data_25339 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone amide assignments for human Cyclophilin C with saturating concentrations of the model peptide GSFGPDLRAGD ; _BMRB_accession_number 25339 _BMRB_flat_file_name bmr25339.str _Entry_type original _Submission_date 2014-11-13 _Accession_date 2014-11-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holliday Michael J. . 2 Camilloni Carlo . . 3 Armstrong Geoffrey S. . 4 Isern Nancy G. . 5 Zhang Fengli . . 6 Vendruscolo Michele . . 7 Eisenmesser Elan Z. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 175 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-21 update BMRB 'update entry citation' 2014-12-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25336 GeoCyp+peptide 25337 CypA+peptide 25338 CypB+peptide 25340 CypD+peptide 25341 CypC stop_ _Original_release_date 2015-08-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and Dynamics of GeoCyp: A Thermophilic Cyclophilin with a Novel Substrate Binding Mechanism That Functions Efficiently at Low Temperatures ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25923019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holliday Michael J. . 2 Camilloni Carlo . . 3 Armstrong Geoffrey S. . 4 Isern Nancy G. . 5 Zhang Fengli . . 6 Vendruscolo Michele . . 7 Eisenmesser Elan Z. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 54 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3207 _Page_last 3217 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CypC+peptide _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CypC $CypC GSFGPDLRAGD $GSFGPDLRAGD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Peptodyl-Prolyl Isomerization' stop_ _Database_query_date . _Details 'Human Cyclophilin C bound to a model peptide substrate' save_ ######################## # Monomeric polymers # ######################## save_CypC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CypC _Molecular_mass 20515.3 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; GSGAEGFRKRGPSVTAKVFF DVRIGDKDVGRIVIGLFGKV VPKTVENFVALATGEKGYGY KGSKFHRVIKDFMIQGGDIT TGDGTGGVSIYGETFPDENF KLKHYGIGWVSMANAGPDTN GSQFFITLTKPTWLDGKHVV FGKVIDGMTVVHSIELQATD GHDRPLTNCSIINSGKIDVK TPFVVEIADW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 23 GLY 2 24 SER 3 25 GLY 4 26 ALA 5 27 GLU 6 28 GLY 7 29 PHE 8 30 ARG 9 31 LYS 10 32 ARG 11 33 GLY 12 34 PRO 13 35 SER 14 36 VAL 15 37 THR 16 38 ALA 17 39 LYS 18 40 VAL 19 41 PHE 20 42 PHE 21 43 ASP 22 44 VAL 23 45 ARG 24 46 ILE 25 47 GLY 26 48 ASP 27 49 LYS 28 50 ASP 29 51 VAL 30 52 GLY 31 53 ARG 32 54 ILE 33 55 VAL 34 56 ILE 35 57 GLY 36 58 LEU 37 59 PHE 38 60 GLY 39 61 LYS 40 62 VAL 41 63 VAL 42 64 PRO 43 65 LYS 44 66 THR 45 67 VAL 46 68 GLU 47 69 ASN 48 70 PHE 49 71 VAL 50 72 ALA 51 73 LEU 52 74 ALA 53 75 THR 54 76 GLY 55 77 GLU 56 78 LYS 57 79 GLY 58 80 TYR 59 81 GLY 60 82 TYR 61 83 LYS 62 84 GLY 63 85 SER 64 86 LYS 65 87 PHE 66 88 HIS 67 89 ARG 68 90 VAL 69 91 ILE 70 92 LYS 71 93 ASP 72 94 PHE 73 95 MET 74 96 ILE 75 97 GLN 76 98 GLY 77 99 GLY 78 100 ASP 79 101 ILE 80 102 THR 81 103 THR 82 104 GLY 83 105 ASP 84 106 GLY 85 107 THR 86 108 GLY 87 109 GLY 88 110 VAL 89 111 SER 90 112 ILE 91 113 TYR 92 114 GLY 93 115 GLU 94 116 THR 95 117 PHE 96 118 PRO 97 119 ASP 98 120 GLU 99 121 ASN 100 122 PHE 101 123 LYS 102 124 LEU 103 125 LYS 104 126 HIS 105 127 TYR 106 128 GLY 107 129 ILE 108 130 GLY 109 131 TRP 110 132 VAL 111 133 SER 112 134 MET 113 135 ALA 114 136 ASN 115 137 ALA 116 138 GLY 117 139 PRO 118 140 ASP 119 141 THR 120 142 ASN 121 143 GLY 122 144 SER 123 145 GLN 124 146 PHE 125 147 PHE 126 148 ILE 127 149 THR 128 150 LEU 129 151 THR 130 152 LYS 131 153 PRO 132 154 THR 133 155 TRP 134 156 LEU 135 157 ASP 136 158 GLY 137 159 LYS 138 160 HIS 139 161 VAL 140 162 VAL 141 163 PHE 142 164 GLY 143 165 LYS 144 166 VAL 145 167 ILE 146 168 ASP 147 169 GLY 148 170 MET 149 171 THR 150 172 VAL 151 173 VAL 152 174 HIS 153 175 SER 154 176 ILE 155 177 GLU 156 178 LEU 157 179 GLN 158 180 ALA 159 181 THR 160 182 ASP 161 183 GLY 162 184 HIS 163 185 ASP 164 186 ARG 165 187 PRO 166 188 LEU 167 189 THR 168 190 ASN 169 191 CYS 170 192 SER 171 193 ILE 172 194 ILE 173 195 ASN 174 196 SER 175 197 GLY 176 198 LYS 177 199 ILE 178 200 ASP 179 201 VAL 180 202 LYS 181 203 THR 182 204 PRO 183 205 PHE 184 206 VAL 185 207 VAL 186 208 GLU 187 209 ILE 188 210 ALA 189 211 ASP 190 212 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25341 CypC 100.00 190 100.00 100.00 5.51e-132 PDB 2ESL "Human Cyclophilin C In Complex With Cyclosporin A" 100.00 190 100.00 100.00 5.51e-132 DBJ BAF83010 "unnamed protein product [Homo sapiens]" 99.47 212 98.94 99.47 3.52e-130 GB AAB31350 "cyclophilin C [Homo sapiens]" 99.47 212 100.00 100.00 3.25e-131 GB AAH02678 "Peptidylprolyl isomerase C (cyclophilin C) [Homo sapiens]" 99.47 212 100.00 100.00 3.25e-131 GB ABO43038 "peptidylprolyl isomerase C (cyclophilin C) [Homo sapiens]" 99.47 212 100.00 100.00 3.25e-131 GB ADQ32383 "peptidylprolyl isomerase C (cyclophilin C) [synthetic construct]" 99.47 212 100.00 100.00 3.25e-131 GB EAW48878 "peptidylprolyl isomerase C (cyclophilin C), isoform CRA_a [Homo sapiens]" 99.47 212 100.00 100.00 3.25e-131 REF NP_000934 "peptidyl-prolyl cis-trans isomerase C precursor [Homo sapiens]" 99.47 212 100.00 100.00 3.25e-131 REF NP_001180902 "peptidyl-prolyl cis-trans isomerase C precursor [Macaca mulatta]" 99.47 212 97.35 98.94 8.12e-129 REF XP_002815869 "PREDICTED: peptidyl-prolyl cis-trans isomerase C [Pongo abelii]" 99.47 212 97.35 98.94 4.40e-129 REF XP_003310839 "PREDICTED: peptidyl-prolyl cis-trans isomerase C [Pan troglodytes]" 99.47 212 97.88 99.47 8.00e-130 REF XP_003826742 "PREDICTED: peptidyl-prolyl cis-trans isomerase C [Pan paniscus]" 99.47 212 97.88 99.47 8.00e-130 SP P45877 "RecName: Full=Peptidyl-prolyl cis-trans isomerase C; Short=PPIase C; AltName: Full=Cyclophilin C; AltName: Full=Rotamase C" 99.47 212 100.00 100.00 3.25e-131 stop_ save_ save_GSFGPDLRAGD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GSFGPDLRAGD _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence ; GSFGPDLRAGD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PHE 4 GLY 5 PRO 6 ASP 7 LEU 8 ARG 9 ALA 10 GLY 11 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CypC Human 9606 Eukaryota Metazoa . . PPIC $GSFGPDLRAGD . . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $CypC 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 DE3 pET-28 $GSFGPDLRAGD 'recombinant technology' . Escherichia coli BL21 DE3 pET-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CypC-GSFGPDLRAGD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypC 1 mM '[U-13C; U-15N; U-2H]' $GSFGPDLRAGD 6 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Varian . . stop_ loop_ _Task 'Spectrum processing' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CypC-GSFGPDLRAGD save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CypC-GSFGPDLRAGD save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.916 internal direct . . . 1 water N 15 protons ppm 4.916 external indirect . . . 0.10136 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $CypC-GSFGPDLRAGD stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CypC _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 25 3 GLY H H 8.668 . 1 2 25 3 GLY N N 111.502 . 1 3 26 4 ALA H H 8.348 . 1 4 26 4 ALA N N 124.044 . 1 5 27 5 GLU H H 8.494 . 1 6 27 5 GLU N N 119.652 . 1 7 28 6 GLY H H 8.360 . 1 8 28 6 GLY N N 109.311 . 1 9 29 7 PHE H H 8.065 . 1 10 29 7 PHE N N 119.872 . 1 11 30 8 ARG H H 8.167 . 1 12 30 8 ARG N N 122.904 . 1 13 31 9 LYS H H 8.373 . 1 14 31 9 LYS N N 122.827 . 1 15 32 10 ARG H H 8.656 . 1 16 32 10 ARG N N 122.211 . 1 17 33 11 GLY H H 7.692 . 1 18 33 11 GLY N N 108.728 . 1 19 35 13 SER H H 8.196 . 1 20 35 13 SER N N 111.845 . 1 21 36 14 VAL H H 8.975 . 1 22 36 14 VAL N N 127.251 . 1 23 37 15 THR H H 8.530 . 1 24 37 15 THR N N 113.618 . 1 25 38 16 ALA H H 7.790 . 1 26 38 16 ALA N N 123.295 . 1 27 39 17 LYS H H 8.158 . 1 28 39 17 LYS N N 117.879 . 1 29 40 18 VAL H H 8.676 0.0 1 30 40 18 VAL N N 119.012 0.015 1 31 41 19 PHE H H 8.132 0.024 1 32 41 19 PHE N N 120.068 . 1 33 42 20 PHE H H 8.941 . 1 34 42 20 PHE N N 115.625 . 1 35 43 21 ASP H H 9.188 . 1 36 43 21 ASP N N 124.953 . 1 37 44 22 VAL H H 8.816 . 1 38 44 22 VAL N N 123.589 . 1 39 45 23 ARG H H 9.308 . 1 40 45 23 ARG N N 130.724 . 1 41 46 24 ILE H H 8.809 . 1 42 46 24 ILE N N 126.516 . 1 43 47 25 GLY H H 9.292 . 1 44 47 25 GLY N N 119.224 . 1 45 48 26 ASP H H 8.761 . 1 46 48 26 ASP N N 126.429 . 1 47 49 27 LYS H H 7.927 . 1 48 49 27 LYS N N 120.705 . 1 49 50 28 ASP H H 8.896 . 1 50 50 28 ASP N N 127.898 . 1 51 51 29 VAL H H 8.300 . 1 52 51 29 VAL N N 117.949 . 1 53 52 30 GLY H H 7.751 0.001 1 54 52 30 GLY N N 108.096 . 1 55 53 31 ARG H H 8.107 . 1 56 53 31 ARG N N 119.975 . 1 57 54 32 ILE H H 9.418 0.004 1 58 54 32 ILE N N 125.871 . 1 59 55 33 VAL H H 8.748 . 1 60 55 33 VAL N N 125.699 . 1 61 56 34 ILE H H 9.580 . 1 62 56 34 ILE N N 128.753 . 1 63 57 35 GLY H H 9.372 . 1 64 57 35 GLY N N 114.019 . 1 65 58 36 LEU H H 8.206 . 1 66 58 36 LEU N N 123.563 . 1 67 59 37 PHE H H 7.556 . 1 68 59 37 PHE N N 121.962 . 1 69 60 38 GLY H H 7.956 . 1 70 60 38 GLY N N 108.801 . 1 71 61 39 LYS H H 9.191 . 1 72 61 39 LYS N N 116.547 . 1 73 62 40 VAL H H 7.386 . 1 74 62 40 VAL N N 119.619 . 1 75 63 41 VAL H H 7.428 . 1 76 63 41 VAL N N 111.417 . 1 77 65 43 LYS H H 10.783 . 1 78 65 43 LYS N N 121.721 . 1 79 66 44 THR H H 10.174 . 1 80 66 44 THR N N 123.887 . 1 81 67 45 VAL H H 8.835 . 1 82 67 45 VAL N N 124.905 . 1 83 68 46 GLU H H 8.622 . 1 84 68 46 GLU N N 119.725 . 1 85 69 47 ASN H H 7.230 . 1 86 69 47 ASN N N 114.754 . 1 87 70 48 PHE H H 7.419 . 1 88 70 48 PHE N N 119.826 . 1 89 71 49 VAL H H 8.845 . 1 90 71 49 VAL N N 115.936 . 1 91 72 50 ALA H H 7.902 . 1 92 72 50 ALA N N 119.729 . 1 93 73 51 LEU H H 8.323 . 1 94 73 51 LEU N N 120.465 . 1 95 74 52 ALA H H 8.501 . 1 96 74 52 ALA N N 125.684 . 1 97 75 53 THR H H 8.702 . 1 98 75 53 THR N N 106.988 . 1 99 76 54 GLY H H 7.757 . 1 100 76 54 GLY N N 109.446 . 1 101 77 55 GLU H H 8.022 . 1 102 77 55 GLU N N 119.904 . 1 103 78 56 LYS H H 9.215 . 1 104 78 56 LYS N N 117.480 . 1 105 79 57 GLY H H 7.903 . 1 106 79 57 GLY N N 105.660 . 1 107 80 58 TYR H H 6.399 . 1 108 80 58 TYR N N 115.031 . 1 109 81 59 GLY H H 8.651 . 1 110 81 59 GLY N N 105.188 . 1 111 82 60 TYR H H 7.306 . 1 112 82 60 TYR N N 113.892 . 1 113 83 61 LYS H H 8.733 . 1 114 83 61 LYS N N 124.423 . 1 115 84 62 GLY H H 9.268 . 1 116 84 62 GLY N N 117.164 . 1 117 85 63 SER H H 8.298 . 1 118 85 63 SER N N 116.594 . 1 119 86 64 LYS H H 8.547 . 1 120 86 64 LYS N N 114.891 . 1 121 87 65 PHE H H 8.647 . 1 122 87 65 PHE N N 120.646 . 1 123 88 66 HIS H H 7.693 . 1 124 88 66 HIS N N 120.625 . 1 125 89 67 ARG H H 7.079 . 1 126 89 67 ARG N N 123.821 . 1 127 90 68 VAL H H 9.261 . 1 128 90 68 VAL N N 128.367 . 1 129 91 69 ILE H H 8.471 . 1 130 91 69 ILE N N 125.082 . 1 131 92 70 LYS H H 9.036 . 1 132 92 70 LYS N N 129.417 . 1 133 93 71 ASP H H 9.722 . 1 134 93 71 ASP N N 118.419 . 1 135 94 72 PHE H H 8.300 . 1 136 94 72 PHE N N 114.251 . 1 137 95 73 MET H H 8.498 . 1 138 95 73 MET N N 114.816 . 1 139 96 74 ILE H H 7.920 . 1 140 96 74 ILE N N 111.522 . 1 141 97 75 GLN H H 9.047 . 1 142 97 75 GLN N N 125.655 . 1 143 98 76 GLY H H 7.742 . 1 144 98 76 GLY N N 109.783 . 1 145 100 78 ASP H H 10.160 . 1 146 100 78 ASP N N 124.858 . 1 147 102 80 THR H H 7.968 . 1 148 102 80 THR N N 108.860 . 1 149 103 81 THR H H 9.082 0.002 1 150 103 81 THR N N 119.458 . 1 151 104 82 GLY H H 8.527 . 1 152 104 82 GLY N N 107.986 . 1 153 105 83 ASP H H 7.663 . 1 154 105 83 ASP N N 117.344 . 1 155 106 84 GLY H H 9.669 . 1 156 106 84 GLY N N 111.285 . 1 157 107 85 THR H H 8.187 . 1 158 107 85 THR N N 113.451 . 1 159 108 86 GLY H H 8.644 . 1 160 108 86 GLY N N 113.348 . 1 161 109 87 GLY H H 8.274 . 1 162 109 87 GLY N N 107.048 . 1 163 110 88 VAL H H 7.321 . 1 164 110 88 VAL N N 115.919 . 1 165 111 89 SER H H 7.543 . 1 166 111 89 SER N N 115.798 . 1 167 112 90 ILE H H 8.628 . 1 168 112 90 ILE N N 112.117 . 1 169 113 91 TYR H H 7.925 0.0 1 170 113 91 TYR N N 120.170 . 1 171 114 92 GLY H H 7.135 . 1 172 114 92 GLY N N 106.447 . 1 173 115 93 GLU H H 9.264 . 1 174 115 93 GLU N N 123.678 . 1 175 116 94 THR H H 7.402 . 1 176 116 94 THR N N 101.465 . 1 177 117 95 PHE H H 8.870 . 1 178 117 95 PHE N N 116.218 . 1 179 119 97 ASP H H 9.291 . 1 180 119 97 ASP N N 120.361 . 1 181 120 98 GLU H H 9.266 . 1 182 120 98 GLU N N 131.855 . 1 183 121 99 ASN H H 6.981 . 1 184 121 99 ASN N N 106.415 . 1 185 122 100 PHE H H 8.331 . 1 186 122 100 PHE N N 113.134 . 1 187 123 101 LYS H H 8.456 . 1 188 123 101 LYS N N 119.820 . 1 189 124 102 LEU H H 7.858 . 1 190 124 102 LEU N N 114.136 . 1 191 125 103 LYS H H 5.759 . 1 192 125 103 LYS N N 118.507 . 1 193 126 104 HIS H H 9.617 . 1 194 126 104 HIS N N 116.567 . 1 195 127 105 TYR H H 5.997 . 1 196 127 105 TYR N N 116.552 . 1 197 128 106 GLY H H 6.954 0.021 1 198 128 106 GLY N N 100.417 . 1 199 129 107 ILE H H 8.874 . 1 200 129 107 ILE N N 124.390 . 1 201 130 108 GLY H H 9.336 . 1 202 130 108 GLY N N 114.907 . 1 203 131 109 TRP H H 8.337 . 1 204 131 109 TRP N N 123.246 . 1 205 132 110 VAL H H 8.353 . 1 206 132 110 VAL N N 121.302 . 1 207 133 111 SER H H 8.164 . 1 208 133 111 SER N N 121.213 . 1 209 134 112 MET H H 8.591 . 1 210 134 112 MET N N 124.072 . 1 211 135 113 ALA H H 8.320 0.006 1 212 135 113 ALA N N 126.940 . 1 213 137 115 ALA H H 8.576 . 1 214 137 115 ALA N N 123.857 . 1 215 138 116 GLY H H 8.193 . 1 216 138 116 GLY N N 110.770 . 1 217 140 118 ASP H H 8.538 . 1 218 140 118 ASP N N 120.233 . 1 219 141 119 THR H H 10.241 0.005 1 220 141 119 THR N N 110.507 . 1 221 142 120 ASN H H 6.901 . 1 222 142 120 ASN N N 118.269 . 1 223 143 121 GLY H H 9.419 . 1 224 143 121 GLY N N 110.406 . 1 225 144 122 SER H H 8.638 . 1 226 144 122 SER N N 116.590 . 1 227 146 124 PHE H H 8.305 . 1 228 146 124 PHE N N 118.294 . 1 229 147 125 PHE H H 9.996 0.005 1 230 147 125 PHE N N 116.488 . 1 231 148 126 ILE H H 9.075 . 1 232 148 126 ILE N N 117.948 . 1 233 149 127 THR H H 9.529 . 1 234 149 127 THR N N 115.661 . 1 235 150 128 LEU H H 8.411 . 1 236 150 128 LEU N N 121.723 . 1 237 151 129 THR H H 7.681 . 1 238 151 129 THR N N 115.524 . 1 239 152 130 LYS H H 8.129 . 1 240 152 130 LYS N N 121.929 . 1 241 154 132 THR H H 7.695 . 1 242 154 132 THR N N 118.021 . 1 243 155 133 TRP H H 7.252 . 1 244 155 133 TRP N N 117.976 . 1 245 156 134 LEU H H 7.145 . 1 246 156 134 LEU N N 119.216 . 1 247 157 135 ASP H H 7.459 . 1 248 157 135 ASP N N 122.396 . 1 249 158 136 GLY H H 9.607 . 1 250 158 136 GLY N N 111.966 . 1 251 159 137 LYS H H 7.828 . 1 252 159 137 LYS N N 114.696 . 1 253 160 138 HIS H H 7.347 . 1 254 160 138 HIS N N 118.819 . 1 255 162 140 VAL H H 9.674 . 1 256 162 140 VAL N N 133.977 . 1 257 163 141 PHE H H 8.226 . 1 258 163 141 PHE N N 117.501 . 1 259 164 142 GLY H H 7.526 . 1 260 164 142 GLY N N 108.611 . 1 261 165 143 LYS H H 8.540 . 1 262 165 143 LYS N N 118.338 . 1 263 166 144 VAL H H 9.356 . 1 264 166 144 VAL N N 127.620 . 1 265 167 145 ILE H H 8.911 . 1 266 167 145 ILE N N 125.370 . 1 267 168 146 ASP H H 7.862 . 1 268 168 146 ASP N N 119.823 . 1 269 169 147 GLY H H 8.413 . 1 270 169 147 GLY N N 109.476 . 1 271 170 148 MET H H 8.983 0.002 1 272 170 148 MET N N 121.928 . 1 273 171 149 THR H H 8.626 . 1 274 171 149 THR N N 111.945 . 1 275 172 150 VAL H H 7.257 . 1 276 172 150 VAL N N 124.580 . 1 277 173 151 VAL H H 7.271 . 1 278 173 151 VAL N N 119.235 . 1 279 174 152 HIS H H 8.446 . 1 280 174 152 HIS N N 115.264 . 1 281 175 153 SER H H 7.983 . 1 282 175 153 SER N N 117.154 . 1 283 176 154 ILE H H 7.657 . 1 284 176 154 ILE N N 122.548 . 1 285 177 155 GLU H H 7.946 . 1 286 177 155 GLU N N 117.919 . 1 287 178 156 LEU H H 7.089 . 1 288 178 156 LEU N N 113.026 . 1 289 179 157 GLN H H 7.718 . 1 290 179 157 GLN N N 119.491 . 1 291 180 158 ALA H H 8.473 . 1 292 180 158 ALA N N 124.200 . 1 293 181 159 THR H H 8.513 . 1 294 181 159 THR N N 111.776 . 1 295 182 160 ASP H H 8.398 . 1 296 182 160 ASP N N 119.118 . 1 297 183 161 GLY H H 8.554 . 1 298 183 161 GLY N N 104.899 . 1 299 184 162 HIS H H 8.722 . 1 300 184 162 HIS N N 119.147 . 1 301 185 163 ASP H H 8.340 . 1 302 185 163 ASP N N 113.477 . 1 303 186 164 ARG H H 8.457 . 1 304 186 164 ARG N N 121.223 . 1 305 188 166 LEU H H 8.595 0.003 1 306 188 166 LEU N N 125.360 . 1 307 189 167 THR H H 8.192 . 1 308 189 167 THR N N 117.086 . 1 309 190 168 ASN H H 8.527 . 1 310 190 168 ASN N N 120.402 . 1 311 191 169 CYS H H 9.783 . 1 312 191 169 CYS N N 125.200 . 1 313 192 170 SER H H 9.308 . 1 314 192 170 SER N N 118.322 . 1 315 193 171 ILE H H 8.853 . 1 316 193 171 ILE N N 123.429 . 1 317 194 172 ILE H H 8.743 . 1 318 194 172 ILE N N 125.077 . 1 319 195 173 ASN H H 7.741 . 1 320 195 173 ASN N N 114.523 . 1 321 196 174 SER H H 8.171 . 1 322 196 174 SER N N 117.064 . 1 323 197 175 GLY H H 6.680 0.009 1 324 197 175 GLY N N 105.502 . 1 325 198 176 LYS H H 8.745 0.009 1 326 198 176 LYS N N 118.761 . 1 327 199 177 ILE H H 8.357 . 1 328 199 177 ILE N N 123.143 . 1 329 200 178 ASP H H 8.742 . 1 330 200 178 ASP N N 126.841 . 1 331 201 179 VAL H H 8.831 . 1 332 201 179 VAL N N 124.219 . 1 333 203 181 THR H H 7.738 . 1 334 203 181 THR N N 113.724 . 1 335 205 183 PHE H H 7.069 . 1 336 205 183 PHE N N 116.479 . 1 337 206 184 VAL H H 8.505 . 1 338 206 184 VAL N N 121.522 . 1 339 207 185 VAL H H 8.081 . 1 340 207 185 VAL N N 128.309 . 1 341 208 186 GLU H H 8.295 . 1 342 208 186 GLU N N 125.170 . 1 343 209 187 ILE H H 8.336 . 1 344 209 187 ILE N N 124.760 . 1 345 210 188 ALA H H 8.468 . 1 346 210 188 ALA N N 128.539 . 1 347 211 189 ASP H H 8.354 . 1 348 211 189 ASP N N 115.436 . 1 349 212 190 TRP H H 7.521 . 1 350 212 190 TRP N N 125.749 . 1 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default List' _Experiment_label '2D 1H-15N HSQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $CypC-GSFGPDLRAGD _Sample_conditions_label $sample_conditions _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1 >> _Spectral_peak_list.Entry_ID 25339 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CypC-GSFGPDLRAGD >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default List' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Folding_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 6745.80419922 . . . 25339 1 >> 2 N 15 15N . . 2985.96606445 . . . 25339 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25339 1 >> 10 1.0 . 25339 1 >> 100 1.0 . 25339 1 >> 101 1.0 . 25339 1 >> 102 1.0 . 25339 1 >> 103 1.0 . 25339 1 >> 104 1.0 . 25339 1 >> 105 1.0 . 25339 1 >> 106 1.0 . 25339 1 >> 107 1.0 . 25339 1 >> 108 1.0 . 25339 1 >> 109 1.0 . 25339 1 >> 11 1.0 . 25339 1 >> 110 1.0 . 25339 1 >> 111 1.0 . 25339 1 >> 112 1.0 . 25339 1 >> 113 1.0 . 25339 1 >> 114 1.0 . 25339 1 >> 115 1.0 . 25339 1 >> 116 1.0 . 25339 1 >> 117 1.0 . 25339 1 >> 118 1.0 . 25339 1 >> 119 1.0 . 25339 1 >> 12 1.0 . 25339 1 >> 120 1.0 . 25339 1 >> 121 1.0 . 25339 1 >> 122 1.0 . 25339 1 >> 123 1.0 . 25339 1 >> 124 1.0 . 25339 1 >> 125 1.0 . 25339 1 >> 126 1.0 . 25339 1 >> 127 1.0 . 25339 1 >> 128 1.0 . 25339 1 >> 129 1.0 . 25339 1 >> 13 1.0 . 25339 1 >> 130 1.0 . 25339 1 >> 131 1.0 . 25339 1 >> 132 1.0 . 25339 1 >> 133 1.0 . 25339 1 >> 134 1.0 . 25339 1 >> 135 1.0 . 25339 1 >> 136 1.0 . 25339 1 >> 137 1.0 . 25339 1 >> 138 1.0 . 25339 1 >> 139 1.0 . 25339 1 >> 14 1.0 . 25339 1 >> 140 1.0 . 25339 1 >> 141 1.0 . 25339 1 >> 142 1.0 . 25339 1 >> 143 1.0 . 25339 1 >> 144 1.0 . 25339 1 >> 145 1.0 . 25339 1 >> 146 1.0 . 25339 1 >> 147 1.0 . 25339 1 >> 148 1.0 . 25339 1 >> 149 1.0 . 25339 1 >> 15 1.0 . 25339 1 >> 150 1.0 . 25339 1 >> 151 1.0 . 25339 1 >> 152 1.0 . 25339 1 >> 153 1.0 . 25339 1 >> 154 1.0 . 25339 1 >> 155 1.0 . 25339 1 >> 156 1.0 . 25339 1 >> 157 1.0 . 25339 1 >> 158 1.0 . 25339 1 >> 159 1.0 . 25339 1 >> 16 1.0 . 25339 1 >> 160 1.0 . 25339 1 >> 161 1.0 . 25339 1 >> 162 1.0 . 25339 1 >> 17 1.0 . 25339 1 >> 18 1.0 . 25339 1 >> 19 1.0 . 25339 1 >> 2 1.0 . 25339 1 >> 20 1.0 . 25339 1 >> 21 1.0 . 25339 1 >> 22 1.0 . 25339 1 >> 23 1.0 . 25339 1 >> 24 1.0 . 25339 1 >> 25 1.0 . 25339 1 >> 26 1.0 . 25339 1 >> 27 1.0 . 25339 1 >> 28 1.0 . 25339 1 >> 29 1.0 . 25339 1 >> 3 1.0 . 25339 1 >> 30 1.0 . 25339 1 >> 31 1.0 . 25339 1 >> 32 1.0 . 25339 1 >> 33 1.0 . 25339 1 >> 34 1.0 . 25339 1 >> 35 1.0 . 25339 1 >> 36 1.0 . 25339 1 >> 37 1.0 . 25339 1 >> 38 1.0 . 25339 1 >> 39 1.0 . 25339 1 >> 4 1.0 . 25339 1 >> 40 1.0 . 25339 1 >> 41 1.0 . 25339 1 >> 42 1.0 . 25339 1 >> 43 1.0 . 25339 1 >> 44 1.0 . 25339 1 >> 45 1.0 . 25339 1 >> 46 1.0 . 25339 1 >> 47 1.0 . 25339 1 >> 48 1.0 . 25339 1 >> 49 1.0 . 25339 1 >> 5 1.0 . 25339 1 >> 50 1.0 . 25339 1 >> 51 1.0 . 25339 1 >> 52 1.0 . 25339 1 >> 53 1.0 . 25339 1 >> 54 1.0 . 25339 1 >> 55 1.0 . 25339 1 >> 56 1.0 . 25339 1 >> 57 1.0 . 25339 1 >> 58 1.0 . 25339 1 >> 59 1.0 . 25339 1 >> 6 1.0 . 25339 1 >> 60 1.0 . 25339 1 >> 61 1.0 . 25339 1 >> 62 1.0 . 25339 1 >> 63 1.0 . 25339 1 >> 64 1.0 . 25339 1 >> 65 1.0 . 25339 1 >> 66 1.0 . 25339 1 >> 67 1.0 . 25339 1 >> 68 1.0 . 25339 1 >> 69 1.0 . 25339 1 >> 7 1.0 . 25339 1 >> 70 1.0 . 25339 1 >> 71 1.0 . 25339 1 >> 72 1.0 . 25339 1 >> 73 1.0 . 25339 1 >> 74 1.0 . 25339 1 >> 75 1.0 . 25339 1 >> 76 1.0 . 25339 1 >> 77 1.0 . 25339 1 >> 78 1.0 . 25339 1 >> 79 1.0 . 25339 1 >> 8 1.0 . 25339 1 >> 80 1.0 . 25339 1 >> 81 1.0 . 25339 1 >> 82 1.0 . 25339 1 >> 83 1.0 . 25339 1 >> 84 1.0 . 25339 1 >> 85 1.0 . 25339 1 >> 86 1.0 . 25339 1 >> 87 1.0 . 25339 1 >> 88 1.0 . 25339 1 >> 89 1.0 . 25339 1 >> 9 1.0 . 25339 1 >> 90 1.0 . 25339 1 >> 91 1.0 . 25339 1 >> 92 1.0 . 25339 1 >> 93 1.0 . 25339 1 >> 94 1.0 . 25339 1 >> 95 1.0 . 25339 1 >> 96 1.0 . 25339 1 >> 97 1.0 . 25339 1 >> 98 1.0 . 25339 1 >> 99 1.0 . 25339 1 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 78185.28906250 . height 25339 1 >> 1 640735.93750000 . volume 25339 1 >> 2 83188.67968750 . height 25339 1 >> 2 679522.65625000 . volume 25339 1 >> 3 135802.17187500 . height 25339 1 >> 3 1094559.39844000 . volume 25339 1 >> 4 154621.01562500 . height 25339 1 >> 4 1242984.60938000 . volume 25339 1 >> 5 130570.67968800 . height 25339 1 >> 5 1054592.92969000 . volume 25339 1 >> 6 178180.37500000 . height 25339 1 >> 6 1434878.35938000 . volume 25339 1 >> 7 89335.94531250 . height 25339 1 >> 7 727610.47656200 . volume 25339 1 >> 8 151121.23437500 . height 25339 1 >> 8 1227648.77344000 . volume 25339 1 >> 9 73766.35156250 . height 25339 1 >> 9 610097.26953100 . volume 25339 1 >> 10 129333.21093800 . height 25339 1 >> 10 1044387.58594000 . volume 25339 1 >> 11 140128.31250000 . height 25339 1 >> 11 1135552.92188000 . volume 25339 1 >> 12 241668.75000000 . height 25339 1 >> 12 1934976.70312000 . volume 25339 1 >> 13 148761.14062500 . height 25339 1 >> 13 1201414.64844000 . volume 25339 1 >> 14 112688.59375000 . height 25339 1 >> 14 926842.66406200 . volume 25339 1 >> 15 205701.51562500 . height 25339 1 >> 15 1654734.85938000 . volume 25339 1 >> 16 142396.00000000 . height 25339 1 >> 16 1151979.03125000 . volume 25339 1 >> 17 75714.72656250 . height 25339 1 >> 17 622815.47656200 . volume 25339 1 >> 18 162506.50000000 . height 25339 1 >> 18 1313797.51562000 . volume 25339 1 >> 19 109669.46875000 . height 25339 1 >> 19 895892.67968800 . volume 25339 1 >> 20 180655.56250000 . height 25339 1 >> 20 1454765.20312000 . volume 25339 1 >> 21 113579.39843800 . height 25339 1 >> 21 928347.09375000 . volume 25339 1 >> 22 123666.93750000 . height 25339 1 >> 22 1000060.10156000 . volume 25339 1 >> 23 124501.93750000 . height 25339 1 >> 23 1014904.70312000 . volume 25339 1 >> 24 120099.74218800 . height 25339 1 >> 24 973751.81250000 . volume 25339 1 >> 25 24055.91601560 . height 25339 1 >> 25 201933.45898400 . volume 25339 1 >> 26 220944.03125000 . height 25339 1 >> 26 1765155.95312000 . volume 25339 1 >> 27 118173.31250000 . height 25339 1 >> 27 961672.46093800 . volume 25339 1 >> 28 107107.30468800 . height 25339 1 >> 28 874147.99218800 . volume 25339 1 >> 29 211241.67187500 . height 25339 1 >> 29 1693279.42188000 . volume 25339 1 >> 30 307958.59375000 . height 25339 1 >> 30 2459480.48438000 . volume 25339 1 >> 31 59886.23828120 . height 25339 1 >> 31 497481.40625000 . volume 25339 1 >> 32 121460.32031200 . height 25339 1 >> 32 987318.21093800 . volume 25339 1 >> 33 104913.41406200 . height 25339 1 >> 33 858033.51562500 . volume 25339 1 >> 34 149013.23437500 . height 25339 1 >> 34 1213893.02344000 . volume 25339 1 >> 35 128221.57031200 . height 25339 1 >> 35 1046779.71875000 . volume 25339 1 >> 36 19940.34960940 . height 25339 1 >> 36 157325.95312500 . volume 25339 1 >> 37 124502.39062500 . height 25339 1 >> 37 1010368.54688000 . volume 25339 1 >> 38 128812.32031200 . height 25339 1 >> 38 1057761.35938000 . volume 25339 1 >> 39 148294.68750000 . height 25339 1 >> 39 1210204.35156000 . volume 25339 1 >> 40 134534.43750000 . height 25339 1 >> 40 1094128.37500000 . volume 25339 1 >> 41 201458.31250000 . height 25339 1 >> 41 1624478.82812000 . volume 25339 1 >> 42 110213.88281200 . height 25339 1 >> 42 903194.82812500 . volume 25339 1 >> 43 66549.49218750 . height 25339 1 >> 43 531178.76953100 . volume 25339 1 >> 44 210507.87500000 . height 25339 1 >> 44 1691513.00000000 . volume 25339 1 >> 45 134718.75000000 . height 25339 1 >> 45 1087193.49219000 . volume 25339 1 >> 46 113729.06250000 . height 25339 1 >> 46 924398.40625000 . volume 25339 1 >> 47 115830.80468800 . height 25339 1 >> 47 940908.64843800 . volume 25339 1 >> 48 172323.78125000 . height 25339 1 >> 48 1391093.09375000 . volume 25339 1 >> 49 100535.78125000 . height 25339 1 >> 49 821371.05468800 . volume 25339 1 >> 50 86633.46093750 . height 25339 1 >> 50 714273.17187500 . volume 25339 1 >> 51 110516.67187500 . height 25339 1 >> 51 898989.71875000 . volume 25339 1 >> 52 157860.78125000 . height 25339 1 >> 52 1284532.34375000 . volume 25339 1 >> 53 168924.29687500 . height 25339 1 >> 53 1415792.76562000 . volume 25339 1 >> 54 184754.65625000 . height 25339 1 >> 54 1483355.93750000 . volume 25339 1 >> 55 33739.28125000 . height 25339 1 >> 55 284451.38476600 . volume 25339 1 >> 56 175229.34375000 . height 25339 1 >> 56 1415863.79688000 . volume 25339 1 >> 57 152068.40625000 . height 25339 1 >> 57 1230937.78906000 . volume 25339 1 >> 58 108594.89062500 . height 25339 1 >> 58 883463.16406200 . volume 25339 1 >> 59 91155.61718750 . height 25339 1 >> 59 750869.75781200 . volume 25339 1 >> 60 87651.38281250 . height 25339 1 >> 60 725524.81250000 . volume 25339 1 >> 61 132388.03125000 . height 25339 1 >> 61 1081709.44531000 . volume 25339 1 >> 62 143700.23437500 . height 25339 1 >> 62 1176489.21094000 . volume 25339 1 >> 63 91973.71093750 . height 25339 1 >> 63 763396.79687500 . volume 25339 1 >> 64 212338.40625000 . height 25339 1 >> 64 1703145.68750000 . volume 25339 1 >> 65 56897.45312500 . height 25339 1 >> 65 458908.45703100 . volume 25339 1 >> 66 109018.29687500 . height 25339 1 >> 66 893652.85937500 . volume 25339 1 >> 67 82341.16406250 . height 25339 1 >> 67 678746.87500000 . volume 25339 1 >> 68 64746.34375000 . height 25339 1 >> 68 541577.18750000 . volume 25339 1 >> 69 87890.76562500 . height 25339 1 >> 69 729079.14843800 . volume 25339 1 >> 70 83191.08593750 . height 25339 1 >> 70 685651.70312500 . volume 25339 1 >> 71 98418.83593750 . height 25339 1 >> 71 800123.27343800 . volume 25339 1 >> 72 129462.08593800 . height 25339 1 >> 72 1048537.41406000 . volume 25339 1 >> 73 191456.32812500 . height 25339 1 >> 73 1542603.14062000 . volume 25339 1 >> 74 118349.35937500 . height 25339 1 >> 74 965874.82812500 . volume 25339 1 >> 75 59584.97656250 . height 25339 1 >> 75 484867.46875000 . volume 25339 1 >> 76 119461.79687500 . height 25339 1 >> 76 972903.20312500 . volume 25339 1 >> 77 121618.45312500 . height 25339 1 >> 77 994259.40625000 . volume 25339 1 >> 78 74875.14843750 . height 25339 1 >> 78 625317.52734400 . volume 25339 1 >> 79 22814.62695310 . height 25339 1 >> 79 188079.26953100 . volume 25339 1 >> 80 74786.26562500 . height 25339 1 >> 80 613876.79687500 . volume 25339 1 >> 81 91848.99218750 . height 25339 1 >> 81 754848.55468800 . volume 25339 1 >> 82 60672.48437500 . height 25339 1 >> 82 496618.71093800 . volume 25339 1 >> 83 104812.21875000 . height 25339 1 >> 83 856371.10937500 . volume 25339 1 >> 84 176128.85937500 . height 25339 1 >> 84 1425058.98438000 . volume 25339 1 >> 85 35996.32421880 . height 25339 1 >> 85 300385.67773400 . volume 25339 1 >> 86 96317.10937500 . height 25339 1 >> 86 796766.02343800 . volume 25339 1 >> 87 125435.28125000 . height 25339 1 >> 87 1023648.80469000 . volume 25339 1 >> 88 131015.64843800 . height 25339 1 >> 88 1065181.79688000 . volume 25339 1 >> 89 121522.86718800 . height 25339 1 >> 89 993377.36718800 . volume 25339 1 >> 90 142458.18750000 . height 25339 1 >> 90 1162139.21094000 . volume 25339 1 >> 91 122518.10156200 . height 25339 1 >> 91 1003476.17969000 . volume 25339 1 >> 92 137062.35937500 . height 25339 1 >> 92 1115459.19531000 . volume 25339 1 >> 93 107611.54687500 . height 25339 1 >> 93 880272.35937500 . volume 25339 1 >> 94 152943.18750000 . height 25339 1 >> 94 1239865.53906000 . volume 25339 1 >> 95 77030.27343750 . height 25339 1 >> 95 631889.68750000 . volume 25339 1 >> 96 133892.10937500 . height 25339 1 >> 96 1086917.98438000 . volume 25339 1 >> 97 23462.00390620 . height 25339 1 >> 97 197874.52929700 . volume 25339 1 >> 98 116000.67187500 . height 25339 1 >> 98 951042.73437500 . volume 25339 1 >> 99 117840.21875000 . height 25339 1 >> 99 955600.40625000 . volume 25339 1 >> 100 130597.06250000 . height 25339 1 >> 100 1069707.10938000 . volume 25339 1 >> 101 133647.21875000 . height 25339 1 >> 101 1084491.71875000 . volume 25339 1 >> 102 126009.50000000 . height 25339 1 >> 102 1028092.46094000 . volume 25339 1 >> 103 164705.31250000 . height 25339 1 >> 103 1347024.20312000 . volume 25339 1 >> 104 100572.50781200 . height 25339 1 >> 104 820813.47656200 . volume 25339 1 >> 105 31990.78320310 . height 25339 1 >> 105 266568.05078100 . volume 25339 1 >> 106 46333.00390620 . height 25339 1 >> 106 383060.19140600 . volume 25339 1 >> 107 129404.02343800 . height 25339 1 >> 107 1049953.96094000 . volume 25339 1 >> 108 92799.04687500 . height 25339 1 >> 108 763845.57812500 . volume 25339 1 >> 109 122726.78906200 . height 25339 1 >> 109 1003353.47656000 . volume 25339 1 >> 110 175058.85937500 . height 25339 1 >> 110 1411834.51562000 . volume 25339 1 >> 111 235885.82812500 . height 25339 1 >> 111 1891732.17188000 . volume 25339 1 >> 112 130853.00781200 . height 25339 1 >> 112 1063327.31250000 . volume 25339 1 >> 113 18653.32812500 . height 25339 1 >> 113 148047.09472700 . volume 25339 1 >> 114 22329.46289060 . height 25339 1 >> 114 188221.78125000 . volume 25339 1 >> 115 135673.04687500 . height 25339 1 >> 115 1116734.98438000 . volume 25339 1 >> 116 122934.09375000 . height 25339 1 >> 116 1006988.23438000 . volume 25339 1 >> 117 32390.58203120 . height 25339 1 >> 117 265384.30468800 . volume 25339 1 >> 118 145695.46875000 . height 25339 1 >> 118 1201669.03906000 . volume 25339 1 >> 119 142291.92187500 . height 25339 1 >> 119 1166585.32031000 . volume 25339 1 >> 120 61051.28125000 . height 25339 1 >> 120 506491.48437500 . volume 25339 1 >> 121 58245.88281250 . height 25339 1 >> 121 481367.02734400 . volume 25339 1 >> 122 39688.60156250 . height 25339 1 >> 122 328700.94726600 . volume 25339 1 >> 123 54924.96093750 . height 25339 1 >> 123 457222.82031200 . volume 25339 1 >> 124 105558.46875000 . height 25339 1 >> 124 866306.22656200 . volume 25339 1 >> 125 81718.86718750 . height 25339 1 >> 125 671598.24218800 . volume 25339 1 >> 126 161724.68750000 . height 25339 1 >> 126 1311144.98438000 . volume 25339 1 >> 127 130574.75781200 . height 25339 1 >> 127 1058202.48438000 . volume 25339 1 >> 128 103916.33593800 . height 25339 1 >> 128 856009.97656200 . volume 25339 1 >> 129 134112.64062500 . height 25339 1 >> 129 1087768.44531000 . volume 25339 1 >> 130 32110.76757810 . height 25339 1 >> 130 268797.36523400 . volume 25339 1 >> 131 14469.47949220 . height 25339 1 >> 131 121999.14941400 . volume 25339 1 >> 132 -92623.76562500 . height 25339 1 >> 132 -762446.25781200 . volume 25339 1 >> 133 -83059.40625000 . height 25339 1 >> 133 -683253.92187500 . volume 25339 1 >> 134 13837.84082030 . height 25339 1 >> 134 116910.16113300 . volume 25339 1 >> 135 9422.65429688 . height 25339 1 >> 135 79489.46386720 . volume 25339 1 >> 136 249651.31250000 . height 25339 1 >> 136 2042892.85938000 . volume 25339 1 >> 137 161668.87500000 . height 25339 1 >> 137 1305204.35938000 . volume 25339 1 >> 138 28701.03320310 . height 25339 1 >> 138 240101.63085900 . volume 25339 1 >> 139 125288.75000000 . height 25339 1 >> 139 1030917.73438000 . volume 25339 1 >> 140 108302.35156200 . height 25339 1 >> 140 893509.59375000 . volume 25339 1 >> 141 116614.70312500 . height 25339 1 >> 141 961136.99218800 . volume 25339 1 >> 142 152379.59375000 . height 25339 1 >> 142 1249999.96094000 . volume 25339 1 >> 143 95188.56250000 . height 25339 1 >> 143 799049.90625000 . volume 25339 1 >> 144 135977.64062500 . height 25339 1 >> 144 1115688.42188000 . volume 25339 1 >> 145 148525.70312500 . height 25339 1 >> 145 1192945.64844000 . volume 25339 1 >> 146 71595.75000000 . height 25339 1 >> 146 589987.71875000 . volume 25339 1 >> 147 151734.28125000 . height 25339 1 >> 147 1222730.98438000 . volume 25339 1 >> 148 146416.18750000 . height 25339 1 >> 148 1202557.34375000 . volume 25339 1 >> 149 393432.71875000 . height 25339 1 >> 149 3101161.31250000 . volume 25339 1 >> 150 149025.28125000 . height 25339 1 >> 150 1217372.36719000 . volume 25339 1 >> 151 87365.75000000 . height 25339 1 >> 151 727828.44531200 . volume 25339 1 >> 152 295146.59375000 . height 25339 1 >> 152 2361010.04688000 . volume 25339 1 >> 153 37850.27734380 . height 25339 1 >> 153 309006.26953100 . volume 25339 1 >> 154 149143.04687500 . height 25339 1 >> 154 1215425.27344000 . volume 25339 1 >> 155 257800.42187500 . height 25339 1 >> 155 2071665.93750000 . volume 25339 1 >> 156 189699.64062500 . height 25339 1 >> 156 1526488.51562000 . volume 25339 1 >> 157 120906.61718800 . height 25339 1 >> 157 990601.02343800 . volume 25339 1 >> 158 24718.38867190 . height 25339 1 >> 158 205426.54882800 . volume 25339 1 >> 159 175867.18750000 . height 25339 1 >> 159 1423224.46875000 . volume 25339 1 >> 160 78026.66406250 . height 25339 1 >> 160 675881.32812500 . volume 25339 1 >> 161 69203.38281250 . height 25339 1 >> 161 571784.73437500 . volume 25339 1 >> 162 37930.32812500 . height 25339 1 >> 162 324178.27734400 . volume 25339 1 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 9.674 . 28.1852865416 . . . . . . . . . . . 25339 1 >> 1 2 133.977 . 30.9980315344 . . . . . . . . . . . 25339 1 >> 2 1 9.266 . 27.0837268620 . . . . . . . . . . . 25339 1 >> 2 2 131.855 . 30.4651559358 . . . . . . . . . . . 25339 1 >> 3 1 9.308 . 24.1121580840 . . . . . . . . . . . 25339 1 >> 3 2 130.724 . 29.3782921639 . . . . . . . . . . . 25339 1 >> 4 1 9.036 . 22.4589522180 . . . . . . . . . . . 25339 1 >> 4 2 129.417 . 29.6565154072 . . . . . . . . . . . 25339 1 >> 5 1 9.580 . 25.3911022264 . . . . . . . . . . . 25339 1 >> 5 2 128.753 . 29.0054294133 . . . . . . . . . . . 25339 1 >> 6 1 8.468 . 22.9521200101 . . . . . . . . . . . 25339 1 >> 6 2 128.539 . 29.9901341308 . . . . . . . . . . . 25339 1 >> 7 1 9.261 . 25.5420631184 . . . . . . . . . . . 25339 1 >> 7 2 128.367 . 31.0187992777 . . . . . . . . . . . 25339 1 >> 8 1 8.081 . 25.0226883422 . . . . . . . . . . . 25339 1 >> 8 2 128.309 . 30.5862250938 . . . . . . . . . . . 25339 1 >> 9 1 8.896 . 25.1708336078 . . . . . . . . . . . 25339 1 >> 9 2 127.898 . 36.3296907781 . . . . . . . . . . . 25339 1 >> 10 1 9.356 . 24.6705184564 . . . . . . . . . . . 25339 1 >> 10 2 127.620 . 29.7151589759 . . . . . . . . . . . 25339 1 >> 11 1 8.975 . 24.9425512834 . . . . . . . . . . . 25339 1 >> 11 2 127.251 . 29.7048807783 . . . . . . . . . . . 25339 1 >> 12 1 8.742 . 20.9512925778 . . . . . . . . . . . 25339 1 >> 12 2 126.841 . 30.9222465130 . . . . . . . . . . . 25339 1 >> 13 1 8.809 . 23.5308395272 . . . . . . . . . . . 25339 1 >> 13 2 126.516 . 30.1348742893 . . . . . . . . . . . 25339 1 >> 14 1 8.761 . 23.8080704336 . . . . . . . . . . . 25339 1 >> 14 2 126.429 . 38.1432364645 . . . . . . . . . . . 25339 1 >> 15 1 7.521 . 23.6811506592 . . . . . . . . . . . 25339 1 >> 15 2 125.749 . 29.4522417929 . . . . . . . . . . . 25339 1 >> 16 1 8.501 . 24.3417399284 . . . . . . . . . . . 25339 1 >> 16 2 125.684 . 29.9540492036 . . . . . . . . . . . 25339 1 >> 17 1 8.911 . 26.9711018063 . . . . . . . . . . . 25339 1 >> 17 2 125.370 . 32.7269378213 . . . . . . . . . . . 25339 1 >> 18 1 8.599 . 24.0701402748 . . . . . . . . . . . 25339 1 >> 18 2 125.360 . 30.1685120267 . . . . . . . . . . . 25339 1 >> 19 1 9.783 . 26.1545701523 . . . . . . . . . . . 25339 1 >> 19 2 125.200 . 31.2381564806 . . . . . . . . . . . 25339 1 >> 20 1 8.295 . 23.5741568563 . . . . . . . . . . . 25339 1 >> 20 2 125.170 . 29.5156017639 . . . . . . . . . . . 25339 1 >> 21 1 8.743 . 26.6748112751 . . . . . . . . . . . 25339 1 >> 21 2 125.077 . 31.3485914863 . . . . . . . . . . . 25339 1 >> 22 1 8.471 . 25.2436067208 . . . . . . . . . . . 25339 1 >> 22 2 125.082 . 29.0064972779 . . . . . . . . . . . 25339 1 >> 23 1 9.188 . 24.7586692212 . . . . . . . . . . . 25339 1 >> 23 2 124.953 . 31.3600710316 . . . . . . . . . . . 25339 1 >> 24 1 8.835 . 26.3152774433 . . . . . . . . . . . 25339 1 >> 24 2 124.905 . 29.5840340921 . . . . . . . . . . . 25339 1 >> 25 1 10.160 . 48.2910248549 . . . . . . . . . . . 25339 1 >> 25 2 124.858 . 32.9864289384 . . . . . . . . . . . 25339 1 >> 26 1 8.336 . 21.4368798373 . . . . . . . . . . . 25339 1 >> 26 2 124.760 . 29.1660540588 . . . . . . . . . . . 25339 1 >> 27 1 7.257 . 26.9992580702 . . . . . . . . . . . 25339 1 >> 27 2 124.580 . 30.0042388435 . . . . . . . . . . . 25339 1 >> 28 1 8.733 . 25.9128594557 . . . . . . . . . . . 25339 1 >> 28 2 124.423 . 31.8545813669 . . . . . . . . . . . 25339 1 >> 29 1 8.473 . 21.0084714522 . . . . . . . . . . . 25339 1 >> 29 2 124.200 . 30.7725674804 . . . . . . . . . . . 25339 1 >> 30 1 8.348 . 20.3366196775 . . . . . . . . . . . 25339 1 >> 30 2 124.044 . 30.2198585200 . . . . . . . . . . . 25339 1 >> 31 1 10.174 . 32.8676732334 . . . . . . . . . . . 25339 1 >> 31 2 123.887 . 33.2462760104 . . . . . . . . . . . 25339 1 >> 32 1 7.079 . 26.9091580256 . . . . . . . . . . . 25339 1 >> 32 2 123.821 . 29.8686200292 . . . . . . . . . . . 25339 1 >> 33 1 9.264 . 28.0811083651 . . . . . . . . . . . 25339 1 >> 33 2 123.678 . 30.3761227181 . . . . . . . . . . . 25339 1 >> 34 1 8.206 . 25.6772131853 . . . . . . . . . . . 25339 1 >> 34 2 123.563 . 30.9546384082 . . . . . . . . . . . 25339 1 >> 35 1 7.790 . 27.3336678510 . . . . . . . . . . . 25339 1 >> 35 2 123.295 . 30.5249118635 . . . . . . . . . . . 25339 1 >> 36 1 8.167 . 19.6790626214 . . . . . . . . . . . 25339 1 >> 36 2 122.904 . 27.5182498696 . . . . . . . . . . . 25339 1 >> 37 1 7.657 . 26.9082916790 . . . . . . . . . . . 25339 1 >> 37 2 122.548 . 29.3923523821 . . . . . . . . . . . 25339 1 >> 38 1 7.459 . 26.0752994400 . . . . . . . . . . . 25339 1 >> 38 2 122.396 . 32.9158608809 . . . . . . . . . . . 25339 1 >> 39 1 7.556 . 26.4369991382 . . . . . . . . . . . 25339 1 >> 39 2 121.962 . 30.6940794264 . . . . . . . . . . . 25339 1 >> 40 1 8.981 . 24.5821511050 . . . . . . . . . . . 25339 1 >> 40 2 121.928 . 31.8064384676 . . . . . . . . . . . 25339 1 >> 41 1 8.129 . 24.1420470411 . . . . . . . . . . . 25339 1 >> 41 2 121.929 . 29.4001833898 . . . . . . . . . . . 25339 1 >> 42 1 10.783 . 29.5123129194 . . . . . . . . . . . 25339 1 >> 42 2 121.721 . 30.3102710629 . . . . . . . . . . . 25339 1 >> 43 1 8.411 . 20.2361234739 . . . . . . . . . . . 25339 1 >> 43 2 121.723 . 31.1552189905 . . . . . . . . . . . 25339 1 >> 44 1 8.505 . 22.8992728685 . . . . . . . . . . . 25339 1 >> 44 2 121.522 . 29.6332448561 . . . . . . . . . . . 25339 1 >> 45 1 8.353 . 24.5925472640 . . . . . . . . . . . 25339 1 >> 45 2 121.302 . 28.7476290819 . . . . . . . . . . . 25339 1 >> 46 1 8.457 . 26.2749923272 . . . . . . . . . . . 25339 1 >> 46 2 121.223 . 30.0326262462 . . . . . . . . . . . 25339 1 >> 47 1 8.164 . 27.1552004550 . . . . . . . . . . . 25339 1 >> 47 2 121.213 . 29.3235640990 . . . . . . . . . . . 25339 1 >> 48 1 7.927 . 24.2598701763 . . . . . . . . . . . 25339 1 >> 48 2 120.705 . 29.9408788725 . . . . . . . . . . . 25339 1 >> 49 1 8.647 . 24.9750392802 . . . . . . . . . . . 25339 1 >> 49 2 120.646 . 32.5243104984 . . . . . . . . . . . 25339 1 >> 50 1 7.693 . 30.5257218342 . . . . . . . . . . . 25339 1 >> 50 2 120.625 . 31.2135955930 . . . . . . . . . . . 25339 1 >> 51 1 8.323 . 25.6451583618 . . . . . . . . . . . 25339 1 >> 51 2 120.465 . 29.9834154822 . . . . . . . . . . . 25339 1 >> 52 1 9.291 . 24.6700852832 . . . . . . . . . . . 25339 1 >> 52 2 120.361 . 30.8892316966 . . . . . . . . . . . 25339 1 >> 53 1 8.107 . 25.1240508924 . . . . . . . . . . . 25339 1 >> 53 2 119.975 . 51.4175063404 . . . . . . . . . . . 25339 1 >> 54 1 8.622 . 24.3569009936 . . . . . . . . . . . 25339 1 >> 54 2 119.725 . 28.7983526542 . . . . . . . . . . . 25339 1 >> 55 1 9.080 . 37.5125904354 . . . . . . . . . . . 25339 1 >> 55 2 119.458 . 37.1963074599 . . . . . . . . . . . 25339 1 >> 56 1 7.718 . 23.3064557623 . . . . . . . . . . . 25339 1 >> 56 2 119.491 . 30.7314546902 . . . . . . . . . . . 25339 1 >> 57 1 9.292 . 23.5473001122 . . . . . . . . . . . 25339 1 >> 57 2 119.224 . 30.9486761638 . . . . . . . . . . . 25339 1 >> 58 1 7.271 . 28.2043461664 . . . . . . . . . . . 25339 1 >> 58 2 119.235 . 29.9179197819 . . . . . . . . . . . 25339 1 >> 59 1 7.145 . 30.6149555322 . . . . . . . . . . . 25339 1 >> 59 2 119.216 . 31.4762013155 . . . . . . . . . . . 25339 1 >> 60 1 8.722 . 30.2359289024 . . . . . . . . . . . 25339 1 >> 60 2 119.147 . 33.5057671276 . . . . . . . . . . . 25339 1 >> 61 1 8.398 . 25.5966429531 . . . . . . . . . . . 25339 1 >> 61 2 119.118 . 31.9668851357 . . . . . . . . . . . 25339 1 >> 62 1 8.676 . 24.4617289301 . . . . . . . . . . . 25339 1 >> 62 2 118.997 . 33.2044513105 . . . . . . . . . . . 25339 1 >> 63 1 7.347 . 28.9481047075 . . . . . . . . . . . 25339 1 >> 63 2 118.819 . 34.5972138187 . . . . . . . . . . . 25339 1 >> 64 1 8.754 . 22.4041557966 . . . . . . . . . . . 25339 1 >> 64 2 118.761 . 29.4721752669 . . . . . . . . . . . 25339 1 >> 65 1 5.759 . 24.0333205450 . . . . . . . . . . . 25339 1 >> 65 2 118.507 . 29.8984312515 . . . . . . . . . . . 25339 1 >> 66 1 9.722 . 28.6988134784 . . . . . . . . . . . 25339 1 >> 66 2 118.419 . 30.6658700012 . . . . . . . . . . . 25339 1 >> 67 1 9.308 . 31.3873035105 . . . . . . . . . . . 25339 1 >> 67 2 118.322 . 30.9929925480 . . . . . . . . . . . 25339 1 >> 68 1 6.901 . 32.3038981948 . . . . . . . . . . . 25339 1 >> 68 2 118.269 . 36.3858871569 . . . . . . . . . . . 25339 1 >> 69 1 7.695 . 35.5236752687 . . . . . . . . . . . 25339 1 >> 69 2 118.021 . 32.0316689262 . . . . . . . . . . . 25339 1 >> 70 1 7.252 . 30.1934779199 . . . . . . . . . . . 25339 1 >> 70 2 117.976 . 31.4356224576 . . . . . . . . . . . 25339 1 >> 71 1 9.075 . 27.4441270403 . . . . . . . . . . . 25339 1 >> 71 2 117.948 . 29.5387388320 . . . . . . . . . . . 25339 1 >> 72 1 7.946 . 25.3683606286 . . . . . . . . . . . 25339 1 >> 72 2 117.919 . 29.4477923567 . . . . . . . . . . . 25339 1 >> 73 1 8.158 . 23.8838757595 . . . . . . . . . . . 25339 1 >> 73 2 117.879 . 29.3817627241 . . . . . . . . . . . 25339 1 >> 74 1 9.215 . 26.5021917185 . . . . . . . . . . . 25339 1 >> 74 2 117.480 . 31.0207570296 . . . . . . . . . . . 25339 1 >> 75 1 7.663 . 32.4377487418 . . . . . . . . . . . 25339 1 >> 75 2 117.344 . 26.6718781224 . . . . . . . . . . . 25339 1 >> 76 1 9.268 . 26.7865699842 . . . . . . . . . . . 25339 1 >> 76 2 117.164 . 29.9468411170 . . . . . . . . . . . 25339 1 >> 77 1 7.983 . 26.1467730330 . . . . . . . . . . . 25339 1 >> 77 2 117.154 . 31.5255010682 . . . . . . . . . . . 25339 1 >> 78 1 9.617 . 31.9809675062 . . . . . . . . . . . 25339 1 >> 78 2 116.567 . 34.1695340146 . . . . . . . . . . . 25339 1 >> 79 1 8.638 . 33.2785381001 . . . . . . . . . . . 25339 1 >> 79 2 116.590 . 29.9717579595 . . . . . . . . . . . 25339 1 >> 80 1 8.298 . 30.6145223590 . . . . . . . . . . . 25339 1 >> 80 2 116.594 . 30.1214369921 . . . . . . . . . . . 25339 1 >> 81 1 9.191 . 29.8460729403 . . . . . . . . . . . 25339 1 >> 81 2 116.547 . 31.2238292962 . . . . . . . . . . . 25339 1 >> 82 1 5.997 . 26.5270991827 . . . . . . . . . . . 25339 1 >> 82 2 116.552 . 32.1500239282 . . . . . . . . . . . 25339 1 >> 83 1 10.001 . 26.7462848681 . . . . . . . . . . . 25339 1 >> 83 2 116.488 . 30.9365736974 . . . . . . . . . . . 25339 1 >> 84 1 7.069 . 24.6735506695 . . . . . . . . . . . 25339 1 >> 84 2 116.479 . 29.8674631758 . . . . . . . . . . . 25339 1 >> 85 1 7.321 . 48.2030906768 . . . . . . . . . . . 25339 1 >> 85 2 115.919 . 30.9073853962 . . . . . . . . . . . 25339 1 >> 86 1 7.543 . 29.0602965900 . . . . . . . . . . . 25339 1 >> 86 2 115.798 . 33.5708178843 . . . . . . . . . . . 25339 1 >> 87 1 9.529 . 24.6906610145 . . . . . . . . . . . 25339 1 >> 87 2 115.661 . 32.9112334673 . . . . . . . . . . . 25339 1 >> 88 1 8.941 . 24.4236096804 . . . . . . . . . . . 25339 1 >> 88 2 115.625 . 31.3222508242 . . . . . . . . . . . 25339 1 >> 89 1 7.681 . 26.9931936441 . . . . . . . . . . . 25339 1 >> 89 2 115.524 . 31.0567084739 . . . . . . . . . . . 25339 1 >> 90 1 8.354 . 28.2498293620 . . . . . . . . . . . 25339 1 >> 90 2 115.436 . 29.4107730479 . . . . . . . . . . . 25339 1 >> 91 1 8.446 . 24.5180414579 . . . . . . . . . . . 25339 1 >> 91 2 115.264 . 33.8943808822 . . . . . . . . . . . 25339 1 >> 92 1 6.399 . 27.6520502201 . . . . . . . . . . . 25339 1 >> 92 2 115.031 . 29.7229454892 . . . . . . . . . . . 25339 1 >> 93 1 9.336 . 25.8608786608 . . . . . . . . . . . 25339 1 >> 93 2 114.907 . 31.5918866557 . . . . . . . . . . . 25339 1 >> 94 1 8.547 . 24.7337617570 . . . . . . . . . . . 25339 1 >> 94 2 114.891 . 30.4124301172 . . . . . . . . . . . 25339 1 >> 95 1 8.498 . 30.5443482858 . . . . . . . . . . . 25339 1 >> 95 2 114.816 . 30.2006369558 . . . . . . . . . . . 25339 1 >> 96 1 7.230 . 25.8734406862 . . . . . . . . . . . 25339 1 >> 96 2 114.754 . 30.2417497460 . . . . . . . . . . . 25339 1 >> 97 1 7.828 . 48.5769192271 . . . . . . . . . . . 25339 1 >> 97 2 114.696 . 36.1701784916 . . . . . . . . . . . 25339 1 >> 98 1 7.741 . 28.9398744150 . . . . . . . . . . . 25339 1 >> 98 2 114.523 . 30.2734297314 . . . . . . . . . . . 25339 1 >> 99 1 8.300 . 25.5381645588 . . . . . . . . . . . 25339 1 >> 99 2 114.251 . 29.6960708947 . . . . . . . . . . . 25339 1 >> 100 1 7.858 . 27.2132456761 . . . . . . . . . . . 25339 1 >> 100 2 114.136 . 31.1780890924 . . . . . . . . . . . 25339 1 >> 101 1 9.372 . 24.9854354392 . . . . . . . . . . . 25339 1 >> 101 2 114.019 . 30.3839537258 . . . . . . . . . . . 25339 1 >> 102 1 7.306 . 24.8892709685 . . . . . . . . . . . 25339 1 >> 102 2 113.892 . 31.7497526509 . . . . . . . . . . . 25339 1 >> 103 1 7.738 . 26.8887988809 . . . . . . . . . . . 25339 1 >> 103 2 113.724 . 31.3081906059 . . . . . . . . . . . 25339 1 >> 104 1 8.530 . 26.9806316187 . . . . . . . . . . . 25339 1 >> 104 2 113.618 . 29.9407898838 . . . . . . . . . . . 25339 1 >> 105 1 8.187 . 34.2648736843 . . . . . . . . . . . 25339 1 >> 105 2 113.451 . 32.3207042995 . . . . . . . . . . . 25339 1 >> 106 1 8.644 . 33.6515003039 . . . . . . . . . . . 25339 1 >> 106 2 113.348 . 30.5806188042 . . . . . . . . . . . 25339 1 >> 107 1 7.089 . 25.3116149275 . . . . . . . . . . . 25339 1 >> 107 2 113.026 . 30.2275115502 . . . . . . . . . . . 25339 1 >> 108 1 9.607 . 28.0958362570 . . . . . . . . . . . 25339 1 >> 108 2 111.966 . 32.2208589520 . . . . . . . . . . . 25339 1 >> 109 1 8.196 . 26.2485687565 . . . . . . . . . . . 25339 1 >> 109 2 111.845 . 31.4553779542 . . . . . . . . . . . 25339 1 >> 110 1 8.513 . 23.3372110660 . . . . . . . . . . . 25339 1 >> 110 2 111.776 . 29.7234794215 . . . . . . . . . . . 25339 1 >> 111 1 8.668 . 21.2272239643 . . . . . . . . . . . 25339 1 >> 111 2 111.502 . 30.3725631692 . . . . . . . . . . . 25339 1 >> 112 1 7.428 . 25.9639739041 . . . . . . . . . . . 25339 1 >> 112 2 111.417 . 30.1700248350 . . . . . . . . . . . 25339 1 >> 113 1 8.193 . 24.3902553370 . . . . . . . . . . . 25339 1 >> 113 2 110.770 . 25.5166265166 . . . . . . . . . . . 25339 1 >> 114 1 10.247 . 48.3661804209 . . . . . . . . . . . 25339 1 >> 114 2 110.507 . 34.7105854522 . . . . . . . . . . . 25339 1 >> 115 1 8.413 . 29.6052285903 . . . . . . . . . . . 25339 1 >> 115 2 109.476 . 31.1220261968 . . . . . . . . . . . 25339 1 >> 116 1 7.757 . 27.4969741818 . . . . . . . . . . . 25339 1 >> 116 2 109.446 . 32.9183525651 . . . . . . . . . . . 25339 1 >> 117 1 8.360 . 22.7905463724 . . . . . . . . . . . 25339 1 >> 117 2 109.311 . 34.9519228698 . . . . . . . . . . . 25339 1 >> 118 1 7.956 . 28.9922883832 . . . . . . . . . . . 25339 1 >> 118 2 108.801 . 33.3365995646 . . . . . . . . . . . 25339 1 >> 119 1 7.692 . 25.7270281138 . . . . . . . . . . . 25339 1 >> 119 2 108.728 . 32.5695167698 . . . . . . . . . . . 25339 1 >> 120 1 7.526 . 31.3886030304 . . . . . . . . . . . 25339 1 >> 120 2 108.611 . 33.8137570989 . . . . . . . . . . . 25339 1 >> 121 1 7.752 . 31.0212720794 . . . . . . . . . . . 25339 1 >> 121 2 108.096 . 32.0962747393 . . . . . . . . . . . 25339 1 >> 122 1 8.527 . 36.6360642806 . . . . . . . . . . . 25339 1 >> 122 2 107.986 . 30.1520491129 . . . . . . . . . . . 25339 1 >> 123 1 8.274 . 31.9075446333 . . . . . . . . . . . 25339 1 >> 123 2 107.048 . 33.7503971279 . . . . . . . . . . . 25339 1 >> 124 1 8.702 . 27.6364559816 . . . . . . . . . . . 25339 1 >> 124 2 106.988 . 31.4489707661 . . . . . . . . . . . 25339 1 >> 125 1 7.135 . 27.9686998960 . . . . . . . . . . . 25339 1 >> 125 2 106.447 . 32.3150090212 . . . . . . . . . . . 25339 1 >> 126 1 6.981 . 24.8035026569 . . . . . . . . . . . 25339 1 >> 126 2 106.415 . 30.2720059119 . . . . . . . . . . . 25339 1 >> 127 1 7.903 . 24.7545540749 . . . . . . . . . . . 25339 1 >> 127 2 105.660 . 30.0648401641 . . . . . . . . . . . 25339 1 >> 128 1 6.690 . 25.8877354049 . . . . . . . . . . . 25339 1 >> 128 2 105.502 . 33.8659044907 . . . . . . . . . . . 25339 1 >> 129 1 8.651 . 23.2384475556 . . . . . . . . . . . 25339 1 >> 129 2 105.188 . 31.4327748185 . . . . . . . . . . . 25339 1 >> 130 1 8.554 . 29.8551695794 . . . . . . . . . . . 25339 1 >> 130 2 104.899 . 37.4284790390 . . . . . . . . . . . 25339 1 >> 131 1 9.419 . 56.3463153790 . . . . . . . . . . . 25339 1 >> 131 2 110.406 . 33.2695020672 . . . . . . . . . . . 25339 1 >> 132 1 7.402 . 24.6549242180 . . . . . . . . . . . 25339 1 >> 132 2 101.465 . 34.8023661967 . . . . . . . . . . . 25339 1 >> 133 1 6.933 . 26.8034637426 . . . . . . . . . . . 25339 1 >> 133 2 100.417 . 33.2452971345 . . . . . . . . . . . 25339 1 >> 134 1 7.920 . 36.3454050022 . . . . . . . . . . . 25339 1 >> 134 2 111.522 . 36.3949640067 . . . . . . . . . . . 25339 1 >> 135 1 9.669 . 56.5321467209 . . . . . . . . . . . 25339 1 >> 135 2 111.285 . 34.0047268991 . . . . . . . . . . . 25339 1 >> 136 1 8.527 . 23.7036756704 . . . . . . . . . . . 25339 1 >> 136 2 120.402 . 34.5300273327 . . . . . . . . . . . 25339 1 >> 137 1 8.748 . 24.2559716167 . . . . . . . . . . . 25339 1 >> 137 2 125.699 . 29.7100421243 . . . . . . . . . . . 25339 1 >> 138 1 8.314 . 23.3909245541 . . . . . . . . . . . 25339 1 >> 138 2 126.940 . 44.8022626284 . . . . . . . . . . . 25339 1 >> 139 1 7.419 . 30.5772694559 . . . . . . . . . . . 25339 1 >> 139 2 119.826 . 31.7575836585 . . . . . . . . . . . 25339 1 >> 140 1 7.386 . 32.2926356892 . . . . . . . . . . . 25339 1 >> 140 2 119.619 . 32.8368388946 . . . . . . . . . . . 25339 1 >> 141 1 7.862 . 68.0957077308 . . . . . . . . . . . 25339 1 >> 141 2 119.823 . 31.5060125378 . . . . . . . . . . . 25339 1 >> 142 1 7.902 . 29.1456317283 . . . . . . . . . . . 25339 1 >> 142 2 119.729 . 32.0291772420 . . . . . . . . . . . 25339 1 >> 143 1 8.870 . 39.2229751759 . . . . . . . . . . . 25339 1 >> 143 2 116.218 . 34.7180605050 . . . . . . . . . . . 25339 1 >> 144 1 8.845 . 27.2271072214 . . . . . . . . . . . 25339 1 >> 144 2 115.936 . 32.7957261044 . . . . . . . . . . . 25339 1 >> 145 1 9.414 . 23.4827572918 . . . . . . . . . . . 25339 1 >> 145 2 125.871 . 29.0995794825 . . . . . . . . . . . 25339 1 >> 146 1 8.226 . 30.6088911062 . . . . . . . . . . . 25339 1 >> 146 2 117.501 . 31.5518417303 . . . . . . . . . . . 25339 1 >> 147 1 8.540 . 24.4422361320 . . . . . . . . . . . 25339 1 >> 147 2 118.338 . 28.8353719631 . . . . . . . . . . . 25339 1 >> 148 1 8.456 . 26.0293830711 . . . . . . . . . . . 25339 1 >> 148 2 119.820 . 35.2502130702 . . . . . . . . . . . 25339 1 >> 149 1 8.494 . 19.9203401446 . . . . . . . . . . . 25339 1 >> 149 2 119.652 . 28.0538729951 . . . . . . . . . . . 25339 1 >> 150 1 8.022 . 27.2344711673 . . . . . . . . . . . 25339 1 >> 150 2 119.904 . 30.7650924276 . . . . . . . . . . . 25339 1 >> 151 1 7.925 . 32.3563121631 . . . . . . . . . . . 25339 1 >> 151 2 120.170 . 55.7418243600 . . . . . . . . . . . 25339 1 >> 152 1 8.576 . 21.4269168516 . . . . . . . . . . . 25339 1 >> 152 2 123.857 . 29.5427433245 . . . . . . . . . . . 25339 1 >> 153 1 8.065 . 122.2003513280 . . . . . . . . . . . 25339 1 >> 153 2 119.872 . 33.4766678150 . . . . . . . . . . . 25339 1 >> 154 1 8.853 . 27.5082366874 . . . . . . . . . . . 25339 1 >> 154 2 123.429 . 31.2204477247 . . . . . . . . . . . 25339 1 >> 155 1 8.831 . 22.8637526587 . . . . . . . . . . . 25339 1 >> 155 2 124.219 . 29.7729571517 . . . . . . . . . . . 25339 1 >> 156 1 8.874 . 22.9859075268 . . . . . . . . . . . 25339 1 >> 156 2 124.390 . 30.3190809465 . . . . . . . . . . . 25339 1 >> 157 1 8.816 . 60.1729682338 . . . . . . . . . . . 25339 1 >> 157 2 123.589 . 31.2862103912 . . . . . . . . . . . 25339 1 >> 158 1 9.047 . 52.3888441901 . . . . . . . . . . . 25339 1 >> 158 2 125.655 . 29.1812711305 . . . . . . . . . . . 25339 1 >> 159 1 8.331 . 22.7909795457 . . . . . . . . . . . 25339 1 >> 159 2 113.134 . 33.1146616887 . . . . . . . . . . . 25339 1 >> 160 1 8.340 . 28.2922803446 . . . . . . . . . . . 25339 1 >> 160 2 113.477 . 67.9055149693 . . . . . . . . . . . 25339 1 >> 161 1 8.656 . 33.7472316013 . . . . . . . . . . . 25339 1 >> 161 2 122.211 . 30.4926089569 . . . . . . . . . . . 25339 1 >> 162 1 7.742 . 45.9557876418 . . . . . . . . . . . 25339 1 >> 162 2 109.783 . 67.3842190283 . . . . . . . . . . . 25339 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 9.674 . 1 1 1 140 VAL H . . . . . . 148 . 25339 1 >> 1 2 . 1 . . 133.977 . 1 1 1 140 VAL N . . . . . . 149 . 25339 1 >> 2 1 . 1 . . 9.266 . 1 1 1 98 GLU H . . . . . . 158 . 25339 1 >> 2 2 . 1 . . 131.855 . 1 1 1 98 GLU N . . . . . . 159 . 25339 1 >> 3 1 . 1 . . 9.308 . 1 1 1 23 ARG H . . . . . . 237 . 25339 1 >> 3 2 . 1 . . 130.724 . 1 1 1 23 ARG N . . . . . . 238 . 25339 1 >> 4 1 . 1 . . 9.036 . 1 1 1 70 LYS H . . . . . . 40 . 25339 1 >> 4 2 . 1 . . 129.417 . 1 1 1 70 LYS N . . . . . . 283 . 25339 1 >> 5 1 . 1 . . 9.580 . 1 1 1 34 ILE H . . . . . . 108 . 25339 1 >> 5 2 . 1 . . 128.753 . 1 1 1 34 ILE N . . . . . . 109 . 25339 1 >> 6 1 . 1 . . 8.468 . 1 1 1 188 ALA H . . . . . . 101 . 25339 1 >> 6 2 . 1 . . 128.539 . 1 1 1 188 ALA N . . . . . . 102 . 25339 1 >> 7 1 . 1 . . 9.261 . 1 1 1 68 VAL H . . . . . . 84 . 25339 1 >> 7 2 . 1 . . 128.367 . 1 1 1 68 VAL N . . . . . . 85 . 25339 1 >> 8 1 . 1 . . 8.081 . 1 1 1 185 VAL H . . . . . . 97 . 25339 1 >> 8 2 . 1 . . 128.309 . 1 1 1 185 VAL N . . . . . . 98 . 25339 1 >> 9 1 . 1 . . 8.896 . 1 1 1 28 ASP H . . . . . . 93 . 25339 1 >> 9 2 . 1 . . 127.898 . 1 1 1 28 ASP N . . . . . . 94 . 25339 1 >> 10 1 . 1 . . 9.356 . 1 1 1 144 VAL H . . . . . . 152 . 25339 1 >> 10 2 . 1 . . 127.620 . 1 1 1 144 VAL N . . . . . . 153 . 25339 1 >> 11 1 . 1 . . 8.975 . 1 1 1 14 VAL H . . . . . . 257 . 25339 1 >> 11 2 . 1 . . 127.251 . 1 1 1 14 VAL N . . . . . . 258 . 25339 1 >> 12 1 . 1 . . 8.742 . 1 1 1 178 ASP H . . . . . . 211 . 25339 1 >> 12 2 . 1 . . 126.841 . 1 1 1 178 ASP N . . . . . . 212 . 25339 1 >> 13 1 . 1 . . 8.809 . 1 1 1 24 ILE H . . . . . . 239 . 25339 1 >> 13 2 . 1 . . 126.516 . 1 1 1 24 ILE N . . . . . . 240 . 25339 1 >> 14 1 . 1 . . 8.761 . 1 1 1 26 ASP H . . . . . . 243 . 25339 1 >> 14 2 . 1 . . 126.429 . 1 1 1 26 ASP N . . . . . . 244 . 25339 1 >> 15 1 . 1 . . 7.521 . 1 1 1 190 TRP H . . . . . . 284 . 25339 1 >> 15 2 . 1 . . 125.749 . 1 1 1 190 TRP N . . . . . . 105 . 25339 1 >> 16 1 . 1 . . 8.501 . 1 1 1 52 ALA H . . . . . . 130 . 25339 1 >> 16 2 . 1 . . 125.684 . 1 1 1 52 ALA N . . . . . . 131 . 25339 1 >> 17 1 . 1 . . 8.911 . 1 1 1 145 ILE H . . . . . . 154 . 25339 1 >> 17 2 . 1 . . 125.370 . 1 1 1 145 ILE N . . . . . . 155 . 25339 1 >> 18 1 . 1 . . 8.599 . 1 1 1 166 LEU H . . . . . . 17 . 25339 1 >> 18 2 . 1 . . 125.360 . 1 1 1 166 LEU N . . . . . . 18 . 25339 1 >> 19 1 . 1 . . 9.783 . 1 1 1 169 CYS H . . . . . . 247 . 25339 1 >> 19 2 . 1 . . 125.200 . 1 1 1 169 CYS N . . . . . . 248 . 25339 1 >> 20 1 . 1 . . 8.295 . 1 1 1 186 GLU H . . . . . . 271 . 25339 1 >> 20 2 . 1 . . 125.170 . 1 1 1 186 GLU N . . . . . . 272 . 25339 1 >> 21 1 . 1 . . 8.743 . 1 1 1 172 ILE H . . . . . . 249 . 25339 1 >> 21 2 . 1 . . 125.077 . 1 1 1 172 ILE N . . . . . . 250 . 25339 1 >> 22 1 . 2 . . 8.471 . 1 1 1 69 ILE H . . . . . . 288 . 25339 1 >> 22 2 . 1 . . 125.082 . 1 1 1 69 ILE N . . . . . . 86 . 25339 1 >> 23 1 . 1 . . 9.188 . 1 1 1 21 ASP H . . . . . . 235 . 25339 1 >> 23 2 . 1 . . 124.953 . 1 1 1 21 ASP N . . . . . . 236 . 25339 1 >> 24 1 . 1 . . 8.835 . 1 1 1 45 VAL H . . . . . . 116 . 25339 1 >> 24 2 . 1 . . 124.905 . 1 1 1 45 VAL N . . . . . . 117 . 25339 1 >> 25 1 . 1 . . 10.160 . 1 1 1 78 ASP H . . . . . . 217 . 25339 1 >> 25 2 . 1 . . 124.858 . 1 1 1 78 ASP N . . . . . . 218 . 25339 1 >> 26 1 . 1 . . 8.336 . 1 1 1 187 ILE H . . . . . . 99 . 25339 1 >> 26 2 . 1 . . 124.760 . 1 1 1 187 ILE N . . . . . . 100 . 25339 1 >> 27 1 . 1 . . 7.257 . 1 1 1 150 VAL H . . . . . . 245 . 25339 1 >> 27 2 . 1 . . 124.580 . 1 1 1 150 VAL N . . . . . . 246 . 25339 1 >> 28 1 . 1 . . 8.733 . 1 1 1 61 LYS H . . . . . . 71 . 25339 1 >> 28 2 . 1 . . 124.423 . 1 1 1 61 LYS N . . . . . . 72 . 25339 1 >> 29 1 . 1 . . 8.473 . 1 1 1 158 ALA H . . . . . . 187 . 25339 1 >> 29 2 . 1 . . 124.200 . 1 1 1 158 ALA N . . . . . . 188 . 25339 1 >> 30 1 . 1 . . 8.348 . 1 1 1 4 ALA H . . . . . . 201 . 25339 1 >> 30 2 . 1 . . 124.044 . 1 1 1 4 ALA N . . . . . . 202 . 25339 1 >> 31 1 . 1 . . 10.174 . 1 1 1 44 THR H . . . . . . 114 . 25339 1 >> 31 2 . 1 . . 123.887 . 1 1 1 44 THR N . . . . . . 115 . 25339 1 >> 32 1 . 1 . . 7.079 . 1 1 1 67 ARG H . . . . . . 82 . 25339 1 >> 32 2 . 1 . . 123.821 . 1 1 1 67 ARG N . . . . . . 83 . 25339 1 >> 33 1 . 1 . . 9.264 . 1 1 1 93 GLU H . . . . . . 176 . 25339 1 >> 33 2 . 1 . . 123.678 . 1 1 1 93 GLU N . . . . . . 177 . 25339 1 >> 34 1 . 1 . . 8.206 . 1 1 1 36 LEU H . . . . . . 43 . 25339 1 >> 34 2 . 1 . . 123.563 . 1 1 1 36 LEU N . . . . . . 44 . 25339 1 >> 35 1 . 1 . . 7.790 . 1 1 1 16 ALA H . . . . . . 261 . 25339 1 >> 35 2 . 1 . . 123.295 . 1 1 1 16 ALA N . . . . . . 262 . 25339 1 >> 36 1 . 1 . . 8.167 . 1 1 1 8 ARG H . . . . . . 267 . 25339 1 >> 36 2 . 1 . . 122.904 . 1 1 1 8 ARG N . . . . . . 268 . 25339 1 >> 37 1 . 1 . . 7.657 . 1 1 1 154 ILE H . . . . . . 231 . 25339 1 >> 37 2 . 1 . . 122.548 . 1 1 1 154 ILE N . . . . . . 232 . 25339 1 >> 38 1 . 1 . . 7.459 . 1 1 1 135 ASP H . . . . . . 3 . 25339 1 >> 38 2 . 1 . . 122.396 . 1 1 1 135 ASP N . . . . . . 4 . 25339 1 >> 39 1 . 1 . . 7.556 . 1 1 1 37 PHE H . . . . . . 45 . 25339 1 >> 39 2 . 1 . . 121.962 . 1 1 1 37 PHE N . . . . . . 46 . 25339 1 >> 40 1 . 1 . . 8.981 . 1 1 1 148 MET H . . . . . . 38 . 25339 1 >> 40 2 . 1 . . 121.928 . 1 1 1 148 MET N . . . . . . 39 . 25339 1 >> 41 1 . 1 . . 8.129 . 1 1 1 130 LYS H . . . . . . 29 . 25339 1 >> 41 2 . 1 . . 121.929 . 1 1 1 130 LYS N . . . . . . 30 . 25339 1 >> 42 1 . 1 . . 10.783 . 1 1 1 43 LYS H . . . . . . 112 . 25339 1 >> 42 2 . 1 . . 121.721 . 1 1 1 43 LYS N . . . . . . 113 . 25339 1 >> 43 1 . 1 . . 8.411 . 1 1 1 128 LEU H . . . . . . 25 . 25339 1 >> 43 2 . 1 . . 121.723 . 1 1 1 128 LEU N . . . . . . 26 . 25339 1 >> 44 1 . 1 . . 8.505 . 1 1 1 184 VAL H . . . . . . 89 . 25339 1 >> 44 2 . 1 . . 121.522 . 1 1 1 184 VAL N . . . . . . 90 . 25339 1 >> 45 1 . 1 . . 8.353 . 1 1 1 110 VAL H . . . . . . 136 . 25339 1 >> 45 2 . 1 . . 121.302 . 1 1 1 110 VAL N . . . . . . 137 . 25339 1 >> 46 1 . 1 . . 8.457 . 1 1 1 164 ARG H . . . . . . 197 . 25339 1 >> 46 2 . 1 . . 121.223 . 1 1 1 164 ARG N . . . . . . 198 . 25339 1 >> 47 1 . 1 . . 8.164 . 1 1 1 111 SER H . . . . . . 140 . 25339 1 >> 47 2 . 1 . . 121.213 . 1 1 1 111 SER N . . . . . . 141 . 25339 1 >> 48 1 . 1 . . 7.927 . 1 1 1 27 LYS H . . . . . . 91 . 25339 1 >> 48 2 . 1 . . 120.705 . 1 1 1 27 LYS N . . . . . . 92 . 25339 1 >> 49 1 . 1 . . 8.647 . 1 1 1 65 PHE H . . . . . . 79 . 25339 1 >> 49 2 . 1 . . 120.646 . 1 1 1 65 PHE N . . . . . . 286 . 25339 1 >> 50 1 . 1 . . 7.693 . 1 1 1 66 HIS H . . . . . . 80 . 25339 1 >> 50 2 . 1 . . 120.625 . 1 1 1 66 HIS N . . . . . . 81 . 25339 1 >> 51 1 . 1 . . 8.323 . 1 1 1 51 LEU H . . . . . . 128 . 25339 1 >> 51 2 . 1 . . 120.465 . 1 1 1 51 LEU N . . . . . . 129 . 25339 1 >> 52 1 . 1 . . 9.291 . 1 1 1 97 ASP H . . . . . . 156 . 25339 1 >> 52 2 . 1 . . 120.361 . 1 1 1 97 ASP N . . . . . . 157 . 25339 1 >> 53 1 . 1 . . 8.107 . 1 1 1 31 ARG H . . . . . . 106 . 25339 1 >> 53 2 . 1 . . 119.975 . 1 1 1 31 ARG N . . . . . . 107 . 25339 1 >> 54 1 . 1 . . 8.622 . 1 1 1 46 GLU H . . . . . . 118 . 25339 1 >> 54 2 . 1 . . 119.725 . 1 1 1 46 GLU N . . . . . . 119 . 25339 1 >> 55 1 . 1 . . 9.080 . 1 1 1 81 THR H . . . . . . 55 . 25339 1 >> 55 2 . 1 . . 119.458 . 1 1 1 81 THR N . . . . . . 56 . 25339 1 >> 56 1 . 1 . . 7.718 . 1 1 1 157 GLN H . . . . . . 185 . 25339 1 >> 56 2 . 1 . . 119.491 . 1 1 1 157 GLN N . . . . . . 186 . 25339 1 >> 57 1 . 1 . . 9.292 . 1 1 1 25 GLY H . . . . . . 241 . 25339 1 >> 57 2 . 1 . . 119.224 . 1 1 1 25 GLY N . . . . . . 242 . 25339 1 >> 58 1 . 1 . . 7.271 . 1 1 1 151 VAL H . . . . . . 225 . 25339 1 >> 58 2 . 1 . . 119.235 . 1 1 1 151 VAL N . . . . . . 226 . 25339 1 >> 59 1 . 1 . . 7.145 . 1 1 1 134 LEU H . . . . . . 170 . 25339 1 >> 59 2 . 1 . . 119.216 . 1 1 1 134 LEU N . . . . . . 171 . 25339 1 >> 60 1 . 1 . . 8.722 . 1 1 1 162 HIS H . . . . . . 275 . 25339 1 >> 60 2 . 1 . . 119.147 . 1 1 1 162 HIS N . . . . . . 276 . 25339 1 >> 61 1 . 1 . . 8.398 . 1 1 1 160 ASP H . . . . . . 191 . 25339 1 >> 61 2 . 1 . . 119.118 . 1 1 1 160 ASP N . . . . . . 192 . 25339 1 >> 62 1 . 1 . . 8.676 . 1 1 1 18 VAL H . . . . . . 265 . 25339 1 >> 62 2 . 1 . . 118.997 . 1 1 1 18 VAL N . . . . . . 266 . 25339 1 >> 63 1 . 1 . . 7.347 . 1 1 1 138 HIS H . . . . . . 15 . 25339 1 >> 63 2 . 1 . . 118.819 . 1 1 1 138 HIS N . . . . . . 16 . 25339 1 >> 64 1 . 1 . . 8.754 . 1 1 1 176 LYS H . . . . . . 209 . 25339 1 >> 64 2 . 1 . . 118.761 . 1 1 1 176 LYS N . . . . . . 210 . 25339 1 >> 65 1 . 1 . . 5.759 . 1 1 1 103 LYS H . . . . . . 61 . 25339 1 >> 65 2 . 1 . . 118.507 . 1 1 1 103 LYS N . . . . . . 62 . 25339 1 >> 66 1 . 1 . . 9.722 . 1 1 1 71 ASP H . . . . . . 324 . 25339 1 >> 66 2 . 1 . . 118.419 . 1 1 1 71 ASP N . . . . . . 323 . 25339 1 >> 67 1 . 1 . . 9.308 . 1 1 1 170 SER H . . . . . . 9 . 25339 1 >> 67 2 . 1 . . 118.322 . 1 1 1 170 SER N . . . . . . 10 . 25339 1 >> 68 1 . 1 . . 6.901 . 1 1 1 120 ASN H . . . . . . 5 . 25339 1 >> 68 2 . 1 . . 118.269 . 1 1 1 120 ASN N . . . . . . 6 . 25339 1 >> 69 1 . 1 . . 7.695 . 1 1 1 132 THR H . . . . . . 166 . 25339 1 >> 69 2 . 1 . . 118.021 . 1 1 1 132 THR N . . . . . . 167 . 25339 1 >> 70 1 . 1 . . 7.252 . 1 1 1 133 TRP H . . . . . . 168 . 25339 1 >> 70 2 . 1 . . 117.976 . 1 1 1 133 TRP N . . . . . . 169 . 25339 1 >> 71 1 . 1 . . 9.075 . 1 1 1 126 ILE H . . . . . . 21 . 25339 1 >> 71 2 . 1 . . 117.948 . 1 1 1 126 ILE N . . . . . . 22 . 25339 1 >> 72 1 . 1 . . 7.946 . 1 1 1 155 GLU H . . . . . . 233 . 25339 1 >> 72 2 . 1 . . 117.919 . 1 1 1 155 GLU N . . . . . . 234 . 25339 1 >> 73 1 . 1 . . 8.158 . 1 1 1 17 LYS H . . . . . . 263 . 25339 1 >> 73 2 . 1 . . 117.879 . 1 1 1 17 LYS N . . . . . . 264 . 25339 1 >> 74 1 . 1 . . 9.215 . 1 1 1 56 LYS H . . . . . . 138 . 25339 1 >> 74 2 . 1 . . 117.480 . 1 1 1 56 LYS N . . . . . . 139 . 25339 1 >> 75 1 . 1 . . 7.663 . 1 1 1 83 ASP H . . . . . . 59 . 25339 1 >> 75 2 . 1 . . 117.344 . 1 1 1 83 ASP N . . . . . . 60 . 25339 1 >> 76 1 . 1 . . 9.268 . 1 1 1 62 GLY H . . . . . . 73 . 25339 1 >> 76 2 . 1 . . 117.164 . 1 1 1 62 GLY N . . . . . . 74 . 25339 1 >> 77 1 . 1 . . 7.983 . 1 1 1 153 SER H . . . . . . 229 . 25339 1 >> 77 2 . 1 . . 117.154 . 1 1 1 153 SER N . . . . . . 230 . 25339 1 >> 78 1 . 1 . . 9.617 . 1 1 1 104 HIS H . . . . . . 63 . 25339 1 >> 78 2 . 1 . . 116.567 . 1 1 1 104 HIS N . . . . . . 64 . 25339 1 >> 79 1 . 1 . . 8.638 . 1 1 1 122 SER H . . . . . . 7 . 25339 1 >> 79 2 . 1 . . 116.590 . 1 1 1 122 SER N . . . . . . 8 . 25339 1 >> 80 1 . 1 . . 8.298 . 1 1 1 63 SER H . . . . . . 75 . 25339 1 >> 80 2 . 1 . . 116.594 . 1 1 1 63 SER N . . . . . . 76 . 25339 1 >> 81 1 . 1 . . 9.191 . 1 1 1 39 LYS H . . . . . . 49 . 25339 1 >> 81 2 . 1 . . 116.547 . 1 1 1 39 LYS N . . . . . . 50 . 25339 1 >> 82 1 . 1 . . 5.997 . 1 1 1 105 TYR H . . . . . . 65 . 25339 1 >> 82 2 . 1 . . 116.552 . 1 1 1 105 TYR N . . . . . . 66 . 25339 1 >> 83 1 . 1 . . 10.001 . 1 1 1 125 PHE H . . . . . . 19 . 25339 1 >> 83 2 . 1 . . 116.488 . 1 1 1 125 PHE N . . . . . . 20 . 25339 1 >> 84 1 . 1 . . 7.069 . 1 1 1 183 PHE H . . . . . . 41 . 25339 1 >> 84 2 . 1 . . 116.479 . 1 1 1 183 PHE N . . . . . . 42 . 25339 1 >> 85 1 . 1 . . 7.321 . 1 1 1 88 VAL H . . . . . . 205 . 25339 1 >> 85 2 . 1 . . 115.919 . 1 1 1 88 VAL N . . . . . . 206 . 25339 1 >> 86 1 . 1 . . 7.543 . 1 1 1 89 SER H . . . . . . 172 . 25339 1 >> 86 2 . 1 . . 115.798 . 1 1 1 89 SER N . . . . . . 173 . 25339 1 >> 87 1 . 1 . . 9.529 . 1 1 1 127 THR H . . . . . . 23 . 25339 1 >> 87 2 . 1 . . 115.661 . 1 1 1 127 THR N . . . . . . 24 . 25339 1 >> 88 1 . 1 . . 8.941 . 1 1 1 20 PHE H . . . . . . 251 . 25339 1 >> 88 2 . 1 . . 115.625 . 1 1 1 20 PHE N . . . . . . 252 . 25339 1 >> 89 1 . 1 . . 7.681 . 1 1 1 129 THR H . . . . . . 27 . 25339 1 >> 89 2 . 1 . . 115.524 . 1 1 1 129 THR N . . . . . . 28 . 25339 1 >> 90 1 . 1 . . 8.354 . 1 1 1 189 ASP H . . . . . . 103 . 25339 1 >> 90 2 . 1 . . 115.436 . 1 1 1 189 ASP N . . . . . . 104 . 25339 1 >> 91 1 . 1 . . 8.446 . 1 1 1 152 HIS H . . . . . . 227 . 25339 1 >> 91 2 . 1 . . 115.264 . 1 1 1 152 HIS N . . . . . . 228 . 25339 1 >> 92 1 . 1 . . 6.399 . 1 1 1 58 TYR H . . . . . . 67 . 25339 1 >> 92 2 . 1 . . 115.031 . 1 1 1 58 TYR N . . . . . . 68 . 25339 1 >> 93 1 . 1 . . 9.336 . 1 1 1 108 GLY H . . . . . . 273 . 25339 1 >> 93 2 . 1 . . 114.907 . 1 1 1 108 GLY N . . . . . . 274 . 25339 1 >> 94 1 . 1 . . 8.547 . 1 1 1 64 LYS H . . . . . . 77 . 25339 1 >> 94 2 . 1 . . 114.891 . 1 1 1 64 LYS N . . . . . . 78 . 25339 1 >> 95 1 . 1 . . 8.498 . 1 1 1 73 MET H . . . . . . 13 . 25339 1 >> 95 2 . 1 . . 114.816 . 1 1 1 73 MET N . . . . . . 14 . 25339 1 >> 96 1 . 1 . . 7.230 . 1 1 1 47 ASN H . . . . . . 120 . 25339 1 >> 96 2 . 1 . . 114.754 . 1 1 1 47 ASN N . . . . . . 121 . 25339 1 >> 97 1 . 1 . . 7.828 . 1 1 1 137 LYS H . . . . . . 164 . 25339 1 >> 97 2 . 1 . . 114.696 . 1 1 1 137 LYS N . . . . . . 165 . 25339 1 >> 98 1 . 1 . . 7.741 . 1 1 1 173 ASN H . . . . . . 213 . 25339 1 >> 98 2 . 1 . . 114.523 . 1 1 1 173 ASN N . . . . . . 214 . 25339 1 >> 99 1 . 1 . . 8.300 . 1 1 1 72 PHE H . . . . . . 281 . 25339 1 >> 99 2 . 1 . . 114.251 . 1 1 1 72 PHE N . . . . . . 282 . 25339 1 >> 100 1 . 1 . . 7.858 . 1 1 1 102 LEU H . . . . . . 87 . 25339 1 >> 100 2 . 1 . . 114.136 . 1 1 1 102 LEU N . . . . . . 88 . 25339 1 >> 101 1 . 1 . . 9.372 . 1 1 1 35 GLY H . . . . . . 110 . 25339 1 >> 101 2 . 1 . . 114.019 . 1 1 1 35 GLY N . . . . . . 111 . 25339 1 >> 102 1 . 1 . . 7.306 . 1 1 1 60 TYR H . . . . . . 36 . 25339 1 >> 102 2 . 1 . . 113.892 . 1 1 1 60 TYR N . . . . . . 37 . 25339 1 >> 103 1 . 1 . . 7.738 . 1 1 1 181 THR H . . . . . . 181 . 25339 1 >> 103 2 . 1 . . 113.724 . 1 1 1 181 THR N . . . . . . 182 . 25339 1 >> 104 1 . 1 . . 8.530 . 1 1 1 15 THR H . . . . . . 259 . 25339 1 >> 104 2 . 1 . . 113.618 . 1 1 1 15 THR N . . . . . . 260 . 25339 1 >> 105 1 . 1 . . 8.187 . 1 1 1 85 THR H . . . . . . 195 . 25339 1 >> 105 2 . 1 . . 113.451 . 1 1 1 85 THR N . . . . . . 196 . 25339 1 >> 106 1 . 1 . . 8.644 . 1 1 1 86 GLY H . . . . . . 199 . 25339 1 >> 106 2 . 1 . . 113.348 . 1 1 1 86 GLY N . . . . . . 200 . 25339 1 >> 107 1 . 1 . . 7.089 . 1 1 1 156 LEU H . . . . . . 183 . 25339 1 >> 107 2 . 1 . . 113.026 . 1 1 1 156 LEU N . . . . . . 184 . 25339 1 >> 108 1 . 1 . . 9.607 . 1 1 1 136 GLY H . . . . . . 162 . 25339 1 >> 108 2 . 1 . . 111.966 . 1 1 1 136 GLY N . . . . . . 163 . 25339 1 >> 109 1 . 1 . . 8.196 . 1 1 1 13 SER H . . . . . . 255 . 25339 1 >> 109 2 . 1 . . 111.845 . 1 1 1 13 SER N . . . . . . 256 . 25339 1 >> 110 1 . 1 . . 8.513 . 1 1 1 159 THR H . . . . . . 189 . 25339 1 >> 110 2 . 1 . . 111.776 . 1 1 1 159 THR N . . . . . . 190 . 25339 1 >> 111 1 . 1 . . 8.668 . 1 1 1 3 GLY H . . . . . . 277 . 25339 1 >> 111 2 . 1 . . 111.502 . 1 1 1 3 GLY N . . . . . . 278 . 25339 1 >> 112 1 . 1 . . 7.428 . 1 1 1 41 VAL H . . . . . . 53 . 25339 1 >> 112 2 . 1 . . 111.417 . 1 1 1 41 VAL N . . . . . . 54 . 25339 1 >> 113 1 . 1 . . 8.193 . 1 1 1 116 GLY H . . . . . . 144 . 25339 1 >> 113 2 . 1 . . 110.770 . 1 1 1 116 GLY N . . . . . . 145 . 25339 1 >> 114 1 . 1 . . 10.247 . 1 1 1 119 THR H . . . . . . 1 . 25339 1 >> 114 2 . 1 . . 110.507 . 1 1 1 119 THR N . . . . . . 2 . 25339 1 >> 115 1 . 1 . . 8.413 . 1 1 1 147 GLY H . . . . . . 34 . 25339 1 >> 115 2 . 1 . . 109.476 . 1 1 1 147 GLY N . . . . . . 35 . 25339 1 >> 116 1 . 1 . . 7.757 . 1 1 1 54 GLY H . . . . . . 134 . 25339 1 >> 116 2 . 1 . . 109.446 . 1 1 1 54 GLY N . . . . . . 135 . 25339 1 >> 117 1 . 1 . . 8.360 . 1 1 1 6 GLY H . . . . . . 269 . 25339 1 >> 117 2 . 1 . . 109.311 . 1 1 1 6 GLY N . . . . . . 270 . 25339 1 >> 118 1 . 1 . . 7.956 . 1 1 1 38 GLY H . . . . . . 47 . 25339 1 >> 118 2 . 1 . . 108.801 . 1 1 1 38 GLY N . . . . . . 48 . 25339 1 >> 119 1 . 1 . . 7.692 . 1 1 1 11 GLY H . . . . . . 221 . 25339 1 >> 119 2 . 1 . . 108.728 . 1 1 1 11 GLY N . . . . . . 222 . 25339 1 >> 120 1 . 1 . . 7.526 . 1 1 1 142 GLY H . . . . . . 150 . 25339 1 >> 120 2 . 1 . . 108.611 . 1 1 1 142 GLY N . . . . . . 151 . 25339 1 >> 121 1 . 1 . . 7.752 . 1 1 1 30 GLY H . . . . . . 95 . 25339 1 >> 121 2 . 1 . . 108.096 . 1 1 1 30 GLY N . . . . . . 96 . 25339 1 >> 122 1 . 1 . . 8.527 . 1 1 1 82 GLY H . . . . . . 57 . 25339 1 >> 122 2 . 1 . . 107.986 . 1 1 1 82 GLY N . . . . . . 58 . 25339 1 >> 123 1 . 1 . . 8.274 . 1 1 1 87 GLY H . . . . . . 203 . 25339 1 >> 123 2 . 1 . . 107.048 . 1 1 1 87 GLY N . . . . . . 204 . 25339 1 >> 124 1 . 1 . . 8.702 . 1 1 1 53 THR H . . . . . . 132 . 25339 1 >> 124 2 . 1 . . 106.988 . 1 1 1 53 THR N . . . . . . 133 . 25339 1 >> 125 1 . 1 . . 7.135 . 1 1 1 92 GLY H . . . . . . 174 . 25339 1 >> 125 2 . 1 . . 106.447 . 1 1 1 92 GLY N . . . . . . 175 . 25339 1 >> 126 1 . 1 . . 6.981 . 1 1 1 99 ASN H . . . . . . 160 . 25339 1 >> 126 2 . 1 . . 106.415 . 1 1 1 99 ASN N . . . . . . 161 . 25339 1 >> 127 1 . 1 . . 7.903 . 1 1 1 57 GLY H . . . . . . 146 . 25339 1 >> 127 2 . 1 . . 105.660 . 1 1 1 57 GLY N . . . . . . 147 . 25339 1 >> 128 1 . 1 . . 6.690 . 1 1 1 175 GLY H . . . . . . 207 . 25339 1 >> 128 2 . 1 . . 105.502 . 1 1 1 175 GLY N . . . . . . 208 . 25339 1 >> 129 1 . 1 . . 8.651 . 1 1 1 59 GLY H . . . . . . 69 . 25339 1 >> 129 2 . 1 . . 105.188 . 1 1 1 59 GLY N . . . . . . 70 . 25339 1 >> 130 1 . 1 . . 8.554 . 1 1 1 161 GLY H . . . . . . 279 . 25339 1 >> 130 2 . 1 . . 104.899 . 1 1 1 161 GLY N . . . . . . 280 . 25339 1 >> 131 1 . 1 . . 9.419 . 1 1 1 121 GLY H . . . . . . 11 . 25339 1 >> 131 2 . 1 . . 110.406 . 1 1 1 121 GLY N . . . . . . 12 . 25339 1 >> 132 1 . 1 . . 7.402 . 1 1 1 94 THR H . . . . . . 178 . 25339 1 >> 132 2 . 1 . . 101.465 . 1 1 1 94 THR N . . . . . . 290 . 25339 1 >> 133 1 . 1 . . 6.933 . 1 1 1 106 GLY H . . . . . . 285 . 25339 1 >> 133 2 . 1 . . 100.417 . 1 1 1 106 GLY N . . . . . . 289 . 25339 1 >> 134 1 . 1 . . 7.920 . 1 1 1 74 ILE H . . . . . . 215 . 25339 1 >> 134 2 . 1 . . 111.522 . 1 1 1 74 ILE N . . . . . . 216 . 25339 1 >> 135 1 . 1 . . 9.669 . 1 1 1 84 GLY H . . . . . . 193 . 25339 1 >> 135 2 . 1 . . 111.285 . 1 1 1 84 GLY N . . . . . . 194 . 25339 1 >> 136 1 . 1 . . 8.527 . 1 1 1 168 ASN H . . . . . . 253 . 25339 1 >> 136 2 . 1 . . 120.402 . 1 1 1 168 ASN N . . . . . . 254 . 25339 1 >> 137 1 . 1 . . 8.748 . 1 1 1 33 VAL H . . . . . . 219 . 25339 1 >> 137 2 . 1 . . 125.699 . 1 1 1 33 VAL N . . . . . . 220 . 25339 1 >> 138 1 . 1 . . 8.314 . 1 1 1 113 ALA H . . . . . . 142 . 25339 1 >> 138 2 . 1 . . 126.940 . 1 1 1 113 ALA N . . . . . . 143 . 25339 1 >> 139 1 . 1 . . 7.419 . 1 1 1 48 PHE H . . . . . . 122 . 25339 1 >> 139 2 . 1 . . 119.826 . 1 1 1 48 PHE N . . . . . . 123 . 25339 1 >> 140 1 . 2 . . 7.386 . 1 1 1 40 VAL H . . . . . . 51 . 25339 1 >> 140 2 . 1 . . 119.619 . 1 1 1 40 VAL N . . . . . . 52 . 25339 1 >> 141 1 . 1 . . 7.862 . 1 1 1 146 ASP H . . . . . . 33 . 25339 1 >> 141 2 . 1 . . 119.823 . 1 1 1 146 ASP N . . . . . . 287 . 25339 1 >> 142 1 . 1 . . 7.902 . 1 1 1 50 ALA H . . . . . . 126 . 25339 1 >> 142 2 . 1 . . 119.729 . 1 1 1 50 ALA N . . . . . . 127 . 25339 1 >> 143 1 . 1 . . 8.870 . 1 1 1 95 PHE H . . . . . . 179 . 25339 1 >> 143 2 . 1 . . 116.218 . 1 1 1 95 PHE N . . . . . . 180 . 25339 1 >> 144 1 . 1 . . 8.845 . 1 1 1 49 VAL H . . . . . . 124 . 25339 1 >> 144 2 . 1 . . 115.936 . 1 1 1 49 VAL N . . . . . . 125 . 25339 1 >> 145 1 . 1 . . 9.414 . 1 1 1 32 ILE H . . . . . . 292 . 25339 1 >> 145 2 . 1 . . 125.871 . 1 1 1 32 ILE N . . . . . . 291 . 25339 1 >> 146 1 . 1 . . 8.226 . 1 1 1 141 PHE H . . . . . . 294 . 25339 1 >> 146 2 . 1 . . 117.501 . 1 1 1 141 PHE N . . . . . . 293 . 25339 1 >> 147 1 . 1 . . 8.540 . 1 1 1 143 LYS H . . . . . . 300 . 25339 1 >> 147 2 . 1 . . 118.338 . 1 1 1 143 LYS N . . . . . . 299 . 25339 1 >> 148 1 . 1 . . 8.456 . 1 1 1 101 LYS H . . . . . . 304 . 25339 1 >> 148 2 . 1 . . 119.820 . 1 1 1 101 LYS N . . . . . . 303 . 25339 1 >> 149 1 . 1 . . 8.494 . 1 1 1 5 GLU H . . . . . . 302 . 25339 1 >> 149 2 . 1 . . 119.652 . 1 1 1 5 GLU N . . . . . . 301 . 25339 1 >> 150 1 . 1 . . 8.022 . 1 1 1 55 GLU H . . . . . . 306 . 25339 1 >> 150 2 . 1 . . 119.904 . 1 1 1 55 GLU N . . . . . . 305 . 25339 1 >> 151 1 . 1 . . 7.925 . 1 1 1 91 TYR H . . . . . . 308 . 25339 1 >> 151 2 . 1 . . 120.170 . 1 1 1 91 TYR N . . . . . . 307 . 25339 1 >> 152 1 . 1 . . 8.576 . 1 1 1 115 ALA H . . . . . . 318 . 25339 1 >> 152 2 . 1 . . 123.857 . 1 1 1 115 ALA N . . . . . . 317 . 25339 1 >> 153 1 . 1 . . 8.065 . 1 1 1 7 PHE H . . . . . . 310 . 25339 1 >> 153 2 . 1 . . 119.872 . 1 1 1 7 PHE N . . . . . . 309 . 25339 1 >> 154 1 . 1 . . 8.853 . 1 1 1 171 ILE H . . . . . . 314 . 25339 1 >> 154 2 . 1 . . 123.429 . 1 1 1 171 ILE N . . . . . . 313 . 25339 1 >> 155 1 . 2 . . 8.831 . 1 1 1 179 VAL H . . . . . . 350 . 25339 1 >> 155 2 . 2 . . 124.219 . 1 1 1 179 VAL N . . . . . . 349 . 25339 1 >> 156 1 . 1 . . 8.874 . 1 1 1 107 ILE H . . . . . . 348 . 25339 1 >> 156 2 . 1 . . 124.390 . 1 1 1 107 ILE N . . . . . . 347 . 25339 1 >> 157 1 . 1 . . 8.816 . 1 1 1 22 VAL H . . . . . . 315 . 25339 1 >> 157 2 . 1 . . 123.589 . 1 1 1 22 VAL N . . . . . . 316 . 25339 1 >> 158 1 . 1 . . 9.047 . 1 1 1 75 GLN H . . . . . . 326 . 25339 1 >> 158 2 . 1 . . 125.655 . 1 1 1 75 GLN N . . . . . . 325 . 25339 1 >> 159 1 . 1 . . 8.331 . 1 1 1 100 PHE H . . . . . . 334 . 25339 1 >> 159 2 . 1 . . 113.134 . 1 1 1 100 PHE N . . . . . . 333 . 25339 1 >> 160 1 . 1 . . 8.340 . 1 1 1 163 ASP H . . . . . . 332 . 25339 1 >> 160 2 . 1 . . 113.477 . 1 1 1 163 ASP N . . . . . . 331 . 25339 1 >> 161 1 . 1 . . 8.656 . 1 1 1 10 ARG H . . . . . . 346 . 25339 1 >> 161 2 . 1 . . 122.211 . 1 1 1 10 ARG N . . . . . . 345 . 25339 1 >> 162 1 . 1 . . 7.742 . 1 1 1 76 GLY H . . . . . . 31 . 25339 1 >> 162 2 . 1 . . 109.783 . 1 1 1 76 GLY N . . . . . . 32 . 25339 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H 3 N 15N stop_ _Sample_label $CypC-GSFGPDLRAGD _Sample_conditions_label $sample_conditions _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2 >> _Spectral_peak_list.Entry_ID 25339 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $CypC-GSFGPDLRAGD >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Folding_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 5855.12353516 . . . 25339 2 >> 2 H 1 1H . . 11000.00000000 . . . 25339 2 >> 3 N 15 15N . . 2454.43896484 . . . 25339 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25339 2 >> 10 1.0 . 25339 2 >> 11 1.0 . 25339 2 >> 12 1.0 . 25339 2 >> 13 1.0 . 25339 2 >> 2 1.0 . 25339 2 >> 3 1.0 . 25339 2 >> 4 1.0 . 25339 2 >> 5 1.0 . 25339 2 >> 6 1.0 . 25339 2 >> 7 1.0 . 25339 2 >> 8 1.0 . 25339 2 >> 9 1.0 . 25339 2 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 110208.1250000 . height 25339 2 >> 1 2112807.6796900 . volume 25339 2 >> 2 312976.9687500 . height 25339 2 >> 2 5668152.8593800 . volume 25339 2 >> 3 413540.6250000 . height 25339 2 >> 3 7213332.6562500 . volume 25339 2 >> 4 16309.0263672 . height 25339 2 >> 4 171421.0305180 . volume 25339 2 >> 5 63710.8593750 . height 25339 2 >> 5 1146447.0664100 . volume 25339 2 >> 6 24807.0859375 . height 25339 2 >> 6 337438.8569340 . volume 25339 2 >> 7 48932.6992188 . height 25339 2 >> 7 834832.9941410 . volume 25339 2 >> 8 113619.9140620 . height 25339 2 >> 8 2072567.1328100 . volume 25339 2 >> 9 63279.7460938 . height 25339 2 >> 9 1113788.4257800 . volume 25339 2 >> 10 78478.8671875 . height 25339 2 >> 10 1417694.8886700 . volume 25339 2 >> 11 56929.3398438 . height 25339 2 >> 11 872553.2988280 . volume 25339 2 >> 12 36277.8398438 . height 25339 2 >> 12 692752.2216800 . volume 25339 2 >> 13 43335.9921875 . height 25339 2 >> 13 753296.5556640 . volume 25339 2 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.357 . 40.3451573878 . . . . . . . . . . . 25339 2 >> 1 2 8.736 . 191.9497251510 . . . . . . . . . . . 25339 2 >> 1 3 123.143 . 85.1118700732 . . . . . . . . . . . 25339 2 >> 2 1 8.192 . 25.1877565843 . . . . . . . . . . . 25339 2 >> 2 2 8.592 . 176.9330203530 . . . . . . . . . . . 25339 2 >> 2 3 117.086 . 85.6720860794 . . . . . . . . . . . 25339 2 >> 3 1 8.300 . 23.1280151951 . . . . . . . . . . . 25339 2 >> 3 2 7.750 . 174.0760207180 . . . . . . . . . . . 25339 2 >> 3 3 117.949 . 87.7074530420 . . . . . . . . . . . 25339 2 >> 4 1 8.305 . 15.3958629769 . . . . . . . . . . . 25339 2 >> 4 2 9.991 . 118.1729957460 . . . . . . . . . . . 25339 2 >> 4 3 118.294 . 85.1372280400 . . . . . . . . . . . 25339 2 >> 5 1 8.676 . 22.6651689965 . . . . . . . . . . . 25339 2 >> 5 2 8.156 . 337.3337984090 . . . . . . . . . . . 25339 2 >> 5 3 119.027 . 88.2667912724 . . . . . . . . . . . 25339 2 >> 6 1 8.109 . 14.1112860916 . . . . . . . . . . . 25339 2 >> 6 2 9.422 . 169.8496118190 . . . . . . . . . . . 25339 2 >> 6 3 120.068 . 86.0932233904 . . . . . . . . . . . 25339 2 >> 7 1 8.337 . 28.8894432387 . . . . . . . . . . . 25339 2 >> 7 2 6.975 . 166.6878163810 . . . . . . . . . . . 25339 2 >> 7 3 123.246 . 83.6651005335 . . . . . . . . . . . 25339 2 >> 8 1 7.968 . 25.1275454270 . . . . . . . . . . . 25339 2 >> 8 2 9.084 . 196.2511241440 . . . . . . . . . . . 25339 2 >> 8 3 108.860 . 85.2692845290 . . . . . . . . . . . 25339 2 >> 9 1 8.628 . 26.2691749604 . . . . . . . . . . . 25339 2 >> 9 2 7.925 . 176.6128987070 . . . . . . . . . . . 25339 2 >> 9 3 112.117 . 80.8164255493 . . . . . . . . . . . 25339 2 >> 10 1 8.626 . 26.2308390796 . . . . . . . . . . . 25339 2 >> 10 2 8.984 . 169.1053658720 . . . . . . . . . . . 25339 2 >> 10 3 111.945 . 79.4348064783 . . . . . . . . . . . 25339 2 >> 11 1 8.591 . 15.6503525807 . . . . . . . . . . . 25339 2 >> 11 2 8.326 . 428.1688481570 . . . . . . . . . . . 25339 2 >> 11 3 124.072 . 97.4638332587 . . . . . . . . . . . 25339 2 >> 12 1 8.538 . 28.1731903707 . . . . . . . . . . . 25339 2 >> 12 2 10.236 . 145.3987844290 . . . . . . . . . . . 25339 2 >> 12 3 120.233 . 83.8829839871 . . . . . . . . . . . 25339 2 >> 13 1 8.171 . 22.8304247988 . . . . . . . . . . . 25339 2 >> 13 2 6.671 . 206.4953446390 . . . . . . . . . . . 25339 2 >> 13 3 117.064 . 81.3184157624 . . . . . . . . . . . 25339 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 8.357 . 1 1 1 177 ILE H . . . . . . 322 . 25339 2 >> 1 2 . 1 . . 8.736 . 1 1 1 176 LYS H . . . . . . 209 . 25339 2 >> 1 3 . 1 . . 123.143 . 1 1 1 177 ILE N . . . . . . 321 . 25339 2 >> 2 1 . 1 . . 8.192 . 1 1 1 167 THR H . . . . . . 342 . 25339 2 >> 2 2 . 1 . . 8.592 . 1 1 1 166 LEU H . . . . . . 17 . 25339 2 >> 2 3 . 1 . . 117.086 . 1 1 1 167 THR N . . . . . . 341 . 25339 2 >> 3 1 . 1 . . 8.300 . 1 1 1 29 VAL H . . . . . . 296 . 25339 2 >> 3 2 . 1 . . 7.750 . 1 1 1 30 GLY H . . . . . . 95 . 25339 2 >> 3 3 . 1 . . 117.949 . 1 1 1 29 VAL N . . . . . . 295 . 25339 2 >> 4 1 . 1 . . 8.305 . 1 1 1 124 PHE H . . . . . . 298 . 25339 2 >> 4 2 . 1 . . 9.991 . 1 1 1 125 PHE H . . . . . . 19 . 25339 2 >> 4 3 . 1 . . 118.294 . 1 1 1 124 PHE N . . . . . . 297 . 25339 2 >> 5 1 . 1 . . 8.676 . 1 1 1 18 VAL H . . . . . . 265 . 25339 2 >> 5 2 . 1 . . 8.156 . 1 1 1 19 PHE H . . . . . . 311 . 25339 2 >> 5 3 . 1 . . 119.027 . 1 1 1 18 VAL N . . . . . . 266 . 25339 2 >> 6 1 . 1 . . 8.109 . 1 1 1 19 PHE H . . . . . . 311 . 25339 2 >> 6 2 . 1 . . 9.422 . 1 1 1 32 ILE H . . . . . . 292 . 25339 2 >> 6 3 . 1 . . 120.068 . 1 1 1 19 PHE N . . . . . . 312 . 25339 2 >> 7 1 . 1 . . 8.337 . 1 1 1 109 TRP H . . . . . . 320 . 25339 2 >> 7 2 . 2 . . 6.975 . 1 1 1 106 GLY H . . . . . . 285 . 25339 2 >> 7 3 . 1 . . 123.246 . 1 1 1 109 TRP N . . . . . . 319 . 25339 2 >> 8 1 . 1 . . 7.968 . 1 1 1 80 THR H . . . . . . 328 . 25339 2 >> 8 2 . 1 . . 9.084 . 1 1 1 81 THR H . . . . . . 55 . 25339 2 >> 8 3 . 1 . . 108.860 . 1 1 1 80 THR N . . . . . . 327 . 25339 2 >> 9 1 . 1 . . 8.628 . 1 1 1 90 ILE H . . . . . . 330 . 25339 2 >> 9 2 . 1 . . 7.925 . 1 1 1 91 TYR H . . . . . . 308 . 25339 2 >> 9 3 . 1 . . 112.117 . 1 1 1 90 ILE N . . . . . . 329 . 25339 2 >> 10 1 . 1 . . 8.626 . 1 1 1 149 THR H . . . . . . 344 . 25339 2 >> 10 2 . 1 . . 8.984 . 1 1 1 148 MET H . . . . . . 38 . 25339 2 >> 10 3 . 1 . . 111.945 . 1 1 1 149 THR N . . . . . . 343 . 25339 2 >> 11 1 . 1 . . 8.591 . 1 1 1 112 MET H . . . . . . 336 . 25339 2 >> 11 2 . 1 . . 8.326 . 1 1 1 113 ALA H . . . . . . 142 . 25339 2 >> 11 3 . 1 . . 124.072 . 1 1 1 112 MET N . . . . . . 335 . 25339 2 >> 12 1 . 1 . . 8.538 . 1 1 1 118 ASP H . . . . . . 338 . 25339 2 >> 12 2 . 2 . . 10.236 . 1 1 1 119 THR H . . . . . . 1 . 25339 2 >> 12 3 . 1 . . 120.233 . 1 1 1 118 ASP N . . . . . . 337 . 25339 2 >> 13 1 . 1 . . 8.171 . 1 1 1 174 SER H . . . . . . 340 . 25339 2 >> 13 2 . 1 . . 6.671 . 1 1 1 175 GLY H . . . . . . 207 . 25339 2 >> 13 3 . 1 . . 117.064 . 1 1 1 174 SER N . . . . . . 339 . 25339 2 >> >> stop_ >> >>save_ >> ; save_