,,,,,,,,,,189009,34499,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189024,345,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189047,34500,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189047,34500,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189047,34500,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189069,34502,1
H,1,water,protons,,,,,ppm,4.78,na,direct,1.0,,,,,,,,,,189069,34502,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189086,34511,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189086,34511,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189086,34511,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,189102,34514,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,189102,34514,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.10132912,,,,,,,,,,189102,34514,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,189122,34524,1
H,1,water,protons,,,,,ppm,4.84,internal,direct,1.0,,,,,,,,,,189122,34524,1
H,1,water,protons,,,,,ppm,4.84,internal,direct,1,,,,,,,,,,189138,34525,1
H,1,water,protons,,,,,ppm,4.84,internal,direct,1,,,,,,,,,,189156,34533,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189169,3456,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189184,346,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189197,3466,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189211,3471,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189225,3472,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189238,3485,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189251,349,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189264,350,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189277,351,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189290,3524,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189303,3525,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189316,353,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189329,354,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189342,3548,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,189355,355,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,189368,356,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189392,358,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,189405,359,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,189419,36,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,189432,360,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189456,36000,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189456,36000,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189456,36000,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189478,36001,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189478,36001,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189478,36001,1
C,13,water,protons,,,,,ppm,4.65,na,indirect,0.251449530,,,,,,,,,,189501,36005,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.0,,,,,,,,,,189501,36005,1
N,15,water,protons,,,,,ppm,4.65,na,indirect,0.101329118,,,,,,,,,,189501,36005,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189525,36006,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189525,36006,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189525,36006,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189549,36007,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189549,36007,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189549,36007,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189573,36008,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189573,36008,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189573,36008,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189591,36009,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189591,36009,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189611,36011,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189611,36011,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189611,36011,1
C,13,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.25144953,,,,,,,,,,189628,36012,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189628,36012,1
N,15,DSS,methyl protons,,,,,ppm,0.000,na,indirect,0.10132912,,,,,,,,,,189628,36012,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189651,36013,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189651,36013,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189651,36013,1
C,13,water,protons,,,,,ppm,4.778,internal,indirect,0.251449530,,,,,,,,,,189671,36014,1
H,1,water,protons,,,,,ppm,4.778,internal,direct,1,,,,,,,,,,189671,36014,1
N,15,water,protons,,,,,ppm,4.778,internal,indirect,0.101329118,,,,,,,,,,189671,36014,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,189687,36016,1
C,13,DMSO-d6,methyl carbons,,,,,ppm,39.5,internal,direct,1,,,,,,,,,,189704,36017,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.49,internal,direct,1,,,,,,,,,,189704,36017,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,189722,36018,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,189722,36018,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,189722,36018,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,189739,36019,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189758,36020,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,189777,36021,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189777,36021,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,189777,36021,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189795,36022,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,189811,36023,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,189827,36024,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,189844,36025,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,189860,36026,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,189860,36026,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,189860,36026,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,189876,36027,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,189876,36027,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,189876,36027,1
C,13,DSS,protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,189895,36034,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.000,,,,,,,,,,189895,36034,1
N,15,DSS,protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,189895,36034,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,189909,36037,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189909,36037,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,189909,36037,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189925,36038,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,189942,36040,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,189960,36041,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,189975,36044,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,189993,36045,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,189993,36045,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,189993,36045,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190010,36047,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190029,36048,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190029,36048,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190029,36048,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190049,36049,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190049,36049,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190049,36049,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,190068,36050,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190068,36050,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190068,36050,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,190089,36051,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190089,36051,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190089,36051,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,190110,36052,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190110,36052,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190110,36052,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,190131,36053,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190131,36053,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190131,36053,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,190152,36054,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190152,36054,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190152,36054,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,190173,36055,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190173,36055,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190173,36055,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.25144953,,,,,,,,,,190194,36056,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190194,36056,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190194,36056,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190210,36057,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.25144953,,,,,,,,,,190228,36058,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,190228,36058,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.10132912,,,,,,,,,,190228,36058,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,190248,36059,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,190248,36059,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,190248,36059,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,190267,36060,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,190267,36060,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,190267,36060,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.25144953,,,,,,,,,,190285,36061,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,190285,36061,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.10132912,,,,,,,,,,190285,36061,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190301,36062,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190320,36064,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190320,36064,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190320,36064,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190338,36066,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,indirect,1.0,,,,,,,,,,190355,36068,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190370,36069,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190388,36070,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190388,36070,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190388,36070,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190407,36071,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190407,36071,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190407,36071,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190424,36072,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190440,36073,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190456,36074,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190474,36075,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190474,36075,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190474,36075,1
C,13,water,protons,,,,,ppm,4.789,internal,indirect,0.251449530,,,,,,,,,,190493,36077,1
H,1,water,protons,,,,,ppm,4.789,internal,direct,1.0,,,,,,,,,,190493,36077,1
N,15,water,protons,,,,,ppm,4.789,internal,indirect,0.101329118,,,,,,,,,,190493,36077,1
C,13,water,protons,,,,,ppm,4.658,internal,indirect,0.251449530,,,,,,,,,,190512,36078,1
H,1,water,protons,,,,,ppm,4.658,internal,direct,1,,,,,,,,,,190512,36078,1
N,15,water,protons,,,,,ppm,4.658,internal,indirect,0.101329118,,,,,,,,,,190512,36078,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,190529,36079,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,190544,36080,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,190544,36080,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,190544,36080,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,190561,36081,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,190561,36081,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,190561,36081,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,190578,36082,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,190578,36082,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,190578,36082,1
C,13,DMSO-d6,methyl carbons,,,,,ppm,39.5,internal,direct,1,,,,,,,,,,190595,36083,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.49,internal,direct,1,,,,,,,,,,190595,36083,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,190612,36084,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,190612,36084,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,190612,36084,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251449530,,,,,,,,,,190627,36085,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,190627,36085,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101329118,,,,,,,,,,190627,36085,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190650,36086,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190650,36086,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190650,36086,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,190665,36087,1
C,13,water,protons,,,,,ppm,4.78,internal,indirect,0.25144953,,,,,,,,,,190682,36096,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,190682,36096,1
N,15,water,protons,,,,,ppm,4.78,internal,indirect,0.10132912,,,,,,,,,,190682,36096,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190697,36097,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190697,36097,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190697,36097,1
H,1,TSP,methyl carbons,,,,,ppm,4.82,internal,direct,1.0,,,,,,,,,,190712,36098,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,190725,361,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,190748,36101,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,190748,36101,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,190748,36101,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190764,36103,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190781,36105,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190781,36105,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190781,36105,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190798,36106,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190798,36106,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190798,36106,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190815,36107,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190815,36107,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190815,36107,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190832,36109,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190832,36109,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190832,36109,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190849,36110,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190849,36110,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190849,36110,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190868,36111,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190868,36111,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190868,36111,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190884,36112,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190884,36112,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190884,36112,1
C,13,water,protons,,,,,ppm,4.735,na,indirect,0.251449530,,,,,,,,,,190902,36114,1
H,1,water,protons,,,,,ppm,4.735,internal,direct,1,,,,,,,,,,190902,36114,1
N,15,water,protons,,,,,ppm,4.735,na,indirect,0.101329118,,,,,,,,,,190902,36114,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190920,36115,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.10132912,,,,,,,,,,190920,36115,1
H,1,water,protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,190939,36116,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190961,36117,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190961,36117,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190961,36117,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,190980,36119,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,190980,36119,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,190980,36119,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,190995,36124,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,191011,36125,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,191027,36126,1
C,13,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191047,36129,1
H,1,TSP,protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191047,36129,1
N,15,TSP,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191047,36129,1
C,13,DSS,methyl protons,,,,,ppm,40.66,external,indirect,0.251449530,,,,,,,,,,191067,36133,1
H,1,DSS,methyl protons,,,,,ppm,4.72,external,direct,1.0,,,,,,,,,,191067,36133,1
N,15,DSS,methyl protons,,,,,ppm,118.07,external,indirect,0.101329118,,,,,,,,,,191067,36133,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191082,36136,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191082,36136,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191082,36136,1
C,13,water,protons,,,,,ppm,14.7,internal,indirect,0.251449530,,,,,,,,,,191102,36142,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,191102,36142,1
N,15,water,protons,,,,,ppm,36.5,internal,indirect,0.101329118,,,,,,,,,,191102,36142,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,191122,36143,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,191122,36143,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,191122,36143,1
H,1,DSS,methyl protons,,,,,ppm,4.78,internal,direct,1.0,,,,,,,,,,191138,36144,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,191155,36146,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191171,36147,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191188,36148,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1,,,,,,,,,,191205,36149,1
H,1,TSP,protons,,,,,ppm,0,external,direct,1,,,,,,,,,,191221,36150,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191238,36157,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191255,36158,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191276,36159,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191301,36160,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,191320,36161,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,191320,36161,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,191320,36161,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,191337,36162,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,191337,36162,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,191337,36162,1
C,13,water,protons,,,,,ppm,4.775,internal,indirect,0.251449530,,,,,,,,,,191356,36163,1
H,1,water,protons,,,,,ppm,4.775,internal,direct,1.0,,,,,,,,,,191356,36163,1
N,15,water,protons,,,,,ppm,4.775,internal,indirect,0.101329118,,,,,,,,,,191356,36163,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191376,36165,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.000000000,,,,,,,,,,191376,36165,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191376,36165,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,191399,36166,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,191399,36166,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,191399,36166,1
C,13,DMSO-d6,methylene carbons,,,,,ppm,39.5,internal,direct,1.0,,,,,,,,,,191417,36167,1
H,1,DMSO-d6,methylene protons,,,,,ppm,2.49,internal,direct,1.0,,,,,,,,,,191417,36167,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191435,36168,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191435,36168,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191435,36168,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191435,36168,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191453,36170,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.000000000,,,,,,,,,,191453,36170,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191453,36170,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191469,36171,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.000000000,,,,,,,,,,191469,36171,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191469,36171,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,191491,36172,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,191491,36172,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,191491,36172,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191510,36174,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,191527,36175,1
H,1,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,191527,36175,1
N,15,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.10132912,,,,,,,,,,191527,36175,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191545,36176,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191545,36176,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191545,36176,1
H,1,DSS,methyl protons,,,,,ppm,0.63,external,direct,1.00,,,,,,,,,,191564,36177,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191579,36179,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191579,36179,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191579,36179,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191594,36180,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191594,36180,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191594,36180,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191612,36181,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191612,36181,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191612,36181,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191627,36185,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191627,36185,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191627,36185,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,191648,36186,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,191648,36186,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,191648,36186,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,191670,36187,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,191670,36187,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,191670,36187,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,191685,362,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,191703,36207,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,191703,36207,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,191703,36207,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191718,36220,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191718,36220,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191718,36220,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191735,36221,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191735,36221,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191735,36221,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191752,36228,1
H,1,acetate,methyl carbons,,,,,ppm,2.03,internal,direct,1.0,,,,,,,,,,191769,36258,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191788,36263,1
C,13,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191806,36264,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191806,36264,1
N,15,DSS,methyl protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191806,36264,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191823,36265,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191840,36266,1
H,1,DSS,methyl protons,,,,,ppm,0.000,na,direct,1.0,,,,,,,,,,191856,36273,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,191882,36284,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,,,,,,,191882,36284,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,,,,,,,191901,36288,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,191901,36288,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,191901,36288,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,,,,,,,191918,36299,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,,,,,,,191918,36299,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.1013291188,,,,,,,,,,191918,36299,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,191932,363,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,191952,36309,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,191952,36309,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,191952,36309,1
C,13,water,protons,,,,,ppm,0.000,internal,indirect,0.251449530,,,,,,,,,,191969,36320,1
H,1,water,protons,,,,,ppm,0.000,internal,direct,1.0,,,,,,,,,,191969,36320,1
N,15,water,protons,,,,,ppm,0.000,internal,indirect,0.101329118,,,,,,,,,,191969,36320,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,191991,36321,1
C,13,DMSO-d6,methyl carbons,,,,,ppm,39.7,internal,direct,1,,,,,,,,,,192012,36343,1
H,1,DMSO-d6,methyl protons,,,,,ppm,2.49,internal,direct,1,,,,,,,,,,192012,36343,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192025,364,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192040,367,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192040,367,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192055,369,1
H,,TSP,,,,,,ppm,-.01,,,,,,,1,entry_citation,,,1,entry_citation,192068,371,1
H,,CF3CD2OH,residual CDH,,,,,ppm,3.88,,,,,,,1,entry_citation,,,1,entry_citation,192081,372,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,192094,373,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192107,374,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192120,375,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,192133,376,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192146,385,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192159,386,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192172,387,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192185,388,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192198,389,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,192213,39,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,192227,390,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192240,391,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192253,392,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,192266,393,1
H,,H2O/HDO,,,,,,ppm,4.52,,,,,,,1,entry_citation,,,1,entry_citation,192279,394,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192292,395,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,192312,397,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,192312,397,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,192325,398,1
H,,p-dioxane,,,,,,ppm,3.75,,,,,,,1,entry_citation,,,1,entry_citation,192338,40,1
C,13,H2O,protons,,,,,ppm,0.0,,indirect,0.25144953,,,,3,citation_two,,,,,192352,4001,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,192352,4001,1
N,15,H2O,protons,,,,,ppm,0.0,,indirect,0.10132905,,,,2,citation_one,,,,,192352,4001,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192371,401,1
H,1,TSP,methyl,,,,,ppm,0.00,internal,direct,,,,,,,,,,,192384,4010,1
N,15,,,,,,,,,,,,,,,,,,,,,192384,4010,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,192398,4011,1
N,15,H2O,protons,,,,,ppm,118.04,,indirect,0.101329122,,,,,,,,,,192398,4011,1
H,1,H2O,,,,,,ppm,4.77,internal,direct,,in the sample,cylindrical,parallel,,,,,,,192420,4012,1
C,13,TSP,,,,,,ppm,0.0,external,indirect,,external to sample,cylindrical,parallel,,,,,,,192420,4012,1
N,15,NH3,,,,,,ppm,0.0,external,indirect,,external to sample,cylindrical,parallel,,,,,,,192420,4012,1
C,13,,,,,,,ppm,0.00,,indirect,0.25145002,,,,,,,-1.909,,,192439,4019,1
H,1,H2O,protons,,,,,ppm,4.74,,indirect,1,,,,,,,0.0,,,192439,4019,1
H,1,p-dioxane,methylene protons,,,,,ppm,3.75,external,direct,,,,,,,,0.0,,,192439,4019,1
N,15,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.1013291444,,,,,,,0.0,,,192439,4019,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,192453,402,1
H,1,TSP,methyl protons,,,,,ppm,-0.01,internal,direct,,,,,,,pH,0.005,,,192466,4020,1
C,13,TSP,methyl carbons,,,,,ppm,-0.12,internal,direct,,,,,,,pH,0.030,,,192466,4020,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,192481,4022,1
H,1,H2O,protons,,,,,ppm,4.72,,direct,,,,,,,,,,,192481,4022,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,192481,4022,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,192494,4023,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,,,,,,1,entry_citation,,,1,entry_citation,192494,4023,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,192494,4023,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,192510,4024,1
C,13,DSS,methyl protons,,,,,ppm,,,indirect,,,,,1,entry_citation,,,1,entry_citation,192531,4027,1
H,1,DSS,methyl protons,,,,,ppm,,internal,direct,,,,,1,entry_citation,,,1,entry_citation,192531,4027,1
N,15,DSS,methyl protons,,,,,ppm,,,indirect,,,,,1,entry_citation,,,1,entry_citation,192531,4027,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495192,,,,,,,,,,192548,4028,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,192548,4028,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0,external,indirect,0.1013290513,,,,,,,,,,192548,4028,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495192,,,,,,,,,,192564,4029,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,192564,4029,1
N,15,ammonia,nitrogen,,,,,ppm,0,external,indirect,0.1013290513,,,,,,,,,,192564,4029,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,192582,4030,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,192582,4030,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.0,external,direct,,,,,,,,,,,192582,4030,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.25144953,,,,,,,,,,192596,4031,1
H,1,DSS,methyl protons,,,,,ppm,0,,direct,,,,,,,,,,,192596,4031,1
N,15,DSS,methyl protons,,,,,ppm,,,indirect,0.101329118,,,,,,,,,,192596,4031,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.25144953,,,,,,,,,,192610,4032,1
H,1,DSS,methyl protons,,,,,ppm,0,,,,,,,,,,,,,192610,4032,1
N,15,DSS,methyl protons,,,,,ppm,,,indirect,0.101329118,,,,,,,,,,192610,4032,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,192623,4033,1
N,15,H2O,protons,,,,,ppm,118.04,,indirect,0.101329122,,,,,,,,,,192623,4033,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,192636,4034,1
N,15,H2O,protons,,,,,ppm,118.04,,indirect,0.101329122,,,,,,,,,,192636,4034,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,192652,4035,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,192652,4035,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,192652,4035,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,,indirect,,,,,,,,,,,192665,4036,1
H,1,H2O,,,,,,ppm,4.84,internal,direct,,,,,,,,,,,192665,4036,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,,,,,,,,,,,,192665,4036,1
N,15,NH3,nitrogen,,,,,ppm,0.00,,indirect,,,,,,,,,,,192665,4036,1
H,1,TSP,methyl,,,,,ppm,0.0,,,,,,,,,,,,,192680,4037,1
C,13,dioxane,methyl,,,,,ppm,67.8,external,,,,,,,,,,,,192680,4037,1
N,15,NH4NO2,nitrogen,,,,,ppm,376.25,,,,,,,,,,,,,192680,4037,1
C,13,DSS,methyl,,,,,ppm,0,external,indirect,.2514495192,separate sample,,,,,,,,,192694,4038,1
H,1,DSS,methyl,,,,,ppm,0,external,direct,1,separate sample,,,,,,,,,192694,4038,1
N,15,DSS,ammonia,,,,,ppm,0,external,indirect,.1013290513,separate sample,,,,,,,,,192694,4038,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,192708,4039,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,192708,4039,1
N,15,Nitromethane,nitrogen,,,,,ppm,379.6,external,indirect,,,,,,,,,,,192708,4039,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external to the sample,cylindrical,parallel,2,citation_one,,,,,192724,4040,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external to the sample,cylindrical,parallel,,,,,,,192724,4040,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external to the sample,cylindrical,parallel,2,citation_one,,,,,192724,4040,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,192739,4041,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,192739,4041,1
N,15,Nitromethane,nitrogen,,,,,ppm,379.6,external,indirect,,,,,,,,,,,192739,4041,1
H,1,DSS,methyl protons,,,,,ppm,4.93,,,,,,,1,entry_citation,,,1,entry_citation,192755,4042,1
N,15,(NH4)2SO4,nitrogen,,,,,ppm,21.6,,,,,,,1,entry_citation,,,1,entry_citation,192755,4042,1
H,1,TSP,methyl protons,,,,,ppm,0,external,,,,,,,,,,,,192770,4043,1
N,15,TSP,methyl protons,,,,,ppm,0,external,,,,,,,,,,,,192770,4043,1
H,1,,,,,,,,,,,,,,,,,,,,,192783,4044,1
N,15,,,,,,,,,,,,,,,,,,,,,192783,4044,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,192797,4045,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,192797,4045,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,192797,4045,1
C,13,TSP,methyl carbons,,,,,ppm,0,,,,,,,,,,,,,192811,4046,1
H,1,TSP,methyl protons,,,,,ppm,0,,,,,,,,,,,,,192811,4046,1
N,15,TSP,,,,,,ppm,0,,,,,,,,,,,,,192811,4046,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,192825,4047,1
C,13,TMS,methyl carbons,,,,,ppm,0,,,,,,,,,,,,,192825,4047,1
N,15,NH4CL,nitrogen,,,,,ppm,,,,,,,,,,,,,,192825,4047,1
C,13,CH3CO2NA,methyl carbon,,,,,ppm,25.85,external,indirect,,,,,,,,,,,192841,4048,1
H,1,H2O,protons,,,,,ppm,4.58,internal,direct,,,,,,,,,,,192841,4048,1
N,15,CH4(15N2O),,,,,,ppm,78.98,external,indirect,,,,,,,,,,,192841,4048,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,,,,,,,,,,,,,192859,4049,1
H,1,H2O,protons,,,,,ppm,4.74,,,,,,,,,,,,,192859,4049,1
N,15,NH4NO3,,,,,,ppm,119.4,,,,,,,,,,,,,192859,4049,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,192872,405,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,192887,4050,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,192887,4050,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,192887,4050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,192902,4051,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,192902,4051,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,192902,4051,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,192921,4052,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,192921,4052,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,192921,4052,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,192944,4053,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,192944,4053,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,192944,4053,1
C,13,DSS,,,,,,ppm,0.000,,indirect,0.251449528,,,,,,,,,,192957,4054,1
H,1,DSS,,,,,,ppm,0.000,,direct,,,,,,,,,,,192957,4054,1
N,15,DSS,,,,,,ppm,0.000,,indirect,0.101329118,,,,,,,,,,192957,4054,1
C,13,DSS,,,,,,ppm,0.000,,indirect,0.251449528,,,,1,entry_citation,,,1,entry_citation,192973,4055,1
H,1,DSS,,,,,,ppm,0.000,,direct,,,,,1,entry_citation,,,1,entry_citation,192973,4055,1
N,15,DSS,,,,,,ppm,0.000,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,192973,4055,1
C,13,TSP,,,,,,Hz,0.00,external,indirect,0.25144954,external to the sample,,parallel,1,entry_citation,,,1,entry_citation,192987,4056,1
H,1,TSP,,,,,,Hz,0.00,external,direct,,external to the sample,,parallel,1,entry_citation,,,1,entry_citation,192987,4056,1
N,15,TMS,,,,,,Hz,0.00,external,indirect,0.10132914,external to the sample,,parallel,1,entry_citation,,,1,entry_citation,192987,4056,1
H,1,H2O,proton,,,,,ppm,4.88,internal,direct,,,,,,,,,,,193001,4057,1
H,1,H2O,proton,,,,,ppm,4.88,internal,direct,,,,,,,,,,,193014,4058,1
H,1,H2O,proton,,,,,ppm,4.88,internal,direct,,,,,,,,,,,193027,4059,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,193042,4060,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,193042,4060,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,193042,4060,1
C,13,TMS,methyl carbons,,,,,ppm,0.00,,indirect,,,,,1,entry_citation,,,1,entry_citation,193061,4061,1
H,1,H2O,protons,,,,,ppm,4.6516,,,,,,,1,entry_citation,,,1,entry_citation,193061,4061,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.00,,indirect,,,,,1,entry_citation,,,1,entry_citation,193061,4061,1
H,1,H2O,,,,,,ppm,4.68,,,,,,,,,,,,,193080,4062,1
N,15,liquid ammonia,,,,,,,0.,indirectly,,,,,,,,,,,,193080,4062,1
C,13,TSP,,,,,,ppm,0.00,external,,,,,,,,,,,,193093,4063,1
H,1,H2O,,,,,,ppm,4.75,,,,,,,,,,,,,193093,4063,1
N,15,anhydrous ammonia,,,,,,ppm,0.00,external,,,,,,,,,,,,193093,4063,1
C,13,TSP,,,,,,ppm,0.0,,,,,,,,,,,,,193107,4064,1
H,1,TSP,,,,,,ppm,0.0,,,,,,,,,,,,,193107,4064,1
N,15,liquid NH3,,,,,,ppm,0.0,external,,,,,,,,,,,,193107,4064,1
C,13,DSS,,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,193120,4065,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,external to the sample,cylindrical,parallel,,,,,,,193120,4065,1
N,15,DSS,,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,193120,4065,1
N,15,DSS,methyl protons,,,,,ppm,,,indirect,0.101329118,,,,,,,,,,193138,4066,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,194705,4158,1
C,13,DSS,methyl,,,,,ppm,0.00,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,193160,4067,1
H,1,DSS,methyl,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,193160,4067,1
C,13,DSS,methyl,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,193181,4068,1
H,1,DSS,methyl,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,193181,4068,1
N,15,DSS,methyl,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,193181,4068,1
H,1,TSP,,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,193196,4069,1
N,15,TMS,,,,,,ppm,,,indirect,0.1013291444,,,,,,,,,,193196,4069,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,193211,407,1
C,13,DSS,methyl,,,,,ppm,0.0,,,0.251449530,,,,,,,,,,193227,4070,1
H,1,DSS,methyl,,,,,ppm,0.0,internal,,,,,,,,,,,,193227,4070,1
N,15,DSS,methyl,,,,,ppm,0.0,,,0.101329118,,,,,,,,,,193227,4070,1
H,1,DSS,methyl,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,193240,4071,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,193255,4072,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,193255,4072,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,193255,4072,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,193279,4073,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,193279,4073,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,193279,4073,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,193303,4074,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,193303,4074,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,193303,4074,1
C,13,DSS,,,,,,ppm,0.0,,indirect,0.251449530,,,,2,citation_one,,,,,193317,4075,1
H,1,H2O,,,,,,ppm,4.766,internal,direct,,,,,,,temperature,-0.083,2,citation_one,193317,4075,1
N,15,DSS,,,,,,ppm,0.0,,indirect,0.101329118,,,,2,citation_one,,,,,193317,4075,1
C,13,TSP,methyl,,,,,ppm,0.00,external,indirect,0.25144954,,,,,,,,,,193330,4076,1
H,1,DSS,methyl,,,,,ppm,0.00,external,direct,,,,,,,,,,,193330,4076,1
N,15,DSS,,,,,,ppm,0,external,indirect,0.10132900,,,,,,,,,,193330,4076,1
H,1,TSP,methyl protons,,,,,ppm,0.00,,,,,,,1,entry_citation,,,1,entry_citation,193344,4078,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,,,,,,,1,entry_citation,,,1,entry_citation,193344,4078,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,193344,4078,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,193360,4079,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,193360,4079,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,193360,4079,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,193374,408,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,,,,,,1,entry_citation,,,1,entry_citation,193387,4080,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,,,,,,1,entry_citation,,,1,entry_citation,193387,4080,1
N,15,NH4Cl,nitrogen,,,,,ppm,24.93,external,,,,,,1,entry_citation,,,1,entry_citation,193387,4080,1
C,13,DSS,,,,,,ppm,0.00,,indirect,0.251449,,,,,,,,,,193405,4081,1
H,1,DSS,,,,,,ppm,0.00,internal,direct,,,,,,,,,,,193405,4081,1
N,15,DSS,,,,,,ppm,0.00,,indirect,0.101329,,,,,,,,,,193405,4081,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,193423,4082,1
H,1,water,protons,,,,,ppm,4.85,,,,,,,,,,,,,193423,4082,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,193423,4082,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,external,,,,,,1,entry_citation,,,1,entry_citation,193440,4083,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,,,,,,1,entry_citation,,,1,entry_citation,193440,4083,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.00,external,,,,,,1,entry_citation,,,1,entry_citation,193440,4083,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,,,,,,,,,,,,193457,4084,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,193457,4084,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.00,external,,,,,,,,,,,,193457,4084,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,,,,,,,,,,,,,193473,4085,1
H,1,TSP,methyl protons,,,,,ppm,0.00,,,,,,,,,,,,,193473,4085,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.00,,,,,,,,,,,,,193473,4085,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external/internal,,,,,,,,,,,,193487,4086,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external/internal,,,,,,,,,,,,193487,4086,1
N,15,NH4NO3,,,,,,ppm,21.6,external,,,,,,,,,,,,193487,4086,1
C,13,E2,,,,,,ppm,116.5,,indirect,0.101329118,,,,,,,,,,193503,4087,1
H,1,water,,,,,,ppm,4.66,internal,direct,,,,,,,,,,,193503,4087,1
N,15,E2,,,,,,ppm,47.5,,indirect,0.251449530,,,,,,,,,,193503,4087,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,193517,4088,1
C,13,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,193547,4090,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,193547,4090,1
N,15,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,193547,4090,1
C,13,TSP,,,,,,ppm,0.00,external,,,,,,,,,,,,193561,4091,1
H,1,TSP,,,,,,ppm,0.00,,,,,,,,,,,,,193561,4091,1
N,15,liquid NH3,,,,,,ppm,0.00,external,,,,,,,,,,,,193561,4091,1
C,13,DSS,,,,,,ppm,0.0,,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,193574,4092,1
H,1,DSS,methyl,,,,,ppm,0.0,external,direct,,,,,1,entry_citation,,,1,entry_citation,193574,4092,1
N,15,DSS,,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,193574,4092,1
C,13,TSP,,,,,,ppm,0.00,,,,,,,,,,,,,193587,4093,1
H,1,TSP,,,,,,ppm,0.00,,,,,,,,,,,,,193587,4093,1
N,15,liquid NH3,,,,,,ppm,0.00,,,,,,,,,,,,,193587,4093,1
C,13,TSP,0.00,,,,,ppm,,,,,,,,,,,,,,193601,4094,1
H,1,TSP,0.00,,,,,ppm,,,,,,,,,,,,,,193601,4094,1
N,15,liquid NH3,0.00,,,,,ppm,,external,,,,,,,,,,,,193601,4094,1
H,1,H20,protons,,,,,ppm,4.84,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,193614,4095,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,193632,4097,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,193632,4097,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,193632,4097,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,193665,4098,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,193665,4098,1
N,15,NH4,,,,,,ppm,24.93,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,193665,4098,1
C,13,TSP,methyl,,,,,ppm,0.00,external,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,193685,4099,1
H,1,TSP,methyl,,,,,ppm,0.00,external,direct,,,,,1,entry_citation,,,1,entry_citation,193685,4099,1
N,15,TSP,methyl,,,,,ppm,0.00,external,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,193685,4099,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,193699,41,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,193712,410,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,,,,,193725,4100,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,193725,4100,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,193725,4100,1
C,13,TSP,methyl,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,193736,4101,1
H,1,TSP,methyl,,,,,ppm,0.0,internal,direct,,,,,,,,,,,193736,4101,1
N,15,TSP,methyl,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,193736,4101,1
C,13,DSS,methyl,,,,,ppm,0.00,external,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,193754,4102,1
H,1,DSS,methyl,,,,,ppm,0.00,external,direct,1.00000000,,,,1,entry_citation,,,1,entry_citation,193754,4102,1
N,15,DSS,methyl,,,,,ppm,0.00,external,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,193754,4102,1
C,13,DSS,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,193771,4103,1
H,1,DSS,meTl,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,193771,4103,1
N,15,DSS,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,193771,4103,1
C,13,DSS,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,193788,4104,1
H,1,DSS,methyl,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,193788,4104,1
N,15,DSS,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,193788,4104,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,193804,4105,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,193826,4106,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,,,,,2,citation_one,,,,,193826,4106,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,193826,4106,1
C,13,DSS,methyl,,,,,ppm,0.00,external,indirect,0.251449530,,,,2,citation_one,,,,,193841,4107,1
H,1,DSS,methyl,,,,,ppm,0.00,internal,direct,,,,,,,,,,,193841,4107,1
N,15,DSS,methyl,,,,,ppm,0.00,external,indirect,0.101329118,,,,2,citation_one,,,,,193841,4107,1
C,13,DSS,methyl,,,,,ppm,0.00,external,indirect,0.251449530,,,,2,citation_one,,,,,193855,4108,1
H,1,DSS,methyl,,,,,ppm,0.00,internal,direct,,,,,,,,,,,193855,4108,1
N,15,DSS,methyl,,,,,ppm,0.00,external,indirect,0.101329118,,,,2,citation_one,,,,,193855,4108,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,193884,4109,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,193884,4109,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,193884,4109,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,193899,411,1
C,13,sodium acetate,methyl,,,,,ppm,25.85,,,,,,,,,,,,,193916,4110,1
H,1,H2O,proton,,,,,ppm,4.77,,,,,,,,,,,,,193916,4110,1
N,15,ammonium chloride,ammonium,,,,,ppm,78.98,,,,,,,,,,,,,193916,4110,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449519,,,,,,,,,,193929,4111,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,193929,4111,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329122,,,,,,,,,,193929,4111,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,193940,4112,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.25144954,,,,,,,,,,193953,4113,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,193953,4113,1
N,15,TSP,methyl protons,,,,,ppm,116.1,,indirect,0.1013281444,,,,,,,,,,193953,4113,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,193984,4114,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,193984,4114,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,193984,4114,1
C,13,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,193999,4115,1
H,1,dioxane,methylene protons,,,,,ppm,3.77,internal,direct,,,,,1,entry_citation,,,1,entry_citation,193999,4115,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,193999,4115,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,194013,4116,1
H,1,dioxane,methylene protons,,,,,ppm,3.77,internal,direct,,,,,1,entry_citation,,,1,entry_citation,194013,4116,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,194013,4116,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,direct,,external to the sample,cylindrical,parallel,,,,,,,194027,4117,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,external to the sample,cylindrical,parallel,,,,,,,194027,4117,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329122,,,,2,citation_one,,,,,194027,4117,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,194040,412,1
C,13,TSP,methyl protons,,,,,ppm,0,,indirect,,,,,,,,,,,194063,4120,1
H,1,TSP,methyl protons,,,,,ppm,0,,indirect,,,,,,,,,,,194063,4120,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449453,,,,,,,,,,194078,4121,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,194078,4121,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,194078,4121,1
C,13,TSP,methyl protons,,,,,ppm,,,indirect,0.25144955,,,,,,,,,,194092,4122,1
H,1,H2O,protons,,,,,ppm,4.77,internal,direct,,,,,,,,,,,194092,4122,1
N,15,,,,,,,ppm,,,indirect,0.101329242,,,,,,,,,,194092,4122,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,194105,4123,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,194105,4123,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,194105,4123,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,194120,4124,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,194120,4124,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,194120,4124,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,194134,4125,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,194147,4126,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,indirect,1.0,,,,,,,,,,194147,4126,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,194147,4126,1
C,13,DSS,methyl carbon,,,,,ppm,0.00,,,,,,,,,,,,,194160,4127,1
H,1,H2O,protons,,,,,ppm,4.72,,,,,,,,,,,,,194160,4127,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.00,,,,,,,,,,,,,194160,4127,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.2514495,,,,,,,,,,194175,4128,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,194175,4128,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.1013291,,,,,,,,,,194175,4128,1
H,1,H2O,protons,,,,,ppm,4.68,internal,direct,,,,,1,entry_citation,,,1,entry_citation,194193,4129,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.0,external,direct,,,,,1,entry_citation,,,1,entry_citation,194193,4129,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,194208,413,1
C,13,TSP,,,,,,ppm,0.00,,indirect,,,,,,,,,,,194224,4130,1
H,1,TSP,methyl,,,,,ppm,0.00,,direct,,,,,,,,,,,194224,4130,1
N,15,TSP,,,,,,ppm,0.00,,indirect,,,,,,,,,,,194224,4130,1
C,13,TSP,,,,,,ppm,0.00,,indirect,,,,,,,,,,,194240,4131,1
H,1,TSP,methyl,,,,,ppm,0.00,,,,,,,,,,,,,194240,4131,1
N,15,TSP,,,,,,ppm,0.00,,indirect,,,,,,,,,,,194240,4131,1
C,13,DSS,methyl protons,,,,,,,,indirect,0.251449519,,,,,,,,,,194255,4132,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,194255,4132,1
N,15,DSS,methyl protons,,,,,,,,indirect,0.101329118,,,,,,,,,,194255,4132,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,194268,4133,1
C,13,DSS,methyl protons,,,,,ppm,0.000,,indirect,0.251449530,,,,2,citation_one,,,,,194285,4134,1
H,1,DSS,methyl protons,,,,,ppm,0.000,,direct,,,,,2,citation_one,,,,,194285,4134,1
N,15,DSS,methyl protons,,,,,ppm,0.000,,indirect,0.101329118,,,,2,citation_one,,,,,194285,4134,1
H,1,DSS,,,,,,ppm,0.00,external,,1.0,,,,,,,,,,194301,4135,1
N,15,DSS,,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,194301,4135,1
P,31,DSS,,,,,,ppm,0.00,,indirect,0.404808636,,,,,,,,,,194301,4135,1
C,13,TMS,,,,,,ppm,0.0,,indirect,0.25144953,,,,,,,,,,194321,4136,1
H,1,TMS,methyl,,,,,ppm,0.0,internal,direct,,,,,,,,,,,194321,4136,1
N,15,TMS,,,,,,ppm,0.0,,indirect,0.10132912,,,,,,,,,,194321,4136,1
N,15,DSS,protons,,,,,ppm,,,indirect,.101329118,,,,,,,,,,194339,4137,1
H,1,DSS,methyl,,,,,ppm,0.0,external,direct,,,,,,,,,,,194355,4138,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,194369,414,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,194384,4140,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,194384,4140,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,194384,4140,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,194411,4141,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,194411,4141,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,194411,4141,1
C,13,TMS,methyl carbons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,194428,4142,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,194428,4142,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,194443,4143,1
C,13,DSS,,,,,,ppm,0.0,,indirect,0.251449519,,,,,,,,,,194456,4144,1
H,1,DSS,methyl,,,,,ppm,0.0,external,direct,,,,,,,,,,,194456,4144,1
N,15,DSS,,,,,,ppm,0.0,,indirect,0.101329122,,,,,,,,,,194456,4144,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,3,citation_two,,,,,194478,4145,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,3,citation_two,,,,,194478,4145,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,194494,4146,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,194494,4146,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,194494,4146,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.25144954,,,,2,citation_one,,,,,194510,4147,1
H,1,TSP,methyl protons,,,,,ppm,0.00,,direct,,,,,,,,,,,194510,4147,1
N,15,liquid NH3,,,,,,ppm,0.00,,indirect,,,,,,,,,,,194510,4147,1
H,1,H2O,protons,,,,,ppm,4.82,internal,direct,,,,,,,,,,,194522,4148,1
C,13,TSP,methyl carbons,,,,,ppm,0.0,,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,194542,4149,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,194542,4149,1
N,15,TMS,nitrogen,,,,,ppm,0.0,,indirect,0.1013291444,,,,1,entry_citation,,,1,entry_citation,194542,4149,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,194555,415,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,194572,4150,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,194572,4150,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,194572,4150,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,194588,4151,1
C,13,TMS,methyl carbon,,,,,ppm,67.8,external,indirect,,,,,,,,,,,194604,4152,1
H,1,H2O,proton,,,,,ppm,4.68,internal,direct,,,,,,,,,,,194604,4152,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.0,external,,,,,,,,,,,,194604,4152,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,194621,4153,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,194621,4153,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,194621,4153,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,4,citation_three,,,,,194642,4154,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,4,citation_three,,,,,194642,4154,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,5,citation_four,,,,,194642,4154,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,2,citation_one,,,,,194660,4155,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,194660,4155,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,194676,4156,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,2,citation_one,,,,,194676,4156,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,194676,4156,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,194690,4157,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,0.101329118,2,citation_one,194705,4158,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,4,citation_three,,,,,194731,4159,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,194744,416,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,194758,4160,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,194758,4160,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,194758,4160,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,2,citation_one,,,,,194778,4161,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,194778,4161,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,2,citation_one,,,,,194778,4161,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,194794,4162,1
H,1,DSS,methyl,,,,,ppm,0.00,internal,direct,,,,,,,,,,,194794,4162,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,194794,4162,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,194808,4163,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,194833,4164,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,194851,4165,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,194851,4165,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,194851,4165,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,194872,4166,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,2,citation_one,,,,,194872,4166,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,194872,4166,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,2,citation_one,,,,,194893,4167,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,194893,4167,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,194893,4167,1
C,13,,,,,,,,,,,,,,,,,,,,,194907,4168,1
H,1,,,,,,,,,,,,,,,,,,,,,194907,4168,1
N,15,,,,,,,,,,,,,,,,,,,,,194907,4168,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,,,,,,,,,194928,4169,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,194941,417,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,3,citation_two,,,,,194961,4170,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.25144954,,,,,,,,,,194977,4171,1
H,1,H20,protons,,,,,ppm,0.00,,indirect,,,,,,,,,,,194977,4171,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,0.10132914,,,,,,,,,,194977,4171,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,194997,4172,1
P,31,H3PO4,phosphorus,,,,,ppm,0.0,external,direct,,,,,,,,,,,194997,4172,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,195025,4173,1
N,15,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,195025,4173,1
H,1,H2O,protons,,,,,ppm,4.7548,internal,direct,,,,,,,,,,,195042,4174,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,195042,4174,1
H,1,DSS,methyl protons,,,,,ppm,0.03,external,direct,,external,cylindrical,parallel,,,,,,,195058,4175,1
P,31,,,,,,,,,,,,,,,,,,,,,195058,4175,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,195075,4176,1
C,13,DSS,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,195097,4177,1
H,1,DSS,protons,,,,,ppm,0.00,internal,direct,1.0,,,,2,citation_one,,,,,195097,4177,1
N,15,DSS,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,195097,4177,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,195113,4179,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,195127,418,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,195143,4180,1
H,1,DSS,methyl protons,,,,,ppm,4.81,internal,direct,,internal,spherical,perpendicular_to_Bo,1,entry_citation,,,1,entry_citation,195164,4181,1
H,1,H2O,proton,,,,,ppm,4.81,internal,direct,,,,,1,entry_citation,,,1,entry_citation,195180,4182,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,195195,4183,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,195195,4183,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,195195,4183,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,2,citation_one,,,,,195230,4184,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.000000000,,,,2,citation_one,,,,,195230,4184,1
N,15,DSS,methyl protons,,,,,ppm,4.75,,indirect,0.101329118,,,,2,citation_one,,,,,195230,4184,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,3,citation_two,,,,,195248,4185,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,195264,4186,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,,,,,2,citation_one,,,,,195264,4186,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,195264,4186,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,195284,4187,1
C,13,DSS,mehtyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,195301,4188,1
H,1,DSS,mehtyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,195301,4188,1
N,15,DSS,mehtyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,195301,4188,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,195322,4189,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,195336,419,1
H,1,DSS,protons,,,,,ppm,0.00,,direct,,,,,2,citation_one,,,,,195351,4190,1
H,1,DSS,protons,,,,,ppm,0.00,,direct,,,,,1,entry_citation,,,1,entry_citation,195365,4191,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,,,,,1,entry_citation,,,1,entry_citation,195380,4192,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.2514495192,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,195409,4193,1
H,1,TSP,methyl protons,,,,,ppm,0.0,,indirect,1,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,195409,4193,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.1013290513,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,195409,4193,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,2,citation_one,,,,,195429,4194,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,195445,4195,1
C,13,DSS,methyl protons,,,,,ppm,,,indirect,0.251449530,,,,2,citation_one,,,,,195468,4197,1
H,1,TSP,methyl protons,,,,,ppm,0.0,,direct,,,,,2,citation_one,,,,,195468,4197,1
N,15,DSS,methyl protons,,,,,ppm,,,indirect,0.101329118,,,,2,citation_one,,,,,195468,4197,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,195482,4198,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,195482,4198,1
N,15,nitromethane,nitrogen,,,,,ppm,-379.6,external,direct,,,,,,,,,,,195482,4198,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,,,,,,,,,2,citation_one,195498,4199,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,2,citation_one,195498,4199,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,195512,42,1
H,,p-dioxane,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,195527,420,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,2,reference_one,,,,,195547,4200,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,,,,,2,reference_one,,,,,195565,4201,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25144952,,,,,,,,,,195585,4202,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,,,,,,,,,,195585,4202,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132905,,,,,,,,,,195585,4202,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,195606,4203,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.00,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,195626,4204,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,195658,4205,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,195658,4205,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,195658,4205,1
H,1,,methyl protons,,,,,ppm,,,,,,,,,,,,,,195693,4207,1
N,15,,methyl protons,,,,,ppm,,,,,,,,,,,,,,195693,4207,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,195708,4208,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,195745,4209,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,,external,spherical,parallel,,,,,,,195745,4209,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,195745,4209,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,195759,421,1
H,1,Dioxane,methylene protons,,,,,ppm,3.66,external,direct,,,,,,,,,,,195773,4210,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,internal,,,1,entry_citation,,,1,entry_citation,195788,4211,1
H,1,H2O,protons,,,,,ppm,,internal,direct,,,,,1,entry_citation,,,1,entry_citation,195827,4213,1
C,13,H2O,proton,,,,,ppm,0.0,internal,indirect,0.251449530,internal,spherical,parallel_to_Bo,,,,,,,195847,4214,1
H,1,H2O,proton,,,,,ppm,4.647,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,195847,4214,1
N,15,H2O,proton,,,,,ppm,0.0,internal,indirect,0.101329118,internal,cylindrical,parallel_to_Bo,,,,,,,195847,4214,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,,,external,,,,,,,,,195864,4215,1
C,13,,,,,,,,,,,,,,,,,,,,,195877,4216,1
H,1,,,,,,,,,,,,,,,,,,,,,195877,4216,1
N,15,,,,,,,,,,,,,,,,,,,,,195877,4216,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,195891,4217,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,195891,4217,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,195891,4217,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,195905,4218,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,195924,4219,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,195938,422,1
H,1,,,,,,,,,,,,,,,,,,,,,195954,4220,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,195970,4221,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,195990,4222,1
N,15,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,195990,4222,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,196004,4223,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,196004,4223,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,196004,4223,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,196024,4224,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,196024,4224,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,196024,4224,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,196044,4225,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,196044,4225,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,196070,4226,1
H,1,H2O,proton,,,,,ppm,4.80,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,196070,4226,1
N,15,NH3,nitrogen,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,196070,4226,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,196084,4227,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,196084,4227,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,196084,4227,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,196098,4228,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,196098,4228,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,196098,4228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,196116,4229,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,196131,423,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,196151,4230,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,196151,4230,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,196151,4230,1
H,1,H2O,proton,,,,,ppm,4.79,,,,,,,,,,,,,196169,4231,1
H,1,H2O,proton,,,,,ppm,5.00,,,,,,,,,,,,,196170,4231,2
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,196189,4232,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,196189,4232,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,196189,4232,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,196209,4233,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,196227,4234,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,196242,4235,1
P,31,85% H3PO4,PO4,,,,,ppm,0.00,external,direct,2.471,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,196242,4235,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,196257,4236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,196257,4236,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,196257,4236,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,196283,4237,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,196283,4237,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,196283,4237,1
C,13,H2O,protons,,,,,ppm,43.2,,indirect,0.251449530,,,,,,,,,,196300,4239,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,196300,4239,1
N,15,H2O,protons,,,,,ppm,118.04,,indirect,0.101329118,,,,,,,,,,196300,4239,1
H,1,DNA,deoxycytidine H5,,,,,ppm,5.18,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,196328,4240,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,2,citation_one,,,,,196355,4241,1
N,15,TSP,methyl protons,,,,,ppm,,,indirect,0.101329118,,,,2,citation_one,,,,,196355,4241,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,196373,4242,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,196373,4242,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,196373,4242,1
H,1,HDO,water proton,,,,,ppm,4.6,,direct,,internal,,,,,,,,,196397,4243,1
P,31,trimethylphosphate,phosphorus,,,,,ppm,0,,direct,,external,,,,,,,,,196397,4243,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0000,internal,cylindrical,parallel,,,temperature,,,,196414,4244,1
P,31,H3PO4_85%,phosphorus atom,,,,,ppm,0.00,external,direct,2.471,external in the sample,cylindrical,parallel,,,temperature,,,,196414,4244,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,196459,4246,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,196476,4247,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,196516,4248,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,196516,4248,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,196516,4248,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.25144952,,,,,,,,,,196541,4249,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,196541,4249,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.10132905,,,,,,,,,,196541,4249,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,spherical,parallel_to_Bo,,,,,,,196563,4250,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,196575,4251,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,196575,4251,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,196575,4251,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,196592,4252,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,196592,4252,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,196592,4252,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,196617,4253,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,196617,4253,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,196617,4253,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,196632,4254,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,196632,4254,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,196632,4254,1
C,13,TSP,methyl  protons,,,,,ppm,0.00,external,indirect,0.25144954,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,196647,4255,1
H,1,TSP,methyl  protons,,,,,ppm,0.00,external,direct,1,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,196647,4255,1
N,15,TSP,methyl  protons,,,,,ppm,0.00,external,indirect,0.10132900,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,196647,4255,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,196662,4256,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1,,,,2,citation_one,,,,,196662,4256,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,196662,4256,1
H,1,TMSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,196684,4257,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,1,entry_citation,,,1,entry_citation,196698,4258,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,196718,4259,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,196718,4259,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,196718,4259,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,196731,426,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,196751,4260,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,196767,4261,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,196793,4262,1
H,1,H2O,protons,,,,,ppm,4.730,internal,direct,1,internal,cylindrical,parallel_to_Bo,,,,,,,196816,4263,1
H,1,H2O,protons,,,,,ppm,4.772,internal,direct,,,,,,,,,,,196874,4265,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,1.0,,,,,,,196887,4266,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.25144953,,,,,,,,,,196902,4267,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,196902,4267,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.10132912,,,,,,,,,,196902,4267,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,196938,4268,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,196964,4269,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,196964,4269,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,196964,4269,1
C,13,TSP,methyl protons,,,,,,,external,indirect,,external to the sample,,parallel,1,entry_citation,,,1,entry_citation,196981,4270,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,,external to the sample,,parallel,1,entry_citation,,,1,entry_citation,196981,4270,1
N,15,TSP,methyl protons,,,,,,,external,indirect,,external to the sample,,parallel,1,entry_citation,,,1,entry_citation,196981,4270,1
N,15,NH4Cl,nitrogen,,,,,ppm,24.93,external,direct,,,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197007,4271,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,direct,,,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197007,4271,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,197029,4272,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,197029,4272,1
N,15,Nitromethane,nitrogen,,,,,ppm,-379.6,external,direct,1.0,,,,,,,,,,197029,4272,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,197048,4273,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197069,4276,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197069,4276,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197069,4276,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197096,4278,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197096,4278,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,197113,4279,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,197127,428,1
C,13,H2O,protons,,,,,ppm,0.00,internal,indirect,0.25144953,,,,,,,,,,197140,4280,1
H,1,H2O,protons,,,,,ppm,4.78,internal,direct,,,,,,,,,,,197140,4280,1
N,15,H2O,protons,,,,,ppm,0.00,internal,indirect,0.10132905,,,,,,,,,,197140,4280,1
H,1,H2O,protons,,,,,ppm,,internal,direct,1.0,,,,,,,,2,ref_1,197170,4281,1
C,13,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.25144954,,,,,,,,3,ref_2,197170,4281,1
N,15,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.1013291444,,,,,,,,3,ref_2,197170,4281,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197201,4282,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197201,4282,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197201,4282,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,197218,4283,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,2,citation_one,,,,,197218,4283,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,197252,4284,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,197252,4284,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,197252,4284,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197267,4285,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197267,4285,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197267,4285,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,197287,4286,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,197287,4286,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,197305,4287,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,197305,4287,1
H,1,H2O,protons,,,,,ppm,4.83,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,197319,4288,1
H,1,H2O,protons,,,,,ppm,4.84,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197341,4289,1
N,15,formamide,nitrogen,,,,,ppm,113.8,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197341,4289,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,197355,429,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0000000,internal,cylindrical,parallel_to_Bo,,,,,,,197373,4290,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,197391,4291,1
H,1,DDS,methyl protons,,,,,ppm,0,external,direct,1.0,,external,,,,,,,,197406,4292,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.25144954,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,197436,4293,1
H,1,Dioxane,methylene protons,,,,,ppm,3.77,internal,direct,1.00000000,internal,cylindrical,parallel_to_Bo,,,,,,,197436,4293,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.10132900,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,197436,4293,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25144952,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197450,4294,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197450,4294,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132905,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197450,4294,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197469,4295,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197469,4295,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,spherical,,,,,,,,197505,4296,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197505,4296,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197505,4296,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,ref_1,temperature,-0.083,2,ref_1,197521,4297,1
H,1,H2O,protons,,,,,ppm,4.683,internal,direct,100.0,internal,spherical,parallel_to_Bo,2,ref_1,temperature,-0.083,2,ref_1,197521,4297,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,ref_1,temperature,-0.083,2,ref_1,197521,4297,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,2,citation_one,,,,,197538,4298,1
C,13,sodium acetate,methyl carbon,,,,,ppm,25.85,,,,,,,,,,,,,197552,4299,1
H,1,H20,protons,,,,,ppm,4.7,,,,,,,,,,,,,197552,4299,1
N,15,ammonium chloride,ammonium,,,,,ppm,78.98,,,,,,,,,,,,,197552,4299,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,197566,430,1
H,1,H20,protons,,,,,ppm,4.7,,,,,,,1,entry_citation,,,1,entry_citation,197583,4300,1
C,13,sodium acetate,methyl carbon,,,,,ppm,25.85,,,,,,,1,entry_citation,,,1,entry_citation,197583,4300,1
N,15,ammonium chloride,nitrogen,,,,,ppm,78.98,,,,,,,1,entry_citation,,,1,entry_citation,197583,4300,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,,0.251449530,,,,,,,,,,197600,4301,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,,1,,,,,,,,,,197600,4301,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,,0.101329118,,,,,,,,,,197600,4301,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197614,4302,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197614,4302,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197614,4302,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,197631,4303,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197646,4304,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197646,4304,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197646,4304,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197661,4305,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197661,4305,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197661,4305,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.2514495,,,,,,,,,,197685,4306,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,197685,4306,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.1013291,,,,,,,,,,197685,4306,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197704,4307,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197704,4307,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197704,4307,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197727,4308,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197727,4308,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,197750,4309,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,197750,4309,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,197750,4309,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197771,4310,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197771,4310,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197771,4310,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197787,4311,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197787,4311,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197787,4311,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197808,4312,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,197808,4312,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197808,4312,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197831,4313,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,197831,4313,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197831,4313,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197852,4314,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,197875,4315,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,197875,4315,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,197875,4315,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197909,4316,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197909,4316,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197909,4316,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,197928,4317,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,197928,4317,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,197928,4317,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,197941,4318,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,197941,4318,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,197941,4318,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,197962,4319,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,197962,4319,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,197962,4319,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,197980,432,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,,,,,,,197980,432,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,198001,4320,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,198001,4320,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,198001,4320,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,198021,4321,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,198021,4321,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,198021,4321,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198038,4322,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144954,,,,,,,,,,198052,4323,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,198052,4323,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132900,,,,,,,,,,198052,4323,1
H,1,dioxan,H,,,,,ppm,3.75,internal,direct,1.00,internal,cylindrical,parallel_to_Bo,,,,,,,198069,4324,1
N,15,dioxan,H,,,,,ppm,3.75,internal,indirect,.1013291444,internal,cylindrical,parallel_to_Bo,2,ref_1,,,,,198069,4324,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203857,4636,1
H,1,dioxan,methylene protons,,,,,ppm,3.75,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,198086,4325,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198103,4326,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,198103,4326,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198103,4326,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,1,entry_citation,198119,4327,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,1,entry_citation,198119,4327,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,1,entry_citation,198119,4327,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198134,4328,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,198134,4328,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198134,4328,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,198157,4329,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,198157,4329,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,198157,4329,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,198170,433,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,,,,,,,198170,433,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,198185,4330,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,198185,4330,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,198185,4330,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198198,4331,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198198,4331,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198198,4331,1
H,1,H2O,protons,,,,,ppm,4.80,internal,direct,,internal,,,,,,,,,198217,4332,1
N,15,TMS,methyl protons,,,,,ppm,0,,indirect,0.1013291444,,,,,,,,,,198217,4332,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198231,4333,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198231,4333,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198231,4333,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,198245,4334,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,198245,4334,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,198245,4334,1
C,13,H2O,protons,,,,,ppm,4.55,internal,indirect,0.25144954,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,198272,4335,1
H,1,H2O,protons,,,,,ppm,4.55,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,198272,4335,1
N,15,H2O,protons,,,,,ppm,4.55,internal,indirect,0.101329,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,198272,4335,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,ref_1,,,,,198296,4336,1
H,1,H2O,protons,,,,,ppm,4.8483,internal,direct,,internal,,,,,,,,,198296,4336,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,ref_1,,,,,198296,4336,1
H,1,H2O,protons,,,,,ppm,4.8483,internal,direct,,internal,,,,,,,,,198317,4337,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,ref_1,,,,,198317,4337,1
H,1,H2O,protons,,,,,ppm,4.8483,internal,direct,,internal,,,,,,,,,198339,4338,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,ref_1,,,,,198339,4338,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198359,4339,1
H,1,TSP,methyl protons,,,,,ppm,0.003,internal,direct,,internal,spherical,,,,,,,,198359,4339,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198359,4339,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,198372,434,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,198372,434,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198405,4340,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198405,4340,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198405,4340,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,198431,4341,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,198431,4341,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,198431,4341,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198455,4342,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,198455,4342,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198455,4342,1
C,13,DSS,methyl protons,,,,,ppm,,,indirect,0.251449519,,,,,,,,,,198468,4343,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,198468,4343,1
N,15,DSS,methyl protons,,,,,ppm,,,indirect,0.101329122,,,,,,,,,,198468,4343,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198493,4344,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198493,4344,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,198513,4345,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,198513,4345,1
N,15,ammonium chloride NH4Cl,ammonium nitrogen,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,198513,4345,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,198531,4346,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,198531,4346,1
N,15,ammonium chloride NH4Cl,ammonium nitrogen,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,198531,4346,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,198549,4347,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,198571,4348,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203875,4637,1
H,1,water,protons,,,,,ppm,4.73,internal,direct,,internal,,,,,,,,,198571,4348,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,198571,4348,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198595,4349,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,198595,4349,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198595,4349,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,198609,435,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,198609,435,1
H,1,water,protons,,,,,ppm,4.68,internal,direct,1.0,,,,,,,,,,198629,4350,1
N,15,water,protons,,,,,ppm,118.04,,indirect,0.101329118,,,,,,,,,,198629,4350,1
C,13,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,198645,4351,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,198645,4351,1
C,13,TSP,methyl,,,,,ppm,0.00,External_in_the_sample,indirect,.25144954,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,198669,4352,1
H,1,Dioxane,methylene,,,,,ppm,3.77,internal,direct,1.00000000,internal,cylindrical,parallel_to_Bo,,,,,,,198669,4352,1
N,15,TSP,methyl,,,,,ppm,0.00,External_in_the_sample,indirect,.10132900,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,198669,4352,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1,,,,,,,,,,198684,4353,1
C,13,sodium acetate,methyl carbon,,,,,ppm,25.85,external,direct,1.000,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,198702,4354,1
H,1,H2O,proton,,,,,ppm,4.658,internal,direct,1.000,internal,cylindrical,parallel_to_Bo,,,,,,,198702,4354,1
N,15,urea,guanidinyl,,,,,ppm,78.98,external,direct,1.000,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,198702,4354,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198720,4355,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198720,4355,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198720,4355,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,198742,4357,1
H,1,H2O,protons,,,,,ppm,,internal,direct,,,,,,,,,,,198742,4357,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,198742,4357,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,198742,4357,1
H,1,TSP,methyl protons,,,,,ppm,0.0,,direct,,,,,,,,,,,198763,4358,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,198763,4358,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,198763,4358,1
H,1,H2O,protons,,,,,ppm,,internal,direct,,,,,,,,,,,198786,4359,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,198786,4359,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,198786,4359,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,198786,4359,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,198802,436,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,198819,4360,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198819,4360,1
N,15,nitromethane,nitrogen,,,,,ppm,-379.6,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,198819,4360,1
C,13,TSP,methyl,,,,,ppm,0,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,198842,4361,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,198842,4361,1
P,31,TMP,phosphate,,,,,ppm,0,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,198842,4361,1
C,13,TSP,methyl,,,,,ppm,0,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,198866,4362,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,198866,4362,1
P,31,TMP,phosphate,,,,,ppm,0,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,198866,4362,1
Cd,113,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.221931730,,,,1,entry_citation,,,1,entry_citation,198884,4363,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,198884,4363,1
C,13,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.25145002,,,,1,entry_citation,,,1,entry_citation,198906,4364,1
H,1,H2O,protons,,,,,ppm,4.70,,direct,,,,,1,entry_citation,,,1,entry_citation,198906,4364,1
N,15,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.10132914,,,,1,entry_citation,,,1,entry_citation,198906,4364,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144954,,,,,,,,,,198966,4367,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,external to the sample,,,,,,,,,198966,4367,1
N,15,NH3,nitrogen,,,,,ppm,0,external,indirect,0.101329,,,,,,,,,,198966,4367,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,198994,4368,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,199012,4369,1
H,1,Water,protons,,,,,ppm,4.732,internal,direct,1,internal,cylindrical,parallel_to_Bo,,,,,,,199012,4369,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,199012,4369,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,199028,437,1
H,1,TSP,methyl,,,,,ppm,0.00,internal,direct,1.0000000,internal,,parallel_to_Bo,,,,,,,199051,4370,1
N,15,TSP,methyl,,,,,ppm,0.00,internal,indirect,0.1329112,internal,,parallel_to_Bo,,,,,,,199051,4370,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,indirect,cylindrical,parallel,1,entry_citation,,,1,entry_citation,199068,4371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,199068,4371,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,indirect,cylindrical,parallel,1,entry_citation,,,1,entry_citation,199068,4371,1
H,1,,,,,,,ppm,,internal,direct,10,internal,,parallel_to_Bo,,,,,,,199082,4372,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144954,internal,cylindrical,parallel_to_Bo,,,,,,,199101,4373,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000,internal,cylindrical,parallel_to_Bo,,,,,,,199101,4373,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132900,internal,cylindrical,parallel_to_Bo,,,,,,,199101,4373,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203875,4637,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,199116,4374,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,,external to the sample,,,1,entry_citation,,,1,entry_citation,199116,4374,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,199116,4374,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,.2514495192,,,,,,,,,,199130,4375,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,199130,4375,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,.1013290513,,,,,,,,,,199130,4375,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.25144953,,,,,,,,,,199148,4376,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,199148,4376,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.10132912,,,,,,,,,,199148,4376,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,199172,4377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,ref_1,,,,,199192,4378,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,199192,4378,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,ref_1,,,,,199192,4378,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199217,4379,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199217,4379,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199217,4379,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,199232,438,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,internal,cylindrical,parallel_to_Bo,1,entry_citation,pH,,1,entry_citation,199248,4380,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199267,4381,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199267,4381,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199267,4381,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199285,4382,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,199285,4382,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199285,4382,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,199300,4383,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,,0.251449530,,,199321,4384,1
H,1,H2O,proton,,,,,ppm,4.725167,internal,direct,,,,,,,,,,,199321,4384,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,,0.101329118,,,199321,4384,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199345,4385,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199345,4385,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199345,4385,1
C,13,,,,,,,,,,,,,,,,,,,,,199366,4386,1
H,1,,,,,,,,,,,,,,,,,,,,,199366,4386,1
N,15,,,,,,,,,,,,,,,,,,,,,199366,4386,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199382,4387,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199403,4388,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,199403,4388,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,199403,4388,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199403,4388,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199421,4389,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,199421,4389,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199421,4389,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,199436,439,1
C,13,glucose,,,,,,ppm,,,,,,,,,,,,,,199463,4391,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,199463,4391,1
N,15,ammonium chloride,nitrogen,,,,,ppm,,,,,,,,,,,,,,199463,4391,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199479,4392,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,na,cylindrical,parallel_to_Bo,,,,,,,199494,4393,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,na,cylindrical,parallel_to_Bo,,,,,,,199494,4393,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,na,cylindrical,parallel_to_Bo,,,,,,,199494,4393,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199512,4394,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,199512,4394,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199512,4394,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,199528,4395,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,199528,4395,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,199528,4395,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199553,4396,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,199553,4396,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199553,4396,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199567,4397,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199567,4397,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199567,4397,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,199583,4398,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,199583,4398,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,199598,4399,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,199611,44,1
H,,H2O/HDO,,,,,,ppm,4.85,,,,,,,1,entry_citation,,,1,entry_citation,199624,440,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,199640,4400,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199672,4401,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199672,4401,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199672,4401,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199695,4402,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199695,4402,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199695,4402,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,199720,4403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,199720,4403,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,199720,4403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199742,4404,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,199742,4404,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,199756,4405,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.000,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,199756,4405,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199774,4406,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199796,4407,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,199796,4407,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199796,4407,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,199814,4408,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,199832,4409,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,199846,441,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,199867,4410,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199888,4411,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199888,4411,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199904,4412,1
H,1,TSP,methyl proton,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,199904,4412,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,199940,4413,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199940,4413,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,199940,4413,1
H,1,H2O,proton,,,,,ppm,4.80,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,199959,4414,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199979,4415,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,199979,4415,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,199999,4416,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,199999,4416,1
C,13,DSS,protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,200028,4417,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,2,citation_one,,,,,200028,4417,1
N,15,DSS,protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,200028,4417,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200053,4418,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200079,4419,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,200093,442,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,200109,4420,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200122,4421,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200122,4421,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200122,4421,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,200143,4422,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,200173,4423,1
N,15,liquid annonium,nitrogen,,,,,ppm,0.0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,200173,4423,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,200199,4424,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,200199,4424,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,200199,4424,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200225,4425,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200225,4425,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200225,4425,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200241,4426,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200241,4426,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200241,4426,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200256,4427,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,200283,4428,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,200283,4428,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200311,4429,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200311,4429,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,200325,443,1
H,1,DSS,,,,,,ppm,,external,indirect,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,200345,4430,1
C,13,DSS,,,,,,ppm,,external,indirect,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,200345,4430,1
N,15,DSS,,,,,,ppm,,external,indirect,0.101329118,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,200345,4430,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,200373,4431,1
C,13,TMS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,200373,4431,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,200373,4431,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200394,4432,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200416,4433,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200442,4434,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200442,4434,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200442,4434,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,internal,,1,entry_citation,,,1,entry_citation,200461,4435,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,internal,,1,entry_citation,,,1,entry_citation,200483,4436,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200524,4437,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200524,4437,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200524,4437,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200551,4438,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200551,4438,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200551,4438,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200566,4439,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,200579,444,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200594,4440,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,200609,4441,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,200624,4442,1
H,1,H2O,protons,,,,,ppm,4.63,internal,direct,1,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,200644,4443,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,200664,4444,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,200664,4444,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,200664,4444,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200707,4445,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200707,4445,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200707,4445,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,200734,4446,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,internal,cylindrical,parallel_to_Bo,,,,,,,200755,4447,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,25.1449530,internal,cylindrical,parallel_to_Bo,,,,,,,200755,4447,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,10.1329118,internal,cylindrical,parallel_to_Bo,,,,,,,200755,4447,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200786,4448,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200786,4448,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200786,4448,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200812,4449,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200812,4449,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200812,4449,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200838,4451,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200838,4451,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200838,4451,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200867,4452,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200867,4452,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,200901,4453,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200901,4453,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200901,4453,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200927,4454,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,200927,4454,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,200949,4455,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200949,4455,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,200949,4455,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200966,4456,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,200991,4457,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,200991,4457,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,200991,4457,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,201005,4458,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,201020,4459,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,201060,4460,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201060,4460,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,201060,4460,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201076,4461,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,201098,4462,1
H,1,H2O,protons,,,,,ppm,4.94,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,201098,4462,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201131,4463,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201131,4463,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,201131,4463,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,201131,4463,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,201146,4464,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201171,4465,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201171,4465,1
H,1,H2O,proton,,,,,ppm,4.746,internal,direct,1.0,,,,,,pH,-0.008,,,201190,4466,1
N,15,H2O,proton,,,,,ppm,4.746,internal,indirect,0.101329144,,,,2,live_cs_ref,pH,-0.008,,,201190,4466,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201227,4467,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201227,4467,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,201227,4467,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,201242,4468,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201256,4469,1
C,,TMS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,201270,447,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,201270,447,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,201270,447,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201291,4470,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201291,4470,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,201291,4470,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201325,4471,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201325,4471,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,201325,4471,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,201350,4472,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,201350,4472,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,201350,4472,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,201387,4475,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,201387,4475,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,201387,4475,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,201402,4476,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,201418,4477,1
H,,CF3CD2OD,CH2,,,,,ppm,3.88,,,,,,,1,entry_citation,,,1,entry_citation,201444,448,1
H,1,na,na,,,,,ppm,0,,,,,,,,,,,,,201460,4483,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,201474,4486,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,201474,4486,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,201474,4486,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,201492,4487,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,201508,4488,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,201523,449,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,201536,4490,1
C,13,H2O,proton,,,,,ppm,43.2,,indirect,0.251449530,,,,,,,,,,201551,4491,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,201551,4491,1
N,15,H2O,proton,,,,,ppm,118.04,,indirect,0.101329118,,,,,,,,,,201551,4491,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,201572,4492,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,201596,4493,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201596,4493,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201596,4493,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,,,external,,,,,,,,201609,4494,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.101329112,,,,,,,,,,201609,4494,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,201638,4496,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,201638,4496,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,201638,4496,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,201667,4497,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,201683,4498,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,201696,45,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,201710,450,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,201730,4500,1
H,1,H2O,proton,,,,,ppm,4.91,internal,direct,,,,,,,temperature,0.21,,,201759,4503,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,4,citation_3,,,,,201759,4503,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,201778,4506,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,201794,4507,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,201813,4509,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,201827,451,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,,internal,,,,,,,,,201859,4510,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201859,4510,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,201884,4514,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,201884,4514,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,201884,4514,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,201908,4516,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,,,,,,,201908,4516,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201908,4516,1
H,1,,,,,,,,,,,,,,,,,,,,,201933,4519,1
C,13,,,,,,,,,,,,,,,,,,,,,201933,4519,1
N,15,,,,,,,,,,,,,,,,,,,,,201933,4519,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,201947,452,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,201995,4524,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,201995,4524,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,202019,4526,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,202038,4527,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202038,4527,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202038,4527,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,202062,4528,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202062,4528,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202062,4528,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,202077,453,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,202099,4536,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,202113,454,1
H,1,,,,,,,,,,,,,,,,,,,,,202126,4540,1
N,15,,,,,,,,,,,,,,,,,,,,,202126,4540,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,202144,4541,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,202166,4542,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,202193,4547,1
P,31,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,202193,4547,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,202209,455,1
H,1,H2O,protons,,,,,,,,,1.0,,,,1,entry_citation,,,1,entry_citation,202230,4550,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel,,,,,,,202262,4552,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,direct,0.25144954,external,cylindrical,parallel,,,,,,,202286,4553,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.00,external,cylindrical,parallel,,,,,,,202286,4553,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,direct,0.101329,external,cylindrical,parallel,,,,,,,202286,4553,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202329,4554,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202329,4554,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202329,4554,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202349,4555,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,202349,4555,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202370,4556,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,202370,4556,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202392,4557,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,202415,4558,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,202415,4558,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,202415,4558,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,202442,4559,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,202442,4559,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,202456,456,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202488,4560,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202488,4560,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202488,4560,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202512,4561,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202512,4561,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,202532,4562,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,202532,4562,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202557,4563,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202557,4563,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202557,4563,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202584,4564,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202584,4564,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202584,4564,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.25144954,,,,,,,,,,202599,4565,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,202599,4565,1
N,15,liquid ammonia,protons,,,,,ppm,0,,indirect,0.10132900,,,,,,,,,,202599,4565,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,202639,4566,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,spherical,parallel,,,,,,,202639,4566,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,spherical,parallel,,,,,,,202639,4566,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202663,4567,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202663,4567,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202663,4567,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,,,,,,,202687,4568,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202687,4568,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202687,4568,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,202701,457,1
H,2,TSP,methyl deuterium,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel,,,,,,,202718,4570,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202718,4570,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,202737,4571,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,202737,4571,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,202737,4571,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202760,4572,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202760,4572,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202760,4572,1
H,1,TSP,methyl protons,,,,,ppm,0.00,,,,,,,,,,,,,202775,4573,1
C,13,TSP,methyl protons,,,,,ppm,0.00,,indirect,,,,,2,ref1,,,,,202775,4573,1
N,15,TSP,methyl protons,,,,,ppm,0.00,,indirect,,,,,2,ref1,,,,,202775,4573,1
H,1,DSS,methyl protons,,,,,,,,indirect,,,,,,,,,,,202793,4574,1
C,13,methyl iodine,methyl protons,,,,,,,,indirect,,,,,,,,,,,202793,4574,1
N,15,15NHNO3,N,,,,,,,,direct,,,,,,,,,,,202793,4574,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,202816,4575,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,202816,4575,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202816,4575,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,202835,4576,1
H,1,TSP,methyl protons,,,,,ppm,0.000,external,direct,,external,cylindrical,parallel,,,,,,,202876,4577,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,202876,4577,1
N,15,liquid ammonia,nitrogen,,,,,,,external,indirect,,,,,,,,,,,202876,4577,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,202906,4578,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,202906,4578,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,202906,4578,1
H,1,H2O,proton,,,,,ppm,4.74,internal,direct,,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,202940,4579,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,202940,4579,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,202940,4579,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,202954,458,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,1,entry_citation,,,1,entry_citation,202976,4580,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,202976,4580,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,202976,4580,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,203000,4581,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,203000,4581,1
H,1,,,,,,,ppm,0,,,,,,,,,,,,,203015,4583,1
C,13,,,,,,,ppm,0,,,,,,,,,,,,,203015,4583,1
N,15,,,,,,,ppm,0,,,,,,,,,,,,,203015,4583,1
H,1,,,,,,,,,,,,,,,,,,,,,203045,4584,1
N,15,,,,,,,,,,,,,,,,,,,,,203045,4584,1
H,1,H2O,water protons,,,,,ppm,4.73,internal,direct,,internal,,parallel_to_Bo,,,,,,,203064,4585,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,external,,parallel_to_Bo,,,,,,,203082,4587,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1,external,cylindrical,parallel,,,,,,,203109,4588,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,203109,4588,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203133,4589,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203133,4589,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203148,459,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,203167,4590,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,203167,4590,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,203167,4590,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203187,4591,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203208,4592,1
H,1,H2O,protons,,,,,ppm,4.752,internal,direct,,,,,,,,,,,203229,4593,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,203229,4593,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,203229,4593,1
H,1,H2O,water protons,,,,,ppm,4.773,internal,direct,1,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,203248,4595,1
H,1,H2O,water protons,,,,,ppm,4.773,internal,direct,1,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,203266,4596,1
H,1,H2O,water protons,,,,,ppm,4.773,internal,direct,1,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,203284,4597,1
H,1,H2O,water protons,,,,,ppm,4.773,internal,direct,1,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,203302,4598,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203334,4599,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203334,4599,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203334,4599,1
C,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203347,46,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203361,460,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203377,4600,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203377,4600,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203377,4600,1
H,1,MeOH,methyl protons,,,,,ppm,3.30,internal,direct,1.0,internal,,,,,,,,,203398,4601,1
H,1,,,,,,,,,,,,,,,,,,,,,203417,4602,1
N,15,,,,,,,,,,,,,,,,,,,,,203417,4602,1
H,1,DDS,methyl protons,,,,,ppm,0,external,direct,,,,,1,entry_citation,,,1,entry_citation,203436,4603,1
C,13,DDS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,203436,4603,1
N,15,DDS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,203436,4603,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,203459,4604,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,203459,4604,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,203473,4607,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203491,4609,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203505,461,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203524,4610,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203542,4612,1
H,1,HDO,protons,,,,,ppm,4.662,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,203559,4614,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,203575,4615,1
H,1,TMS,methyl proton,,,,,ppm,0,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,203588,4616,1
C,13,,,,,,,ppm,0,,,,,,,,,,,,,203606,4617,1
H,1,,,,,,,ppm,0,,,,,,,,,,,,,203620,4618,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,,,internal,,1,entry_citation,,,1,entry_citation,203640,4619,1
C,13,DDS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,203640,4619,1
N,15,DDS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,203640,4619,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203654,462,1
C,13,,,,,,,ppm,0,,,,,,,,,,,,,203667,4620,1
H,1,H2O,protons,,,,,ppm,4.78,internal,direct,,,internal,,,,temperature (20C),,,,203667,4620,1
N,15,,,,,,,ppm,0,,,,,,,,,,,,,203667,4620,1
C,13,,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203682,4621,1
H,1,,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203682,4621,1
N,15,,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203682,4621,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,external,,1,entry_citation,,,1,entry_citation,203695,4622,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,203695,4622,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,203695,4622,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,,,internal,,,,,,,,203710,4623,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,203710,4623,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,203727,4628,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203742,463,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203807,4633,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203857,4636,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203857,4636,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203875,4637,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203893,4638,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203893,4638,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,203912,4639,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,203926,464,1
H,1,TSP,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,203941,4640,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203959,4641,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203959,4641,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203959,4641,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,203974,4642,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,203990,4643,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204011,4644,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204011,4644,1
H,1,DSS,,,,,,ppm,,,,1.0,,,,,,,,,,204031,4645,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204052,4646,1
P,31,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204052,4646,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,,,,,,,,,,,204071,4647,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204090,4648,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204090,4648,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204090,4648,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204112,4649,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204112,4649,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204112,4649,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,204126,465,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204140,4650,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204155,4651,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204170,4652,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204185,4653,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204200,4654,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204215,4655,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,204231,4656,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,204245,466,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204263,4661,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204263,4661,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204263,4661,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,1,entry_citation,,,1,entry_citation,204263,4661,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204276,4663,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204276,4663,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204276,4663,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,204294,4664,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204294,4664,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204294,4664,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,204317,4666,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204317,4666,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204317,4666,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,204340,4668,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204340,4668,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204340,4668,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204355,4669,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,204369,467,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,204384,4670,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,204384,4670,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,204384,4670,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,204402,4671,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204402,4671,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204402,4671,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,204425,4673,1
H,1,H2O,protons,,,,,ppm,4.772,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204439,4674,1
N,15,urea,nitrogen,,,,,ppm,78.98,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204439,4674,1
C,13,sodium acetate,methyl carbon,,,,,ppm,25.84,external,direct,,external_to_the_sample,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204439,4674,1
H,1,H2O,protons,,,,,ppm,4.695,internal,direct,,internal,spherical,parallel_to_Bo,2,ref_1,temperature,-0.083,2,ref_1,204453,4675,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,ref_1,,,,,204453,4675,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,ref_1,,,,,204453,4675,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,204467,4676,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204467,4676,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204467,4676,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204489,4677,1
H,1,H2O,protons,,,,,ppm,4.84,internal,direct,1.0,internal,,,,,,,,,204489,4677,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204489,4677,1
H,1,H2O,protons,,,,,ppm,4.772,internal,direct,,internal,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204504,4678,1
C,13,sodium acetate,methyl carbons,,,,,ppm,25.85,external,direct,,external_to_the_sample,spherical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204504,4678,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,204504,4678,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204520,4679,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204520,4679,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449537,,,,1,entry_citation,,,1,entry_citation,204520,4679,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,204534,468,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204547,4680,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204547,4680,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204547,4680,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204566,4681,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204566,4681,1
N,15,ammonium chloride,nitrogen,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204566,4681,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204590,4682,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204590,4682,1
N,15,ammonium chloride,nitrogen,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204590,4682,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,204612,4683,1
N,15,urea,nitrogen,,,,,ppm,78.98,,direct,,external,cylindrical,parallel_to_Bo,,,,,,,204612,4683,1
C,13,acetate,methyl carbons,,,,,ppm,25.85,,direct,,external,cylindrical,parallel_to_Bo,,,,,,,204612,4683,1
H,1,H2O,protons,,,,,ppm,4.8,internal,direct,,,,,1,entry_citation,,,1,entry_citation,204628,4684,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,204645,4685,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,204659,4686,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,204677,4687,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,204694,4688,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204694,4688,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204694,4688,1
H,1,H2O,protons,,,,,ppm,4.69,internal,direct,1.0,,,,,,,,,,204714,4689,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204714,4689,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204714,4689,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,204737,469,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,204754,4692,1
P,31,trimethyl phosphate,phosphorus,,,,,ppm,0.0,internal,,,,,,,,,,,,204754,4692,1
H,1,TSP,methyl,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,204773,4694,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204791,4695,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,204791,4695,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204791,4695,1
H,1,TPS,methyl protons,,,,,ppm,0.0,internal,direct,,internal,spherical,parallel,,,,,,,204804,4696,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204818,4697,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204818,4697,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204818,4697,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,204841,4698,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204841,4698,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204841,4698,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,204855,4699,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,204869,470,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,204889,4700,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,204889,4700,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,204889,4700,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,204912,4701,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,204912,4701,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,204912,4701,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,204936,4702,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,cylindrical,parallel_to_Bo,,,,,,,204955,4703,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204972,4704,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204972,4704,1
N,15,NH4Cl,nitrogen,,,,,ppm,29.43,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,204972,4704,1
C,13,DSS,methyl carbons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204996,4706,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204996,4706,1
N,15,ammonium chloride,nitrogen,,,,,ppm,24.93,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,204996,4706,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,205023,4707,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205023,4707,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205023,4707,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,205052,4708,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205052,4708,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205052,4708,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205079,4709,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,205079,4709,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205079,4709,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,205093,471,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205122,4710,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,205122,4710,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205122,4710,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.2514495,,,,,,,,,,205140,4711,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205140,4711,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.1013291,,,,,,,,,,205140,4711,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205157,4712,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,205157,4712,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205157,4712,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,205175,4713,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,205193,4714,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,205211,4715,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,205229,4716,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205229,4716,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205229,4716,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205243,4717,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205243,4717,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205243,4717,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205264,4718,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205264,4718,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205264,4718,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205295,4719,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205295,4719,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205295,4719,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,205309,472,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205322,4720,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205322,4720,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205322,4720,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205345,4721,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205345,4721,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205345,4721,1
C,13,sodium acetate,methyl carbon,,,,,ppm,25.85,,direct,,,,,,,,,,,205362,4722,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205362,4722,1
N,15,ammonium chloride,nitrogen,,,,,ppm,78.98,,direct,,,,,,,,,,,205362,4722,1
C,13,TSP,methyl carbons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205382,4723,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205382,4723,1
C,13,TSP,methyl carbons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205404,4724,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205404,4724,1
H,1,H2O,protons,,,,,ppm,4.78,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,205428,4725,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,205428,4725,1
Cd,113,Cd(ClO4)2,cadmium,,,,,ppm,0.0,external,direct,,,,,1,entry_citation,,,1,entry_citation,205428,4725,1
C,13,,,,,,,,,,,,,,,,,,,,,205445,4726,1
H,1,,,,,,,,,,,,,,,,,,,,,205445,4726,1
N,15,,,,,,,,,,,,,,,,,,,,,205445,4726,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205478,4727,1
H,1,H2O,protons,,,,,ppm,4.732,internal,direct,,internal,,,,,,,,,205478,4727,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205478,4727,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205492,4728,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,205521,4729,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,205521,4729,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,205521,4729,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,205536,473,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205549,4731,1
H,1,H2O,protons,,,,,ppm,4.73,internal,indirect,,internal,,,,,,,,,205549,4731,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205549,4731,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,205569,4732,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205569,4732,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205569,4732,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,205590,4733,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,205613,4734,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,205613,4734,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,205613,4734,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205640,4735,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205640,4735,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205640,4735,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205653,4736,1
H,1,H2O,protons,,,,,ppm,4.773,internal,direct,,internal,cylindrical,,,,,,,,205687,4737,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205687,4737,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205687,4737,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,205731,4739,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,205731,4739,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,205745,474,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205770,4740,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,205770,4740,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,205770,4740,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205798,4741,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,205834,4742,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205834,4742,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205861,4743,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,205882,4744,1
H,1,HOD,,,,,,ppm,4.76,internal,direct,,,spherical,,,,,,,,205900,4745,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,205929,4746,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,205929,4746,1
P,31,TMP,phosphorous,,,,,ppm,0.00,external,direct,1,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,205929,4746,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,205966,4747,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,205966,4747,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,205966,4747,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206018,4748,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206018,4748,1
H,1,HOD,protons,,,,,ppm,4.76,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,206038,4749,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,206054,475,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206073,4750,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206088,4751,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206088,4751,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206124,4752,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206124,4752,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206124,4752,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,206152,4753,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,direct,1,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,206152,4753,1
P,31,TMP,phosphorous,,,,,ppm,0.00,external,direct,1,External_in_the_sample,cylindrical,parallel_to_Bo,,,,,,,206152,4753,1
Cd,113,Cd(ClO4)2,cadmium,,,,,ppm,0.0,external,direct,,,,,1,entry_citation,,,1,entry_citation,206174,4754,1
H,1,H2O,protons,,,,,ppm,4.78,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,206174,4754,1
H,1,,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,206190,4755,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206221,4757,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206221,4757,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206221,4757,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449519,,,,,,,,,,206236,4758,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206236,4758,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329112,,,,,,,,,,206236,4758,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,206259,4759,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,206259,4759,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,206259,4759,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,206272,476,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206291,4760,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,206306,4761,1
N,15,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,206306,4761,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206324,4762,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206324,4762,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206324,4762,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206345,4763,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206345,4763,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206345,4763,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,,,,,,,206366,4765,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206366,4765,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206366,4765,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206391,4766,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206391,4766,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206391,4766,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000,internal,cylindrical,parallel_to_Bo,,,,,,,206410,4767,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132900,internal,cylindrical,parallel_to_Bo,,,pH,,,,206410,4767,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144954,internal,cylindrical,parallel_to_Bo,,,pH,,,,206410,4767,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206426,4768,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206426,4768,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206426,4768,1
C,13,DSS,,,,,,ppm,,internal,,,,,,,,,,,,206443,4769,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206443,4769,1
N,15,DSS,,,,,,ppm,,internal,,,,,,,,,,,,206443,4769,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,206456,477,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206475,4770,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206475,4770,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206475,4770,1
H,1,H2O,protons,,,,,ppm,4.6388,internal,direct,1,internal,cylindrical,parallel_to_Bo,1,entry_citation,"temperature, pH",,1,entry_citation,206490,4771,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.00,external,indirect,0.101329118,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,206490,4771,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,206490,4771,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,internal,,,,,,,,,206512,4772,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,206512,4772,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,internal,,,,,,,,,206512,4772,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.25144954,external_to_the_sample,,,1,entry_citation,,,1,entry_citation,206529,4773,1
N,15,ammonia,nitrogen,,,,,ppm,0.00,external,indirect,0.10132900,external_to_the_sample,,,1,entry_citation,,,1,entry_citation,206529,4773,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,206529,4773,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206553,4774,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206578,4775,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206578,4775,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206578,4775,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206614,4777,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206614,4777,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206614,4777,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206633,4778,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206633,4778,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206633,4778,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206656,4779,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329112,,,,,,,,,,206656,4779,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449519,,,,,,,,,,206656,4779,1
H,,,,,,,,ppm,0,,,,,,,,,,,,,206669,478,1
N,,,,,,,,ppm,0,,,,,,,,,,,,,206669,478,1
P,,phosphoric acid,,,,,,ppm,0,,,,,,,,,,,,,206669,478,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206697,4780,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206697,4780,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206720,4781,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206720,4781,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206720,4781,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,206750,4782,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206750,4782,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206750,4782,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,,,,,,,206764,4784,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,206764,4784,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206781,4785,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206781,4785,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206781,4785,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,206801,4786,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,206801,4786,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,206801,4786,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206832,4787,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206832,4787,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206832,4787,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,206863,4788,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206863,4788,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206863,4788,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206898,4789,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206898,4789,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206898,4789,1
H,,,,,,,,ppm,0,,,,,,,,,,,,,206911,479,1
N,,,,,,,,ppm,0,,,,,,,,,,,,,206911,479,1
P,,phosphoric acid,,,,,,ppm,0,,,,,,,,,,,,,206911,479,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206926,4790,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,206926,4790,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,206926,4790,1
C,13,DSS,,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,206951,4791,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,206951,4791,1
N,15,DSS,,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,206951,4791,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,206977,4792,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,,,,,206977,4792,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329144,,,,,,,,,,206977,4792,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207006,4793,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207006,4793,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207006,4793,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207025,4794,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207025,4794,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207025,4794,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207044,4795,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207044,4795,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207044,4795,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,207075,4796,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,207075,4796,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,207075,4796,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207091,4797,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207091,4797,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207091,4797,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,207111,4798,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,207111,4798,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,207111,4798,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,207128,4799,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,207141,48,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,207154,480,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,207176,4800,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,207197,4801,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,207224,4802,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207224,4802,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207224,4802,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207246,4803,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207246,4803,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207246,4803,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207268,4804,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207268,4804,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207268,4804,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207293,4805,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207293,4805,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207293,4805,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207315,4806,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207315,4806,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207315,4806,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207337,4807,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207337,4807,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207337,4807,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207362,4808,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207362,4808,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207362,4808,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207387,4809,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207387,4809,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207387,4809,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,207400,481,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207425,4810,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207425,4810,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207425,4810,1
H,1,water,protons,,,,,ppm,4.80,internal,direct,,internal,,,2,ref_1,,,,,207440,4811,1
N,15,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.101329144,,,,,,,,,,207440,4811,1
H,1,H2O,proton,,,,,ppm,4.65,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,207456,4812,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,207475,4813,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,207475,4813,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,207475,4813,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207492,4814,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207492,4814,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207492,4814,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,207511,4815,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207537,4816,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,perpendicular_to_Bo,,,,,,,207537,4816,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207537,4816,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,207537,4816,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207563,4817,1
C,13,,,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,207563,4817,1
N,15,,,,,,,ppm,0.0,internal,indirect,,,,,,,,,,,207563,4817,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,207577,4818,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207577,4818,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207577,4818,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.25144581,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,207590,4819,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,207590,4819,1
N,15,liquid ammonia,nitrogen,,,,,ppm,24.93,external,indirect,0.10132944,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,207590,4819,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207613,4820,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,207613,4820,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,207638,4821,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207638,4821,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207638,4821,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,207703,4825,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207703,4825,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207703,4825,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,207721,4827,1
C,13,dioxane,carbon,,,,,ppm,67.8,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,207721,4827,1
N,15,NH4Cl,amine nitrogen,,,,,ppm,24.93,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,207721,4827,1
C,13,dioxane,carbon,,,,,ppm,67.8,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,207739,4828,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,207739,4828,1
N,15,NH4Cl,amine nitrogen,,,,,ppm,24.93,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,207739,4828,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,207767,4829,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207767,4829,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207767,4829,1
H,1,dioxane,methylene protons,,,,,ppm,3.743,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,207782,4830,1
N,15,dioxane,methylene protons,,,,,ppm,3.743,internal,indirect,0.101329118,internal,,,1,entry_citation,,,1,entry_citation,207782,4830,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,207802,4831,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,207802,4831,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel_to_Bo,,,,,,,207820,4832,1
H,1,H2O,proton,,,,,ppm,4.821,internal,direct,,internal,,,,,,,,,207851,4833,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207851,4833,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207851,4833,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,207877,4834,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,207877,4834,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,207877,4834,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,207894,4835,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,external,,,,,,,,207920,4836,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144954,,,,,,,,,,207920,4836,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132900,,,,,,,,,,207920,4836,1
H,1,H2O,protons,,,,,ppm,4.67,internal,direct,,,,,,,,,,,207941,4837,1
H,1,H2O,protons,,,,,ppm,4.658,internal,direct,1.0,,,,,,,,,,207957,4838,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,207991,4839,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,207991,4839,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,207991,4839,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208007,4840,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,208007,4840,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,208007,4840,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208031,4841,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208031,4841,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208031,4841,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,208049,4842,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208063,4843,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208063,4843,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208063,4843,1
H,1,H2O,protons,,,,,ppm,4.666,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,208084,4844,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208084,4844,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208084,4844,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.0,internal,spherical,parallel_to_Bo,,,,,,,208100,4845,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,208115,4846,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,208130,4847,1
H,1,H2O,water proton,,,,,ppm,4.74,internal,direct,1.00,internal,cylindrical,parallel_to_Bo,,,,,,,208145,4848,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208145,4848,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208145,4848,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208158,4849,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208158,4849,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208158,4849,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,208171,485,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,208171,485,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208189,4850,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208189,4850,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,external,,,,,,,,208216,4851,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,,,external,,,,,,,,208216,4851,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,208216,4851,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208236,4852,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208236,4852,1
H,1,H2O,protons,,,,,ppm,4.649,internal,direct,,internal,cylindrical,parallel_to_Bo,,,temperature,,,,208257,4853,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,208279,4854,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208279,4854,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208279,4854,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,208306,4855,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,direct,0.251449530,,,,,,,,,,208325,4856,1
H,1,H2O,proton,,,,,ppm,4.73,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,208325,4856,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,direct,0.101329118,,,,,,,,,,208325,4856,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25144953,external,cylindrical,parallel_to_Bo,,,,,,,208342,4857,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,208342,4857,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132912,external,cylindrical,parallel_to_Bo,,,,,,,208342,4857,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208361,4858,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208361,4858,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208361,4858,1
H,1,H2O,protons,,,,,ppm,4.97,external,direct,,external,cylindrical,,1,entry_citation,,,1,entry_citation,208383,4859,1
C,,TSP,,,,,,ppm,0,,,,,,,,,,,,,208396,486,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,208396,486,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,,,,,,,208419,4860,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208419,4860,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208419,4860,1
H,1,H2O,proton,,,,,ppm,4.63,internal,direct,,internal,cylindrical,,,,temperature,,,,208438,4862,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208457,4863,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208457,4863,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208457,4863,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208470,4864,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208470,4864,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208470,4864,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208487,4865,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208487,4865,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208487,4865,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208507,4866,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208507,4866,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208507,4866,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,208507,4866,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208528,4867,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208528,4867,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208528,4867,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,208552,4868,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208576,4869,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208576,4869,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208576,4869,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,external,cylindrical,parallel_to_Bo,5,ref_4,,,,,208607,4870,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,external,,,5,ref_4,,,,,208607,4870,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,external,,,5,ref_4,,,,,208607,4870,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,208634,4871,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,208634,4871,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,208634,4871,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,208654,4872,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,208689,4873,1
N,15,NH4Cl,ammonia nitrogen,,,,,ppm,,external,,,,,,,,,,,,208689,4873,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,208706,4874,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208706,4874,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208706,4874,1
H,1,TSP,methyl,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,208728,4875,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208743,4876,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208743,4876,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208743,4876,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,208764,4877,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,external,,,,,,,,208786,4878,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,208786,4878,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,208786,4878,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208817,4879,1
H,1,TMS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,208817,4879,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208817,4879,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,208830,488,1
H,1,H2O,protons,,,,,ppm,4.776,internal,direct,,internal,,,2,ref_1,temperature and pH,,,,208856,4880,1
C,13,DDS,methyl protons,,,,,ppm,0.00,,indirect,0.251449527,,,,2,ref_1,,,,,208856,4880,1
N,15,DDS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,ref_1,,,,,208856,4880,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,208884,4881,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208884,4881,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,208884,4881,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,,,,,,,,208900,4882,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,208913,4883,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208913,4883,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,208942,4884,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,208942,4884,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,208942,4884,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,,external,cylindrical,parallel_to_Bo,,,,,,,208964,4885,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,208964,4885,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,208964,4885,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,208987,4886,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,208987,4886,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,209003,4887,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209003,4887,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209017,4888,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209017,4888,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209035,4889,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209035,4889,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,209048,489,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209069,4890,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209086,4891,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,209110,4892,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209110,4892,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209110,4892,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209125,4893,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209125,4893,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209125,4893,1
C,13,UUCG RNA tetraloop,aromatic,,,,,ppm,105.1,internal,direct,,internal,spherical,perpendicular_to_Bo,,,,,,,209139,4894,1
H,1,UUCG RNA tetraloop,methylene protons,,,,,ppm,2.78,internal,direct,,internal,spherical,perpendicular_to_Bo,,,,,,,209139,4894,1
N,15,UUCG RNA tetraloop,aromatic,,,,,ppm,144.8,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,209139,4894,1
P,31,UUCG RNA tetraloop,phosphorous,,,,,ppm,-3.60,internal,direct,,internal,spherical,parallel_to_Bo,,,,,,,209139,4894,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,parallel_to_Bo,,,,,,,209160,4895,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209189,4896,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209189,4896,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209189,4896,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209212,4897,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209212,4897,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,209212,4897,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209212,4897,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209248,4898,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209248,4898,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,209248,4898,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209248,4898,1
C,13,DSS,protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209273,4899,1
H,1,H2O,protons,,,,,ppm,4.81,internal,direct,,,,,,,,,,,209273,4899,1
N,15,DSS,protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209273,4899,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,209286,49,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,209299,490,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209315,4900,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209315,4900,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,209347,4901,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209347,4901,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209347,4901,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,209377,4902,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,,,0.251449530,,,,,,,,209377,4902,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,,,0.101329118,,,,,,,,209377,4902,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209401,4905,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209401,4905,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209401,4905,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,209433,4906,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209433,4906,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209433,4906,1
H,1,Methanol,hydroxyl proton,,,,,ppm,4.9,internal,direct,,,,,,,,,,,209451,4907,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,external,,,,,temperature,,,,209478,4908,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132905,external,,,,,temperature,,,,209478,4908,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144952,external,,,,,temperature,,,,209478,4908,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,209499,4909,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,209499,4909,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,209499,4909,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,209512,491,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209529,4910,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209529,4910,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,209558,4911,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,209558,4911,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,209558,4911,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209581,4912,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209581,4912,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209581,4912,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,209594,4913,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,209594,4913,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,209594,4913,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,209613,4914,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,1,entry_citation,,,1,entry_citation,209634,4915,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,209634,4915,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,209634,4915,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209656,4916,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,209678,4917,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,209705,4918,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209705,4918,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209729,4919,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209729,4919,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209729,4919,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209752,4920,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209752,4920,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209752,4920,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209781,4921,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209807,4922,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209807,4922,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209807,4922,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,parallel_to_Bo,,,,,,,209821,4923,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209835,4924,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,209857,4925,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,209857,4925,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,209857,4925,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209871,4926,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209900,4927,1
H,1,H2O,proton,,,,,ppm,4.754,internal,direct,,,,,,,,,,,209900,4927,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209900,4927,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,209925,4928,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,209925,4928,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,209925,4928,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209954,4929,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209954,4929,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209954,4929,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,209971,4930,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209971,4930,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,209992,4931,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,209992,4931,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,209992,4931,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,210009,4932,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,210035,4933,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210035,4933,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210059,4934,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210059,4934,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210059,4934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external,cylindrical,parallel,,,,,,,210088,4935,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449519,external,cylindrical,parallel,,,,,,,210088,4935,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329112,external,cylindrical,parallel,,,,,,,210088,4935,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210107,4936,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210107,4936,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210107,4936,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,210124,4937,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210138,4938,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210138,4938,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210138,4938,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,210163,4939,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.0,external,indirect,,,,,,,,,,,210163,4939,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,210176,494,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,210194,4940,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,,,,,,,,,,,210194,4940,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210194,4940,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210220,4941,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210220,4941,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,210220,4941,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210220,4941,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,external,,,,,,,,,210235,4942,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,internal,,,,,,,,,210235,4942,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,external,,,,,,,,,210235,4942,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210256,4943,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,210287,4944,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210287,4944,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210287,4944,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210310,4945,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210310,4945,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210310,4945,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,210326,4946,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,,,,,210344,4947,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,210363,4948,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,210377,495,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210398,4950,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210421,4951,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,210434,4952,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,210434,4952,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,210434,4952,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210466,4953,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210466,4953,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210466,4953,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,210486,4954,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210486,4954,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210486,4954,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,210502,4955,1
H,1,DSS,methyl protons,,,,,ppm,0,,indirect,1.0,,,,,,,,,,210502,4955,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,210502,4955,1
C,13,TMS,methyl carbons,,,,,ppm,0.0,external,direct,,,,,,,,,,,210517,4956,1
H,1,H2O,protons,,,,,ppm,4.68,internal,direct,,,,,,,,,,,210517,4956,1
N,15,NH3,nitrogen,,,,,ppm,0.0,external,direct,,,,,,,,,,,210517,4956,1
H,1,TSP,methyl protons,,,,,ppm,0.0,,direct,1.0,external,,parallel,,,,,,,210532,4957,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210532,4957,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210532,4957,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210558,4958,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210558,4958,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210558,4958,1
H,1,H2O,proton,,,,,ppm,4.713,internal,direct,,,,,,,,,,,210593,4959,1
N,15,DSS,proton,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,210593,4959,1
C,13,DSS,proton,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,210593,4959,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,210606,496,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,100.0,internal,,,1,entry_citation,,,1,entry_citation,210625,4960,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,210655,4961,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,210655,4961,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,210655,4961,1
H,1,H2O,proton,,,,,ppm,4.73,internal,direct,,internal,cylindrical,parallel,,,temperature,,,,210700,4963,1
C,13,sodium acetate,methyl carbon,,,,,ppm,25.85,external,direct,,external,cylindrical,parallel,,,,,,,210700,4963,1
N,15,urea,guanidinyl,,,,,ppm,78.98,external,direct,,external,cylindrical,parallel,,,,,,,210700,4963,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210734,4964,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210734,4964,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210734,4964,1
H,1,TSP,methyl protons,,,,,ppm,0.000,external,direct,,external,cylindrical,parallel,,,,,,,210769,4965,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210769,4965,1
N,15,liquid ammonia,nitrogen,,,,,ppm,,external,indirect,,,,,,,,,,,210769,4965,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210786,4966,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210786,4966,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210805,4967,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210805,4967,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210805,4967,1
C,13,DSS,,,,,,ppm,,,indirect,0.251449537,,,,,,,,,,210819,4968,1
H,1,DSS,,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,,,,,,,,210819,4968,1
N,15,DSS,,,,,,ppm,,,indirect,0.101329118,,,,,,,,,,210819,4968,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210834,4969,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,210834,4969,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210834,4969,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,210847,497,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210961,4971,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210961,4971,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,210985,4972,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,210985,4972,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,210985,4972,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211007,4973,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211007,4973,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211007,4973,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211021,4974,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211021,4974,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211021,4974,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,,,,,,,211039,4975,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external,cylindrical,parallel,,,,,,,211039,4975,1
H,1,H2O,H,,,,,ppm,4.82,internal,direct,,internal,,,,,,,,,211062,4976,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211085,4977,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211085,4977,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211123,4978,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211123,4978,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211123,4978,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,,,,,211145,4979,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211145,4979,1
N,,[15N]nitric acid,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,211160,498,1
H,1,H2O,,,,,,ppm,4.70,internal,direct,,,,,,,,,,,211184,4980,1
N,15,DSS,,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,211184,4980,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211210,4981,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211210,4981,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211210,4981,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external,cylindrical,parallel,,,temperature,-0.010167,5,ref_4,211243,4982,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,cylindrical,parallel,6,ref_5,,,,,211243,4982,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,cylindrical,parallel,6,ref_5,,,,,211243,4982,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,211270,4983,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,211270,4983,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,211270,4983,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211286,4984,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211286,4984,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211286,4984,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,211318,4985,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,211318,4985,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,211318,4985,1
H,1,H2O,H2O,,,,,ppm,4.658,internal,direct,,internal,cylindrical,parallel,,,,,,,211338,4986,1
C,13,sodium acetate,methyl,,,,,ppm,25.87,external,direct,,external,cylindrical,parallel,,,,,,,211338,4986,1
N,15,urea,methyl,,,,,ppm,79.0,external,direct,,external,cylindrical,parallel,,,,,,,211338,4986,1
C,13,sodium acetate,methyl,,,,,ppm,25.87,external,direct,,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,211373,4987,1
H,1,H2O,H2O,,,,,ppm,4.658,internal,direct,,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,211373,4987,1
N,15,urea,methyl,,,,,ppm,79.0,external,direct,,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,211373,4987,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,,,,,,,,211392,4988,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211409,4989,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211409,4989,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211409,4989,1
H,,HOD,,,,,,ppm,4.63,,,,,,,,,,,,,211425,499,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211440,4990,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211453,4991,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211453,4991,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211453,4991,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,211482,4992,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,211482,4992,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,211482,4992,1
H,1,H2O,proton,,,,,ppm,4.75,internal,direct,,,,,,,,,,,211505,4993,1
C,13,DSS,methyl protons,,,,,ppm,43.0,,indirect,0.25146,,,,,,,,,,211534,4994,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211534,4994,1
N,15,DSS,methyl protons,,,,,ppm,118.0,,indirect,0.10134,,,,,,,,,,211534,4994,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211577,4995,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211577,4995,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211577,4995,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211596,4996,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211596,4996,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211596,4996,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211616,4997,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211616,4997,1
H,1,TMS,methyl proton,,,,,ppm,0.00,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,211640,4998,1
C,13,TMS,methyl proton,,,,,ppm,0.00,external,indirect,0.25145002,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,211640,4998,1
N,15,TMS,methyl proton,,,,,ppm,0.00,external,indirect,0.10132914,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,211640,4998,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,211665,4999,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,211665,4999,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,211665,4999,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,211676,5,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,211689,50,1
H,,HOD,,,,,,ppm,4.63,,,,,,,,,,,,,211705,500,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,211727,5000,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,211727,5000,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,211727,5000,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,211745,50000,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,211745,50000,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,211745,50000,1
C,13,water,H,,,,,ppm,4.7729,internal,indirect,0.25144953,,,,,,,,,,211770,50001,1
H,1,water,H,,,,,ppm,4.7729,internal,direct,1,,,,,,,,,,211770,50001,1
N,15,water,H,,,,,ppm,4.7729,internal,indirect,0.10132912,,,,,,,,,,211770,50001,1
C,13,water,protons,,,,,ppm,,internal,indirect,,,,,,,,,,,211789,50003,1
H,1,water,protons,,,,,ppm,,internal,direct,1,,,,,,,,,,211789,50003,1
N,15,water,protons,,,,,ppm,,internal,indirect,,,,,,,,,,,211789,50003,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,211802,50004,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,211802,50004,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,211802,50004,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.251449530,,,,,,,,,,211819,50007,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,211819,50007,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,direct,0.101329118,,,,,,,,,,211819,50007,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,211833,50008,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,211833,50008,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,211833,50008,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,211833,50008,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,211851,50009,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,211851,50009,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,211851,50009,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,1,,,,,,,,,,211867,50010,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,211867,50010,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,211867,50010,1
C,13,DSS,methyl carbons,,,,,ppm,0,na,indirect,1,,,,,,,,,,211882,50011,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,211882,50011,1
N,15,DSS,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,211882,50011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,211926,50014,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,211926,50014,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,211926,50014,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,211944,50017,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,0.08,,,211944,50017,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,211944,50017,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,211960,50019,1
C,13,water,H2O,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,211992,50021,1
H,1,water,H2O,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,211992,50021,1
N,15,water,H2O,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,211992,50021,1
C,13,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212005,50022,1
H,1,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212005,50022,1
N,15,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212005,50022,1
C,13,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212018,50023,1
H,1,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212018,50023,1
N,15,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212018,50023,1
C,13,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212031,50024,1
H,1,h2o,h,,,,,ppm,4.8,internal,indirect,1,,,,,,,,,,212031,50024,1
C,13,DSS,'methyl protons,,,,,ppm,2.662318,internal,indirect,0.25144953,,,,,,,,,,212046,50025,1
H,1,DSS,'methyl protons,,,,,ppm,-0.034601993,internal,indirect,1,,,,,,,,,,212046,50025,1
N,15,DSS,'methyl protons,,,,,ppm,0.000864778,internal,indirect,0.101329118,,,,,,,,,,212046,50025,1
C,13,L-alanine powder,carboxyl carbon,,,,,ppm,179.65,external,direct,1,,,,,,,,,,212060,50026,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,3.97622689,,,,,,,,,,212060,50026,1
N,15,liquid anhydrous ammonia,nitrogen,,,,,ppm,0,external,indirect,0.402907564,,,,,,,,,,212060,50026,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,212073,50027,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,212073,50027,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212073,50027,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,212088,50028,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,212088,50028,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212088,50028,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212106,50030,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,212106,50030,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212119,50031,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,212119,50031,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212132,50032,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,212132,50032,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212145,50033,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,212145,50033,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,212159,5004,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212159,5004,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,212159,5004,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,212182,5005,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,212182,5005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132918,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,212182,5005,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,External_in_the_sample,,,,,,,,,212197,5006,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,212223,5007,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,212223,5007,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212223,5007,1
H,0,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,212236,50074,1
H,1,water,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,212236,50074,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,212256,50075,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,212256,50075,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212256,50075,1
P,31,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.404808636,,,,,,,,,,212256,50075,1
C,13,DSS,methyl protons,,,,,ppm,0.244,internal,indirect,,,,,,,,,,,212269,50077,1
H,1,DSS,methyl protons,,,,,ppm,0.244,internal,direct,1,,,,,,,,,,212269,50077,1
N,15,DSS,methyl protons,,,,,ppm,0.244,internal,indirect,,,,,,,,,,,212269,50077,1
C,13,DSS,methyl protons,,,,,ppm,0.244,internal,indirect,,,,,,,,,,,212282,50078,1
H,1,DSS,methyl protons,,,,,ppm,0.22,internal,direct,1,,,,,,,,,,212282,50078,1
N,15,DSS,methyl protons,,,,,ppm,0.244,internal,indirect,,,,,,,,,,,212282,50078,1
C,13,DSS,methyl protons,,,,,ppm,0.244,internal,indirect,,,,,,,,,,,212295,50079,1
H,1,DSS,methyl protons,,,,,ppm,0.22,internal,direct,1,,,,,,,,,,212295,50079,1
N,15,DSS,methyl protons,,,,,ppm,0.244,internal,indirect,,,,,,,,,,,212295,50079,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,212315,5008,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212315,5008,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,212315,5008,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,212328,50084,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212328,50084,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,212328,50084,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,212341,50085,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212341,50085,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,212341,50085,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,212357,50088,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,212357,50088,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,212357,50088,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,212381,5009,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212381,5009,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,212381,5009,1
C,13,water,protons,,,,,ppm,4.7,na,indirect,0.251449530,,,,,,,,,,212396,50090,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,,,,,212396,50090,1
N,15,water,protons,,,,,ppm,4.7,na,indirect,0.101329118,,,,,,,,,,212396,50090,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,212414,50093,1
H,1,water,protons,,,,,ppm,4.775,internal,direct,1.0,,,,,,,,,,212414,50093,1
N,15,water,protons,,,,,ppm,0,internal,indirect,0.1013414,,,,,,,,,,212414,50093,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,212430,50095,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212430,50095,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,212446,50096,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212446,50096,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1,,,,,,,,,,212461,50097,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212461,50097,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,212474,50098,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,212474,50098,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,212474,50098,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,212487,50099,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,212487,50099,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,212487,50099,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,212525,5010,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212525,5010,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,212525,5010,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,212538,50100,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,212538,50100,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,212538,50100,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,212551,50101,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,212551,50101,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,212551,50101,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,212564,50102,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,212564,50102,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,212564,50102,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,212577,50103,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,212577,50103,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,212577,50103,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,212592,50104,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,212592,50104,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,212592,50104,1
C,13,water,protons,,,,,ppm,4.774,internal,indirect,0.251449530,,,,,,,,,,212605,50105,1
H,1,water,protons,,,,,ppm,4.774,internal,direct,1,,,,,,,,,,212605,50105,1
N,15,water,protons,,,,,ppm,4.774,internal,indirect,0.101329118,,,,,,,,,,212605,50105,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,212620,50106,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,212620,50106,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,212620,50106,1
C,13,TSP-d4,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,212636,50107,1
H,1,TSP-d4,methyl protons,,,,,ppm,0.0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,212636,50107,1
N,15,TSP-d4,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,212636,50107,1
C,13,TSP-d4,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,212654,50108,1
H,1,TSP-d4,methyl protons,,,,,ppm,0.0,external,direct,1,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,212654,50108,1
N,15,TSP-d4,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,212654,50108,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212667,50109,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,212690,5011,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212690,5011,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,212690,5011,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,212707,50110,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,,,,,,,,,212707,50110,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,212721,50113,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212721,50113,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,212721,50113,1
C,13,na,methyl carbon,,,,,ppm,0,na,indirect,0.25145,,,,,,,2.7,,,212738,50114,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,-0.026,,,212738,50114,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.10132,,,,,,,-0.012,,,212738,50114,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,212752,50115,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,212752,50115,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212752,50115,1
C,13,na,methyl carbon,,,,,ppm,0,na,indirect,0.25145,,,,,,,2.7,,,212773,50118,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,-0.026,,,212773,50118,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.10132,,,,,,,-0.012,,,212773,50118,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,212789,50119,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,212789,50119,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212789,50119,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,212806,5012,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212806,5012,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,212822,50120,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,212822,50120,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,212822,50120,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,212838,50121,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,1,,,,,,,,,,212838,50121,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.251,,,,,,,,,,212852,50122,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,212852,50122,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.101,,,,,,,,,,212852,50122,1
C,13,adamantane,methyl carbon,,,,,ppm,40.48,external,direct,1,,,,,,,,,,212865,50123,1
N,15,adamantane,methyl carbon,,,,,ppm,40.48,external,indirect,0.403163,,,,,,,,,,212865,50123,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,212879,50125,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,212879,50125,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,212879,50125,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,212895,50126,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212895,50126,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,212895,50126,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,212909,50127,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,212909,50127,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,212909,50127,1
C,13,DMSO-d5,methyl protons,,,,,ppm,2.5,internal,indirect,0.25145,,,,,,,,,,212946,50128,1
H,1,DMSO-d5,methyl protons,,,,,ppm,2.5,internal,direct,1,,,,,,,,,,212946,50128,1
N,15,DMSO-d5,methyl protons,,,,,ppm,2.2,internal,indirect,0.10136,,,,,,,,,,212946,50128,1
C,13,water,water proton,,,,,ppm,4.931,internal,indirect,0.251449530,,,,,,,,,,212971,50129,1
H,1,water,water proton,,,,,ppm,4.931,internal,direct,1,,,,,,,,,,212971,50129,1
N,15,water,water proton,,,,,ppm,4.931,internal,indirect,0.101329118,,,,,,,,,,212971,50129,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,212991,5013,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,212991,5013,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,212991,5013,1
C,13,water,water proton,,,,,ppm,4.931,internal,direct,0.251449530,,,,,,,,,,213004,50130,1
H,1,water,water proton,,,,,ppm,4.931,internal,direct,1,,,,,,,,,,213004,50130,1
N,15,water,water proton,,,,,ppm,4.931,internal,direct,0.101329118,,,,,,,,,,213004,50130,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,213017,50131,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,213017,50131,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,213030,50132,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,213030,50132,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,213043,50133,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,213043,50133,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,213056,50134,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,213056,50134,1
C,13,adamantane,methyl carbon,,,,,ppm,40.48,external,direct,1,,,,,,,,,,213069,50135,1
N,15,adamantane,nitrogen,,,,,ppm,37.6,external,indirect,0.40316395,,,,,,,,,,213069,50135,1
C,13,na,methyl carbons,,,,,ppm,0,na,indirect,0.251449530,,,,,,,,,,213085,50138,1
H,1,water,protons,,,,,ppm,4.83,internal,direct,1,,,,,,,,,,213085,50138,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,0.101329118,,,,,,,,,,213085,50138,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,213099,50139,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213099,50139,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,213099,50139,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,213129,5014,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,213129,5014,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,213129,5014,1
C,13,glucose,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,213143,50141,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213143,50141,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,0,internal,direct,1,,,,,,,,,,213143,50141,1
C,13,water,protons,,,,,ppm,4.773,na,indirect,0.25,,,,,,,,,,213156,50142,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,213156,50142,1
N,15,water,protons,,,,,ppm,4.773,na,indirect,0.10,,,,,,,,,,213156,50142,1
C,13,adamantane,methylene carbons,,,,,ppm,40.48,external,direct,0.251449528,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,213174,50152,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,39.27,external,direct,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,magic angle,,,,,,,213174,50152,1
H,1,water,protons,,,,,ppm,4.700,internal,direct,1,,,,,,,,,,213187,50153,1
C,13,water,protons,,,,,ppm,4.773,internal,indirect,0.251,,,,,,,,,,213206,50158,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1,,,,,,,,,,213206,50158,1
N,15,water,protons,,,,,ppm,4.773,internal,indirect,0.101,,,,,,,,,,213206,50158,1
C,13,water,carbon,,,,,ppm,0,internal,indirect,1,,,,,,,,,,213219,50159,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213219,50159,1
N,15,water,nitrogen,,,,,ppm,0,internal,indirect,1,,,,,,,,,,213219,50159,1
C,13,water,Carbon,,,,,ppm,0,internal,indirect,1,,,,,,,,,,213234,50160,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213234,50160,1
N,15,water,nitrogen,,,,,ppm,0,external,indirect,1,,,,,,,,,,213234,50160,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,213247,50161,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,213247,50161,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,213247,50161,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,213260,50162,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,213273,50163,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,213286,50164,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,213299,50165,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,213325,50166,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213325,50166,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,213325,50166,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213349,50172,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213366,50173,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213381,50174,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213396,50175,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213411,50176,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213426,50177,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213441,50178,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213456,50179,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,213475,5018,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,213475,5018,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,213475,5018,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213490,50180,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213505,50181,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213520,50182,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213535,50183,1
C,13,A5,carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,213548,50185,1
H,1,A5,protons,,,,,ppm,0,na,direct,1,,,,,,,,,,213548,50185,1
N,15,A5,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,213548,50185,1
C,13,na,methyl carbon,,,,,ppm,31.45,internal,direct,1,,,,,,,,,,213561,50186,1
H,1,na,protons,,,,,ppm,2.225,internal,direct,1,,,,,,,,,,213561,50186,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213577,50187,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213577,50187,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213577,50187,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,213600,5019,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,213600,5019,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,213600,5019,1
C,13,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213616,50191,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213616,50191,1
N,15,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213616,50191,1
C,13,MLF,Met-CA,,,,,ppm,52,external,direct,1,,,,,,,,,,213629,50192,1
N,15,MLF,Met-N,,,,,ppm,125.5,external,direct,1,,,,,,,,,,213629,50192,1
C,13,water,protons,,,,,ppm,4.782,internal,indirect,0.25144953,,,,,,,,,,213642,50196,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1,,,,,,,,,,213642,50196,1
N,15,water,protons,,,,,ppm,4.782,internal,indirect,0.101329118,,,,,,,,,,213642,50196,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213657,50198,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,213657,50198,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213671,50199,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,213671,50199,1
C,13,H2O,protons,,,,,ppm,4.8,,indirect,,,,,,,,,,,213689,5020,1
H,1,H2O,protons,,,,,ppm,4.8,,direct,,,,,,,,,,,213689,5020,1
C,13,adamantane,methylene carbons,,,,,ppm,31.48,external,direct,1,,,,,,,,,,213715,50202,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213715,50202,1
N,15,Histidine,nitrogen,,,,,ppm,175.17,external,direct,1,,,,,,,,,,213715,50202,1
H,1,15N-Acetyl-Glycine,protons,,,,,ppm,7.917,internal,direct,1,,,,,,,,,,213731,50203,1
N,15,15N-Acetyl-Glycine,nitrogen,,,,,ppm,121.088,internal,direct,1,,,,,,,,,,213731,50203,1
C,13,water,carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,213744,50204,1
H,1,water,protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,213744,50204,1
N,15,water,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,213744,50204,1
C,13,H2O,HO,,,,,ppm,4.76,internal,indirect,0.25,,,,,,,,,,213763,50205,1
H,1,H2O,HO,,,,,ppm,4.76,na,direct,1,,,,,,,,,,213763,50205,1
N,15,H2O,HO,,,,,ppm,4.76,internal,indirect,0.1,,,,,,,,,,213763,50205,1
C,13,water,protons,,,,,ppm,4.782,internal,indirect,0.251449530,,,,,,,,,,213782,50206,1
H,1,water,protons,,,,,ppm,4.782,internal,direct,1,,,,,,,,,,213782,50206,1
N,15,water,protons,,,,,ppm,4.782,internal,indirect,0.101329118,,,,,,,,,,213782,50206,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213798,50207,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,213798,50207,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213813,50208,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,1,,,,,,,,,,213813,50208,1
C,13,DMSO,methyl carbon,,,,,ppm,39.51,,,,,,,,,,,,,213831,5021,1
H,1,DMSO,methyl proton,,,,,ppm,2.50,,,,,,,,,,,,,213831,5021,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.2514502001,,,,,,,,,,213845,50211,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,213845,50211,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329120,,,,,,,,,,213845,50211,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,213866,50212,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213866,50212,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,213866,50212,1
C,13,water,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,213888,50213,1
H,1,water,methyl protons,,,,,ppm,4.8,internal,direct,1.000000000,,,,,,,,,,213888,50213,1
N,15,water,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,213888,50213,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,213904,50214,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,213904,50214,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,213922,50215,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,213922,50215,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329,,,,,,,,,,213922,50215,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,213937,50216,1
H,1,DSS,methyl protons,,,,,ppm,0,na,indirect,1,,,,,,,,,,213937,50216,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,213937,50216,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,213951,50218,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213951,50218,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,213951,50218,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,213965,50219,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,213965,50219,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,213965,50219,1
H,1,TSP,methyl protons,,,,,ppm,,,,,,,,,,,,,,213988,5022,1
N,15,TSP,methyl protons,,,,,ppm,,,,,,,,,,,,,,213988,5022,1
C,13,TSP,methyl protons,,,,,ppm,,,,,,,,,,,,,,213988,5022,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,214006,50220,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214006,50220,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,214021,50221,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214021,50221,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,214039,50228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,214039,50228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329,,,,,,,,,,214039,50228,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,214056,50229,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,214056,50229,1
N,15,na,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,,,,,,,214056,50229,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,214073,5023,1
C,13,na,carbon,,,,,ppm,0,na,indirect,1,,,,,,,,,,214087,50231,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,214087,50231,1
N,15,na,nitrogen,,,,,ppm,0,na,indirect,1,,,,,,,,,,214087,50231,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.2514,,,,,,,,,,214108,50238,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,214108,50238,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013,,,,,,,,,,214108,50238,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,perpendicular,,,,,,,214130,5024,1
C,13,water,protons,,,,,na,0,na,indirect,,,,,,,,,,,214147,50241,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1,,,,,,,,,,214147,50241,1
N,15,water,protons,,,,,na,0,na,indirect,,,,,,,,,,,214147,50241,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214162,50242,1
P,31,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,214162,50242,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,0.2514,,,,,,,,,,214187,50243,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1,,,,,,,,,,214187,50243,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,0.1013,,,,,,,,,,214187,50243,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214204,50244,1
P,31,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,214204,50244,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214218,50245,1
P,31,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,214218,50245,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214233,50246,1
P,31,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,214233,50246,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214248,50247,1
P,31,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,214248,50247,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214262,50248,1
P,31,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,214262,50248,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214276,50249,1
P,31,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,,,,,,,214276,50249,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,perpendicular,1,entry_citation,,,1,entry_citation,214301,5025,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,214301,5025,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251,,,,,,,,,,214332,50250,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,,,,,,,214332,50250,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101,,,,,,,,,,214332,50250,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,214346,50253,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,214346,50253,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,214346,50253,1
C,13,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,214364,50254,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214364,50254,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,214364,50254,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214378,50255,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,214378,50255,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214393,50257,1
N,15,DSS,methyl protons,,,,,ppm,0,na,indirect,,,,,,,,,,,214393,50257,1
H,1,"1,4-dioxane",,,,,,ppm,3.743,internal,,1.0,,,,,,,,,,214414,5026,1
C,13,DSS,methyl protons,,,,,ppm,0,external,direct,0.251,,,,,,,,,,214433,50260,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,214433,50260,1
N,15,DSS,methyl protons,,,,,na,0.00,na,indirect,0.101329,,,,,,,,,,214433,50260,1
C,13,water,protons,,,,,na,0,na,indirect,,,,,,,,,,,214448,50261,1
H,1,water,protons,,,,,ppm,4.67,internal,direct,1,,,,,,,,,,214448,50261,1
N,15,water,protons,,,,,na,0,na,indirect,,,,,,,,,,,214448,50261,1
C,13,HOD,protons,,,,,ppm,4.72,internal,indirect,0.251449530,,,,,,,,,,214464,50262,1
H,1,HOD,protons,,,,,ppm,4.72,internal,direct,1.0,,,,,,,,,,214464,50262,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214478,50263,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,214478,50263,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214478,50263,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214492,50264,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,214492,50264,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214492,50264,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214507,50265,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,214507,50265,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214507,50265,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251,,,,,,,,,,214526,50267,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,214526,50267,1
N,15,DSS,methyl protons,,,,,na,0.00,na,indirect,0.101329,,,,,,,,,,214526,50267,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,214550,50268,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,214581,5027,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,214581,5027,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,214581,5027,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,direct,1,,,,,,,,,,214598,50273,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,214598,50273,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,,,,,,,,,,,214598,50273,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,214615,50274,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,214615,50274,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,214615,50274,1
C,13,DSS,methyl carbon,,,,,ppm,40.48,external,direct,1,,,,,,,,,,214631,50275,1
N,15,DSS,methyl carbon,,,,,ppm,40.48,external,indirect,,,,,,,,,,,214631,50275,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214645,50276,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,214645,50276,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,214645,50276,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,214661,50277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,214661,50277,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,214661,50277,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,214679,50278,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,214698,5028,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,external,cylindrical,parallel,,,,,,,214712,5029,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1,,,,,,,,,,214746,50298,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214746,50298,1
N,15,na,nitrogen,,,,,na,0,na,direct,1,,,,,,,,,,214746,50298,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,214763,50299,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,214763,50299,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,214763,50299,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,,,,,,,,,214784,5030,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,,,,,,,214784,5030,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,,,,,,,,,214784,5030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,214800,50300,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,214800,50300,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,214800,50300,1
C,13,water,protons,,,,,ppm,4.650,internal,indirect,0.25145,,,,,,,,,,214813,50301,1
H,1,water,protons,,,,,ppm,4.650,internal,direct,1,,,,,,,,,,214813,50301,1
N,15,water,protons,,,,,ppm,4.650,internal,indirect,0.101329,,,,,,,,,,214813,50301,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,214829,50302,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,214829,50302,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,214829,50302,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,214845,50308,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,214845,50308,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,214845,50308,1
C,13,glucose,methyl protons,,,,,ppm,0,internal,direct,0.251449530,,,,,,,,,,214858,50309,1
H,1,water,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,214858,50309,1
N,15,[15N] ammonium chloride,methyl protons,,,,,ppm,0,internal,direct,0.101329118,,,,,,,,,,214858,50309,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,214882,5031,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,214882,5031,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,214882,5031,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214895,50315,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214908,50316,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214921,50317,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214934,50318,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214947,50319,1
H,1,H2O,proton,,,,,ppm,4.773,internal,direct,,internal,cylindrical,parallel,,,,,,,214968,5032,1
N,15,H2O,proton,,,,,ppm,4.773,internal,indirect,0.101329118,internal,cylindrical,parallel,,,,,,,214968,5032,1
C,13,H2O,proton,,,,,ppm,4.773,internal,indirect,0.251449530,internal,cylindrical,parallel,,,,,,,214968,5032,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214981,50320,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,214994,50321,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,215007,50322,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,215020,50323,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,215036,50329,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,215036,50329,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,215036,50329,1
H,1,H2O,H,,,,,ppm,4.82,internal,direct,,internal,1.0,,,,,,,,215053,5033,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,215108,50334,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,215108,50334,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,215108,50334,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,215125,50335,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,215125,50335,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,215125,50335,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,215141,50336,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1,,,,,,,,,,215141,50336,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,215141,50336,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215157,50339,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215157,50339,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215157,50339,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,215174,5034,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215192,50340,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215192,50340,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215192,50340,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215207,50341,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215207,50341,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215207,50341,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215226,50342,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215226,50342,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215226,50342,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215247,50343,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215247,50343,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215247,50343,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215263,50344,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215263,50344,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215263,50344,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215278,50346,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215278,50346,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215278,50346,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215296,50347,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215296,50347,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215296,50347,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215315,50348,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215315,50348,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215315,50348,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215336,50349,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215336,50349,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215336,50349,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215351,50350,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215351,50350,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215351,50350,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215370,50351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215370,50351,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215370,50351,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215386,50352,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215386,50352,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215386,50352,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215401,50353,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215401,50353,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215401,50353,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,215424,5036,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,215424,5036,1
C,13,water,protons,,,,,ppm,4.7,internal,indirect,0.25,,,,,,,,,,215442,50369,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,215442,50369,1
N,15,water,protons,,,,,ppm,4.7,internal,indirect,0.1,,,,,,,,,,215442,50369,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,215459,5037,1
C,13,glucose,methyl carbons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,215474,50371,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,215474,50371,1
N,15,[15N] ammonium chloride,nitrogen,,,,,ppm,4.7,internal,direct,1,,,,,,,,,,215474,50371,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,215489,5038,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,215489,5038,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,215489,5038,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,215504,50385,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,215504,50385,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,,,,,,,,,,,215504,50385,1
C,13,na,na,,,,,na,4.7,na,direct,1,,,,,,,,,,215522,50386,1
H,1,na,na,,,,,na,4.7,na,direct,1,,,,,,,,,,215522,50386,1
N,15,na,na,,,,,na,4.7,na,direct,1,,,,,,,,,,215522,50386,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215538,50387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215538,50387,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215538,50387,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215555,50388,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215555,50388,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215555,50388,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215569,50389,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215569,50389,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215569,50389,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,215582,5039,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215604,50392,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215604,50392,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215604,50392,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,215625,5040,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,215625,5040,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,215625,5040,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215646,50405,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215646,50405,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215646,50405,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215661,50407,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215661,50407,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215661,50407,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215675,50408,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215675,50408,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215675,50408,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,215689,50409,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,215689,50409,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,215689,50409,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,215711,5041,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,215711,5041,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,215711,5041,1
C,13,water,protons,,,,,ppm,4.702,internal,indirect,,,,,,,,,,,215731,50412,1
H,1,water,protons,,,,,ppm,4.702,internal,direct,1,,,,,,,,,,215731,50412,1
N,15,water,protons,,,,,ppm,4.702,internal,indirect,,,,,,,,,,,215731,50412,1
C,13,water,protons,,,,,ppm,4.702,internal,indirect,,,,,,,,,,,215732,50412,2
H,1,water,protons,,,,,ppm,4.702,internal,direct,1,,,,,,,,,,215732,50412,2
N,15,water,protons,,,,,ppm,4.702,internal,indirect,,,,,,,,,,,215732,50412,2
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,215749,50414,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,215749,50414,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,215749,50414,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,215763,5042,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,215763,5042,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,215763,5042,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,215781,5043,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,215809,5044,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,215809,5044,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,215809,5044,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215834,50454,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215834,50454,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215834,50454,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215857,50455,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215857,50455,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215857,50455,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215879,50456,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215879,50456,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215879,50456,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215901,50457,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215901,50457,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215901,50457,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215923,50458,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215923,50458,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215923,50458,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215944,50459,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215944,50459,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215944,50459,1
H,1,H2O,proton,,,,,ppm,4.76,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,215969,5046,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215986,50460,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215986,50460,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,215986,50460,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,216006,50461,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,separate tube (no insert) similar to the experimental sample tube,cylindrical,parallel,,,,,,,216006,50461,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,216027,50463,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,cylindrical,,,,,,,,216046,5047,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,216046,5047,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,,,,,,,,,,,216061,50478,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,,,,,,,216061,50478,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,,,,,,,,,,,216061,50478,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216084,5048,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216084,5048,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216099,5049,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,216099,5049,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216099,5049,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,,,,,,,216113,505,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216130,5050,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,216145,50509,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,216145,50509,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,216145,50509,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,216173,5051,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216173,5051,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216173,5051,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,216187,5052,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216213,5053,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216213,5053,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216213,5053,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216247,5054,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216247,5054,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216247,5054,1
H,1,H2O,protons,,,,,ppm,4.77,internal,direct,,internal,,parallel,,,,,,,216276,5055,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216293,5056,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216293,5056,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216293,5056,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216309,5057,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216333,5058,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,228009,559,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216333,5058,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216333,5058,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216358,5059,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216358,5059,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216358,5059,1
H,,H2O/HDO,,,,,,ppm,4.8,,,,,,,,,,,,,216372,506,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216401,5060,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216401,5060,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216401,5060,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216415,5061,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216415,5061,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216415,5061,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,216445,5062,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132905,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,216445,5062,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216470,5064,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216470,5064,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216470,5064,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216503,5065,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216503,5065,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216503,5065,1
H,1,water,protons,,,,,ppm,4.94,internal,direct,,internal,,,,,temperature,0.18,2,ref_1,216525,5066,1
N,15,water,protons,,,,,ppm,,external,indirect,,external,,,,,,,2,ref_1,216525,5066,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216544,5067,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216544,5067,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216544,5067,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,,,,,,,,,,216564,5068,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,,,,,,,,,,216584,5069,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,216597,507,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,216624,5070,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216624,5070,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216624,5070,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,216654,5071,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,216654,5071,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,216654,5071,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216677,5072,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,216677,5072,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216677,5072,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,216692,5073,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,216692,5073,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,216692,5073,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,216709,5074,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216727,5075,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,216727,5075,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216727,5075,1
H,1,TSP,methyl protons,,,,,ppm,0.00,,direct,,,,,1,entry_citation,,,1,entry_citation,216745,5076,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.00,,indirect,,,,,1,entry_citation,,,1,entry_citation,216745,5076,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216793,5077,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216793,5077,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216793,5077,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216814,5078,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216814,5078,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216814,5078,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,216858,508,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,216907,5081,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216907,5081,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,216907,5081,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216922,5082,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,216940,5083,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216940,5083,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,216965,5084,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,216965,5084,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,216995,5085,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,216995,5085,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,216995,5085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,217016,5086,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,217035,5087,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,217053,5088,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,217072,5089,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,217086,509,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217099,5090,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217099,5090,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217099,5090,1
H,1,TSP,methy protons,,,,,ppm,,,,1.0,,,,1,entry_citation,,,1,entry_citation,217121,5091,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217140,5092,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217171,5093,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217171,5093,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217171,5093,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,217194,5094,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,217194,5094,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,217220,5096,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217240,5097,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.0,external,spherical,parallel,,,,,,,217258,5098,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217289,5099,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217289,5099,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217289,5099,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,217303,510,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217336,5100,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217336,5100,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217336,5100,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,217360,5101,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217360,5101,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217360,5101,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217381,5102,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,217381,5102,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217381,5102,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217402,5103,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217402,5103,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217402,5103,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217416,5104,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217416,5104,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217416,5104,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217430,5105,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217430,5105,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217430,5105,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217453,5106,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217453,5106,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217453,5106,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217479,5107,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217479,5107,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217479,5107,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217498,5108,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217517,5109,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,217532,511,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217552,5110,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217572,5111,1
H,1,water,protons,,,,,ppm,4.93,,,1.0,,,,,,,,,,217597,5112,1
H,1,water,protons,,,,,ppm,4.93,,,1.0,,,,,,,,,,217619,5113,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,,1.0,,,,,,,,,,217635,5114,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217668,5115,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217668,5115,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217668,5115,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217699,5116,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217699,5116,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217699,5116,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217722,5117,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217722,5117,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217751,5119,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,217751,5119,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217751,5119,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,217765,512,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217780,5120,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217800,5121,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217818,5122,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217818,5122,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217834,5123,1
H,1,TSP,methyl,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217849,5124,1
H,1,TSP,methyl,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,217865,5125,1
H,1,TSP,methyl protons,,,,,ppm,0.000,internal,direct,1.0,internal,,parallel,,,,,,,217890,5126,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217890,5126,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217890,5126,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217903,5127,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217903,5127,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217903,5127,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217928,5128,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217928,5128,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217928,5128,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217954,5129,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,236594,5967,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,217954,5129,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,217954,5129,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,217968,513,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,217981,5130,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218013,5131,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218013,5131,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218013,5131,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218030,5132,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218030,5132,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218045,5133,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218045,5133,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218045,5133,1
H,1,TMS,methyl protons,,,,,ppm,0.000,internal,direct,,,,,,,,,,,218068,5134,1
P,31,H3PO4,PO4,,,,,ppm,0.000,external,direct,,external,cylindrical,,,,,,,,218068,5134,1
H,1,TMS,methyl protons,,,,,ppm,0.000,internal,direct,,,,,,,,,,,218092,5135,1
P,31,H3PO4,PO4,,,,,ppm,0.000,external,direct,,external,cylindrical,,,,,,,,218092,5135,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218112,5136,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218131,5137,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218150,5138,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218169,5139,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,218183,514,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218202,5140,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218226,5141,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,218226,5141,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218226,5141,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218239,5142,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218255,5143,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218271,5144,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218296,5145,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218296,5145,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218296,5145,1
H,1,DSS,protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,218320,5147,1
N,15,DSS,protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,218320,5147,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,218359,5148,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,218359,5148,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,218359,5148,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal,cylindrical,parallel,,,,,,,218375,5149,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,218389,515,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218405,5150,1
H,1,H2O,protons,,,,,ppm,4.7718,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218428,5151,1
H,1,H2O,protons,,,,,ppm,4.7718,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218452,5152,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,218475,5153,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218494,5154,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,218521,5155,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,218521,5155,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,218521,5155,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218553,5156,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218553,5156,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218553,5156,1
H,1,H2O,protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,,,,,,,,218581,5157,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218602,5158,1
H,1,H2O,protons,,,,,ppm,4.50,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,218602,5158,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218602,5158,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,cylindrical,,,,,,,,218634,5159,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218634,5159,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,cylindrical,,,,,,,,218634,5159,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,218647,516,1
C,13,CD3OH,methyl carbon,,,,,ppm,49.0,internal,direct,,internal,,parallel,,,,,,,218664,5160,1
H,1,CD3OH,methyl protons,,,,,ppm,3.313,internal,direct,,internal,,parallel,,,,,,,218664,5160,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218685,5161,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218685,5161,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218685,5161,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,,,,,,,218698,5162,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,,,,,,,,,218698,5162,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,,,,,,,,,218698,5162,1
H,1,H2O,protons,,,,,ppm,4.651,internal,direct,1,internal,spherical,parallel,1,entry_citation,temperature,,1,entry_citation,218716,5163,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,218734,5164,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,internal,spherical,spherical,,,,,,,218754,5165,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,236594,5967,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218754,5165,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218754,5165,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,internal,spherical,parallel,,,,,,,218778,5166,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218778,5166,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218778,5166,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,218800,5167,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,218820,5169,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,218834,517,1
C,13,TSP,methyl protons,,,,,ppm,,external,,,,,,1,entry_citation,,,1,entry_citation,218857,5170,1
H,1,H2O,protons,,,,,ppm,4.76,internal,,,,,,1,entry_citation,,,1,entry_citation,218857,5170,1
N,15,NH4OH,nitrogen,,,,,ppm,,external,,,,,,1,entry_citation,,,1,entry_citation,218857,5170,1
H,1,,,,,,,,,,,,,,,,,,,,,218876,5171,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218901,5172,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218901,5172,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218915,5173,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel,,,,,,,218928,5174,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,,internal,spherical,parallel,,,,,,,218928,5174,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.00,external,indirect,,internal,spherical,parallel,,,,,,,218928,5174,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218942,5175,1
N,15,DSS,,,,,,ppm,0.0,,indirect,0.101329112,,,,,,,,,,218942,5175,1
C,13,DSS,,,,,,ppm,0.0,,indirect,0.251449519,,,,,,,,,,218942,5175,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,218960,5176,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,1,entry_citation,,,1,entry_citation,218960,5176,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,218994,5177,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,218994,5177,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,218994,5177,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219009,5178,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219009,5178,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219009,5178,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219023,5179,1
H,1,TMS,methyl protons,,,,,ppm,0.00,external,direct,1,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,219057,5180,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219084,5181,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219084,5181,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219084,5181,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219101,5182,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219101,5182,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219101,5182,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219125,5183,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219125,5183,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219153,5184,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219170,5185,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219170,5185,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219170,5185,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219186,5186,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219186,5186,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219186,5186,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219213,5187,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,219213,5187,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,219213,5187,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219213,5187,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219228,5188,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219259,5189,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219259,5189,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219259,5189,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219272,5190,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219272,5190,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219272,5190,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219285,5191,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219285,5191,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219285,5191,1
H,1,methanol,methyl protons,,,,,ppm,3.30,internal,direct,,internal,,,,,,,,,219300,5192,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,219321,5193,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,1,entry_citation,,,1,entry_citation,219348,5194,1
N,15,nitromethane,nitrogen,,,,,ppm,-379.6,external,direct,,,,,1,entry_citation,,,1,entry_citation,219348,5194,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,,1,entry_citation,,,1,entry_citation,219348,5194,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,219380,5197,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,219380,5197,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219402,5198,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219402,5198,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219402,5198,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219429,5199,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219429,5199,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219445,5200,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219445,5200,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,,,,,219445,5200,1
H,1,water,protons,,,,,ppm,4.72,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,219464,5201,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,219490,5202,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219490,5202,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219490,5202,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,219514,5203,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,219514,5203,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,219514,5203,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219535,5204,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219535,5204,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219535,5204,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,219554,5205,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,219581,5206,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,219581,5206,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,219581,5206,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.0,internal,,parallel,,,,,,,219605,5207,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,219630,5208,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219630,5208,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219630,5208,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219654,5209,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219654,5209,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219654,5209,1
C,13,H2O,protons,,,,,ppm,4.895,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,219675,5210,1
H,1,H2O,protons,,,,,ppm,4.895,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,219675,5210,1
N,15,H2O,protons,,,,,ppm,4.895,internal,indirect,0.10139118,,,,1,entry_citation,,,1,entry_citation,219675,5210,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,219695,5211,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,219695,5211,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,219695,5211,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,219719,5212,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,219719,5212,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,219719,5212,1
H,1,TMS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,,,,,,,219742,5213,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219742,5213,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219766,5214,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,219789,5215,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219810,5216,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219830,5217,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.000000000,internal,,parallel,,,,,,,219830,5217,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219830,5217,1
H,1,H2O,protons,,,,,ppm,,internal,direct,1.0,internal,,,,,"temperature, pH, salt concentration",,2,ref_1,219846,5218,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219846,5218,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219846,5218,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,219872,5219,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,219872,5219,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,219872,5219,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219890,5220,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219890,5220,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219890,5220,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219918,5221,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219918,5221,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219918,5221,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219934,5222,1
H,1,H2O,protons,,,,,ppm,4.8,internal,direct,1.0,,,,,,,,,,219934,5222,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219934,5222,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,219962,5223,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,219962,5223,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,219962,5223,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.00,internal,spherical,parallel,,,,,,,219987,5224,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132915035,internal,spherical,parallel,,,,,,,219987,5224,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.25145010081,internal,cylindrical,perpendicular,,,,,,,219987,5224,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220021,5225,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220021,5225,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220021,5225,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,220050,5226,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220050,5226,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220050,5226,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,220075,5227,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220075,5227,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220075,5227,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220115,5228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220115,5228,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220115,5228,1
H,1,H2O,protons,,,,,ppm,4.70,internal,direct,,internal,cylindrical,parallel,,,,,,,220146,5231,1
C,13,H2O,protons,,,,,ppm,4.70,internal,indirect,0.251449530,internal,cylindrical,parallel,,,,,,,220146,5231,1
N,15,H2O,protons,,,,,ppm,4.70,internal,indirect,0.101329118,internal,cylindrical,parallel,,,,,,,220146,5231,1
H,1,H2O,protons,,,,,ppm,4.72,internal,direct,1.0,internal,,,,,,,,,220186,5232,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220186,5232,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220186,5232,1
C,13,DSS,methyl of DSS,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,220201,5233,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220201,5233,1
N,15,DSS,methyl of DSS,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,220201,5233,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220223,5234,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220223,5234,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,220223,5234,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220223,5234,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220237,5235,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220237,5235,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220237,5235,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220254,5236,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220254,5236,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000000,external,cylindrical,parallel,,,,,,,220279,5237,1
C,13,water,protons,,,,,ppm,34.996,external,indirect,0.25150000,external,cylindrical,parallel,,,,,,,220279,5237,1
N,15,water,protons,,,,,ppm,120.002,external,indirect,0.10140000,external,cylindrical,parallel,,,,,,,220279,5237,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220294,5238,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220294,5238,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,220310,5239,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220310,5239,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,internal,spherical,parallel,,,,,,,220338,5240,1
N,15,ammonium chloride,nitrogen,,,,,ppm,119.33647,external,direct,1.0,external,spherical,parallel,,,,,,,220338,5240,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,internal,spherical,parallel,,,,,,,220366,5241,1
N,15,ammonium chloride,nitrogen,,,,,ppm,119.33647,external,direct,1.0,external,spherical,parallel,,,,,,,220366,5241,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220385,5242,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220385,5242,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220385,5242,1
H,1,T-DNA,aliphatic and base protons,,,,,ppm,,internal,,1.0,,,,1,entry_citation,,,1,entry_citation,220402,5243,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,220431,5244,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220431,5244,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220431,5244,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220457,5245,1
P,31,phosphoric acid (85%),phosphate,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,220457,5245,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220479,5246,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,220507,5247,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,220507,5247,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,220507,5247,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000,internal,,,,,,,,,220531,5248,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,220554,5249,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,220554,5249,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,220554,5249,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220568,5250,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220568,5250,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220568,5250,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220583,5251,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220583,5251,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220583,5251,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,220601,5252,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,220619,5253,1
C,13,DMSO,methyl carbons,,,,,ppm,39.51,internal,direct,1.0,internal,spherical,parallel,,,,,,,220632,5254,1
H,1,DMSO,methyl protons,,,,,ppm,2.51,internal,direct,1.0,internal,spherical,parallel,,,,,,,220632,5254,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220645,5255,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,220667,5256,1
H,1,H2O,protons,,,,,ppm,4.760,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,220667,5256,1
N,15,NH4OH,nitrogen,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,220667,5256,1
P,31,TMP,phosphate,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,220667,5256,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220681,5257,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,220704,5259,1
H,1,H2O,protons,,,,,ppm,4.760,internal,direct,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,220704,5259,1
N,15,NH4OH,nitrogen,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,220704,5259,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,236594,5967,1
P,31,TMP,phosphate,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,220704,5259,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,220728,5260,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,220728,5260,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,220728,5260,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,220744,5261,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,220744,5261,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,220744,5261,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220763,5262,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220763,5262,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,220776,5263,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,220776,5263,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,220776,5263,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220796,5264,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220814,5265,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,220841,5266,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220841,5266,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,220841,5266,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220841,5266,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,220841,5266,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,220868,5267,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220868,5267,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220868,5267,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220884,5268,1
C,13,dioxane,methylene protons,,,,,ppm,67.8,internal,direct,1.000000000,internal,cylindrical,parallel,,,,,,,220907,5269,1
H,1,H2O,protons,,,,,ppm,4.76,internal,direct,1.000000000,internal,cylindrical,parallel,,,,,,,220907,5269,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220907,5269,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220930,5270,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220930,5270,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220930,5270,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220955,5271,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220955,5271,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,220955,5271,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220982,5272,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,220982,5272,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,220999,5273,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221014,5274,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,221065,5275,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221065,5275,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221065,5275,1
C,13,DIOXANE,methylene carbons,,,,,ppm,67.80,external,direct,1.0,,,,,,,,,,221081,5276,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,,,,,,,221081,5276,1
N,15,NH4Cl,nitrogen,,,,,ppm,24.93,external,direct,1.0,,,,,,,,,,221081,5276,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,221099,5277,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,221120,5278,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221120,5278,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221120,5278,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,221138,5279,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,221138,5279,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,221138,5279,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,221176,5280,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.25144954,external,cylindrical,parallel,,,,,,,221176,5280,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.10132900,external,cylindrical,parallel,,,,,,,221176,5280,1
H,1,DMSO-d5,methyl protons,,,,,ppm,2.50,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,221192,5281,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221215,5282,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221215,5282,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221215,5282,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808688,,,,,,,,,,221215,5282,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221235,5283,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,221258,5284,1
N,15,ammonium chloride,amino nitrogen,,,,,ppm,24.93,external,direct,1.0,external,cylindrical,parallel,,,,,,,221258,5284,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,221279,5285,1
N,15,ammonium chloride,amino nitrogen,,,,,ppm,24.93,external,direct,1.0,external,cylindrical,parallel,,,,,,,221279,5285,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,221301,5286,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221301,5286,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221301,5286,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221317,5287,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221317,5287,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221317,5287,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,221340,5288,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221340,5288,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221340,5288,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221358,5289,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221376,5290,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221393,5291,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221412,5292,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,221443,5293,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221443,5293,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221443,5293,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,221469,5294,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221469,5294,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221469,5294,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221482,5295,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221497,5296,1
H,1,H2O,water signal,,,,,ppm,4.774,internal,direct,1.0,,,,,,,,,,221537,5297,1
N,15,H2O,water signal,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221537,5297,1
C,13,H2O,water signal,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221537,5297,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221562,5298,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221562,5298,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221562,5298,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221590,5299,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221590,5299,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221590,5299,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,221590,5299,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,221605,53,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,221618,530,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,221618,530,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,221618,530,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221655,5300,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221655,5300,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221655,5300,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,221675,5301,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,221675,5301,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,221722,5303,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,221722,5303,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,221722,5303,1
H,1,TMS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,221747,5304,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221747,5304,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,221770,5305,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221770,5305,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221770,5305,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,221790,5306,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221790,5306,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221790,5306,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221829,5308,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221829,5308,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221829,5308,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221863,5309,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,221863,5309,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221863,5309,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,221876,531,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.0,internal,cylindrical,parallel,,,temperature,,,,221899,5310,1
N,15,urea,amino nitrogens,,,,,ppm,78.98,external,direct,1.0,external,cylindrical,parallel,,,,,,,221899,5310,1
C,13,sodium acetate,methyl carbon,,,,,ppm,25.59,external,direct,1.0,external,cylindrical,parallel,,,,,,,221899,5310,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000000,external,cylindrical,parallel,,,,,,,221929,5311,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25144952,,,,,,,,,,221929,5311,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132905,,,,,,,,,,221929,5311,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,221952,5312,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221952,5312,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221952,5312,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,221965,5313,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,221965,5313,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,221965,5313,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,221988,5314,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,221988,5314,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,221988,5314,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222022,5315,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222022,5315,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222022,5315,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222039,5316,1
H,1,H2O,protons,,,,,ppm,4.725167,internal,indirect,1.0,internal,,,,,temperature,,,,222039,5316,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222039,5316,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222063,5317,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.1013291,,,,,,,,,,222063,5317,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.2514495,,,,,,,,,,222063,5317,1
H,1,water,protons,,,,,ppm,4.725,internal,direct,1.0,internal,cylindrical,parallel,,,temperature,,,,222082,5318,1
N,15,urea,amino nitrogens,,,,,ppm,78.98,external,direct,1.0,external,cylindrical,parallel,,,,,,,222082,5318,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,222107,5319,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222107,5319,1
,,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,222121,532,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222143,5320,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222143,5320,1
H,1,H2O,,,,,,ppm,4.782,internal,direct,1.0,internal,,,,,temperature,,,,222172,5321,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222187,5322,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222207,5323,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329144,,,,,,,,,,222207,5323,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222228,5324,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222228,5324,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,222228,5324,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222228,5324,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,222228,5324,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222246,5325,1
C,13,TMS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25145002,internal,cylindrical,parallel,,,,,,,222275,5326,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,222275,5326,1
N,15,TMS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329144,internal,cylindrical,parallel,,,,,,,222275,5326,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222297,5327,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222297,5327,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222297,5327,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222321,5328,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222321,5328,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222321,5328,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,222340,5329,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222340,5329,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,222340,5329,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,222414,5332,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222414,5332,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,222414,5332,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,222437,5333,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222437,5333,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222462,5334,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222462,5334,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222462,5334,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222483,5335,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222483,5335,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222483,5335,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,222507,5337,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222507,5337,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,222507,5337,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,222524,5338,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222524,5338,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,222540,5339,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222555,5340,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222555,5340,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222555,5340,1
H,1,H2O,protons,,,,,ppm,4.774,internal,direct,1.0,,,,,,,,,,222590,5341,1
N,15,H2O,protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222590,5341,1
C,13,H2O,protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222590,5341,1
H,1,TMS,METHYL,,,,,ppm,0.00,external,indirect,,external_to_the_sample,,,,,,,,,222608,5342,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222638,5343,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222638,5343,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222638,5343,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222658,5344,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222658,5344,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,222678,5345,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222678,5345,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,222678,5345,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel_to_Bo,,,,,,,222698,5346,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,222726,5347,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222726,5347,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,222726,5347,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222744,5348,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,222761,5349,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,222761,5349,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,222761,5349,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222777,5350,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222777,5350,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222777,5350,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,external_to_the_sample,cylindrical,parallel_to_Bo,1,entry_citation,,,1,entry_citation,222799,5351,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222815,5352,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222815,5352,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222815,5352,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,222842,5353,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222842,5353,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222860,5354,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222860,5354,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222860,5354,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222891,5355,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222891,5355,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222891,5355,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,222906,5356,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222906,5356,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222906,5356,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,222921,5357,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,222921,5357,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,222921,5357,1
C,13,DSS,,,,,,ppm,,,indirect,0.251449537,,,,,,,,,,222935,5358,1
H,1,DSS,,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,,,,,,,,222935,5358,1
N,15,DSS,,,,,,ppm,,,indirect,0.101329118,,,,,,,,,,222935,5358,1
C,13,DSS,,,,,,ppm,,,indirect,0.251449537,,,,,,,,,,222948,5359,1
H,1,DSS,,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,,,,,,,,222948,5359,1
N,15,DSS,,,,,,ppm,,,indirect,0.101329118,,,,,,,,,,222948,5359,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,cylindrical,parallel_to_Bo,,,,,,,222968,5360,1
H,1,DSS,methyl protons,,,,,ppm,1.0,internal,direct,1.0000000,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,222986,5361,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.1013291,,,,1,entry_citation,,,1,entry_citation,222986,5361,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.2514495,,,,1,entry_citation,,,1,entry_citation,222986,5361,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,1.00000000,,,,223014,5362,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,0.25144953,,,,223014,5362,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,0.101329118,,,,223014,5362,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,223050,5363,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,223050,5363,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,223050,5363,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223071,5364,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,223101,5365,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,223101,5365,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,223101,5365,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223124,5366,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223124,5366,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223124,5366,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223142,5368,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,1,entry_citation,,,1,entry_citation,223165,5369,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,223179,537,1
H,1,H2O,protons,,,,,ppm,4.7718,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,223202,5370,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,223217,5371,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223238,5372,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223253,5373,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223253,5373,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223253,5373,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223278,5374,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223278,5374,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,223297,5375,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,223319,5376,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223319,5376,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223319,5376,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,external,cylindrical,,,,,,,,223346,5377,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,cylindrical,,,,,,,,223346,5377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,cylindrical,,,,,,,,223346,5377,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,236624,5968,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,223369,5378,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223369,5378,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223369,5378,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,223390,5379,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223390,5379,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,223403,538,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,223420,5381,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223434,5382,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223434,5382,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223434,5382,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223449,5383,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,223463,5384,1
H,1,HOD,H,,,,,ppm,4.76,internal,direct,1,internal,spherical,parallel_to_Bo,,,,,,,223478,5385,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,223510,5386,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,223510,5386,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,223510,5386,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223534,5387,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223534,5387,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,,,,,,,223534,5387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,external,cylindrical,parallel,2,ref_1,,,,,223560,5388,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,cylindrical,parallel,2,ref_1,,,,,223560,5388,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,cylindrical,parallel,2,ref_1,,,,,223560,5388,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223592,5389,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223592,5389,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223592,5389,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,223605,539,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223626,5390,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223626,5390,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223626,5390,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,223644,5391,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,223644,5391,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,223644,5391,1
H,1,H2O,methyl protons,,,,,ppm,4.730,internal,direct,1.0,internal,cyclindrical,parallel_to_Bo,,,,,,,223663,5392,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223663,5392,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223663,5392,1
H,1,TSP,methyl,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,223688,5393,1
C,13,TSP,methyl,,,,,ppm,-0.2,,direct,1.0,,,,,,,,,,223688,5393,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223688,5393,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223708,5394,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223731,5395,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,223768,5396,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,223768,5396,1
H,1,H2O,protons,,,,,ppm,4.732,internal,direct,1.0,internal,,,,,,,,,223800,5397,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223800,5397,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223800,5397,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,223821,5398,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,223821,5398,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,223821,5398,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223848,5399,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223848,5399,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223848,5399,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,223861,540,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223877,5400,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223901,5401,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223901,5401,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223901,5401,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223914,5402,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223914,5402,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,223914,5402,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,223940,5403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,223940,5403,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,223940,5403,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,223972,5404,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,223972,5404,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,223972,5404,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000000,,,,,,,,,,223992,5405,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,224025,5406,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,224025,5406,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,224025,5406,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000000,internal,cylindrical,parallel,,,,,,,224054,5407,1
C,13,TMS,methyl protons,,,,,ppm,0.00,external,indirect,0.25144952,,,,,,,,,,224054,5407,1
N,15,TMS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132912,,,,,,,,,,224054,5407,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224079,5408,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,224079,5408,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,224079,5408,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224100,5409,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,224100,5409,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,224100,5409,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,224113,541,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224130,5410,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224143,5411,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224157,5412,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224171,5413,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224185,5414,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224199,5415,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224213,5416,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224227,5417,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224241,5418,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224255,5419,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224269,5420,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224283,5421,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224297,5422,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224311,5423,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224325,5424,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224339,5425,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224353,5426,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224367,5427,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224381,5428,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224395,5429,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,224412,543,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224425,5430,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224439,5431,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224453,5432,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224467,5433,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224481,5434,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224495,5435,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224509,5436,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224523,5437,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224537,5438,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224551,5439,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,224568,544,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224581,5440,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224595,5441,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224609,5442,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224623,5443,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224637,5444,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224651,5445,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224665,5446,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224679,5447,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224693,5448,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224707,5449,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,224724,545,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224737,5450,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,224752,5451,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,224767,5452,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,224782,5453,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224800,5454,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,224823,5455,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224823,5455,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,224823,5455,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,224837,5456,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224837,5456,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,224837,5456,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,224854,5457,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,224885,5458,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,224885,5458,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,224885,5458,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,224898,5459,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,224898,5459,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,224898,5459,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,224914,546,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,224943,5461,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,224943,5461,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,224943,5461,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.25144952,external,cylindrical,parallel,,,,,,,224966,5462,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,236624,5968,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000000,,,,,,,,,,224966,5462,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905,external,cylindrical,parallel,,,,,,,224966,5462,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,224985,5463,1
H,1,,,,,,,,,,,,,,,1,entry_citation,,,1,entry_citation,225007,5464,1
C,13,sodium acetate,,,,,,ppm,,,,1.0,,,,,,,,,,225028,5465,1
H,1,TSP,,,,,,ppm,,,,1.0,,,,,,,,,,225028,5465,1
N,15,urea,,,,,,ppm,,,,1.0,,,,,,,,,,225028,5465,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,225049,5466,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,225049,5466,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,225075,5467,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,225075,5467,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,225075,5467,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225093,5468,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225093,5468,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225093,5468,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225109,5469,1
C,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,225122,547,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,225122,547,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,225122,547,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225138,5470,1
H,1,H2O,protons,,,,,ppm,4.658,internal,direct,1.00,internal,cylindrical,parallel,,,,,,,225162,5471,1
C,13,acetate,methyl carbon,,,,,ppm,26.2,external,direct,1.00,external,cylindrical,parallel,,,,,,,225162,5471,1
N,15,urea,amide nitrogen,,,,,ppm,76,external,direct,1.00,external,cylindrical,parallel,,,,,,,225162,5471,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225178,5472,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225178,5472,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225178,5472,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225194,5473,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225194,5473,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225194,5473,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,,,,,,,225224,5474,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225242,5475,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225262,5476,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225282,5477,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225302,5478,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225322,5479,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,225336,548,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225380,5480,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225380,5480,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225380,5480,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225402,5481,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225402,5481,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225402,5481,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225432,5482,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225432,5482,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225432,5482,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,225469,5483,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225469,5483,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225469,5483,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225493,5484,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225493,5484,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225493,5484,1
C,13,water,protons,,,,,ppm,4.631,internal,indirect,.25145002,internal,cylindrical,parallel_to_Bo,,,,,,,225518,5485,1
N,15,water,protons,,,,,ppm,4.631,internal,indirect,.10132914,internal,cylindrical,parallel_to_Bo,,,,,,,225518,5485,1
H,1,water,protons,,,,,ppm,4.631,internal,direct,1.00,internal,cylindrical,parallel_to_Bo,,,,,,,225518,5485,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225539,5486,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225560,5487,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225579,5488,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225597,5489,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225623,5490,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225623,5490,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225623,5490,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225641,5491,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225641,5491,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,,,,,,,225657,5492,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225657,5492,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225677,5493,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,225677,5493,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225677,5493,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,225697,5494,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225712,5495,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225737,5496,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225737,5496,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225737,5496,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225754,5497,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225754,5497,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225754,5497,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,external,cylindrical,parallel,3,ref_2,,,,,225771,5498,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,3,ref_2,,,,,225771,5498,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,3,ref_2,,,,,225771,5498,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,225792,5499,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225792,5499,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225792,5499,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,225805,55,1
H,1,H2O,protons,,,,,ppm,4.714,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,225829,5500,1
C,13,TSP,methyl protons,,,,,ppm,-0.015,external,indirect,0.2514494921,external,cylindrical,parallel,,,,,,,225829,5500,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132905212,external,cylindrical,parallel,,,,,,,225829,5500,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225845,5501,1
H,1,dioxane,methylene protons,,,,,ppm,3.75,internal,,,,cylindrical,parallel,,,,,,,225845,5501,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225861,5502,1
H,1,dioxane,methylene,,,,,ppm,3.75,internal,,,,,,,,,,,,225861,5502,1
H,1,H2O,protons,,,,,ppm,4.69,internal,direct,1.0,,,,,,,,,,225880,5503,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225908,5504,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225908,5504,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225908,5504,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,225940,5505,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225940,5505,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225940,5505,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225966,5506,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225966,5506,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225966,5506,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,225984,5507,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,225984,5507,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,225984,5507,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226001,5508,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226001,5508,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226001,5508,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226018,5509,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226018,5509,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226018,5509,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226035,5510,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226035,5510,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226035,5510,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,226063,5511,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,226063,5511,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,226063,5511,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,226076,5512,1
H,1,TMSP,methyl protons,,,,,ppm,0.0,internal,direct,1.00000000,,,,,,,,,,226109,5513,1
N,15,TMSP,methyl protons,,,,,ppm,0.0,,indirect,0.10132914,,,,,,,,,,226109,5513,1
C,13,TMSP,methyl protons,,,,,ppm,0.0,,indirect,0.25145002,,,,,,,,,,226109,5513,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226132,5514,1
C,13,TMS,methyl protons,,,,,ppm,,external,indirect,,external,,,,,,,,,226132,5514,1
N,15,ammonia,nitrogen,,,,,ppm,,internal,indirect,,internal,,,,,,,,,226132,5514,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226159,5515,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226159,5515,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226159,5515,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226175,5516,1
H,1,H2O,protons,,,,,ppm,4.802,internal,direct,1.0,internal,spherical,,,,,,,,226175,5516,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226175,5516,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226198,5517,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226198,5517,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226198,5517,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226213,5518,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226213,5518,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226213,5518,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226237,5519,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226237,5519,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226237,5519,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226265,5520,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226265,5520,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226312,5521,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226312,5521,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226368,5522,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226368,5522,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226368,5522,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226382,5523,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,226423,5524,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,226423,5524,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,226423,5524,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144953000,internal,,,1,entry_citation,,,1,entry_citation,226424,5524,2
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,,internal,,,1,entry_citation,,,1,entry_citation,226424,5524,2
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.10132911800,internal,,,1,entry_citation,,,1,entry_citation,226424,5524,2
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,226452,5525,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,226452,5525,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,226469,5527,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226496,5528,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,226496,5528,1
H,1,TSP,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,226519,5529,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,226519,5529,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,226543,5530,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,226569,5531,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226595,5532,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226595,5532,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226595,5532,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226629,5534,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226629,5534,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226629,5534,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226647,5535,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226647,5535,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226647,5535,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,226674,5536,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226674,5536,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226674,5536,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,226701,5537,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,226701,5537,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,226701,5537,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226729,5538,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226729,5538,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226729,5538,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226744,5539,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226744,5539,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226744,5539,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,226757,554,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,226781,5540,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,226781,5540,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,226781,5540,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226808,5541,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226808,5541,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,226822,5542,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,226838,5543,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,226858,5544,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226858,5544,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226858,5544,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226874,5545,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,,,,,,,,,226874,5545,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226874,5545,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,226918,5547,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226918,5547,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,226918,5547,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,226943,5548,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,226943,5548,1
H,1,H2O,protons,,,,,ppm,4.63,internal,direct,1.0,internal,cylindrical,,,,,,,,226977,5549,1
N,15,H2O,protons,,,,,ppm,,external,indirect,,,,,,,,,,,226977,5549,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,226996,555,1
H,1,H2O,protons,,,,,ppm,4.63,internal,direct,1.0,,,,,,,,,,227018,5550,1
N,15,NH3,protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,227018,5550,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227043,5551,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,227065,5552,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,227065,5552,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,227065,5552,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227086,5553,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227086,5553,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227086,5553,1
P,31,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227086,5553,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227106,5554,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227106,5554,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227106,5554,1
H,1,DSS,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227130,5555,1
H,1,DSS,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227152,5556,1
H,1,water,hydroxyl,,,,,ppm,4.58,internal,direct,,cylindrical,,internal,,,,,,,227176,5557,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227176,5557,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227176,5557,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227200,5558,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227200,5558,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227200,5558,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.2514495,internal,cylindrical,parallel,,,,,,,227226,5559,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,227226,5559,1
H,,CD3COOH,residual CD2H,,,,,ppm,2.03,,,,,,,1,entry_citation,,,1,entry_citation,227239,556,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,227264,5560,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227264,5560,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227264,5560,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,,,,,,,227287,5561,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227287,5561,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,227303,5562,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227318,5563,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,227318,5563,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227318,5563,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227346,5564,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227346,5564,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227346,5564,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227360,5565,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227360,5565,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227360,5565,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.0,external,cylindrical,perpendicular,1,entry_citation,,,1,entry_citation,227373,5566,1
H,1,TSP,methyl proton,,,,,ppm,0.00,external,indirect,1.0,external,cylindrical,perpendicular,,,,,,,227386,5567,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,227412,5568,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,227412,5568,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,227412,5568,1
N,15,GB1,amide,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,227440,5569,1
H,,CD3COOH,residual CD2H,,,,,ppm,2.03,,,,,,,1,entry_citation,,,1,entry_citation,227542,557,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,227568,5570,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227568,5570,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227568,5570,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,227592,5571,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227592,5571,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227592,5571,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227605,5572,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227605,5572,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227605,5572,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227618,5573,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227618,5573,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227618,5573,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,,,,,,,227634,5574,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,spherical,perpendicular,1,entry_citation,,,1,entry_citation,227652,5575,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227674,5576,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227674,5576,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,227674,5576,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,227694,5577,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,227694,5577,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,227694,5577,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,227723,5578,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25145000,external,cylindrical,parallel,,,,,,,227723,5578,1
N,15,ammonium chloride,ammonium nitrogen,,,,,ppm,0.00,external,direct,0.10132900,external,cylindrical,parallel,,,,,,,227723,5578,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,227752,5579,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.25145000,external,cylindrical,parallel,,,,,,,227752,5579,1
N,15,ammonium chloride,ammonium nitrogen,,,,,ppm,0.00,external,direct,0.10132900,external,cylindrical,parallel,,,,,,,227752,5579,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,227765,558,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227787,5580,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227809,5581,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227831,5582,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227851,5583,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227876,5584,1
H,1,TMS,methyl protons,,,,,ppm,0.0,external,indirect,,external_to_the_sample,cylindrical,parallel_to_Bo,,,,,,,227877,5584,2
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227897,5585,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,227917,5586,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,227937,5587,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,227957,5588,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,227996,5589,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,227996,5589,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,227996,5589,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228035,5590,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228035,5590,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228035,5590,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,228064,5591,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228064,5591,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,228064,5591,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,,,1,entry_citation,,,1,entry_citation,228088,5592,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,external,,,1,entry_citation,,,1,entry_citation,228088,5592,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,external,,,1,entry_citation,,,1,entry_citation,228088,5592,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,external,,,,,,,,,228106,5593,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,,,,,,,,,228106,5593,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,external,,,,,,,,,228106,5593,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,228139,5594,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,228139,5594,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,228139,5594,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228168,5595,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228168,5595,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228168,5595,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228242,5596,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228242,5596,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228242,5596,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,228266,5597,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,228266,5597,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228280,5598,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228280,5598,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228280,5598,1
H,1,DSS,methyl,,,,,ppm,0.00,external,direct,1,external_to_the_sample,cylindrical,parallel_to_Bo,,,temperature,0.052,,,228314,5599,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,228327,560,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,228359,5600,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228359,5600,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228359,5600,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,228394,5601,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,228394,5601,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,228394,5601,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228412,5602,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228412,5602,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228412,5602,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228442,5603,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228442,5603,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228442,5603,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228467,5604,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228467,5604,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228504,5605,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228504,5605,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228504,5605,1
H,1,H2O,protons,,,,,ppm,4.75,,,1.0,,,,1,HI0719_paper,,,1,HI0719_paper,228521,5606,1
N,15,H2O,protons,,,,,ppm,,,,,,,,1,HI0719_paper,,,1,HI0719_paper,228521,5606,1
C,13,H2O,protons,,,,,ppm,,,,,,,,1,HI0719_paper,,,1,HI0719_paper,228521,5606,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228546,5607,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228546,5607,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228573,5608,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228573,5608,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228573,5608,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228588,5609,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,228601,561,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228622,5610,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228622,5610,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228622,5610,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228639,5611,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228639,5611,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228639,5611,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228677,5613,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,228696,5614,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228714,5615,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228714,5615,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228714,5615,1
H,1,H2O,protons,,,,,ppm,4.81,internal,direct,1.0,,,,,,,,,,228741,5616,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,228741,5616,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,228741,5616,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,228758,5617,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228777,5618,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228777,5618,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228777,5618,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,228801,5619,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228801,5619,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228801,5619,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,228814,562,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,228851,5620,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,228851,5620,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,228851,5620,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,228877,5621,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228877,5621,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228877,5621,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228898,5622,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228898,5622,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,228898,5622,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,228927,5623,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228927,5623,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228927,5623,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,228952,5624,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,228952,5624,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,228952,5624,1
H,1,H2O,protons,,,,,ppm,4.7,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,228973,5625,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229001,5626,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229001,5626,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229001,5626,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,229035,5627,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229035,5627,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229035,5627,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229053,5628,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229053,5628,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229053,5628,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,229105,5629,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229105,5629,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229105,5629,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,229118,563,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229133,5630,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229133,5630,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229133,5630,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,229162,5631,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,229162,5631,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,229162,5631,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229186,5632,1
H,1,H20,protons,,,,,ppm,,internal,direct,1.0,internal,,,,,,,,,229186,5632,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229186,5632,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229203,5633,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229203,5633,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229203,5633,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229218,5634,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229218,5634,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229232,5635,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229232,5635,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229246,5636,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229246,5636,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229260,5637,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229260,5637,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229274,5638,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229274,5638,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229288,5639,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229288,5639,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229302,5640,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229302,5640,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229316,5641,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229316,5641,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229330,5642,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229330,5642,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229344,5643,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229344,5643,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229358,5644,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229358,5644,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229372,5645,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229372,5645,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229386,5646,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229386,5646,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229400,5647,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,236624,5968,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229400,5647,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229414,5648,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229414,5648,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,229428,5649,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229428,5649,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,229467,5650,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229467,5650,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229467,5650,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,229467,5650,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229482,5651,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229482,5651,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229500,5652,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229529,5653,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229529,5653,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229529,5653,1
C,13,TSP,methyl protons,,,,,ppm,,,indirect,,,,,,,,,,,229556,5654,1
H,1,,methyl protons,,,,,ppm,,,,,,,,,,,,,,229556,5654,1
N,15,TSP,methyl protons,,,,,ppm,,,indirect,,,,,,,,,,,229556,5654,1
C,13,TSP,methyl protons,,,,,ppm,0,,,0.251449530,,indirect,,1,entry_citation,,,1,entry_citation,229574,5655,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,229574,5655,1
N,15,TSP,methyl protons,,,,,ppm,0,,,0.101329118,,indirect,,1,entry_citation,,,1,entry_citation,229574,5655,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,,1.0,,,,,,,,,,229594,5656,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.25144953,,,,,,,,,,229594,5656,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,229594,5656,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229608,5657,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229608,5657,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229608,5657,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,229632,5658,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229632,5658,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229632,5658,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,229632,5658,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,229655,5659,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,,,,,,,229655,5659,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.10132900,,,,,,,,,,229655,5659,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229678,5660,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,229708,5661,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,229708,5661,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,229708,5661,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,229721,5662,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,229721,5662,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,229721,5662,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,229734,5663,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,229734,5663,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,229734,5663,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229756,5664,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229781,5665,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229781,5665,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229781,5665,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229795,5666,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,229795,5666,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229795,5666,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,229819,5667,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,229859,5668,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,229859,5668,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,229859,5668,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,229890,5669,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229890,5669,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,229890,5669,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,229919,5670,1
P,31,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,229944,5671,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,229968,5672,1
H,1,H2O,protons,,,,,ppm,4.63,internal,,1.0,,,,1,entry_citation,,,1,entry_citation,229991,5673,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,,,,,,,,230012,5674,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,,,,,,,,230029,5675,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230046,5676,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,,,,,,,,230063,5677,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,230078,5678,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,230078,5678,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,230078,5678,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,230109,5679,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230109,5679,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230109,5679,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,230122,568,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,,,,,,,230147,5680,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230147,5680,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230147,5680,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230167,5681,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,230167,5681,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,230186,5682,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230186,5682,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230186,5682,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230201,5683,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230201,5683,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230201,5683,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,230201,5683,1
H,1,,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,230221,5684,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230249,5685,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230249,5685,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230249,5685,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,1.000000000,,,,,,,,230275,5686,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,,,0.251449530,,,,,,,,230275,5686,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,,,0.101329118,,,,,,,,230275,5686,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230299,5687,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230299,5687,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230299,5687,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230329,5688,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230329,5688,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230329,5688,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230349,5689,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230349,5689,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230349,5689,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,230362,569,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230382,5690,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230382,5690,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230382,5690,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230443,5691,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230443,5691,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230443,5691,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,230466,5692,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,230466,5692,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,230466,5692,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230491,5693,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230504,5694,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,230528,5695,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,230528,5695,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,230528,5695,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230559,5696,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230559,5696,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230559,5696,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230579,5697,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230579,5697,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230606,5698,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230606,5698,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230624,5699,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230643,5700,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230643,5700,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,230643,5700,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230643,5700,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,230679,5701,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230679,5701,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230679,5701,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230698,5702,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230698,5702,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230698,5702,1
C,13,TSP,methyl protons,,,,,ppm,0,,,0.251449530,,indirect,,1,entry_citation,,,1,entry_citation,230720,5703,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,indirect,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,230720,5703,1
N,15,TSP,methyl protons,,,,,ppm,0,,,0.101329118,,indirect,,1,entry_citation,,,1,entry_citation,230720,5703,1
P,31,DSS,methyl protons,,,,,ppm,0,external,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,230720,5703,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,230740,5704,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,230740,5704,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,230740,5704,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259713,7182,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,230756,5705,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230756,5705,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,230756,5705,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,230756,5705,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,230783,5706,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230783,5706,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230783,5706,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230802,5707,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230802,5707,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230802,5707,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230830,5708,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230851,5709,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230851,5709,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230851,5709,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230865,5710,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230865,5710,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230865,5710,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230895,5711,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,230895,5711,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230895,5711,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,230917,5712,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,230917,5712,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,230917,5712,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,230930,5713,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,230930,5713,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,230930,5713,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,230946,5714,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,230990,5716,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231009,5717,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231027,5718,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,231041,5719,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,231041,5719,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,231041,5719,1
H,1,H2O,protons,,,,,ppm,4.725,,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,231056,5720,1
N,15,NH3,nitrogen,,,,,ppm,117.5,,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,231056,5720,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231077,5721,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,231077,5721,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,231077,5721,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231094,5722,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,231094,5722,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,231094,5722,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231117,5723,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231117,5723,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231117,5723,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231140,5724,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231140,5724,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231140,5724,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231161,5725,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231161,5725,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231161,5725,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231185,5726,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231185,5726,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231185,5726,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231208,5727,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231208,5727,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231208,5727,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231231,5728,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231231,5728,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231231,5728,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231246,5729,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231246,5729,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231246,5729,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,231259,573,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231283,5730,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231303,5731,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231324,5732,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231342,5733,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231360,5734,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231374,5735,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231391,5736,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,231391,5736,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,231391,5736,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,231407,5737,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,231432,5738,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,231432,5738,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,231432,5738,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,231460,5739,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,231485,5740,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,231485,5740,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,231485,5740,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,231508,5741,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,231508,5741,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,231508,5741,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231540,5742,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231540,5742,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231540,5742,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231559,5743,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231559,5743,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231559,5743,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231579,5744,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231579,5744,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231579,5744,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231606,5745,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,231606,5745,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,231606,5745,1
H,1,H2O,protons,,,,,ppm,4.725,,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,231627,5746,1
N,15,NH3,nitrogen,,,,,ppm,117.5,,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,231627,5746,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231651,5747,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231665,5748,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231665,5748,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231665,5748,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231681,5749,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,231696,5750,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231696,5750,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231696,5750,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,231710,5751,1
N,15,NH3,nitrogen,,,,,ppm,0,,indirect,,,,,,,,,,,231710,5751,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,231732,5752,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,231732,5752,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,231732,5752,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231754,5753,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231754,5753,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231754,5753,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,231754,5753,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,231754,5753,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,231774,5754,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231774,5754,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231774,5754,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231798,5755,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231798,5755,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231798,5755,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,231798,5755,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231828,5756,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231828,5756,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231828,5756,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,external_to_the_sample,,,,,,,,,231847,5757,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231847,5757,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231847,5757,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231872,5758,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231872,5758,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231872,5758,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231889,5759,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231889,5759,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231889,5759,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,231908,5760,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,,,,,,,231908,5760,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,231908,5760,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231930,5761,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231930,5761,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231930,5761,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231945,5762,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,231945,5762,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231945,5762,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,231970,5763,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,231970,5763,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,231970,5763,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232010,5764,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232010,5764,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232010,5764,1
H,1,water,methyl protons,,,,,ppm,4.7,internal,direct,0.1,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,232023,5765,1
H,1,DSS,methl,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232043,5766,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,232043,5766,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,232043,5766,1
H,1,TSP,,,,,,ppm,,internal,,1.0,,,,,,,,,,232062,5767,1
H,1,TMS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,perpendicular,1,entry_citation,,,1,entry_citation,232087,5768,1
N,15,TMS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132912,,,,1,entry_citation,,,1,entry_citation,232087,5768,1
H,1,TMS,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,perpendicular,,,,,,,232109,5769,1
N,15,TMS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132912,,,,,,,,,,232109,5769,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,external,,parallel,1,entry_citation,,,1,entry_citation,232138,5770,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.2514556137,external,,parallel,1,entry_citation,,,1,entry_citation,232138,5770,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.1013403477,external,,parallel,1,entry_citation,,,1,entry_citation,232138,5770,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232153,5771,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232153,5771,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,232176,5772,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232176,5772,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232176,5772,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,232199,5773,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,232199,5773,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,232199,5773,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232222,5774,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232222,5774,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232222,5774,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,232241,5775,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,232241,5775,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,232263,5776,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,232285,5777,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,232303,5778,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232303,5778,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232303,5778,1
H,1,H2O,protons,,,,,ppm,4.78,internal,direct,1.000000000,,,,,,,,,,232331,5779,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232331,5779,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232331,5779,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,232351,5780,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,232371,5781,1
H,1,Dioxane,methylene protons,,,,,ppm,3.53,internal,direct,1.0,,,,,,,,,,232389,5782,1
H,1,Dioxane,methylene protons,,,,,ppm,3.53,internal,direct,1.0,,,,,,,,,,232406,5783,1
H,1,Dioxane,methylene protons,,,,,ppm,3.53,internal,direct,1.0,,,,,,,,,,232422,5784,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,232444,5785,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232444,5785,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232444,5785,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232464,5786,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232464,5786,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232464,5786,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,232485,5787,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,232485,5787,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,232485,5787,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232515,5788,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232515,5788,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232515,5788,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232543,5789,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232543,5789,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232543,5789,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232569,5790,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232569,5790,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232569,5790,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,232588,5791,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,232588,5791,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,232588,5791,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,232611,5792,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232611,5792,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232611,5792,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232633,5793,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,232633,5793,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232633,5793,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232659,5794,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232659,5794,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232659,5794,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,232677,5795,1
H,1,H2O,protons,,,,,ppm,4.73,internal,direct,1.000000000,internal,,,,,,,,,232705,5796,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232705,5796,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232705,5796,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232719,5797,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232719,5797,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232719,5797,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232741,5798,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,direct,0.251449530,,,,,,,,,,232741,5798,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,direct,0.101329118,,,,,,,,,,232741,5798,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,232767,5799,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232767,5799,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232767,5799,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,232780,58,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232808,5800,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,232808,5800,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232808,5800,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,232830,5801,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,232830,5801,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,232858,5802,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,232858,5802,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,232858,5802,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,232882,5803,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,232905,5804,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.000000000,,,,,,,,,,232931,5805,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232931,5805,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,232931,5805,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,232931,5805,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232951,5806,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,232966,5807,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,232966,5807,1
H,1,DSS,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,232989,5808,1
C,13,DSS,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,232989,5808,1
N,15,DSS,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,232989,5808,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233012,5809,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233037,5810,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233037,5810,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233037,5810,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233055,5811,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233069,5812,1
C,13,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,233099,5813,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,233099,5813,1
N,15,TMS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,233099,5813,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233129,5814,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233129,5814,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233129,5814,1
N,15,AMS,ammonium,,,,,ppm,26.8,external,direct,,external_to_the_sample,cylindrical,perpendicular_to_Bo,,,,,,,233148,5815,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233176,5816,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233176,5816,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233176,5816,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233198,5817,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233198,5817,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233198,5817,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,233254,5819,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233254,5819,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233254,5819,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233268,5820,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,233268,5820,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,233268,5820,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,,,,,,,233283,5821,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233283,5821,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,,,,,,,233283,5821,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233308,5822,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,,,,,,,233308,5822,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,,,,,,,233308,5822,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,,,,,,,233323,5823,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233323,5823,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,,,,,,,233323,5823,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,233349,5824,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233349,5824,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233349,5824,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,233366,5825,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233366,5825,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233366,5825,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233379,5826,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,233379,5826,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233379,5826,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233400,5827,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,233400,5827,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,233400,5827,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233421,5828,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,233421,5828,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,233421,5828,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233438,5829,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,233438,5829,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233454,5830,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,233454,5830,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233469,5832,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233484,5833,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233484,5833,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233484,5833,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233507,5834,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233507,5834,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233507,5834,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,233537,5836,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233537,5836,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,233537,5836,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233560,5837,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233585,5838,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,,,,,,,233585,5838,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,,,,,,,233585,5838,1
H,1,trifluroethanol,methyl protons,,,,,ppm,3.918,internal,direct,,internal,spherical,perpendicular,,,,,,,233626,5840,1
C,13,trifluroethanol,methyl carbon,,,,,ppm,60.975,internal,direct,,internal,spherical,perpendicular,,,,,,,233626,5840,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233627,5840,2
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233627,5840,2
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233696,5842,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233696,5842,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233696,5842,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233725,5843,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,233725,5843,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,233725,5843,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,external,cylindrical,parallel,3,ref-2,,,,,233778,5844,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,3,ref-2,,,,,233778,5844,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,3,ref-2,,,,,233778,5844,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,233809,5845,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,233809,5845,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,233809,5845,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,233835,5846,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233835,5846,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233835,5846,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,233865,5847,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233865,5847,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233865,5847,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233883,5848,1
H,1,water,,,,,,ppm,4.773,internal,direct,1.000000000,internal,,,,,,,,,233904,5849,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233904,5849,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233904,5849,1
H,1,DSS,methyl,,,,,ppm,0.00,direct,direct,1,External,Cylindrical,Parallel,,,,,,,233926,5850,1
N,15,DSS,methyl,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,233926,5850,1
C,13,DSS,methyl,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,233926,5850,1
H,1,TSP,methyl protons,,,,,ppm,0.0,,,1.0,,,,1,entry_citation,,,1,entry_citation,233950,5851,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,,,,,,1,entry_citation,,,1,entry_citation,233950,5851,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,233990,5852,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,233990,5852,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,233990,5852,1
C,13,H2O,protons,,,,,ppm,4.534,internal,indirect,0.25144952,internal,spherical,parallel,,,,,,,234009,5853,1
H,1,H2O,protons,,,,,ppm,4.534,internal,direct,1.0,internal,spherical,parallel,,,,,,,234009,5853,1
N,15,H2O,protons,,,,,ppm,4.534,internal,indirect,0.10132905,internal,spherical,parallel,,,,,,,234009,5853,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.00000000,external,cylindrical,,,,,,,,234043,5854,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.25144954,,,,,,,,,,234043,5854,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.10132900,,,,,,,,,,234043,5854,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,2,reference_1,,,,,234062,5856,1
H,1,H2O,protons,,,,,ppm,4.76,internal,direct,1.0,,,,2,reference_1,,,,,234062,5856,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329150,,,,2,reference_1,,,,,234062,5856,1
C,13,DSS,methyl of DSS,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,234091,5857,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234091,5857,1
N,15,DSS,methyl of DSS,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,234091,5857,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,234121,5858,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,234121,5858,1
H,1,CD3OH,methyl protons,,,,,ppm,3.313,internal,direct,1.0,external,cylindrical,parallel,3,ref_2,,,,,234187,5859,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,cylindrical,parallel,3,ref_2,,,,,234187,5859,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,cylindrical,parallel,3,ref_2,,,,,234187,5859,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234205,5860,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234205,5860,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234205,5860,1
H,1,DSS,methyl,,,,,ppm,0.00,external,indirect,1,external,,parallel,,,,,,,234227,5861,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234227,5861,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234227,5861,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234248,5862,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234248,5862,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234248,5862,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234291,5863,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234291,5863,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234291,5863,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234307,5864,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,234326,5865,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,234354,5866,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,234354,5866,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,234354,5866,1
C,13,water,,,,,,ppm,,external,indirect,,external,,,,,,,,,234375,5867,1
H,1,water,,,,,,ppm,4.773,internal,direct,,internal,,,,,,,,,234375,5867,1
N,15,water,,,,,,ppm,,external,indirect,,external,,,,,,,,,234375,5867,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,,0.251449530,,,,,,,,,,234395,5868,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,234395,5868,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,,0.101329118,,,,,,,,,,234395,5868,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,234414,5869,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,234435,5870,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234448,5871,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234448,5871,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234448,5871,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,,1.0,,,,,,,,,,234467,5872,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,,0.101329118,,,,,,,,,,234467,5872,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,,0.251449530,,,,,,,,,,234467,5872,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,234493,5873,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234493,5873,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234493,5873,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234517,5874,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234517,5874,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234517,5874,1
C,13,H2O,protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234554,5875,1
H,1,H2O,protons,,,,,ppm,4.780,internal,direct,1.0,,,,,,,,,,234554,5875,1
N,15,H2O,protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234554,5875,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234578,5876,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234578,5876,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234578,5876,1
N,15,ammonium sulfate,ammonium ion,,,,,ppm,26.8,external,direct,1.0,external,cylindrical,perpendicular,,,,,,,234600,5877,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234634,5878,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234634,5878,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234634,5878,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234652,5879,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,234652,5879,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234652,5879,1
C,13,water,protons,,,,,ppm,,external,indirect,,external,,,,,,,,,234673,5880,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,internal,,,,,,,,,234673,5880,1
N,15,water,ptotons,,,,,ppm,,external,indirect,,external,,,,,,,,,234673,5880,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234689,5881,1
H,1,dioxane,methylene protons,,,,,ppm,3.750,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,234715,5882,1
C,13,dioxane,methylene protons,,,,,ppm,,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,234715,5882,1
N,15,dioxane,methylene protons,,,,,ppm,,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,234715,5882,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234735,5883,1
H,1,H2O,protons,,,,,ppm,4.725,internal,direct,,,,,,,1.0,,,,234752,5884,1
N,15,H2O,protons,,,,,ppm,0.0,,indirect,,,,,,,0.101329118,,,,234752,5884,1
C,13,H2O,protons,,,,,ppm,0.0,,indirect,,,,,,,0.251449530,,,,234752,5884,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,234783,5885,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234783,5885,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234783,5885,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,234807,5886,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234807,5886,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234807,5886,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234839,5887,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234839,5887,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234839,5887,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234864,5888,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234864,5888,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234864,5888,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234882,5889,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234905,5890,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,234937,5891,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234937,5891,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234937,5891,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234954,5892,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234954,5892,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234954,5892,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,234977,5893,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,234977,5893,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,234977,5893,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235010,5894,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235010,5894,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235010,5894,1
H,1,TSP,methyl,,,,,ppm,0.0,external,direct,1,external,,,1,entry_citation,,,1,entry_citation,235039,5895,1
C,13,TSP,methyl,,,,,ppm,0.0,external,indirect,0.25144953,external,,,1,entry_citation,,,1,entry_citation,235039,5895,1
N,15,TSP,methyl,,,,,ppm,0.0,external,indirect,0.10132909,external,,,1,entry_citation,,,1,entry_citation,235039,5895,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235061,5896,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235061,5896,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235061,5896,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,235074,5897,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,235074,5897,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,235074,5897,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,235094,5898,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,235094,5898,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,235094,5898,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,235113,5899,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235113,5899,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235113,5899,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,235130,5900,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,235130,5900,1
H,1,H20,secondary protons,,,,,ppm,4.83,internal,direct,,,,,1,entry_citation,,,1,entry_citation,235162,5901,1
N,15,NH4Cl3,,,,,,ppm,0.0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,235162,5901,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235195,5902,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235195,5902,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235195,5902,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449500,,,,,,,,,,235208,5903,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,,1.0,,,,,,,,,,235208,5903,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329051,,,,,,,,,,235208,5903,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235231,5904,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235231,5904,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235231,5904,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,235267,5905,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235267,5905,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235280,5906,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235280,5906,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235280,5906,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,235301,5907,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,235301,5907,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,235301,5907,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235337,5908,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235337,5908,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,235362,5909,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235362,5909,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,235387,5910,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235387,5910,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,,,,,,,,,,,,,235408,5911,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,,,,,,,,,,,235408,5911,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235431,5912,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235431,5912,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235431,5912,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235471,5914,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,235492,5915,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235515,5916,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235531,5917,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235531,5917,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235531,5917,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235551,5918,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,,,,,,,,,,235551,5918,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235551,5918,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,external,cylindrical,parallel,,,,,,,235582,5919,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,235582,5919,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,external,cylindrical,parallel,,,,,,,235582,5919,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235597,5920,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235597,5920,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235597,5920,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235613,5921,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235613,5921,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235613,5921,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,235632,5922,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235648,5923,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235648,5923,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235648,5923,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,external,cylindrical,parallel,,,,,,,235678,5924,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235678,5924,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235678,5924,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235694,5925,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235694,5925,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235694,5925,1
H,1,H2O,protons,,,,,ppm,4.78,internal,direct,1,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,235731,5927,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,235762,5928,1
H,1,H2O,protons,,,,,ppm,4.700,internal,direct,1.0,,,,,,,,,,235762,5928,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,235762,5928,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,235793,5929,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235793,5929,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235793,5929,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,235809,5930,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,235809,5930,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,235809,5930,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,235838,5931,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,235838,5931,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,235838,5931,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235870,5932,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235870,5932,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,235870,5932,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235870,5932,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,235870,5932,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235898,5933,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329,,,,,,,,,,235898,5933,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449,,,,,,,,,,235898,5933,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235913,5934,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235913,5934,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235936,5935,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235936,5935,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235936,5935,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,235952,5936,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,235952,5936,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,235952,5936,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,235981,5937,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,235981,5937,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,235981,5937,1
H,1,DSS,methyl,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel,,,,,,,235998,5938,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236032,5939,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236032,5939,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236032,5939,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236046,5940,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236046,5940,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236046,5940,1
H,1,H2O,H,,,,,ppm,4.60,internal,direct,1.0,internal,spherical,parallel,,,,,,,236063,5941,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236077,5942,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,236077,5942,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236077,5942,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236100,5943,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236100,5943,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236100,5943,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236135,5944,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236135,5944,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236135,5944,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236169,5945,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236169,5945,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236169,5945,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236184,5946,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236184,5946,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236184,5946,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236210,5947,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236210,5947,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236210,5947,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,236235,5948,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236235,5948,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,236260,5949,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236260,5949,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,236273,595,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236286,5950,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236286,5950,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236286,5950,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,,,,,,,,,236301,5951,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236301,5951,1
C,13,H2O,protons,,,,,ppm,,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236314,5952,1
H,1,H2O,protons,,,,,ppm,4.67,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236314,5952,1
N,15,H2O,protons,,,,,ppm,,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236314,5952,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,,,,,,,236342,5953,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236342,5953,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236342,5953,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,236367,5954,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236367,5954,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236367,5954,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236393,5955,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236393,5955,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236393,5955,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,236408,5956,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,236408,5956,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,236408,5956,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236431,5958,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236431,5958,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236431,5958,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236449,5959,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236449,5959,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236449,5959,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,236462,596,1
H,1,water,proton,,,,,ppm,4.677408,internal,direct,1.0,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,236479,5960,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236479,5960,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236479,5960,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236499,5961,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132905,,,,,,,,,,236499,5961,1
C,13,TSP,methyl,,,,,ppm,0.00,internal,indirect,0.251449530,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,236516,5962,1
H,1,TSP,methyl,,,,,ppm,0.00,internal,indirect,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,236516,5962,1
N,15,TSP,methyl,,,,,ppm,0.00,internal,indirect,0.101329118,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,236516,5962,1
C,13,H2O,protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236531,5963,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,236531,5963,1
N,15,H2O,protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236531,5963,1
H,1,dioxane,methylene,,,,,0.00,3.75,internal,direct,,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,236546,5964,1
H,1,dioxane,methylene,,,,,0.00,3.75,internal,direct,,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,236561,5965,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236576,5966,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236641,5969,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236641,5969,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236641,5969,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,236655,597,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,,,,,,,236684,5970,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236684,5970,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236684,5970,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236711,5971,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236711,5971,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236711,5971,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236731,5972,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236755,5973,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236755,5973,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236755,5973,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236768,5974,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236768,5974,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236768,5974,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,236793,5975,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236793,5975,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236793,5975,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236808,5976,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236808,5976,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236808,5976,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,236829,5977,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236829,5977,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236829,5977,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236851,5978,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236851,5978,1
H,1,DSS,methyl protons,,,,,ppm,,,,1.0,,,,1,entry_citation,,,1,entry_citation,236871,5979,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,236885,598,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,1,internal,spherical,parallel,,,,,,,236905,5980,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236948,5981,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236948,5981,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236948,5981,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,236963,5982,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,236963,5982,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,236963,5982,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,236994,5983,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,236994,5983,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,236994,5983,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237018,5984,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237018,5984,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237035,5985,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237052,5986,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,237081,5987,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,237081,5987,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,237081,5987,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237099,5988,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237119,5989,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,237134,599,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237172,5991,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237172,5991,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237172,5991,1
H,1,H2O,protons,,,,,ppm,4.68,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,237203,5992,1
N,15,NH3,nitrogen,,,,,ppm,0.0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,237203,5992,1
C,13,TMS,carbons,,,,,ppm,67.8,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,237203,5992,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,237224,5993,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237242,5994,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237265,5995,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237265,5995,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237314,5996,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237314,5996,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237367,5997,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237367,5997,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237367,5997,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,237398,5998,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237398,5998,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237398,5998,1
H,1,H2O,protons,,,,,ppm,4.79,internal,direct,1.0,internal,cylindrical,parallel,,,"temperature, salt, pH",,,,237428,5999,1
C,13,H2O,protons,,,,,ppm,4.79,external,indirect,0.251449530,,,,,,,,,,237428,5999,1
N,15,H2O,protons,,,,,ppm,4.79,external,indirect,0.101329118,,,,,,,,,,237428,5999,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,237439,6,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,237452,60,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,237465,600,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,237481,6000,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,237481,6000,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,237481,6000,1
H,1,H2O,protons,,,,,ppm,4.766,internal,direct,1.000000000,internal,,,,,,,,,237500,6001,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237500,6001,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237500,6001,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237536,6002,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237536,6002,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237536,6002,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal,,parallel,,,,,,,237561,6003,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,,parallel,,,,,,,237561,6003,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,,parallel,,,,,,,237561,6003,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237587,6004,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237587,6004,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237587,6004,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,,,,,,,237617,6005,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,,,,,,,237617,6005,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,,,,,,,237617,6005,1
H,1,TMS,methyl protons,,,,,ppm,0.00,internal,direct,,internal,spherical,parallel,,,,,,,237635,6006,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237650,6007,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237650,6007,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237650,6007,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237666,6008,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237666,6008,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237666,6008,1
H,1,HDO,protons,,,,,ppm,4.875,internal,direct,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,237688,6009,1
P,31,H3PO4,phosphorus,,,,,ppm,,external,indirect,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,237688,6009,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,237712,6010,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237712,6010,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237712,6010,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,237730,6011,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,237730,6011,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,237730,6011,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,237749,6012,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,237749,6012,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,237749,6012,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,237766,6013,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,237766,6013,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,237766,6013,1
H,1,H2O,protons,,,,,ppm,4.76,,direct,1.0,internal,,,1,entry_citation,,,1,entry_citation,237792,6014,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,237792,6014,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,237792,6014,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237819,6015,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237819,6015,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237819,6015,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,237842,6016,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,237842,6016,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,237842,6016,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237858,6017,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237872,6018,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237888,6019,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237888,6019,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237888,6019,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237905,6020,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237924,6021,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237924,6021,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237924,6021,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237946,6022,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237946,6022,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,237972,6023,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,237972,6023,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,237972,6023,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,237991,6024,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,237991,6024,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,237991,6024,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,1,entry_citation,,,1,entry_citation,237991,6024,1
C,13,DSS,methyl proton,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,238023,6025,1
H,1,DSS,methyl proton,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,238023,6025,1
N,15,DSS,methyl proton,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,238023,6025,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,238056,6026,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238056,6026,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238056,6026,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.0,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,238082,6027,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238110,6028,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238110,6028,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238110,6028,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238136,6029,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238136,6029,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238136,6029,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,238155,6030,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238155,6030,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238155,6030,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,,,,,,,238175,6031,1
H,1,HDO,H,,,,,ppm,4.765,internal,indirect,,internal,cylindrical,parallel,,,,,,,238175,6031,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,,,,,,,238175,6031,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238204,6032,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238204,6032,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,238204,6032,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238204,6032,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,238204,6032,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,238223,6033,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238223,6033,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238240,6034,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238240,6034,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238240,6034,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,238275,6035,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238275,6035,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238275,6035,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,238292,6037,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,,,,,,,238311,6038,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,238334,6039,1
H,1,TMS,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,238334,6039,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,238354,6040,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,,,,,,,,,,,,238354,6040,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,238371,6041,1
H,1,TSP,methyl protons,,,,,ppm,-0.015,internal,,1.000000000,internal,,,1,entry_citation,,,1,entry_citation,238415,6043,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238415,6043,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238415,6043,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238429,6044,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238429,6044,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238429,6044,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238446,6045,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238446,6045,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238446,6045,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238460,6046,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,238460,6046,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238460,6046,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,238477,6047,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238477,6047,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238477,6047,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238499,6048,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,238526,6049,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238526,6049,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238526,6049,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238547,6050,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238571,6051,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238571,6051,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238571,6051,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238594,6052,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238594,6052,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238594,6052,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,238615,6053,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238615,6053,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238615,6053,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238631,6054,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238631,6054,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238631,6054,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,238664,6055,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238664,6055,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238664,6055,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238688,6056,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238705,6057,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238705,6057,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238705,6057,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238729,6058,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238729,6058,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238729,6058,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,238752,6059,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238752,6059,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238752,6059,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,238767,606,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,238785,6060,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,238785,6060,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,238785,6060,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238814,6061,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238814,6061,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238814,6061,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238833,6062,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238833,6062,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238833,6062,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,238833,6062,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,238851,6063,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,238869,6064,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238885,6066,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,238901,6067,1
H,1,HDO,protons,,,,,ppm,4.72,,,1.0,,,,1,entry_citation,,,1,entry_citation,238927,6068,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,238948,6069,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238948,6069,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238948,6069,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,238963,6070,1
H,1,H2O,protons,,,,,ppm,4.792,internal,direct,1.0,internal,spherical,parallel,,,,,,,238996,6071,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,238996,6071,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,238996,6071,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239010,6072,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,239047,6073,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239047,6073,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239047,6073,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,239065,6074,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239065,6074,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239065,6074,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.0,internal,cylindrical,parallel,,,,,,,239086,6075,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,239086,6075,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,239086,6075,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239114,6076,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239114,6076,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239114,6076,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239140,6077,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239140,6077,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239153,6078,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,239153,6078,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239153,6078,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239166,6079,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239166,6079,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239166,6079,1
C,13,water,protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,239184,6080,1
H,1,water,protons,,,,,ppm,4.667,internal,direct,1.0,internal,cylindrical,parallel,,,temperature,,,,239184,6080,1
N,15,water,protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,239184,6080,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239214,6081,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239214,6081,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239214,6081,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239229,6082,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,239242,6083,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239255,6084,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239274,6085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239274,6085,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239274,6085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,239299,6086,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239299,6086,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239299,6086,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,239320,6087,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239320,6087,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,239338,6088,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,,,,,,,,,239352,6089,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239376,6090,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239376,6090,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239376,6090,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239396,6091,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239396,6091,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239396,6091,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239413,6092,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239413,6092,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239413,6092,1
C,13,water,protons,,,,,ppm,4.75,external,indirect,0.251449530,,,,,,,,,,239439,6093,1
H,1,water,protons,,,,,ppm,4.75,external,indirect,1,external,cylindrical,parallel,,,,,,,239439,6093,1
N,15,water,protons,,,,,ppm,4.75,external,indirect,0.101329118,,,,,,,,,,239439,6093,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239461,6094,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,239461,6094,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239461,6094,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239477,6095,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,,,,,,,239477,6095,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,,,,,,,239477,6095,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239508,6096,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239508,6096,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239508,6096,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239528,6097,1
H,1,H2O,protons,,,,,ppm,4.7,internal,direct,1.0,internal,,,,,temperature,,,,239549,6098,1
N,15,H2O,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,temperature,,,,239549,6098,1
C,13,H2O,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,temperature,,,,239549,6098,1
C,13,H2O,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,1,entry_citation,temperature,,1,entry_citation,239570,6099,1
H,1,H2O,protons,,,,,ppm,4.7,internal,direct,1.000000000,internal,,,1,entry_citation,temperature,,1,entry_citation,239570,6099,1
N,15,H2O,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,1,entry_citation,temperature,,1,entry_citation,239570,6099,1
C,13,TSP,methyl carbon,,,,,ppm,0.00,external,direct,1.0,,cylindrical,parallel,1,entry_citation,,,1,entry_citation,239588,6100,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,cylindrical,parallel,1,entry_citation,,,1,entry_citation,239588,6100,1
N,15,liquid ammonia,nitrogen,,,,,ppm,0.00,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,239588,6100,1
C,13,TMS,,,,,,ppm,,,,,,,,,,,,,,239606,6101,1
H,1,TMS,,,,,,ppm,,,,,,,,,,,,,,239606,6101,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239626,6102,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239626,6102,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239626,6102,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,1,entry_citation,,,1,entry_citation,239646,6103,1
N,15,DSS,methyl protons,,,,,ppm,,,,0.25,,,,1,entry_citation,,,1,entry_citation,239646,6103,1
C,13,DSS,methyl protons,,,,,ppm,,,,0.10,,,,1,entry_citation,,,1,entry_citation,239646,6103,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,1,entry_citation,,,1,entry_citation,239670,6104,1
N,15,DSS,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,239670,6104,1
C,13,DSS,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,239670,6104,1
C,13,TMS,,,,,,ppm,,,,,,,,,,,,,,239688,6105,1
H,1,TMS,,,,,,ppm,,,,,,,,,,,,,,239688,6105,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239704,6106,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239720,6107,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239739,6108,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239739,6108,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239739,6108,1
H,1,H2O,protons,,,,,ppm,4.71,internal,indirect,,,,,,,,,,,239758,6109,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,239772,611,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239788,6110,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239788,6110,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239805,6111,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239805,6111,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239805,6111,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,indirect,1.0,external,spherical,parallel,1,entry_citation,,,1,entry_citation,239820,6112,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101383,external,spherical,parallel,1,entry_citation,,,1,entry_citation,239820,6112,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449,external,spherical,parallel,1,entry_citation,,,1,entry_citation,239820,6112,1
H,1,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,239837,6113,1
C,13,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,0.251481697,,,,1,entry_citation,,,1,entry_citation,239837,6113,1
N,15,TSP,methyl protons,,,,,ppm,-0.015,internal,indirect,0.101328713,,,,1,entry_citation,,,1,entry_citation,239837,6113,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239855,6114,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239855,6114,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239855,6114,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239872,6115,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239885,6116,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239885,6116,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239885,6116,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239900,6117,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239900,6117,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239900,6117,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,239916,6118,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,239916,6118,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,239916,6118,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,239930,6120,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,239930,6120,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,239930,6120,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,1,entry_citation,,0.251449530,1,entry_citation,239945,6121,1
H,1,water,protons,,,,,ppm,4.76,internal,direct,,,,,1,entry_citation,,1.0,1,entry_citation,239945,6121,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,1,entry_citation,,0.101329118,1,entry_citation,239945,6121,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,1,entry_citation,,,1,entry_citation,239959,6122,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,1,entry_citation,,,1,entry_citation,239959,6122,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,1,entry_citation,,,1,entry_citation,239959,6122,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,239983,6123,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240000,6125,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240000,6125,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240000,6125,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240020,6126,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240020,6126,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240020,6126,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,240037,6127,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240037,6127,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240037,6127,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,240064,6128,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240064,6128,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240064,6128,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240082,6129,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240082,6129,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240082,6129,1
H,,HMS,,,,,,ppm,0,,,,,,,,,,,,,240095,613,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240111,6130,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240111,6130,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,240111,6130,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240131,6131,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240131,6131,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240131,6131,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240151,6132,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240151,6132,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240151,6132,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.00000,,,,,,,,,,240167,6133,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,240167,6133,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,240167,6133,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240183,6134,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240183,6134,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240183,6134,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240199,6135,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240216,6136,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240216,6136,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240216,6136,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240231,6137,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264789,934,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,1,entry_citation,,,1,entry_citation,240244,6138,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,1,entry_citation,,,1,entry_citation,240244,6138,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,1,entry_citation,,,1,entry_citation,240244,6138,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240265,6139,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240265,6139,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240292,6140,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240292,6140,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240292,6140,1
H,1,water,methyl protons,,,,,ppm,4.733,external,direct,1.00000,,,,1,entry_citation,,,1,entry_citation,240307,6141,1
H,1,TMSP,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,240320,6142,1
C,13,TMSP,methyl carbons,,,,,ppm,0,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,240320,6142,1
N,15,TMSP,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,240320,6142,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240333,6143,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240333,6143,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240356,6144,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240356,6144,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240356,6144,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240382,6145,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240382,6145,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240382,6145,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240413,6146,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240413,6146,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240413,6146,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240431,6147,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240431,6147,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240431,6147,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240445,6148,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449519,,,,1,entry_citation,,,1,entry_citation,240445,6148,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329112,,,,1,entry_citation,,,1,entry_citation,240445,6148,1
H,1,H2O,water,,,,,ppm,4.625185,internal,direct,1,internal,cylindrical,parallel,1,entry_citation,"temperature, ph, ionic strength",,1,entry_citation,240460,6149,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,1,entry_citation,,,1,entry_citation,240460,6149,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,1,entry_citation,,,1,entry_citation,240460,6149,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240477,6150,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240477,6150,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240477,6150,1
H,1,TSPA,methyl protons,,,,,ppm,0,internal,,1.0,,,,1,entry_citation,,,1,entry_citation,240496,6151,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240512,6152,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240512,6152,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240512,6152,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240528,6154,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240544,6155,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240562,6156,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240579,6157,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240597,6158,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240597,6158,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240597,6158,1
H,1,H2O,protons,,,,,ppm,4.71,external,indirect,1.0,external,cylindrical,parallel,,,,,,,240613,6159,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240613,6159,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240613,6159,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,,,,,,,240628,6160,1
N,15,DSS,protons,,,,,ppm,,,indirect,,,,,,,,,,,240628,6160,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.404808636,,,,,,,,,,240644,6161,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240644,6161,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,240644,6161,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.404808636,,,,,,,,,,240660,6162,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240660,6162,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,240660,6162,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,240675,6163,1
C,13,water,protons,,,,,ppm,4.63,internal,indirect,0.252,internal,cylindrical,perpendicular,1,entry_citation,,,1,entry_citation,240675,6163,1
N,15,water,protons,,,,,ppm,4.63,internal,indirect,0.101,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240675,6163,1
H,1,DSS,,,,,,ppm,,,indirect,1.0,,,,,,,,,,240693,6165,1
H,1,H2O,protons,,,,,ppm,4.766,internal,direct,1.0,internal,,,1,entry_citation,,,1,entry_citation,240711,6166,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240711,6166,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240711,6166,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,240736,6167,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240736,6167,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240736,6167,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,240754,6168,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,240770,6169,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,240786,6170,1
H,1,H2O,protons,,,,,ppm,4.766,internal,direct,1.0,internal,,,1,entry_citation,,,1,entry_citation,240803,6171,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,240803,6171,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,240803,6171,1
H,1,TMS,methyl protons,,,,,ppm,0.00,external,direct,1.00000000,external,cylindrical,perpendicular,1,entry_citation,,,1,entry_citation,240825,6172,1
N,15,TMS,methyl protons,,,,,ppm,0.00,external,indirect,0.10132912,,,,1,entry_citation,,,1,entry_citation,240825,6172,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240849,6173,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240849,6173,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240849,6173,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240874,6174,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,240874,6174,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240874,6174,1
C,13,water,protons,,,,,ppm,,internal,indirect,0.251449530,internal,spherical,parallel,,,,,,,240891,6175,1
H,1,water,protons,,,,,ppm,4.908,internal,direct,1.0,internal,spherical,parallel,,,,,,,240891,6175,1
N,15,water,protons,,,,,ppm,,internal,indirect,0.101329118,internal,spherical,parallel,,,,,,,240891,6175,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240929,6176,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240929,6176,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,240929,6176,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240957,6177,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240957,6177,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240957,6177,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240976,6178,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240976,6178,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,240976,6178,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,240992,6179,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,240992,6179,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241008,6180,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241008,6180,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,241021,6181,1
H,1,H2O,protons,,,,,ppm,4.79,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,241021,6181,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,241021,6181,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241038,6182,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241038,6182,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241038,6182,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241056,6183,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241056,6183,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241056,6183,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,241071,6184,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,241071,6184,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,241071,6184,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,241092,6185,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,241092,6185,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,241092,6185,1
H,1,DSS,methyl protons,,,,,ppm,0.000,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241107,6186,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.0,,,,,,,,,,241129,6187,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,241129,6187,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,241129,6187,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241151,6188,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,241151,6188,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,241151,6188,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241171,6189,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,241171,6189,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,241171,6189,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,241191,6190,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,241191,6190,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,241191,6190,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241215,6191,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241215,6191,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241235,6192,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241235,6192,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241235,6192,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,241250,6193,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241250,6193,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241250,6193,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241269,6194,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241269,6194,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241269,6194,1
H,1,d4-TSPA,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,1,entry_citation,,,1,entry_citation,241290,6195,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241290,6195,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,241290,6195,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,241311,6196,1
H,1,d4-TSPA,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,1,entry_citation,,,1,entry_citation,241311,6196,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241311,6196,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241332,6197,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241332,6197,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,241332,6197,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241347,6198,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,1,entry_citation,,,1,entry_citation,241347,6198,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,1,entry_citation,,,1,entry_citation,241347,6198,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,241363,6199,1
C,13,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,241363,6199,1
N,15,DSS,methyl protons,,,,,ppm,0.0,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241363,6199,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,241376,62,1
H,1,D2O,protons,,,,,ppm,4.92,internal,direct,1.0,,,,,,,,,,241391,6200,1
H,1,H2O,protons,,,,,ppm,4.75,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241406,6201,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241406,6201,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241432,6202,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241432,6202,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241432,6202,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241451,6203,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241472,6204,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241495,6205,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,1,entry_citation,,,1,entry_citation,241510,6207,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,241510,6207,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,1,entry_citation,,,1,entry_citation,241510,6207,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,241533,6208,1
N,15,DSS,,,,,,ppm,,,,,,,,,,,,,,241533,6208,1
C,13,DSS,,,,,,ppm,,,,,,,,,,,,,,241533,6208,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,1.0,,,,1,citation,,,1,citation,241555,6209,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citation,,,1,citation,241555,6209,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citation,,,1,citation,241555,6209,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,241576,6210,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,241576,6210,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,241576,6210,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241606,6211,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241606,6211,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241606,6211,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,external,cylindrical,parallel,,,,,,,241624,6212,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241624,6212,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241624,6212,1
C,13,hexamethylbenzene,methyl carbons,,,,,ppm,19.14,,,0.251449530,,,,,,,,,,241639,6214,1
N,15,hexamethylbenzene,methyl carbons,,,,,ppm,19.14,,,0.101329118,,,,,,,,,,241639,6214,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241663,6216,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,241725,6219,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,241747,6220,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,241761,6221,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,241761,6221,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,241761,6221,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241777,6222,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241794,6223,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241794,6223,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,241794,6223,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241818,6224,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241818,6224,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241818,6224,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241851,6225,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241851,6225,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241851,6225,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,241867,6226,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,241867,6226,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,241867,6226,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal,,parallel,,,,,,,241889,6227,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,,parallel,,,,,,,241889,6227,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,,parallel,,,,,,,241889,6227,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,internal,,parallel,,,,,,,241890,6227,2
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,,parallel,,,,,,,241890,6227,2
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,,parallel,,,,,,,241890,6227,2
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241905,6228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,241905,6228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241905,6228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.000000000,,,,,,,,,,241932,6229,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,241932,6229,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,241932,6229,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,241945,623,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241965,6230,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,241986,6231,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,241986,6231,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,241986,6231,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,242006,6232,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,242006,6232,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,242006,6232,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,external,cylindrical,parallel,1,citation1,,,1,citation1,242025,6233,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.25146,external,cylindrical,parallel,1,citation1,,,1,citation1,242025,6233,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.10134,external,cylindrical,parallel,1,citation1,,,1,citation1,242025,6233,1
H,1,water,protons,,,,,ppm,4.5819,internal,direct,,,,,1,entry_citation,,,1,entry_citation,242039,6234,1
N,15,urea,nitrogen,,,,,ppm,78.98,external,indirect,,,,,1,entry_citation,,,1,entry_citation,242039,6234,1
C,13,acetate,methyl carbon,,,,,ppm,25.85,external,indirect,,,,,1,entry_citation,,,1,entry_citation,242039,6234,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242061,6235,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242061,6235,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242061,6235,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242084,6236,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242084,6236,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242084,6236,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,242105,6237,1
H,1,H2O,protons,,,,,ppm,0.00,external,direct,,outside sample,cylindrical,parallel,,,,,,,242141,6238,1
N,15,H2O,N,,,,,ppm,0.00,external,indirect,,outside sample,cylindrical,parallel,,,,,,,242141,6238,1
C,13,H2O,C,,,,,ppm,0.00,external,indirect,,outside sample,cylindrical,parallel,,,,,,,242141,6238,1
Cd,,CdCl2,Cadmium (zinc substitute),,,,,ppm,0.00,external,direct,,outside sample,cylindrical,parallel,,,,,,,242141,6238,1
C,13,DSS,protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,242158,6239,1
H,1,DSS,protons,,,,,ppm,0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,242158,6239,1
N,15,DSS,protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,242158,6239,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242185,6240,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.101329118,,,,,,,,,,242185,6240,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,direct,0.251449530,,,,,,,,,,242185,6240,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242214,6241,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242214,6241,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242214,6241,1
C,13,dioxane,carbon,,,,,ppm,67.80,external,direct,,,,,,,,,,,242229,6242,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,,,,,,,242229,6242,1
N,15,NH4Cl,nitrogen,,,,,ppm,24.93,external,direct,,,,,,,,,,,242229,6242,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,242305,6244,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242305,6244,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242305,6244,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,242328,6245,1
H,1,H2O,protons,,,,,ppm,4.87,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,242357,6246,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,242377,6247,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,242377,6247,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,242377,6247,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,242401,6248,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242401,6248,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,242401,6248,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,1,citation_1,,,1,citation_1,242416,6249,1
C,13,,,,,,,ppm,,,,,,,,1,citation_1,,,1,citation_1,242416,6249,1
N,15,,,,,,,ppm,,,,,,,,1,citation_1,,,1,citation_1,242416,6249,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,242435,6250,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,242435,6250,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,242435,6250,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,242455,6251,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,242455,6251,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,242455,6251,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.000000000,internal,cylindrical,parallel,,,,,,,242484,6252,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,internal,cylindrical,parallel,,,,,,,242484,6252,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,internal,cylindrical,parallel,,,,,,,242484,6252,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242510,6253,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242510,6253,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242510,6253,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,,,,,,,,,,,242534,6254,1
C,13,DSS,carbon,,,,,ppm,0,internal,indirect,,,,,,,,,,,242534,6254,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,,,,,,,,,,,242534,6254,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,in sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242563,6255,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,in sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242563,6255,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,in sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242563,6255,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,242589,6256,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242589,6256,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242589,6256,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242604,6257,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242604,6257,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242620,6258,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242620,6258,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242620,6258,1
H,1,water,protons,,,,,ppm,4.772925,external,indirect,,,,,1,citation_1,,,1,citation_1,242638,6259,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,242638,6259,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,242638,6259,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242658,6260,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242658,6260,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242685,6261,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242685,6261,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242685,6261,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,242704,6262,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242704,6262,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242704,6262,1
H,1,water,,,,,,ppm,4.75,,,,,,,,,,,,,242726,6263,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,242745,6264,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,242776,6265,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,242776,6265,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,242776,6265,1
H,1,water,protons,,,,,ppm,,,,1.0,,,,1,entry_citation,,,1,entry_citation,242808,6266,1
N,15,urea,nitrogen,,,,,ppm,,,,1.0,,,,1,entry_citation,,,1,entry_citation,242808,6266,1
C,13,dioxane,carbon,,,,,ppm,,,,1.0,,,,1,entry_citation,,,1,entry_citation,242808,6266,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.000000000,,,,1,entry_citation,,,1,entry_citation,242833,6267,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,242833,6267,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.101329118,,,,1,entry_citation,,,1,entry_citation,242833,6267,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,outside sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242852,6268,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,outside sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242852,6268,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,outside sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242852,6268,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242869,6269,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242869,6269,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242869,6269,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242886,6270,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242886,6270,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242886,6270,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,citation,,,1,citation,242901,6271,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1,,,,1,citation,,,1,citation,242901,6271,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,citation,,,1,citation,242901,6271,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,242929,6272,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,242929,6272,1
C,13,DSS,nitrogen,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,242929,6272,1
H,1,H2O,protons,,,,,ppm,4.8,external,direct,1.0,external,cylindrical,parallel,,,,,,,242948,6273,1
P,31,trimethylphosphate,phosphates,,,,,ppm,0.00,external,direct,0.404808636,external,cylindrical,parallel,,,,,,,242948,6273,1
H,1,H2O,protons,,,,,ppm,4.80,external,direct,1.0,external,cylindrical,parallel,1,entry_citation,,,1,entry_citation,242966,6274,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,242997,6275,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,242997,6275,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,242997,6275,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243023,6276,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243023,6276,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243023,6276,1
C,13,UbcH5B,aliphatic carbons,,,,,ppm,41.3,external,indirect,,,,,1,entry_citation,,,1,entry_citation,243042,6277,1
H,1,UbcH5B,protons,,,,,ppm,4.77,external,indirect,,,,,1,entry_citation,,,1,entry_citation,243042,6277,1
N,15,UbcH5B,nitrogen,,,,,ppm,117.5,external,indirect,,,,,1,entry_citation,,,1,entry_citation,243042,6277,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243060,6278,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243060,6278,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243060,6278,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243094,6279,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243094,6279,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243094,6279,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243122,6280,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,243122,6280,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243122,6280,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243148,6281,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243148,6281,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243148,6281,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243165,6282,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243165,6282,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243165,6282,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243189,6283,1
N,15,NH3,nitrogen,,,,,ppm,0,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,243189,6283,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,243205,6284,1
H,1,DSS,protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243205,6284,1
N,15,NH3,nitrogen,,,,,ppm,0,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,243205,6284,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,243219,6285,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243219,6285,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243219,6285,1
H,1,TSP,methyl,,,,,ppm,0.00,external,direct,1.0,external,spherical,parallel,,,,,,,243235,6286,1
N,15,TSP,,,,,,ppm,,,indirect,0.10132914,,,,,,,,,,243235,6286,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,internal,,,,,,,,,243262,6287,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243262,6287,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243262,6287,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243280,6288,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243308,6289,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243308,6289,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243308,6289,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243324,6290,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,243353,6291,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243353,6291,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243353,6291,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,,,,,,,243380,6292,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243380,6292,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243380,6292,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243398,6293,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243416,6294,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,243454,6295,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243454,6295,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243454,6295,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,1,entry_citation,,,1,entry_citation,243454,6295,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243472,6296,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243502,6297,1
H,1,H2O,protons,,,,,ppm,4.698,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243502,6297,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243502,6297,1
H,1,DSS,,,,,,ppm,0.0,,,1.0,,,,,,,,,,243522,6298,1
N,15,DSS,,,,,,ppm,0.0,,,0.101329112,,,,,,,,,,243522,6298,1
C,13,DSS,,,,,,ppm,0.0,,,0.251449519,,,,,,,,,,243522,6298,1
C,13,,,,,,,ppm,76.01,,,1.0,,,,,,,,,,243538,6299,1
H,1,water,,,,,,ppm,4.75,,,1.0,,,,,,,,,,243538,6299,1
N,15,,,,,,,ppm,39.04,,,1.0,,,,,,,,,,243538,6299,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,243551,63,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,243567,630,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,243587,6300,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,243587,6300,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,243587,6300,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,1,entry_citation,,,1,entry_citation,243614,6301,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329,,,,1,entry_citation,,,1,entry_citation,243614,6301,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,,1.0,,,,1,entry_citation,,,1,entry_citation,243636,6302,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,,1.0,,,,1,entry_citation,,,1,entry_citation,243657,6303,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,243676,6304,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,0.101329118,outside sample,cylindrical,parallel,1,entry_citation,,,1,entry_citation,243676,6304,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,parallel,,,,,,,243697,6305,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,,outside sample,cylindrical,parallel,,,,,,,243697,6305,1
N,15,DSS,nitrogen,,,,,ppm,0,external,indirect,0.101329118,outside sample,cylindrical,parallel,,,,,,,243697,6305,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,,outside sample,cylindrical,parallel,,,,,,,243712,6306,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,outside sample,cylindrical,parallel,,,,,,,243712,6306,1
H,1,TMSPA,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,1,entry_citation,,,1,entry_citation,243732,6307,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243749,6308,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243749,6308,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243749,6308,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243762,6309,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,243762,6309,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243762,6309,1
C,13,H2O,protons,,,,,ppm,,external,indirect,,,,,1,entry_citation,,,1,entry_citation,243775,6310,1
H,1,H2O,protons,,,,,ppm,,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243775,6310,1
N,15,H2O,protons,,,,,ppm,,external,indirect,,,,,1,entry_citation,,,1,entry_citation,243775,6310,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243801,6311,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243801,6311,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243801,6311,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,243819,6312,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243819,6312,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243819,6312,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,243840,6313,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243840,6313,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243840,6313,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,243865,6314,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243865,6314,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243865,6314,1
H,1,water,protons,,,,,ppm,4.772925,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,243878,6315,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243878,6315,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243878,6315,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243891,6317,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243891,6317,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243891,6317,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,,,,,,,243929,6318,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,243929,6318,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,243929,6318,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243944,6319,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,243944,6319,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,243944,6319,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,243969,6320,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243969,6320,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,243969,6320,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,243983,6321,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,,,,,1,entry_citation,,,1,entry_citation,244009,6322,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,244035,6324,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,244035,6324,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,244035,6324,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,,1.0,,,,1,entry_citation,,,1,entry_citation,244057,6325,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,,1.0,,,,1,entry_citation,,,1,entry_citation,244080,6326,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,,1,,,,1,entry_citation,,,1,entry_citation,244102,6327,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,,1.0,,,,1,entry_citation,,,1,entry_citation,244125,6328,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,,1.0,,,,1,entry_citation,,,1,entry_citation,244149,6329,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,244166,6330,1
C,13,DSS,methyl carbons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,244166,6330,1
N,15,Amonia,nitrogen,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,244166,6330,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244195,6331,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244195,6331,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244195,6331,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244218,6332,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244218,6332,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244218,6332,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,244243,6333,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,,,,,,,244243,6333,1
N,15,NH3,nitrogen,,,,,ppm,0,internal,indirect,0.1013291180,,,,,,,,,,244243,6333,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,244267,6334,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244267,6334,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244267,6334,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244283,6335,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244283,6335,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244283,6335,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244302,6336,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244302,6336,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244302,6336,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244323,6337,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244323,6337,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244323,6337,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,244343,6338,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244343,6338,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244343,6338,1
H,1,H2O,protons,,,,,ppm,4.773,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244364,6339,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244364,6339,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244364,6339,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244385,6340,1
H,1,H2O,protons,,,,,ppm,4.773,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244385,6340,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244385,6340,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,244407,6341,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,,,,,,,,,,,244407,6341,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,,,,,,,,,,,244407,6341,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244429,6342,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244429,6342,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244429,6342,1
C,13,DSS,not applicable,,,,,ppm,0,external,indirect,,,,,,,,,,,244447,6343,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,244447,6343,1
N,15,DSS,not applicable,,,,,ppm,0,external,indirect,,,,,,,,,,,244447,6343,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244462,6344,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244462,6344,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244462,6344,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244491,6345,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244523,6346,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244523,6346,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244523,6346,1
H,1,,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,244540,6347,1
N,15,Tyrosine(HCl),nitrogen,,,,,ppm,0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244558,6348,1
C,13,Tyrosine(HCl),Carbonyl carbon,,,,,ppm,0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244558,6348,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,244581,6349,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244581,6349,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244581,6349,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,244603,6350,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244603,6350,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244603,6350,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244617,6351,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244617,6351,1
H,1,water,protons,,,,,ppm,4.91,internal,direct,1.0,internal,,parallel,,,temperature,,,,244642,6352,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244657,6353,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244657,6353,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244657,6353,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,244674,6354,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244674,6354,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244674,6354,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,external,cylindrical,parallel,,,,,,,244704,6355,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,,,,,,,244704,6355,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,,,,,,,244704,6355,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244733,6356,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244733,6356,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244733,6356,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,244759,6357,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244759,6357,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244759,6357,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,244795,6358,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,244795,6358,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,244795,6358,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,244809,6359,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,244809,6359,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,244809,6359,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244831,6360,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244854,6361,1
C,13,H2O,protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,244854,6361,1
N,15,H2O,protons,,,,,ppm,0.0,external,indirect,,,,,,,,,,,244854,6361,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,244886,6362,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,244886,6362,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,244886,6362,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,244900,6363,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,244900,6363,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,244900,6363,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,244921,6364,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244921,6364,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244921,6364,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,244935,6365,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244935,6365,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244935,6365,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,,,,,,,,,,244957,6366,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,244957,6366,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,244957,6366,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,244979,6367,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,244979,6367,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,244979,6367,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,244998,6368,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,244998,6368,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,244998,6368,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245016,6369,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245016,6369,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245016,6369,1
H,1,H2O,protons,,,,,ppm,,internal,indirect,1.0,internal,spherical,parallel,,,,,,,245032,6370,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245060,6371,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245060,6371,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245060,6371,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,internal,spherical,parallel,,,,,,,245090,6372,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,direct,0.251449530,internal,spherical,parallel,,,,,,,245090,6372,1
H,15,DSS,methyl protons,,,,,ppm,0,internal,direct,0.101329118,internal,spherical,parallel,,,,,,,245090,6372,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,245110,6373,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,245110,6373,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,245110,6373,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245133,6374,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245133,6374,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245133,6374,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245170,6375,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245170,6375,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245170,6375,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245186,6376,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245186,6376,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245186,6376,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245201,6377,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245201,6377,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245201,6377,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245214,6378,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245214,6378,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245214,6378,1
H,1,DSS,methyl protons,,,,,ppm,0.01,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,245237,6379,1
C,13,DSS,methyl protons,,,,,ppm,0.01,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245237,6379,1
N,15,DSS,methyl protons,,,,,ppm,0.01,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245237,6379,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245250,6380,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245250,6380,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245250,6380,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245263,6381,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245263,6381,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245263,6381,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,245277,6382,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245290,6383,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245290,6383,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245290,6383,1
C,13,DSS,methyl protons,,,,,ppm,0.0,indirect,indirect,0.251449530,,,,,,,,,,245309,6384,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245309,6384,1
N,15,DSS,methyl protons,,,,,ppm,0.0,indirect,indirect,0.101329118,,,,,,,,,,245309,6384,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245336,6385,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245336,6385,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245336,6385,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245355,6386,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245372,6387,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245392,6388,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,245406,6389,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245423,6390,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245423,6390,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245423,6390,1
C,13,TSP,methyl carbon,,,,,ppm,0.0,external,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,245455,6391,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,direct,1.00000000,,,,1,entry_citation,,,1,entry_citation,245455,6391,1
N,15,TSP,nitrogen,,,,,ppm,0.0,external,indirect,0.10132900,,,,1,entry_citation,,,1,entry_citation,245455,6391,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245477,6392,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245477,6392,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245477,6392,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245500,6393,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245500,6393,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245500,6393,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,Citation_1,,,1,Citation_1,245531,6395,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Citation_1,,,1,Citation_1,245531,6395,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,245531,6395,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245547,6396,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245547,6396,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245547,6396,1
H,1,LEU residue no. 69,methyl protons,,,,,ppm,0.529,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245568,6398,1
N,15,LEU residue no. 69,methyl protons,,,,,ppm,0.529,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245568,6398,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,245597,6399,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,245597,6399,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,245597,6399,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,245610,64,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245635,6400,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245635,6400,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245635,6400,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245661,6401,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,0.25145,,,,1,entry_citation,,,1,entry_citation,245661,6401,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245661,6401,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245674,6402,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,245689,6403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245689,6403,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,245689,6403,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245709,6404,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245709,6404,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245709,6404,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245725,6405,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245725,6405,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245725,6405,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.0,external,spherical,parallel,1,entry_citation,,,1,entry_citation,245763,6406,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,spherical,parallel,1,entry_citation,,,1,entry_citation,245763,6406,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,spherical,parallel,1,entry_citation,,,1,entry_citation,245763,6406,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,outside sample,,,1,entry_citation,,,1,entry_citation,245783,6407,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,outside sample,,,1,entry_citation,,,1,entry_citation,245783,6407,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245806,6408,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245806,6408,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245806,6408,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245829,6409,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,245829,6409,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,245829,6409,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,245865,6410,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,245865,6410,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,245865,6410,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245882,6411,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245902,6412,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245922,6413,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,245944,6414,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,245967,6415,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,246018,6416,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246018,6416,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246018,6416,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,246050,6418,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,246050,6418,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,246050,6418,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246068,6419,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246068,6419,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246068,6419,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,246091,6420,1
H,1,DMSO,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,246108,6421,1
H,1,DMSO,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,246125,6422,1
H,1,DMSO,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,246143,6423,1
H,1,DMSO,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,246159,6424,1
H,1,DMSO,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,246176,6425,1
H,1,DMSO,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,246193,6426,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246226,6427,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246226,6427,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246226,6427,1
H,1,water,protons,,,,,ppm,4.69,internal,direct,1.00,internal,cylindrical,parallel,,,,,,,246245,6428,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,1.0,,,,,,,246273,6429,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,external,indirect,,,,1.0,,,,,,,246273,6429,1
N,15,DSS,nitrogen,,,,,ppm,0.0,external,indirect,,,,1.0,,,,,,,246273,6429,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246302,6430,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,246302,6430,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,246327,6431,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,246327,6431,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,246327,6431,1
H,1,H2O,methylene,,,,,ppm,4.7,internal,direct,13.46382,internal,spherical,parallel,,,,,,,246352,6432,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246352,6432,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246352,6432,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246352,6432,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246374,6433,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246374,6433,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246374,6433,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,246392,6434,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,246392,6434,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,246392,6434,1
H,1,XC 4149,protons,,,,,ppm,0.01,internal,direct,,,,,,,,,,,246415,6436,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246433,6437,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,246466,6438,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246466,6438,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246466,6438,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.251449530,,,,,,,,,,246494,6439,1
H,1,DSS,methyl protons,,,,,ppm,,external,direct,1.0,,,,,,,,,,246494,6439,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,0.101329118,,,,,,,,,,246494,6439,1
C,,TSP,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,246507,644,1
H,,HOD,,,,,,ppm,4.66,,,,,,,1,entry_citation,,,1,entry_citation,246507,644,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.251449530,,,,,,,,,,246528,6440,1
H,1,DSS,methyl protons,,,,,ppm,,external,direct,1.0,,,,,,,,,,246528,6440,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,0.101329118,,,,,,,,,,246528,6440,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,0.251449530,,,,246546,6441,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,,,,,,,1.0,,,,246546,6441,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,0.101329118,,,,246546,6441,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,246558,6442,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,,,,,,,,,,246558,6442,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,,,,,,,246558,6442,1
H,1,H2O,methyl protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,246585,6443,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,246585,6443,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,246585,6443,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,246607,6444,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,246607,6444,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,246607,6444,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246633,6445,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246633,6445,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246633,6445,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,246657,6446,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,246657,6446,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,246657,6446,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,,,,,,,,,,246677,6447,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,,,,,,,246677,6447,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,246677,6447,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246722,6448,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246722,6448,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246722,6448,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,,,,1.0,,,,,,,246751,6449,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,external,indirect,,,,1.0,,,,,,,246751,6449,1
N,15,DSS,nitrogen,,,,,ppm,0.0,external,indirect,,,,1.0,,,,,,,246751,6449,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,246767,645,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246783,6451,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246783,6451,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246783,6451,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246806,6452,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246806,6452,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246806,6452,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246833,6453,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246833,6453,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246833,6453,1
H,1,DSS,methyl protons,,,,,ppm,0.01,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,246849,6454,1
C,13,DSS,methyl protons,,,,,ppm,0.01,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,246849,6454,1
N,15,DSS,methyl protons,,,,,ppm,0.01,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,246849,6454,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,0.251449530,,,,246863,6455,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,,,,1.0,,,,246863,6455,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,0.101329118,,,,246863,6455,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,246892,6456,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,246892,6456,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,246892,6456,1
C,13,TSP,methyl carbon,,,,,ppm,1,internal,direct,,,,,1,entry_citation,,,1,entry_citation,246907,6457,1
H,1,TSP,protons,,,,,ppm,0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,246907,6457,1
N,15,TSP,,,,,,,,,indirect,,,,,1,entry_citation,,,1,entry_citation,246907,6457,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,,,,,1,entry_citation,,,1,entry_citation,246921,6458,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,246951,6459,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,246951,6459,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,246951,6459,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00000000,,,,,,,,,,246978,6460,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,,,,,,,246978,6460,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,,,,,,,246978,6460,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,246995,6462,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,,,,,,,247010,6463,1
H,1,DSS,methyl protons,,,,,ppm,,external,direct,1.000000000,,,,,,,,,,247033,6464,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.251449530,,,,,,,,,,247033,6464,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,0.101329118,,,,,,,,,,247033,6464,1
H,1,H2O,protons,,,,,ppm,4.8,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247060,6465,1
C,13,H2O,protons,,,,,ppm,4.8,external,indirect,0.25144953,,,,1,entry_citation,,,1,entry_citation,247060,6465,1
N,15,H2O,protons,,,,,ppm,4.8,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,247060,6465,1
C,13,neat TMS,methyl carbons,,,,,ppm,2.86,external,direct,,,,,,,,,,,247081,6466,1
H,1,TMS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,247081,6466,1
N,15,15N4Cl in 1M HCl,nitrogen,,,,,ppm,24.93,external,direct,,,,,,,,,,,247081,6466,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,247104,6467,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247124,6468,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247124,6468,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247124,6468,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation,,,1,citation,247147,6469,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,1,citation,,,1,citation,247147,6469,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,1,citation,,,1,citation,247147,6469,1
H,1,H2O,protons,,,,,ppm,4.726,internal,indirect,1.0,internal,cylindrical,parallel,,,,,,,247179,6473,1
C,13,H2O,protons,,,,,ppm,4.726,external,indirect,0.251493606,internal,cylindrical,parallel,,,,,,,247179,6473,1
N,15,H2O,protons,,,,,ppm,4.726,external,indirect,0.101341246,internal,cylindrical,parallel,,,,,,,247179,6473,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,247229,6475,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,247229,6475,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,247229,6475,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,0.251449530,1,entry_citation,,,1,entry_citation,247252,6476,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,,,,1.0,1,entry_citation,,,1,entry_citation,247252,6476,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,0.101329118,1,entry_citation,,,1,entry_citation,247252,6476,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247290,6477,1
H,1,H2O,protons,,,,,ppm,,internal,direct,1.0,internal,,,,,,,,,247290,6477,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247290,6477,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,247307,6478,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247307,6478,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247307,6478,1
H,1,DSS,methyl protons,,,,,ppm,0.00,,direct,1.000000000,,,,2,citation_one,,,,,247343,6479,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,2,citation_one,,,,,247343,6479,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,2,citation_one,,,,,247343,6479,1
C,13,Dioxane,methylene carbon,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247373,6480,1
H,1,Water,protons,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247373,6480,1
N,15,Urea,amide nitrogen,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247373,6480,1
H,1,Water,protons,,,,,ppm,,,direct,1.0,,,,,,,,,,247400,6481,1
N,15,Urea,amide nitrogen,,,,,ppm,,,direct,1.0,,,,,,,,,,247400,6481,1
H,1,Water,protons,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247429,6482,1
N,15,Urea,amide nitrogen,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247429,6482,1
H,1,Water,protons,,,,,ppm,,,direct,1.0,,,,,,,,,,247456,6483,1
N,15,Urea,amide nitrogen,,,,,ppm,,,direct,1.0,,,,,,,,,,247456,6483,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation,,,1,citation,247487,6484,1
N,15,,,,,,,ppm,,,,,,,,1,citation,,,1,citation,247487,6484,1
C,13,,,,,,,ppm,,,,,,,,1,citation,,,1,citation,247487,6484,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,247506,6485,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247506,6485,1
H,1,TMS,methyl protons,,,,,ppm,0.0,,direct,1.0,,internal,,1,citation_1,,,1,citation_1,247548,6489,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,247548,6489,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,247548,6489,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247563,6493,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247563,6493,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247563,6493,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,247585,6494,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247585,6494,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247585,6494,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,247610,6495,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247610,6495,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247610,6495,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,247634,6496,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247634,6496,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247634,6496,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247658,6498,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,,,,,,,247658,6498,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,,,,,,,247658,6498,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,247676,6499,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,247690,65,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247709,6500,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247709,6500,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247709,6500,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,247722,6501,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247722,6501,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,247722,6501,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,247733,6502,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,247733,6502,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,247733,6502,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247764,6503,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247764,6503,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247764,6503,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247778,6504,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247778,6504,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247778,6504,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,external,cylindrical,parallel,2,ref-2,,,,,247817,6505,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,2,ref-2,,,,,247817,6505,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,2,ref-2,,,,,247817,6505,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.2514,,,,,,,,,,247839,6506,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247839,6506,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.1013,,,,,,,,,,247839,6506,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,247862,6507,1
H,1,H2O,protons,,,,,ppm,4.79,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247862,6507,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132911,,,,1,entry_citation,,,1,entry_citation,247862,6507,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144953,,,,,,,,,,247884,6508,1
H,1,H2O,protons,,,,,ppm,4.79,internal,direct,1.0,,,,,,,,,,247884,6508,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132911,,,,,,,,,,247884,6508,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,247910,6509,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,247910,6509,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,247910,6509,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,247910,6509,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247927,6510,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247927,6510,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247927,6510,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247944,6511,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247968,6512,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247968,6512,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247968,6512,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,247992,6513,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,247992,6513,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,247992,6513,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248006,6514,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248006,6514,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248006,6514,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248029,6515,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248029,6515,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248029,6515,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248048,6516,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248048,6516,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248048,6516,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248062,6517,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248062,6517,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248062,6517,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248078,6518,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248078,6518,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248078,6518,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,248078,6518,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,248093,6519,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248093,6519,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,248093,6519,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,248106,6520,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1,,,,,,,,,,248106,6520,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,248106,6520,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,248124,6521,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,,,,,,,,,,,248141,6522,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248165,6524,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248165,6524,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248165,6524,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248178,6525,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248191,6526,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248191,6526,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248191,6526,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248207,6527,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248207,6527,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248207,6527,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248227,6528,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248227,6528,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248227,6528,1
C,13,H2O,protons,,,,,ppm,4.70,external,indirect,0.25144953,,,,,,,,,,248252,6529,1
H,1,H2O,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,248252,6529,1
N,15,H2O,protons,,,,,ppm,4.70,external,indirect,0.101329118,,,,,,,,,,248252,6529,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,248265,653,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.00000,,,,,,,,,,248289,6530,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,,,,,,,,,,248289,6530,1
H,1,water,,,,,,ppm,,,,1.0,,,,1,entry_citation,,,1,entry_citation,248309,6531,1
N,15,Urea,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,248309,6531,1
C,13,Dioxane,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,248309,6531,1
H,1,water,,,,,,ppm,,,,1.0,,,,,,,,,,248327,6532,1
N,15,Urea,,,,,,ppm,,,,,,,,,,,,,,248327,6532,1
C,13,Dioxane,,,,,,ppm,,,,,,,,,,,,,,248327,6532,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248345,6533,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248345,6533,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248345,6533,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248362,6535,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,248362,6535,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248377,6536,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248377,6536,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248377,6536,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248393,6537,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248406,6538,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248406,6538,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248406,6538,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,248426,6539,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,248426,6539,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,248426,6539,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,indirect,1.0,external,spherical,parallel,,,,,,,248471,6540,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449519,external,spherical,parallel,,,,,,,248471,6540,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329112,external,spherical,parallel,,,,,,,248471,6540,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248486,6541,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248486,6541,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248486,6541,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248499,6542,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248499,6542,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248499,6542,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248517,6543,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248517,6543,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248517,6543,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,248517,6543,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248531,6546,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248531,6546,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248531,6546,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248554,6547,1
C,13,DSS,,,,,,ppm,,,,0.251449530,,,,1,entry_citation,,,1,entry_citation,248568,6549,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248568,6549,1
N,15,DSS,,,,,,ppm,,,,0.101329118,,,,1,entry_citation,,,1,entry_citation,248568,6549,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248594,6551,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248594,6551,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248594,6551,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,248621,6552,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,248621,6552,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,248621,6552,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,248648,6553,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,248648,6553,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,248648,6553,1
C,13,HFIP,carbon,,,,,ppm,71,,,1.0,,,,,,,,,,248669,6554,1
H,1,HFIP,protons,,,,,ppm,3.88,,,1.0,,,,,,,,,,248669,6554,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248690,6555,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248690,6555,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248690,6555,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248716,6556,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248716,6556,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248716,6556,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,indirect,1.0,,,,,,,,,,248737,6557,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,248762,6558,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,248762,6558,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,248762,6558,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,248788,6559,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,248788,6559,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,248788,6559,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,248814,6560,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,248814,6560,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,248814,6560,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248834,6561,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248873,6562,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248873,6562,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248873,6562,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,248873,6562,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248889,6563,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248889,6563,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248889,6563,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,248907,6564,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,248907,6564,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,248907,6564,1
C,13,TSP,methyl carbons,,,,,ppm,0.0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,248923,6565,1
H,1,TSP,protons,,,,,ppm,0.0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,248923,6565,1
N,15,Liquid Ammonia,nitrogen,,,,,ppm,0.0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,248923,6565,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,248938,6566,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,248938,6566,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,248938,6566,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248954,6567,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248954,6567,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248954,6567,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248969,6568,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248969,6568,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248969,6568,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,248985,6569,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,248985,6569,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,248985,6569,1
H,1,H2O,protons,,,,,ppm,4.79,internal,direct,1.0,internal,cylindrical,parallel,,,"temperature, salt, pH",,,,249017,6570,1
C,13,H2O,protons,,,,,ppm,4.79,external,indirect,0.251449530,,,,,,,,,,249017,6570,1
N,15,H2O,protons,,,,,ppm,4.79,external,indirect,0.101329118,,,,,,,,,,249017,6570,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249035,6571,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,1,,,,1,entry_citation,,,1,entry_citation,249035,6571,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249035,6571,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,1,citation_1,,,1,citation_1,249050,6572,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101342,,,,1,citation_1,,,1,citation_1,249050,6572,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249069,6573,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249069,6573,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249069,6573,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,external,cylindrical,parallel,,,,,,,249098,6574,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,,,,,,,249098,6574,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,,external,cylindrical,parallel,,,,,,,249098,6574,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249109,6575,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249109,6575,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249109,6575,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,Crotamine_structure_and_disulfide_bonds,,,1,Crotamine_structure_and_disulfide_bonds,249127,6576,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,249162,6577,1
H,1,water,protons,,,,,ppm,4.657657,internal,direct,1.0,,,,,,,,,,249162,6577,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,249162,6577,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249185,6578,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249185,6578,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249185,6578,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249201,6579,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249201,6579,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249201,6579,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249222,6580,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249222,6580,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249222,6580,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249256,6581,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449550,,,,1,entry_citation,,,1,entry_citation,249256,6581,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329242,,,,1,entry_citation,,,1,entry_citation,249256,6581,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249278,6582,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249278,6582,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249278,6582,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249294,6583,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249294,6583,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249294,6583,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249315,6584,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249315,6584,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,249315,6584,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249315,6584,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,249315,6584,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249338,6585,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249338,6585,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249338,6585,1
H,1,TMSP,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,249364,6586,1
N,15,TMSP,methyl protons,,,,,ppm,0.0,,indirect,0.10132914,,,,,,,,,,249364,6586,1
C,13,TMSP,methyl protons,,,,,ppm,0.0,,indirect,0.25145002,,,,,,,,,,249364,6586,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,249377,6587,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,249377,6587,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,249377,6587,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249389,6588,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249389,6588,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249389,6588,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249403,6589,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249403,6589,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249403,6589,1
C,13,TSP,methyl protons,,,,,ppm,0,external,indirect,0.25144952,,,,,,,,,,249426,6590,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1,,,,,,,,,,249426,6590,1
N,15,TSP,methyl protons,,,,,ppm,0,external,indirect,0.10132905,,,,,,,,,,249426,6590,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249455,6591,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249469,6592,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249469,6592,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249469,6592,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249484,6593,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249484,6593,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249484,6593,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249510,6594,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249510,6594,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249510,6594,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,249527,6596,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.000000000,,,,,,,,,,249556,6597,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,249556,6597,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,249556,6597,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249573,6598,1
H,1,DSS,methyl protons,,,,,ppm,,,,1.000000000,,,,,,,,,,249596,6599,1
C,13,DSS,methyl protons,,,,,ppm,,,,0.251449530,,,,,,,,,,249596,6599,1
N,15,DSS,methyl protons,,,,,ppm,,,,0.101329118,,,,,,,,,,249596,6599,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,249610,66,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,249623,660,1
C,13,DSS,methyl protons,,,,,ppm,,,,0.251449530,,,,,,,,,,249643,6600,1
H,1,DSS,methyl protons,,,,,ppm,,,,1.000000000,,,,,,,,,,249643,6600,1
N,15,DSS,methyl protons,,,,,ppm,,,,0.101329118,,,,,,,,,,249643,6600,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249659,6601,1
H,1,water,protons,,,,,ppm,4.83,internal,direct,1.000000000,internal,,,,,,,,,249659,6601,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249659,6601,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,249683,6602,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,Citation_1,,,1,Citation_1,249683,6602,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,Citation_1,,,1,Citation_1,249683,6602,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249695,6603,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249695,6603,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249695,6603,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,249713,6604,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249713,6604,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,249713,6604,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249736,6605,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249736,6605,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249736,6605,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,249753,6606,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,249753,6606,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,249753,6606,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,249767,6607,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,249767,6607,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,249767,6607,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,249780,6608,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249802,6609,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249802,6609,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249802,6609,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,249815,661,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249828,6610,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249828,6610,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249828,6610,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249845,6611,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249845,6611,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249845,6611,1
H,1,H2O,protons,,,,,ppm,4.87,internal,direct,1.0,internal,,,,,temperature and pH,,,,249862,6612,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449527,,,,,,,,,,249862,6612,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,249862,6612,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,249884,6613,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.251449530,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,249884,6613,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,internal,cylindrical,parallel,1,entry_citation,,,1,entry_citation,249884,6613,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249898,6615,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249898,6615,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249898,6615,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citations,,,1,citations,249916,6616,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,249932,6617,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,249932,6617,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,249932,6617,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citations,,,1,citations,249950,6618,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citations,,,1,citations,249968,6619,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,249981,662,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,outside sample,cylindrical,parallel,,,,,,,250013,6620,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250013,6620,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,outside sample,cylindrical,parallel,,,,,,,250013,6620,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250028,6621,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,250028,6621,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250028,6621,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250043,6622,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250043,6622,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250043,6622,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,250058,6623,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250077,6624,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250077,6624,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250077,6624,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250090,6625,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250090,6625,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250090,6625,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250121,6626,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250121,6626,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250121,6626,1
C,13,H2O,protons,,,,,ppm,4.65,internal,indirect,0.251449530,,,,,,,,,,250137,6627,1
H,1,H2O,protons,,,,,ppm,4.65,internal,direct,1.0,,,,,,,,,,250137,6627,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250153,6628,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250153,6628,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250153,6628,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,250170,6629,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250170,6629,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250170,6629,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250190,6631,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250190,6631,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250190,6631,1
C,13,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.251449,internal,cylindrical,parallel,,,,,,,250220,6633,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,parallel,,,,,,,250220,6633,1
N,15,TSP,methyl protons,,,,,ppm,0.00,external,indirect,0.101329,internal,cylindrical,parallel,,,,,,,250220,6633,1
H,1,H2O,protons,,,,,ppm,4.7,internal,secondary,1.0,,,,,,,,,,250240,6634,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250263,6635,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250263,6635,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250263,6635,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250283,6636,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250308,6637,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250322,6638,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250322,6638,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250322,6638,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250347,6639,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,250363,664,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,250394,6640,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250394,6640,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,250394,6640,1
C,13,TSP,methyl protons,,,,,ppm,,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,250407,6642,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1,,,,1,citation_1,,,1,citation_1,250407,6642,1
N,15,TSP,methyl protons,,,,,ppm,,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,250407,6642,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250420,6643,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1,,,,1,entry_citation,,,1,entry_citation,250420,6643,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250420,6643,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,outside sample,cylindrical,parallel,,,,,,,250433,6644,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,outside sample,cylindrical,parallel,,,,,,,250433,6644,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,outside sample,cylindrical,parallel,,,,,,,250433,6644,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250447,6645,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250447,6645,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250447,6645,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250461,6646,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250461,6646,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250461,6646,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250487,6647,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250519,6648,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250519,6648,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250519,6648,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.000000000,,cylindrical,parallel,,,,,,,250539,6649,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,250539,6649,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,250539,6649,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,250555,665,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250579,6650,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250603,6651,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250621,6652,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,250621,6652,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250621,6652,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250647,6653,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,250647,6653,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,250647,6653,1
H,1,TSP,methyl,,,,,ppm,0.00,internal,direct,13.46382,internal,spherical,parallel,,,,,,,250662,6654,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250700,6655,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,cylindrical,parallel,1,entry_citation,,,1,entry_citation,250700,6655,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250700,6655,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250726,6656,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,250726,6656,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,250749,6657,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,250749,6657,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,250774,6658,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,250774,6658,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250774,6658,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,250790,6659,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250790,6659,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,250803,666,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,indirect,1,,,,1,entry_citation,,,1,entry_citation,250819,6660,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250819,6660,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250835,6661,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250851,6662,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250867,6663,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250883,6664,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250899,6665,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250915,6666,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250931,6667,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250947,6668,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250963,6669,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,250979,667,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,250995,6670,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251011,6671,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251027,6672,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251043,6673,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251059,6674,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251075,6675,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251091,6676,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251107,6677,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251123,6678,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251139,6679,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251139,6679,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251139,6679,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,,,,,,,251152,668,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251167,6680,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251167,6680,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251167,6680,1
H,1,F3CCDHOD,methylene proton,,,,,ppm,3.98,internal,,1.0,,,,,,,,,,251187,6681,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,251221,6682,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251221,6682,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,251221,6682,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144952,,,,,,,,,,251240,6683,1
H,1,H2O,protons,,,,,ppm,4.76,internal,direct,1.0,,,,,,,,,,251240,6683,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132905,,,,,,,,,,251240,6683,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251257,6685,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251257,6685,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251257,6685,1
H,1,DSS,protons,,,,,ppm,4.81,direct,internal,,,,,,,,,,,251277,6686,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251302,6687,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251302,6687,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251330,6688,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251330,6688,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251330,6688,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251348,6689,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251348,6689,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,251381,6690,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,251381,6690,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251381,6690,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,251411,6691,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,251411,6691,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251411,6691,1
C,13,water,protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,251429,6692,1
H,1,water,protons,,,,,ppm,4.69,internal,direct,1.0,,,,,,,,,,251429,6692,1
N,15,water,protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,251429,6692,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,251485,6693,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251485,6693,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,251485,6693,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,251510,6695,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,251510,6695,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,251510,6695,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251539,6696,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251539,6696,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251539,6696,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251552,6698,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,direct,,,,,,,,,,,251574,6699,1
H,1,H2O,protons,,,,,ppm,0.00,external,direct,,,,,,,,,,,251574,6699,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.00,external,direct,,,,,,,,,,,251574,6699,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251589,6700,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251589,6700,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251589,6700,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251602,6702,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251602,6702,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251602,6702,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,251618,6705,1
H,1,TMS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,251618,6705,1
N,15,liquid NH3,nitrogen,,,,,ppm,0.0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,251618,6705,1
C,13,DSS,methyl protons,,,,,ppm,0.0,direct,external,0.251449530,,,,,,,,,,251642,6707,1
H,1,DSS,methyl protons,,,,,ppm,0.0,direct,external,1.0,,,,,,,,,,251642,6707,1
N,15,DSS,methyl protons,,,,,ppm,0.0,direct,external,0.101329118,,,,,,,,,,251642,6707,1
C,13,TMPS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,251659,6709,1
H,1,TMPS,methy protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,251659,6709,1
N,15,TMPS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,251659,6709,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251674,6710,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,251674,6710,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251674,6710,1
H,1,water,protons,,,,,ppm,4.75,internal,direct,1.0,,,,,,,,,,251692,6711,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449527,,,,,,,,,,251706,6712,1
H,1,H20,protons,,,,,ppm,4.628,internal,direct,1.0,,,,,,,,,,251706,6712,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,251706,6712,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251721,6713,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,251721,6713,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251721,6713,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,251740,6714,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,,1.0,,,,,,,,,,251759,6715,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,,0.251449530,,,,,,,,,,251759,6715,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,,0.101329118,,,,,,,,,,251759,6715,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,251778,6716,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,251778,6716,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,251778,6716,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,251814,6717,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,251814,6717,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,251814,6717,1
C,13,TMSP,methyl protons,,,,,ppm,0.0,,,0.101329118,,,,,,,,,,251842,6718,1
H,1,TMSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251842,6718,1
N,15,TMSP,methyl protons,,,,,ppm,0.0,,,0.251449530,,,,,,,,,,251842,6718,1
H,1,DSS,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,251865,6719,1
C,13,DSS,methyl protons,,,,,ppm,,,,0.251477594,,,,,,,,,,251865,6719,1
N,15,DSS,methyl protons,,,,,ppm,,,,0.101340619,,,,,,,,,,251865,6719,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,251882,672,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,251904,6720,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251920,6721,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251477594,,,,,,,,,,251920,6721,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101340619,,,,,,,,,,251920,6721,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,251934,6722,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,251934,6722,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251934,6722,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,251967,6723,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,251986,6724,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,251986,6724,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,251986,6724,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252001,6725,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252001,6725,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252001,6725,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252017,6726,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252017,6726,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252017,6726,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,252032,6727,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252032,6727,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,252032,6727,1
C,13,TSP,methyl protons,,,,,ppm,,,,0.25144954,,,,,,,,,,252048,6728,1
H,1,H2O,protons,,,,,ppm,4.76,internal,direct,1.0,internal,spherical,parallel,,,,,,,252048,6728,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252064,6729,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,252080,673,1
H,1,Water,protons,,,,,ppm,4.83,internal,direct,1.0,,,,,,,,,,252090,6730,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252104,6731,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252104,6731,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252104,6731,1
H,1,water,protons,,,,,ppm,4.69,external,direct,1.0,,,,,,,,,,252116,6732,1
N,15,urea,guanidinyl,,,,,ppm,79.6,external,direct,1.0,,,,,,,,,,252116,6732,1
H,1,water,protons,,,,,ppm,4.69,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252134,6733,1
N,15,urea,guanidinyl,,,,,ppm,79.6,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252134,6733,1
H,1,water,protons,,,,,ppm,4.69,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252148,6734,1
N,15,urea,guanidinyl,,,,,ppm,79.6,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252148,6734,1
H,1,water,protons,,,,,ppm,4.69,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252162,6735,1
N,15,urea,guanidinyl,,,,,ppm,79.6,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252162,6735,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,252176,6736,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252176,6736,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,252176,6736,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,,1.0,,,,,,,,,,252192,6737,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,,,,,,,,,,,,252192,6737,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252213,6738,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252213,6738,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252213,6738,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252234,6739,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252234,6739,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252234,6739,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,252247,674,1
C,13,DSS,methyl protons,,,,,ppm,,,,,,,,,,,,,,252266,6740,1
H,1,DSS,methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,252266,6740,1
N,15,DSS,methyl protons,,,,,ppm,,,,0.101329118,,,,,,,,,,252266,6740,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,252289,6741,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252303,6742,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252303,6742,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252303,6742,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.25144952,,,,1,citation_1,,,1,citation_1,252316,6743,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,252316,6743,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.10132905,,,,1,citation_1,,,1,citation_1,252316,6743,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252332,6744,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252332,6744,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252332,6744,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,,,,,,,252332,6744,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252347,6745,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252347,6745,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252347,6745,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,252373,6746,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252373,6746,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252373,6746,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,252404,6747,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252404,6747,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252404,6747,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252416,6748,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,252416,6748,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252416,6748,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,252432,6749,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,252432,6749,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,252432,6749,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252444,6750,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252444,6750,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252444,6750,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252459,6751,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252459,6751,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252459,6751,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252473,6752,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252473,6752,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252473,6752,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252487,6753,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252487,6753,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252487,6753,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252500,6754,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252500,6754,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252500,6754,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,252513,6755,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,252513,6755,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,252513,6755,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252532,6756,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252532,6756,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252532,6756,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252555,6757,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252555,6757,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252588,6758,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252588,6758,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252588,6758,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252608,6759,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252608,6759,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252608,6759,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,252621,676,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252640,6760,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252640,6760,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252640,6760,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252656,6761,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252656,6761,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252656,6761,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,252685,6762,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252685,6762,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252685,6762,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Citation_1,,,1,Citation_1,252705,6763,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,Citation_1,,,1,Citation_1,252705,6763,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,252705,6763,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,pa0128_citation,,,1,pa0128_citation,252736,6766,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,pa0128_citation,,,1,pa0128_citation,252736,6766,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,pa0128_citation,,,1,pa0128_citation,252736,6766,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252765,6769,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252765,6769,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252765,6769,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,252778,677,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,252806,6771,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,252806,6771,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,252806,6771,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,252819,6774,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252819,6774,1
C,13,DSS,methyl carbon,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252833,6775,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252833,6775,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252863,6776,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252863,6776,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252863,6776,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252886,6777,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252886,6777,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252886,6777,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,252905,6778,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252905,6778,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,252922,6779,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252922,6779,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252922,6779,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252935,6780,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252935,6780,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252935,6780,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,252948,6781,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,252948,6781,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,252948,6781,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,252992,6782,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,252992,6782,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,252992,6782,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253005,6783,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253005,6783,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253005,6783,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253030,6784,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253030,6784,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253030,6784,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.2514495223,,,,,,,,3,citations_3,253063,6785,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,3,citations_3,253063,6785,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.10132905212,,,,,,,,3,citations_3,253063,6785,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253085,6786,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253085,6786,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253085,6786,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,253101,6787,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,253101,6787,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,253101,6787,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253127,6788,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253127,6788,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253127,6788,1
H,1,H2O,protons,,,,,ppm,4.725,direct,external,1.0,,,,,,,,,,253144,6789,1
N,15,H2O,protons,,,,,ppm,4.725,indirect,external,0.101329118,,,,,,,,,,253144,6789,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253184,6790,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253184,6790,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253184,6790,1
C,13,Water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,253201,6791,1
H,1,Water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,253201,6791,1
C,13,Water,protons,,,,,ppm,4.7,internal,indirect,,,,,,,,,,,253218,6792,1
H,1,Water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,253218,6792,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253231,6793,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253231,6793,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253231,6793,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253250,6794,1
H,1,water,methyl protons,,,,,ppm,4.808615,,indirect,1.0,,,,,,,,,,253250,6794,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253250,6794,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,,,,,,,253277,6796,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,253277,6796,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,253277,6796,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253292,6797,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253292,6797,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253292,6797,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,indirect,external,0.251449530,,,,,,,,,,253308,6798,1
H,1,DSS,methyl protons,,,,,ppm,0.0,direct,external,1.000000000,,,,,,,,,,253308,6798,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,253320,6799,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,253320,6799,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,253320,6799,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,253333,68,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253348,6800,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253348,6800,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253348,6800,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253374,6801,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253374,6801,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253374,6801,1
H,1,TSP,methyl protons,,,,,ppm,0.0,direct,internal,1.0,,,,1,entry_citation,,,1,entry_citation,253388,6802,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,253400,6803,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,253400,6803,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,253400,6803,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253417,6804,1
H,1,H2O,protons,,,,,ppm,4.753,internal,direct,1.0,,,,,,,,,,253417,6804,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253417,6804,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253434,6805,1
H,1,H2O,protons,,,,,ppm,4.753,internal,direct,1.0,,,,,,,,,,253434,6805,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253434,6805,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253453,6806,1
H,1,H2O,protons,,,,,ppm,4.753,internal,direct,1.0,,,,,,,,,,253453,6806,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253453,6806,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253469,6807,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,253469,6807,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253469,6807,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253481,6808,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253497,6809,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253497,6809,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253497,6809,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253531,6810,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253531,6810,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253531,6810,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,253553,6811,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253553,6811,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253566,6812,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253566,6812,1
N,15,,,,,,,,,,,,,,,,,,,,,253566,6812,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,253596,6814,1
H,1,DSS,methly protons,,,,,ppm,,,,1.0,,,,,,,,,,253614,6815,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,253639,6816,1
H,1,H2O,protons,,,,,ppm,4.77,internal,direct,1.000000000,,,,,,,,,,253639,6816,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,253639,6816,1
H,1,H2O,,,,,,ppm,4.7,,,1.0,,,,,,,,,,253660,6817,1
H,1,H20,,,,,,ppm,4.7,,,1.0,,,,,,,,,,253677,6818,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,253690,682,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253716,6820,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253716,6820,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253716,6820,1
C,13,dioxane,carbons,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253748,6821,1
H,1,water,protons,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253748,6821,1
N,15,urea,nitrogens,,,,,ppm,,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,253748,6821,1
C,13,DSS,methyl protons,,,,,ppm,2.61,,indirect,0.251449530,,,,,,,,,,253772,6822,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,253772,6822,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,253772,6822,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253807,6823,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253807,6823,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253807,6823,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,253829,6824,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,253829,6824,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,253829,6824,1
H,1,TSP,methyl protons,,,,,ppm,0.0,direct,external,1.0,,,,1,entry_citation,,,1,entry_citation,253844,6825,1
C,13,TMS,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144954,,,,,,,,,,253869,6826,1
H,1,H20,protons,,,,,ppm,4.74,internal,direct,1.0,,,,,,,,,,253869,6826,1
N,15,TMS,methyl protons,,,,,ppm,0.00,internal,indirect,0.1013291444,,,,,,,,,,253869,6826,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253883,6827,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,253898,6828,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,253898,6828,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,253898,6828,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253931,6829,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,253931,6829,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,253931,6829,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253945,6830,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,253945,6830,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,253960,6831,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,253960,6831,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,253984,6832,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,253984,6832,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,253984,6832,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254002,6833,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254002,6833,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254002,6833,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254040,6834,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254040,6834,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254040,6834,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254055,6835,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,254075,6836,1
H,1,H2O,protons,,,,,ppm,4.6388,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,254075,6836,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,254075,6836,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254100,6837,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254100,6837,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254100,6837,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,254145,6838,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,254145,6838,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,254145,6838,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254171,6839,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,254192,6840,1
H,1,H2O,protons,,,,,ppm,,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,254192,6840,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,254192,6840,1
C,13,Urea,,,,,,ppm,,,,,,,,,,,,,,254214,6841,1
H,1,water,,,,,,ppm,,,,,,,,,,,,,,254214,6841,1
N,15,Urea,,,,,,ppm,,,,,,,,,,,,,,254214,6841,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254241,6843,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254241,6843,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254241,6843,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254261,6844,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254261,6844,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254261,6844,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,254286,6845,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,254286,6845,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,254286,6845,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254309,6846,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,254309,6846,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254309,6846,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254321,6847,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254321,6847,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254321,6847,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,,1.0,,,,,,,,,,254336,6849,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254355,6850,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254355,6850,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254355,6850,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254375,6851,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254375,6851,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254375,6851,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254387,6853,1
H,1,Water,protons,,,,,ppm,4.703,internal,direct,1.0,,,,,,Temperature,0.063,,,254387,6853,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254387,6853,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,254410,6854,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254410,6854,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,254410,6854,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,254427,6855,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254427,6855,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,254427,6855,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254444,6856,1
C,13,TPS,methyl protons,,,,,ppm,0,external,indirect,0.25144954,outside sample,,,,,,,,,254468,6857,1
H,1,TPS,methyl protons,,,,,ppm,0,external,indirect,1.0,outside sample,,,,,,,,,254468,6857,1
H,1,water,protons,,,,,ppm,4.8,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254488,6858,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,P2,,,1,P2,254506,6859,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,254536,6860,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254536,6860,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,254536,6860,1
H,1,DSS,methyl protons,,,,,ppm,4.71,internal,indirect,1.0,,,,,,,,,,254551,6861,1
H,1,DSS,methyl protons,,,,,ppm,4.71,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,254568,6862,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Mengovirus_Leader_polypeptide_fragment,,,1,Mengovirus_Leader_polypeptide_fragment,254584,6863,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,Mengovirus_Leader_polypeptide_fragment,,,1,Mengovirus_Leader_polypeptide_fragment,254584,6863,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Mengovirus_Leader_polypeptide_fragment,,,1,Mengovirus_Leader_polypeptide_fragment,254584,6863,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254598,6864,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254598,6864,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254598,6864,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254620,6865,1
H,1,H2O,protons,,,,,ppm,4.92,internal,direct,1.0,,,,,,,,,,254620,6865,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254620,6865,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,254642,6866,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254642,6866,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,254642,6866,1
C,13,water,protons,,,,,ppm,0.0,external,indirect,0.251449486,,,,,,,,,,254669,6867,1
H,1,water,protons,,,,,ppm,,internal,direct,1.0,,,,,,,,,,254669,6867,1
N,15,water,protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,254669,6867,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,,,,,,,254691,6868,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.00,internal,cylindrical,parallel,,,,,,,254691,6868,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,,,,,,,254691,6868,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254722,6869,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254722,6869,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254722,6869,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,254742,6870,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,254742,6870,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,254759,6872,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,254774,6873,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254774,6873,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,254774,6873,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254799,6874,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,254799,6874,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254799,6874,1
C,13,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.25144954,internal,,,,,,,,,254828,6875,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,,,,,,,,,254828,6875,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,254828,6875,1
N,15,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,0.1013291,internal,,,,,,,,,254828,6875,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,254849,6876,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254849,6876,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,254849,6876,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,254866,6877,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,254866,6877,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,254866,6877,1
C,13,DMSO,methyl carbons,,,,,ppm,39.5,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,254879,6878,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,254879,6878,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254900,6879,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,254900,6879,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254900,6879,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.0,,,,,,,,,,254914,6880,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254914,6880,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,254943,6881,1
H,1,water,protons,,,,,ppm,4.74,internal,direct,1.000000000,,,,,,,,,,254943,6881,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,254943,6881,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Interleukin-15_receptor,,,1,Interleukin-15_receptor,254969,6882,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,Interleukin-15_receptor,,,1,Interleukin-15_receptor,254969,6882,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Interleukin-15_receptor,,,1,Interleukin-15_receptor,254969,6882,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.25144952,,,,1,citation_1,,,1,citation_1,254985,6883,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,254985,6883,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.10132905,,,,1,citation_1,,,1,citation_1,254985,6883,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,254999,6884,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,254999,6884,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,254999,6884,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255014,6885,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255014,6885,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255027,6886,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255048,6888,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255048,6888,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255048,6888,1
C,13,DSS,beta carbon,,,,,ppm,43.00,internal,indirect,1.0,,,,,,,,,,255084,6890,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,255084,6890,1
N,15,DSS,nitrogen,,,,,ppm,118.93,internal,indirect,1.0,,,,,,,,,,255084,6890,1
H,1,"2,2-dimethyl-2-silapentane-5-sulfonate",methyl protons,,,,,ppm,,,,1.0,,,,,,,,,,255104,6891,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,,1.0,,,,,,,,,,255125,6892,1
C,13,TSP,,,,,,ppm,,,,,,,,,,,,,,255140,6893,1
H,1,TSP,,,,,,ppm,,,,,,,,,,,,,,255140,6893,1
N,15,TSP,,,,,,ppm,,,,,,,,,,,,,,255140,6893,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255159,6894,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255159,6894,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255159,6894,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255189,6895,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255189,6895,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255189,6895,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,255209,6896,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,255227,6897,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,255247,6898,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255261,6899,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255261,6899,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255261,6899,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255292,6900,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255292,6900,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255292,6900,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255304,6901,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255304,6901,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255304,6901,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255326,6902,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255326,6902,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255342,6903,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255342,6903,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255342,6903,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255361,6904,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255361,6904,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255361,6904,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255378,6905,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255378,6905,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255378,6905,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255394,6906,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255394,6906,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255394,6906,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255407,6907,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255407,6907,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255420,6908,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255420,6908,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255420,6908,1
H,1,Water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,,,,,,,255436,6909,1
N,15,Water,protons,,,,,ppm,4.77,,indirect,0.101329118,,,,,,,,,,255436,6909,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,255451,6910,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255451,6910,1
N,15,Ammonium,nitrogen,,,,,ppm,0.0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,255451,6910,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255467,6911,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255467,6911,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255467,6911,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255481,6912,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,255481,6912,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255481,6912,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255495,6913,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255495,6913,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255495,6913,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255512,6914,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255512,6914,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255512,6914,1
H,1,DSS,methyl protons,,,,,ppm,0.05,internal,direct,1.0,,,,1,ciration_1,,,1,ciration_1,255528,6915,1
N,15,DSS,methyl protons,,,,,ppm,0.1,internal,indirect,0.101329118,,,,1,ciration_1,,,1,ciration_1,255528,6915,1
C,13,DIOXANE,methylene carbons,,,,,ppm,67.80,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255548,6916,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255548,6916,1
N,15,NH4Cl,nitrogen,,,,,ppm,24.93,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255548,6916,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255561,6917,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255561,6917,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255561,6917,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255576,6918,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255576,6918,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255576,6918,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,1,entry_citation,255593,6919,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,1,entry_citation,255593,6919,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,1,entry_citation,255593,6919,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255607,6920,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255607,6920,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255607,6920,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,255622,6921,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,cylindrical,parallel,,,,,,,255622,6921,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,255622,6921,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255635,6922,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255635,6922,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255635,6922,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,255650,6923,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255650,6923,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,255650,6923,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255667,6924,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255680,6925,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255680,6925,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255680,6925,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255692,6926,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255692,6926,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255692,6926,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255705,6927,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255705,6927,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255705,6927,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255723,6928,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255723,6928,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255723,6928,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255742,6929,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255742,6929,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255742,6929,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255758,6930,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255758,6930,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255758,6930,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255770,6932,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255770,6932,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255770,6932,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255789,6933,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255789,6933,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255789,6933,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255804,6934,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255804,6934,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255804,6934,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255819,6935,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255819,6935,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255819,6935,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255837,6936,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,255837,6936,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255837,6936,1
C,13,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,255853,6938,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255853,6938,1
N,15,TSP,methyl protons,,,,,ppm,0,internal,indirect,0.101329144,,,,1,entry_citation,,,1,entry_citation,255853,6938,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,255868,6939,1
H,1,DSS,protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,255868,6939,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,255868,6939,1
C,13,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.251449519,,,,1,entry_citation,,,1,entry_citation,255883,6940,1
H,1,DSS,methyl protons,,,,,ppm,0.000,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255883,6940,1
N,15,DSS,methyl protons,,,,,ppm,0.000,external,indirect,0.101329112,,,,1,entry_citation,,,1,entry_citation,255883,6940,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255899,6941,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255899,6941,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255899,6941,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citations_Myristoylated_NCS-1,,,1,citations_Myristoylated_NCS-1,255913,6942,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citations_Myristoylated_NCS-1,,,1,citations_Myristoylated_NCS-1,255913,6942,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citations_Myristoylated_NCS-1,,,1,citations_Myristoylated_NCS-1,255913,6942,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255927,6943,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255927,6943,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255927,6943,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255944,6944,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255944,6944,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255944,6944,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,255944,6944,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,255957,6945,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255957,6945,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,255957,6945,1
C,13,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,255974,6946,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,255974,6946,1
N,15,TSP,methyl protons,,,,,ppm,0.0,external,indirect,0.10132900,,,,1,entry_citation,,,1,entry_citation,255974,6946,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,255994,6947,1
H,1,H2O,protons,,,,,ppm,4.77,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,255994,6947,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,255994,6947,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,256009,6948,1
H,1,H2O,protons,,,,,ppm,4.77,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,256009,6948,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,256009,6948,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256021,6949,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256021,6949,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256021,6949,1
H,,TSP,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,256034,695,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256046,6950,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256046,6950,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256046,6950,1
H,1,DSS,methyl,,,,,ppm,0,,,1.0,,,,,,,,,,256064,6951,1
H,1,DSS,Methyl,,,,,ppm,0,,,1.0,,,,,,,,,,256082,6952,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256097,6953,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,256097,6953,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256097,6953,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,cylindrical,perpendicular,1,entry_citation,,,1,entry_citation,256111,6954,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,cylindrical,,1,entry_citation,,,1,entry_citation,256129,6955,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,cylindrical,parallel,1,entry_citation,,,1,entry_citation,256129,6955,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,cylindrical,,1,entry_citation,,,1,entry_citation,256129,6955,1
C,13,DSS,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256145,6956,1
H,1,DSS,methyl protons,,,,,ppm,,,,1.0,,,,1,entry_citation,,,1,entry_citation,256145,6956,1
N,15,DSS,methyl protons,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256145,6956,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256167,6957,1
H,1,DSS,methyl protons,,,,,ppm,,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,256167,6957,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256167,6957,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256185,6960,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256185,6960,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256185,6960,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256209,6962,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,256209,6962,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256209,6962,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256222,6963,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256238,6964,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,256238,6964,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256238,6964,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256259,6965,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,256259,6965,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256259,6965,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256276,6966,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256276,6966,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256293,6967,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256293,6967,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,256308,6968,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,256308,6968,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,256308,6968,1
C,13,H2O,protons,,,,,ppm,4.773,external,indirect,,,,,1,citation_1,,,1,citation_1,256321,6969,1
H,1,H2O,protons,,,,,ppm,4.773,internal,indirect,1.0,,,,1,citation_1,,,1,citation_1,256321,6969,1
N,15,H2O,protons,,,,,ppm,4.773,external,indirect,,,,,1,citation_1,,,1,citation_1,256321,6969,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation1,,,1,citation1,256340,6970,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation1,,,1,citation1,256340,6970,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation1,,,1,citation1,256340,6970,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256354,6971,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,256354,6971,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256354,6971,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,256368,6972,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,256368,6972,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,256368,6972,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256382,6973,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,256382,6973,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256382,6973,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256396,6974,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256396,6974,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256396,6974,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256407,6975,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256427,6976,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256427,6976,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256427,6976,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,,1.0,,,,1,entry_citation,,,1,entry_citation,256447,6979,1
P,31,85% H3PO4,phosphorus,,,,,ppm,0.0,external,,1.0,,,,1,entry_citation,,,1,entry_citation,256447,6979,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256464,6980,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256464,6980,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256464,6980,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256475,6981,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256475,6981,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256475,6981,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256493,6982,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256493,6982,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256493,6982,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256511,6983,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256511,6983,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256511,6983,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256526,6984,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256526,6984,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256526,6984,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,256546,6985,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,256546,6985,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,256546,6985,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256562,6986,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256562,6986,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256562,6986,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256580,6987,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256580,6987,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256580,6987,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256594,6988,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256594,6988,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256594,6988,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,256611,6989,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,256624,699,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256640,6990,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,256640,6990,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256640,6990,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.251449520,outside sample,,,,,,,,,256656,6991,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,,,,,,,,256656,6991,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329050,outside sample,,,,,,,,,256656,6991,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256677,6992,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,,,,,,,256677,6992,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256677,6992,1
C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.251449520,outside sample,,,,,,,,,256694,6993,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,,,,,,,,256694,6993,1
N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329050,outside sample,,,,,,,,,256694,6993,1
C,13,TSP,methyl protons,,,,,ppm,,,indirect,0.25144954,,,,1,entry_citation,,,1,entry_citation,256713,6995,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256713,6995,1
N,15,TSP,methyl protons,,,,,ppm,,,indirect,0.10132900,,,,1,entry_citation,,,1,entry_citation,256713,6995,1
13C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.251449520,outside sample,,,,,,,,,256730,6996,1
15N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329050,outside sample,,,,,,,,,256730,6996,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,,,,,,,,256730,6996,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256748,6997,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,indirect,1.0,outside sample,cylindrical,perpendicular,,,,,,,256748,6997,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256748,6997,1
13C,13,TMS,methyl protons,,,,,ppm,0,external,indirect,0.251449520,outside sample,,,,,,,,,256765,6998,1
15N,15,TMS,methyl protons,,,,,ppm,0,external,indirect,0.101329050,outside sample,,,,,,,,,256765,6998,1
H,1,TMS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,,,,,,,,256765,6998,1
C,13,Water,protons,,,,,ppm,4.77,external,indirect,0.2514,,,,1,entry_citation,,,1,entry_citation,256780,6999,1
H,1,Water,protons,,,,,ppm,4.77,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256780,6999,1
N,15,Water,protons,,,,,ppm,4.77,external,indirect,0.101329,,,,1,entry_citation,,,1,entry_citation,256780,6999,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,256793,7,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,256806,700,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256819,7000,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256819,7000,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256819,7000,1
H,1,TSP,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,Publi_1,,,1,Publi_1,256836,7001,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256848,7002,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,256848,7002,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256848,7002,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256860,7003,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256860,7003,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256860,7003,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,256873,7004,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,256873,7004,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,256873,7004,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256896,7005,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,256918,7006,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,256918,7006,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,256918,7006,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.251449530,,,,,,,,,,256940,7007,1
H,1,DSS,methyl protons,,,,,ppm,,external,direct,1.000000000,,,,,,,,,,256940,7007,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,0.101329118,,,,,,,,,,256940,7007,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256962,7008,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256962,7008,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256962,7008,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256984,7009,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256984,7009,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,256984,7009,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257002,7010,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257024,7011,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257024,7011,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257045,7012,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,257045,7012,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257060,7013,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257060,7013,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257060,7013,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,257073,7014,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257073,7014,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,257073,7014,1
C,13,DSS,methyl protons,,,,,ppm,0.0,direct,external,0.251449530,,,,,,,,,,257098,7015,1
H,1,DSS,methyl protons,,,,,ppm,0.0,direct,external,1.0,,,,,,,,,,257098,7015,1
N,15,DSS,methyl protons,,,,,ppm,0.0,direct,external,0.101329118,,,,,,,,,,257098,7015,1
H,1,H2O,protons,,,,,ppm,4.725,direct,external,1.000000000,,,,,,,,,,257118,7016,1
N,15,H2O,protons,,,,,ppm,4.725,indirect,external,0.101329118,,,,,,,,,,257118,7016,1
H,,H2O,protons,,,,,ppm,4.725,direct,external,1.0,,,,,,,,,,257136,7017,1
N,,H2O,protons,,,,,ppm,4.725,indirect,external,0.101329118,,,,,,,,,,257136,7017,1
C,13,DSS,methyl carbon,,,,,ppm,0.0,indirect,external,0.251449530,,,,1,entry_citation,,,1,entry_citation,257153,7018,1
H,1,DSS,methyl protons,,,,,ppm,0.0,direct,external,1.0,,,,1,entry_citation,,,1,entry_citation,257153,7018,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,257166,7019,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257166,7019,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,257166,7019,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257180,7020,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257180,7020,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257180,7020,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257205,7021,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257205,7021,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257205,7021,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,257230,7022,1
H,1,DSS,methylene protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257230,7022,1
N,15,DSS,methylene protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,257230,7022,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257260,7023,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257260,7023,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257260,7023,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257285,7024,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257285,7024,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257285,7024,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation1,,,1,citation1,257301,7025,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation1,,,1,citation1,257301,7025,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation1,,,1,citation1,257301,7025,1
H,1,TSP,methyl protons,,,,,ppm,0.0,direct,internal,1.0,,,,1,entry_citation,,,1,entry_citation,257316,7028,1
H,1,TSP,methyl protons,,,,,ppm,0.0,direct,internal,1.0,,,,1,entry_citation,,,1,entry_citation,257331,7029,1
H,1,TSP,methyl protons,,,,,ppm,0.0,direct,internal,1.0,,,,1,entry_citation,,,1,entry_citation,257346,7030,1
H,1,TSP,methyl protons,,,,,ppm,0.0,direct,internal,1.0,,,,1,entry_citation,,,1,entry_citation,257361,7031,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257388,7032,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257388,7032,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257388,7032,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257413,7033,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257413,7033,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257413,7033,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,257431,7034,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257431,7034,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,257431,7034,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,257448,7035,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257448,7035,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,257448,7035,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257467,7036,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257467,7036,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257467,7036,1
H,,TSP,,,,,,ppm,.01,,,,,,,,,,,,,257482,704,1
H,1,H2O,protons,,,,,ppm,4.61,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257496,7049,1
N,15,H2O,protons,,,,,ppm,4.61,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,257496,7049,1
H,,TSP,,,,,,ppm,.01,,,,,,,,,,,,,257509,705,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257524,7050,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257539,7051,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,E1_fcch,,,1,E1_fcch,257551,7053,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,E1_fcch,,,1,E1_fcch,257551,7053,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,E1_fcch,,,1,E1_fcch,257551,7053,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257570,7054,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257570,7054,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257570,7054,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,257595,7055,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257595,7055,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,257595,7055,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,257611,7056,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,parallel,,,,,,,257611,7056,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,257611,7056,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257636,7057,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,257636,7057,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257636,7057,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257668,7058,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257668,7058,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257668,7058,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,257702,7059,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257702,7059,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,257702,7059,1
H,,TSP,,,,,,ppm,.01,,,,,,,,,,,,,257715,706,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,257732,7061,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257732,7061,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,257732,7061,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257766,7063,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,257766,7063,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257766,7063,1
H,1,DSS,methyl protons,,,,,ppm,0.0,,,1.0,,,,,,,,,,257785,7064,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257801,7065,1
H,2,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.153506088,,,,,,,,,,257801,7065,1
C,13,dioxane,methyl carbons,,,,,ppm,69.4,,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,257831,7066,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257831,7066,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,1,entry_citation,,,1,entry_citation,257831,7066,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,257848,7067,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,257848,7067,1
C,13,dioxane,methyl carbons,,,,,ppm,69.4,,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257878,7068,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,257878,7068,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,1,entry_citation,,,1,entry_citation,257878,7068,1
C,13,dioxane,methyl carbons,,,,,ppm,69.4,,direct,1.0,,,,,,,,,,257905,7069,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257905,7069,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,,,,,,,,,,,257905,7069,1
H,,TSP,,,,,,ppm,.01,,,,,,,,,,,,,257918,707,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257935,7070,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257935,7070,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257935,7070,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257957,7071,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257957,7071,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257957,7071,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,257985,7072,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,257985,7072,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,257985,7072,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258000,7073,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,258000,7073,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258000,7073,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258024,7074,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258024,7074,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,258024,7074,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258051,7075,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,258051,7075,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258051,7075,1
H,1,TSP,methyl protons,,,,,ppm,0,external,direct,1.0,,cylindrical,parallel,,,,,,,258068,7078,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,258082,7079,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258082,7079,1
N,15,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,258082,7079,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258114,7080,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258114,7080,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258114,7080,1
C,13,H2O,protons,,,,,ppm,0.0,internal,,0.251449530,,,,,,,,,,258147,7081,1
H,1,H2O,protons,,,,,ppm,4.754,internal,direct,1,,,,,,,,,,258147,7081,1
N,15,H2O,protons,,,,,ppm,0.0,internal,,0.101329118,,,,,,,,,,258147,7081,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258173,7082,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258173,7082,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258173,7082,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258188,7083,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258188,7083,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258188,7083,1
H,1,Water,protons,,,,,ppm,4.7,internal,direct,,,,,,,,,,,258203,7084,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258231,7085,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258231,7085,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258231,7085,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258262,7086,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,258262,7086,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258262,7086,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258276,7087,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258276,7087,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258276,7087,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258293,7088,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258293,7088,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258293,7088,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,258317,7089,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,258317,7089,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,258317,7089,1
C,13,methanol,methyl carbon,,,,,ppm,49.30,external,indirect,1.0,,,,,,,,,,258330,7090,1
H,1,TSP,protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,258330,7090,1
N,15,ammonium chloride,nitrogen,,,,,ppm,24.93,external,indirect,1.0,,,,,,,,,,258330,7090,1
P,31,phosphoric acid,phosphorus,,,,,ppm,0.00,external,indirect,1.0,,,,,,,,,,258330,7090,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258342,7091,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258342,7091,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258342,7091,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258355,7092,1
C,13,DSS,methyl carbons,,,,,ppm,0,internal,indirect,1.0,,,,1,paper_mMjCM,,,1,paper_mMjCM,258373,7093,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,paper_mMjCM,,,1,paper_mMjCM,258373,7093,1
N,15,DSS,nitrogen,,,,,ppm,0,internal,indirect,1.0,,,,1,paper_mMjCM,,,1,paper_mMjCM,258373,7093,1
H,1,dioxane,methyl protons,,,,,ppm,3.75,internal,direct,1.0,,,,,,,,,,258387,7094,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258387,7094,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,258411,7095,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,258411,7095,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,258411,7095,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,258432,7097,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258432,7097,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,258432,7097,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258462,7098,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258462,7098,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258462,7098,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258484,7099,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,indirect,1.0,,,,,,,,,,258484,7099,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258484,7099,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258504,7101,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258504,7101,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258504,7101,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258524,7102,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258524,7102,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258524,7102,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258536,7103,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258536,7103,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258536,7103,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258550,7104,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258550,7104,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258565,7105,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,258565,7105,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258565,7105,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258590,7106,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258590,7106,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258590,7106,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,258603,7107,1
H,1,DSS,methyl protons,,,,,ppm,,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258603,7107,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,258603,7107,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258616,7108,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258616,7108,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258616,7108,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258629,7109,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258629,7109,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258629,7109,1
H,1,DSS,protons,,,,,ppm,4.79,internal,direct,1.0,,,,,,,,,,258643,7110,1
C,13,adamantane,methylene carbons,,,,,ppm,40.48,external,direct,1.0,,,,,,,,,,258663,7111,1
N,15,DSS,methyl carbons,,,,,ppm,0.0,external,indirect,0.402979946,,,,,,,,,,258663,7111,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,258680,7112,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,258680,7112,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,258680,7112,1
C,13,Water,protons,,,,,ppm,4.83,internal,indirect,0.25144952,,,,,,,,,,258698,7113,1
H,1,Water,protons,,,,,ppm,4.83,internal,direct,1.0,,,,,,,,,,258698,7113,1
N,15,Water,protons,,,,,ppm,4.83,internal,indirect,0.10132905,,,,,,,,,,258698,7113,1
H,1,H2O,protons,,,,,ppm,4.724,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258713,7114,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,258727,7115,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,258727,7115,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,258727,7115,1
C,13,DSS,methyl protons,,,,,ppm,2.61,,indirect,0.251449530,,,,,,,,,,258746,7116,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,258746,7116,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258746,7116,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258760,7117,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258760,7117,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258760,7117,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,258780,7118,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,258780,7118,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,258780,7118,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258797,7119,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258797,7119,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258797,7119,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258817,7120,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258817,7120,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258817,7120,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,258837,7121,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,258837,7121,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,258837,7121,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258856,7122,1
H,1,H2O,protons,,,,,ppm,4.73,internal,direct,1.0,,,internal,1,entry_citation,,,1,entry_citation,258856,7122,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258856,7122,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation1,,,1,citation1,258869,7123,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258886,7124,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258886,7124,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258886,7124,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258902,7125,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258902,7125,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258902,7125,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,258924,7126,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,258924,7126,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,258924,7126,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258955,7127,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258955,7127,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258955,7127,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,258973,7128,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,258973,7128,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,258973,7128,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Solution_Structure,,,1,Solution_Structure,258990,7129,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,Solution_Structure,,,1,Solution_Structure,258990,7129,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Solution_Structure,,,1,Solution_Structure,258990,7129,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259002,7130,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259002,7130,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259002,7130,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259020,7131,1
H,1,DSS,methyl protons,,,,,ppm,0,external,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,259020,7131,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259020,7131,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259033,7132,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259033,7132,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259033,7132,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259047,7133,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259047,7133,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259047,7133,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259063,7134,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259063,7134,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259063,7134,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,259077,7135,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259077,7135,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,259091,7136,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259091,7136,1
C,13,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259107,7137,1
H,1,TMS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259107,7137,1
N,15,TMS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259107,7137,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259128,7139,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259128,7139,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259128,7139,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259152,7140,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259152,7140,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259152,7140,1
C,13,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259166,7141,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,259166,7141,1
N,15,DSS,methyl protons,,,,,ppm,0.00,n/a,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259166,7141,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259178,7142,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259178,7142,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259178,7142,1
H,1,water,protons,,,,,ppm,4.65,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259189,7144,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.25144952,,,,1,entry_citation,,,1,entry_citation,259203,7147,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259203,7147,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.10132905,,,,1,entry_citation,,,1,entry_citation,259203,7147,1
H,1,dioxane,methylene protons,,,,,ppm,3.743,internal,direct,1.0,,,,1,1,,,1,1,259217,7149,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,1,,,1,1,259217,7149,1
C,13,DSS,protons,,,,,ppm,0,,indirect,0.251449530,,,,2,referencing_citation,,,,,259238,7150,1
H,1,H2O,protons,,,,,ppm,4.766,internal,direct,1.0,,,,,,,,,,259238,7150,1
N,15,DSS,protons,,,,,ppm,0,,indirect,0.101329118,,,,2,referencing_citation,,,,,259238,7150,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,259256,7151,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,citation_1,,,1,citation_1,259256,7151,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,259256,7151,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259266,7152,1
H,1,DSS,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259281,7153,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259296,7154,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259308,7155,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259324,7156,1
H,1,TSP,methyl protons,,,,,ppm,0.00,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259339,7157,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259362,7158,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259362,7158,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259362,7158,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259376,7159,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259390,7160,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259403,7161,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259403,7161,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259403,7161,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259419,7162,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259419,7162,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259419,7162,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,259434,7165,1
H,1,H2O,protons,,,,,ppm,4.771,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,259434,7165,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,259434,7165,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259447,7166,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259464,7167,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259464,7167,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259464,7167,1
H,1,DMPC,protons,,,,,ppm,0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,259478,7168,1
H,1,DMPC,protons,,,,,ppm,0,internal,direct,,,,,1,entry_citation,,,1,entry_citation,259493,7169,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259513,7170,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259513,7170,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259513,7170,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259530,7171,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259543,7172,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259543,7172,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259543,7172,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259555,7173,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259570,7174,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259570,7174,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259570,7174,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259586,7175,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259586,7175,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259586,7175,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259598,7176,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,259616,7177,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259639,7178,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259639,7178,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259639,7178,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,259655,7179,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,259655,7179,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,259655,7179,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259674,7180,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259674,7180,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259674,7180,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259694,7181,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259694,7181,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259694,7181,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259713,7182,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259713,7182,1
C,13,H2O,protons,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,259731,7184,1
H,1,H2O,protons,,,,,ppm,4.81616,internal,direct,1.0,,,,,,,,,,259731,7184,1
N,15,H2O,protons,,,,,ppm,,internal,indirect,0.251449530,,,,,,,,,,259731,7184,1
C,13,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259747,7185,1
H,1,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259747,7185,1
N,15,,,,,,,ppm,,,,,,,,1,entry_citation,,,1,entry_citation,259747,7185,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,259766,7186,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259787,7187,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259787,7187,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259787,7187,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Urea_Im7,,,1,Urea_Im7,259800,7188,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,Urea_Im7,,,1,Urea_Im7,259800,7188,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Urea_Im7,,,1,Urea_Im7,259800,7188,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,1,Urea_Im7,,,1,Urea_Im7,259800,7188,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259816,7189,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259816,7189,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259816,7189,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,259834,7190,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,259834,7190,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,,,,,,,,,,,259834,7190,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259855,7191,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259855,7191,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259855,7191,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259870,7192,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259870,7192,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259870,7192,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259884,7193,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259884,7193,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259884,7193,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259909,7194,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259909,7194,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259909,7194,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,259926,7196,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259926,7196,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259942,7199,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259942,7199,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,259958,7200,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259958,7200,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,259974,7201,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,259974,7201,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,259974,7201,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,259994,7202,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,259994,7202,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,259994,7202,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260019,7203,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260019,7203,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260019,7203,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260044,7204,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260044,7204,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260044,7204,1
C,13,water,protons,,,,,ppm,4.65,indirect,indirect,0.251449530,,,,,,,,,,260075,7205,1
H,1,water,protons,,,,,ppm,4.65,direct,direct,1.0,,,,,,,,,,260075,7205,1
N,15,water,protons,,,,,ppm,4.65,indirect,indirect,0.101329118,,,,,,,,,,260075,7205,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,260104,7206,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,260104,7206,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260104,7206,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citations_1,,,1,citations_1,260129,7207,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citations_1,,,1,citations_1,260129,7207,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citations_1,,,1,citations_1,260129,7207,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,260147,7208,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260147,7208,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260147,7208,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260179,7209,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260179,7209,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260179,7209,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Citation_1,,,1,Citation_1,260210,7210,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,Citation_1,,,1,Citation_1,260210,7210,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,260210,7210,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,260233,7211,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,260233,7211,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260254,7212,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260276,7213,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260298,7214,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260320,7215,1
C,13,H2O,protons,,,,,ppm,4.806,internal,indirect,0.25144952,,,,1,citation_1,,,1,citation_1,260341,7216,1
H,1,H20,protons,,,,,ppm,4.806,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,260341,7216,1
N,15,H2O,protons,,,,,ppm,4.806,internal,indirect,0.10132905,,,,1,citation_1,,,1,citation_1,260341,7216,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260364,7218,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260364,7218,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260364,7218,1
P,31,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.404808636,,,,1,entry_citation,,,1,entry_citation,260364,7218,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260401,7219,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260401,7219,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260401,7219,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,260427,7220,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260427,7220,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260427,7220,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260459,7221,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260459,7221,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260501,7222,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260501,7222,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,260544,7223,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260544,7223,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260544,7223,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260569,7224,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,260569,7224,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260569,7224,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,260605,7225,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260605,7225,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260605,7225,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260629,7226,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260629,7226,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260629,7226,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,260654,7227,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260654,7227,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260654,7227,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,260680,7228,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260680,7228,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,260680,7228,1
C,13,DSS,methyl protons,,,,,ppm,,external,indirect,0.251449530,,,,,,,,,,260703,7229,1
H,1,DSS,methyl protons,,,,,ppm,,external,direct,1.000000000,,,,,,,,,,260703,7229,1
N,15,DSS,methyl protons,,,,,ppm,,external,indirect,0.101329118,,,,,,,,,,260703,7229,1
H,1,H2O,protons,,,,,ppm,4.788,internal,direct,1.0,internal,cylindrical,perpendicular,1,entry_citation,,,1,entry_citation,260722,7230,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,260744,7231,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,260744,7231,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,260744,7231,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260765,7232,1
H,1,water,protons,,,,,ppm,4.63,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,260790,7233,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,260824,7234,1
F,19,trichlorofluoromethane,methyl fluorine,,,,,ppm,0,,indirect,0.94094008,,,,1,citation_1,,,1,citation_1,260824,7234,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,260824,7234,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,260824,7234,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,260848,7235,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,260848,7235,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,260848,7235,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,1,Citation_1,,,1,Citation_1,260868,7236,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,Citation_1,,,1,Citation_1,260868,7236,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,260868,7236,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,1,Citation_1,,,1,Citation_1,260888,7237,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,Citation_1,,,1,Citation_1,260888,7237,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,260888,7237,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,1,Citation_1,,,1,Citation_1,260908,7238,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,Citation_1,,,1,Citation_1,260908,7238,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,260908,7238,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.25144953,,,,1,Citation_1,,,1,Citation_1,260928,7239,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,1,Citation_1,,,1,Citation_1,260928,7239,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,260928,7239,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,260957,7240,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,citation_1,,,1,citation_1,260957,7240,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,260957,7240,1
C,13,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,Citation_1,,,1,Citation_1,260973,7241,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,Citation_1,,,1,Citation_1,260973,7241,1
N,15,TSP,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,Citation_1,,,1,Citation_1,260973,7241,1
H,1,H2O,protons,,,,,ppm,4.74,internal,direct,1.0,,,,,,,,,,261001,7242,1
C,13,DSS,methyl protons,,,,,ppm,,,,0.251449530,,,,1,entry_citation,,,1,entry_citation,261021,7243,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261021,7243,1
N,15,DSS,methyl protons,,,,,ppm,,,,0.101329118,,,,1,entry_citation,,,1,entry_citation,261021,7243,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261035,7244,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261035,7244,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261035,7244,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261057,7245,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261057,7245,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261057,7245,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261077,7246,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261077,7246,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261077,7246,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261106,7247,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261106,7247,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261106,7247,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261126,7248,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,261126,7248,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261126,7248,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261154,7249,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261154,7249,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261154,7249,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261172,7250,1
H,1,H2O,protons,,,,,ppm,4.706,internal,direct,1.0,,,,,,,,,,261172,7250,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261172,7250,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,261190,7251,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,261208,7252,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,261226,7253,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,261244,7254,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,261262,7255,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261288,7256,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261288,7256,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261288,7256,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261309,7257,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261309,7257,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261309,7257,1
H,1,TFE,methylene protons,,,,,ppm,3.95,internal,direct,1.0,,,,,,,,,,261325,7258,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261345,7259,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,261345,7259,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261345,7259,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,cylindrical,parallel,,,,,,,261384,7260,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,external,cylindrical,parallel,,,,,,,261384,7260,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,cylindrical,parallel,,,,,,,261384,7260,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261415,7261,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261415,7261,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261415,7261,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261436,7262,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261436,7262,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261436,7262,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261455,7263,1
C,13,DSS,methyl carbon,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,parallel,,,,,,,261478,7264,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,outside sample,cylindrical,parallel,,,,,,,261478,7264,1
N,15,NH3,nitrogen,,,,,ppm,0,external,indirect,0.101329118,outside sample,cylindrical,parallel,,,,,,,261478,7264,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261503,7266,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261503,7266,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261503,7266,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261516,7268,1
H,1,water,protons,,,,,ppm,4.773,internal,direct,1.0,,,,,,,,,,261516,7268,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261516,7268,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261530,7269,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261530,7269,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261530,7269,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261544,7270,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261544,7270,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261544,7270,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261568,7271,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261568,7271,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261568,7271,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261596,7272,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261596,7272,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261596,7272,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,internal,spherical,parallel,,,,,,,261611,7273,1
C,13,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.251449530,external,cylindrical,parallel,,,,,,,261652,7274,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,external,cylindrical,parallel,,,,,,,261652,7274,1
N,15,DSS,methyl protons,,,,,ppm,0.00,external,indirect,0.101329118,external,cylindrical,parallel,,,,,,,261652,7274,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261700,7276,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261700,7276,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261700,7276,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261714,7277,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261714,7277,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261728,7278,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261728,7278,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,261743,7279,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261743,7279,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,261743,7279,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261757,7280,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261757,7280,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261757,7280,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261780,7281,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261795,7282,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261795,7282,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261809,7283,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261823,7284,1
C,13,DSS,methyl protons,,,,,ppm,0,,indirect,0.251449530,,,,,,,,,,261849,7285,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,261849,7285,1
N,15,DSS,methyl protons,,,,,ppm,0,,indirect,0.101329118,,,,,,,,,,261849,7285,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261878,7286,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261878,7286,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261878,7286,1
C,13,H2O,protons,,,,,ppm,,,,0.251449530,,,,1,entry_citation,,,1,entry_citation,261905,7287,1
H,1,H2O,protons,,,,,ppm,4.81,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,261905,7287,1
N,15,H2O,protons,,,,,ppm,,,,0.101329118,,,,1,entry_citation,,,1,entry_citation,261905,7287,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,261925,7288,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261925,7288,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,261925,7288,1
H,1,Trifuoroethanol,methylene protons,,,,,ppm,3.95,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261946,7289,1
H,1,Trifluoroethanol,methylene protons,,,,,ppm,3.95,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,261963,7290,1
H,1,H2O,protons,,,,,ppm,4.774,internal,direct,1.0,internal,spherical,perpendicular,,,,,,,261987,7291,1
C,13,water,protons,,,,,ppm,,internal,indirect,0.251449530,,,,,,,,,,262008,7292,1
H,1,water,protons,,,,,ppm,4.70,internal,direct,1.0,,,,,,,,,,262008,7292,1
N,15,water,protons,,,,,ppm,,internal,indirect,0.101329118,,,,,,,,,,262008,7292,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,1,,,1,1,262029,7293,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,1,,,1,1,262029,7293,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,1,,,1,1,262029,7293,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262055,7294,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262055,7294,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262080,7295,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,indirect,1.0,,,,1,entry_citation,,,1,entry_citation,262102,7296,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262127,7297,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,262127,7297,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262127,7297,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262152,7298,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262152,7298,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262152,7298,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262170,7299,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262194,7300,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262194,7300,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262194,7300,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262217,7301,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262217,7301,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262217,7301,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262232,7302,1
H,1,TSP,methyl protons,,,,,ppm,0.0,internal,indirect,1.0,,,,,,,,,,262232,7302,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262232,7302,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262247,7303,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,262247,7303,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262247,7303,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,262260,7304,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,262274,7305,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,1,entry_citation,,,1,entry_citation,262290,7306,1
C,13,H2O,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,1,1,temperature,,1,1,262307,7307,1
H,1,H2O,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,1,1,temperature,,1,1,262307,7307,1
N,15,H2O,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,1,1,temperature,,1,1,262307,7307,1
C,13,H2O,protons,,,,,ppm,4.7,internal,indirect,0.251449530,,,,,,temperature,,,,262333,7308,1
H,1,H2O,protons,,,,,ppm,4.7,internal,direct,1.000000000,,,,,,temperature,,,,262333,7308,1
N,15,H2O,protons,,,,,ppm,4.7,internal,indirect,0.101329118,,,,,,temperature,,,,262333,7308,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,,,,,,,262348,7309,1
H,1,H2O,protons,,,,,ppm,4.706,internal,direct,1.0,,spherical,parallel,,,,,,,262348,7309,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,262348,7309,1
C,13,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,1,reference_citation,,,1,reference_citation,262361,7310,1
H,1,DSS,methyl carbons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,reference_citation,,,1,reference_citation,262361,7310,1
N,15,DSS,methyl carbons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,1,reference_citation,,,1,reference_citation,262361,7310,1
C,13,water,protons,,,,,ppm,46,internal,indirect,0.2514598,,,,,,,,,,262380,7311,1
H,1,water,protons,,,,,ppm,4.96,internal,direct,1.0000000,,,,,,,,,,262380,7311,1
N,15,water,protons,,,,,ppm,120,internal,indirect,0.1013407,,,,,,,,,,262380,7311,1
C,13,DSS,methyl protons,,,,,ppm,0.044,,indirect,0.25144953,,,,,,,,,,262411,7312,1
H,1,DSS,methyl protons,,,,,ppm,0.036,internal,direct,1.0,,,,,,,,,,262411,7312,1
N,15,DSS,methyl protons,,,,,ppm,2.7,,indirect,0.101329118,,,,,,,,,,262411,7312,1
C,13,Water,protons,,,,,ppm,4.7,internal,indirect,0.25144,in sample,,,1,entry_citation,temperature,,1,entry_citation,262441,7313,1
H,1,TSP,methyl protons,,,,,ppm,0.0,external,indirect,1.00000,in sample,,,1,entry_citation,,,1,entry_citation,262441,7313,1
N,15,Water,protons,,,,,ppm,4.7,internal,indirect,0.10132,in sample,,,1,entry_citation,temperature,,1,entry_citation,262441,7313,1
1H,1,L11,protons,,,,,ppm,0.01,internal,indirect,,,,,,,,,,,262461,7314,1
1H,1,L11,protons,,,,,ppm,0.01,internal,indirect,,,,,1,entry_citation,,,1,entry_citation,262482,7315,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,262500,7316,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,262500,7316,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,262500,7316,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,262518,7317,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,262518,7317,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,262518,7317,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,262534,7318,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,262534,7318,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,262534,7318,1
C,13,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.251449530,,,,,,,,,,262556,7319,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262556,7319,1
N,15,DSS,methyl protons,,,,,ppm,0.0,internal,indirect,0.101329118,,,,,,,,,,262556,7319,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262571,7320,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262571,7320,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262571,7320,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262589,7321,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,,,,,,,262589,7321,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262589,7321,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,citation_1,,,1,citation_1,262603,7322,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,citation_1,,,1,citation_1,262603,7322,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,citation_1,,,1,citation_1,262603,7322,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262617,7323,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262617,7323,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262617,7323,1
C,13,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.251449530,,,,,,,,,,262648,7324,1
H,1,DSS,methyl protons,,,,,ppm,0.0,external,direct,1.0,,,,,,,,,,262648,7324,1
N,15,DSS,methyl protons,,,,,ppm,0.0,external,indirect,0.101329118,,,,,,,,,,262648,7324,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262662,7325,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262662,7325,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262662,7325,1
C,13,DSS,methyl protons,,,,,ppm,0.0,indirect,na,0.251449530,,,,1,entry_citation,,,1,entry_citation,262675,7326,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262675,7326,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262692,7327,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262692,7327,1
,,,,,,,,,,,,1,,,,1,citations,,,1,citations,262709,7330,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,262729,7339,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,262729,7339,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,262729,7339,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262745,7340,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262745,7340,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262745,7340,1
H,1,DSS,methyl protons,,,,,ppm,,,,1.000000000,,,,1,citations,,,1,citations,262760,7341,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,262778,7342,1
,,,,,,,,,,,,1,,,,1,citations,,,1,citations,262794,7349,1
,,,,,,,,,,,,1,,,,1,citations,,,1,citations,262810,7350,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,1,citations,,,1,citations,262826,7351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,262826,7351,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,1,citations,,,1,citations,262826,7351,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,1,citations,,,1,citations,262844,7352,1
C,13,,,,,,,ppm,0,internal,,,,,,,,,,,,262862,7354,1
H,1,,,,,,,ppm,0,internal,,,,,,,,,,,,262862,7354,1
N,15,,,,,,,ppm,0,internal,,,,,,,,,,,,262862,7354,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262878,7356,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262878,7356,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262878,7356,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262894,7357,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262894,7357,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262894,7357,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,262907,7358,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,262907,7358,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,262907,7358,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262934,7359,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262934,7359,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262934,7359,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,262947,736,1
C,13,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.251449530,,,,,,,,,,262974,7360,1
H,1,DSS,methyl protons,,,,,ppm,0.0,internal,direct,1.0,,,,,,,,,,262974,7360,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,262974,7360,1
C,13,TSP,methyl carbons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,262994,7361,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.0,,,,,,,,,,262994,7361,1
,,,,,,,,,,,,1,,,,1,citations,,,1,citations,263028,7364,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,263046,7365,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.000000000,,,,,,,,,,263046,7365,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,263046,7365,1
H,1,water,protons,,,,,ppm,4.704,internal,direct,1.000000000,,,,,,,,,,263100,7370,1
N,15,DSS,methyl protons,,,,,ppm,0.0,,indirect,0.101329118,,,,,,,,,,263100,7370,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263122,7371,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263122,7371,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263122,7371,1
C,13,dioxane,methylene carbons,,,,,ppm,69.46,external,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,263139,7375,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,263139,7375,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,263139,7375,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263160,7376,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263160,7376,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263160,7376,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,263182,7377,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,263182,7377,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,263807,7424,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,263182,7377,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263201,7381,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263201,7381,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263201,7381,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,citations,,,1,citations,263218,7382,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,1,citations,,,1,citations,263218,7382,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,citations,,,1,citations,263218,7382,1
C,13,DSS,methyl protons,,,,,ppm,0,external,indirect,0.251449530,,,,1,citations,,,1,citations,263235,7383,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.000000000,,,,1,citations,,,1,citations,263235,7383,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,1,citations,,,1,citations,263235,7383,1
C,13,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,,,,,1,citations,,,1,citations,263256,7386,1
H,1,TSP,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,263256,7386,1
N,15,DSS,methyl protons,,,,,ppm,0.00,internal,indirect,0.101329118,,,,1,citations,,,1,citations,263256,7386,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,263273,7387,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,263288,7388,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,citations,,,1,citations,263304,7389,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263331,7390,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263331,7390,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,1,entry_citation,,,1,entry_citation,263346,7391,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,1,entry_citation,,,1,entry_citation,263346,7391,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,1,entry_citation,,,1,entry_citation,263346,7391,1
,,,,,,,,,,,,1,,,,1,citations,,,1,citations,263380,7396,1
C,13,H2O,protons,,,,,ppm,,,,,,,,,,,,,,263408,7401,1
H,1,H2O,protons,,,,,ppm,,,,1.0,,,,,,,,,,263408,7401,1
N,15,H2O,protons,,,,,ppm,,,,,,,,,,,,,,263408,7401,1
H,1,H2O,hydroxyl protons,,,,,ppm,4.60,internal,direct,1.000000000,,,,,,,,,,263427,7402,1
C,13,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.251449530,,,,,,,,,,263455,7406,1
H,1,DSS,methyl protons,,,,,ppm,0,internal,direct,1.0,,,,,,,,,,263455,7406,1
N,15,DSS,methyl protons,,,,,ppm,0,internal,indirect,0.101329118,,,,,,,,,,263455,7406,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263472,7407,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263472,7407,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263472,7407,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263487,7408,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263487,7408,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263502,7409,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263502,7409,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263517,7410,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263517,7410,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263532,7411,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263532,7411,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263547,7412,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263547,7412,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263562,7413,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263562,7413,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263579,7414,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263579,7414,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263579,7414,1
C,13,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.251449530,,,,,,,,,,263624,7415,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263624,7415,1
N,15,DSS,methyl protons,,,,,ppm,0.00,,indirect,0.101329118,,,,,,,,,,263624,7415,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,263648,7416,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,263648,7416,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,263648,7416,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,263671,7417,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,263671,7417,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,263671,7417,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,263694,7418,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,263694,7418,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,263694,7418,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,263711,7419,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,263711,7419,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,263711,7419,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,263726,7420,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,263726,7420,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,263726,7420,1
C,13,,,,,,,ppm,,,,,,,,,,,,,,263741,7421,1
H,1,,,,,,,ppm,,,,,,,,,,,,,,263741,7421,1
N,15,,,,,,,ppm,,,,,,,,,,,,,,263741,7421,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263759,7422,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,263782,7423,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,263782,7423,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,263782,7423,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,263807,7424,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,263807,7424,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264775,932,1
C,13,dioxane,methyl carbon,,,,,ppm,69.46,external,direct,1.0,,,,,,,,,,263832,7425,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,263832,7425,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,263832,7425,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,263848,7426,1
H,1,water,protons,,,,,ppm,4.7,internal,direct,1.0,,,,,,,,,,263863,7427,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263878,7428,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263878,7428,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263878,7428,1
H,1,DSS,methyl protons,,,,,ppm,0,external,direct,1.0,,,,,,,,,,263894,7429,1
N,15,DSS,methyl protons,,,,,ppm,0,external,indirect,0.101329118,,,,,,,,,,263894,7429,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263916,7430,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263916,7430,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263916,7430,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263934,7432,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263934,7432,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263934,7432,1
C,13,water,protons,,,,,ppm,4.77,internal,indirect,0.25144953,,,,,,,,,,263958,7433,1
H,1,water,protons,,,,,ppm,4.77,internal,direct,1.00000000,,,,,,,,,,263958,7433,1
N,15,water,protons,,,,,ppm,4.77,internal,indirect,0.10132911,,,,,,,,,,263958,7433,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263974,7434,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263974,7434,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263974,7434,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,263991,7435,1
H,1,DSS,methyl protons,,,,,ppm,0.00,internal,direct,1.000000000,,,,,,,,,,263991,7435,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,263991,7435,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264004,749,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264017,750,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,264030,753,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264043,754,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,264058,758,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,264073,759,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264086,76,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,264101,760,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,264116,761,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264130,779,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264143,780,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264156,781,1
H,,p-dioxane,,,,,,ppm,3.74,,,,,,,1,entry_citation,,,1,entry_citation,264169,79,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264182,791,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264193,8,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264206,80,1
C,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264219,81,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264219,81,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264232,810,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264246,811,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264260,812,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264274,813,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264288,814,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,264301,821,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,264314,822,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264327,823,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264340,824,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264354,846,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264367,848,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264380,849,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,264395,86,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264409,862,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264424,87,1
C,,TMS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264440,877,1
C,,TMS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264456,878,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264469,88,1
H,,p-dioxane,,,,,,ppm,3.76,,,,,,,1,entry_citation,,,1,entry_citation,264482,883,1
H,,p-dioxane,,,,,,ppm,3.76,,,,,,,1,entry_citation,,,1,entry_citation,264495,884,1
C,,p-dioxane,,,,,,ppm,67.4,,,,,,,,,,,,,264508,887,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,264535,893,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264547,9,1
H,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264560,90,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264573,907,1
C,,TMS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264586,908,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,264599,909,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,264612,910,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,264625,911,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,264638,912,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,264651,913,1
C,,TMS,,,,,,ppm,0,,,,,,,,,,,,,264664,914,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,264677,915,1
N,,liquid ammonia,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,264677,915,1
H,,TSP,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,264690,916,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,264703,918,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,264716,919,1
H,,TSP,,,,,,ppm,0,,,,,,,,,,,,,264729,920,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,264746,922,1
H,1,DSS,methyl protons,,,,,ppm,0,,,,,,,,,,,,,264762,923,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,264802,936,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,264815,937,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,264828,939,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264841,94,1
H,,H2O/HDO,,,,,,ppm,4.75,,,,,,,1,entry_citation,,,1,entry_citation,264854,940,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264870,944,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,264883,945,1
C,,CS2,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264899,946,1
C,,CS2,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264915,947,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264931,948,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264947,949,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,264960,95,1
C,13,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.251449530,,,,,,,,,,264981,9500,1
H,1,DSS,methyl protons,,,,,ppm,0.00,na,indirect,1.000000000,,,,,,,,,,264981,9500,1
N,15,DSS,methyl protons,,,,,ppm,0.00,na,indirect,0.101329118,,,,,,,,,,264981,9500,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,264994,956,1
H,,DSS,,,,,,ppm,0,,,,,,,,,,,,,265007,957,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265019,96,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265032,960,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265045,961,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265058,962,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265071,963,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265084,964,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265097,965,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265110,966,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265123,967,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265138,968,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265138,968,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265153,969,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265153,969,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265167,97,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265183,970,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265183,970,1
H,,DSS,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265198,971,1
N,,liquid NH3,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265198,971,1
H,,DSS,,,,,,,0,,,,,,,1,entry_citation,,,1,entry_citation,265211,975,1
H,,TSP,,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265224,979,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265237,994,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265250,995,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265263,996,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265276,997,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265289,998,1
H,,DSS,CH3,,,,,ppm,0,,,,,,,1,entry_citation,,,1,entry_citation,265302,999,1