data_15617 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Northeast Structural Genomics Consortium Target YG1 (Alg13), Chemical Shift Assignments ; _BMRB_accession_number 15617 _BMRB_flat_file_name bmr15617.str _Entry_type original _Submission_date 2008-01-04 _Accession_date 2008-01-04 _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 Wang Xu . . 2 Weldeghorghis Thomas . . 3 Zhang Gufeng . . 4 Imepriali Barbara . . 5 Montelione Gaetano T. . 6 Prestegard James H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 518 "13C chemical shifts" 668 "15N chemical shifts" 189 "residual dipolar couplings" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-31 update BMRB 'update _RDC.RDC_code, etc.' 2008-07-07 update BMRB 'complete entry citation' 2008-01-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Alg13: The Sugar Donor Subunit of a Yeast N-Acetylglucosamine Transferase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18547528 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xu . . 2 Weldeghorghis Thomas . . 3 Zhang Gufeng . . 4 Imepriali Barbara . . 5 Prestegard James H. . stop_ _Journal_abbreviation Structure _Journal_volume 16 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 965 _Page_last 975 _Year 2008 _Details . loop_ _Keyword glycosyltransferase 'solution nmr' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name alg13 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label alg13 $Alg13 stop_ _System_molecular_weight 25066.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Alg13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Alg13 _Molecular_mass 25066.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'glycosyltransferase sugar donor binding subunit' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 224 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MLEGIIEEKALFVTCGATVP FPKLVSCVLSDEFCQELIQY GFVRLIIQFGRNYSSEFEHL VQERGGQRESQKIPIDQFGC GDTARQYVLMNGKLKVIGFD FSTKMQSIIRDYSDLVISHA GTGSILDSLRLNKPLIVCVN DSLMDNHQQQIADKFVELGY VWSCAPTETGLIAGLRASQT EKLKPFPVSHNPSFERLLVE TIYS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 LEU 23 GLU 24 GLY 25 ILE 26 ILE 27 GLU 28 GLU 29 LYS 30 ALA 31 LEU 32 PHE 33 VAL 34 THR 35 CYS 36 GLY 37 ALA 38 THR 39 VAL 40 PRO 41 PHE 42 PRO 43 LYS 44 LEU 45 VAL 46 SER 47 CYS 48 VAL 49 LEU 50 SER 51 ASP 52 GLU 53 PHE 54 CYS 55 GLN 56 GLU 57 LEU 58 ILE 59 GLN 60 TYR 61 GLY 62 PHE 63 VAL 64 ARG 65 LEU 66 ILE 67 ILE 68 GLN 69 PHE 70 GLY 71 ARG 72 ASN 73 TYR 74 SER 75 SER 76 GLU 77 PHE 78 GLU 79 HIS 80 LEU 81 VAL 82 GLN 83 GLU 84 ARG 85 GLY 86 GLY 87 GLN 88 ARG 89 GLU 90 SER 91 GLN 92 LYS 93 ILE 94 PRO 95 ILE 96 ASP 97 GLN 98 PHE 99 GLY 100 CYS 101 GLY 102 ASP 103 THR 104 ALA 105 ARG 106 GLN 107 TYR 108 VAL 109 LEU 110 MET 111 ASN 112 GLY 113 LYS 114 LEU 115 LYS 116 VAL 117 ILE 118 GLY 119 PHE 120 ASP 121 PHE 122 SER 123 THR 124 LYS 125 MET 126 GLN 127 SER 128 ILE 129 ILE 130 ARG 131 ASP 132 TYR 133 SER 134 ASP 135 LEU 136 VAL 137 ILE 138 SER 139 HIS 140 ALA 141 GLY 142 THR 143 GLY 144 SER 145 ILE 146 LEU 147 ASP 148 SER 149 LEU 150 ARG 151 LEU 152 ASN 153 LYS 154 PRO 155 LEU 156 ILE 157 VAL 158 CYS 159 VAL 160 ASN 161 ASP 162 SER 163 LEU 164 MET 165 ASP 166 ASN 167 HIS 168 GLN 169 GLN 170 GLN 171 ILE 172 ALA 173 ASP 174 LYS 175 PHE 176 VAL 177 GLU 178 LEU 179 GLY 180 TYR 181 VAL 182 TRP 183 SER 184 CYS 185 ALA 186 PRO 187 THR 188 GLU 189 THR 190 GLY 191 LEU 192 ILE 193 ALA 194 GLY 195 LEU 196 ARG 197 ALA 198 SER 199 GLN 200 THR 201 GLU 202 LYS 203 LEU 204 LYS 205 PRO 206 PHE 207 PRO 208 VAL 209 SER 210 HIS 211 ASN 212 PRO 213 SER 214 PHE 215 GLU 216 ARG 217 LEU 218 LEU 219 VAL 220 GLU 221 THR 222 ILE 223 TYR 224 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 2JZC "Nmr Solution Structure Of Alg13: The Sugar Donor Subunit Of A Yeast N-Acetylglucosamine Transferase. Northeast Structural Genom" 100.00 224 100.00 100.00 6.41e-164 PDB 2KS6 "Nmr Solution Structure Of Alg13 --- Obtained With Iterative Cs-Rosetta From Backbone Nmr Data" 89.73 201 100.00 100.00 3.98e-145 DBJ GAA23342 "K7_Alg13p [Saccharomyces cerevisiae Kyokai no. 7]" 89.73 202 99.50 99.50 8.30e-145 EMBL CAA96749 "unnamed protein product [Saccharomyces cerevisiae]" 89.73 202 100.00 100.00 1.66e-145 EMBL CAY79713 "Alg13p [Saccharomyces cerevisiae EC1118]" 89.73 202 99.50 99.50 8.30e-145 GB AHY79326 "Alg13p [Saccharomyces cerevisiae YJM993]" 89.73 202 99.00 99.00 6.63e-144 GB AJP38744 "Alg13p [Saccharomyces cerevisiae YJM1078]" 89.73 202 99.50 99.50 8.30e-145 GB AJR76064 "Alg13p [Saccharomyces cerevisiae YJM189]" 89.73 202 99.50 99.50 8.30e-145 GB AJR76565 "Alg13p [Saccharomyces cerevisiae YJM193]" 89.73 202 99.00 99.00 6.63e-144 GB AJR77063 "Alg13p [Saccharomyces cerevisiae YJM195]" 89.73 202 99.00 99.50 1.82e-144 REF NP_011468 "N-acetylglucosaminyldiphosphodolichol N-acetylglucosaminyltransferase catalytic subunit ALG13 [Saccharomyces cerevisiae S288c]" 89.73 202 100.00 100.00 1.66e-145 SP P53178 "RecName: Full=UDP-N-acetylglucosamine transferase subunit ALG13; AltName: Full=Asparagine-linked glycosylation protein 13" 89.73 202 100.00 100.00 1.66e-145 TPG DAA08054 "TPA: N-acetylglucosaminyldiphosphodolichol N-acetylglucosaminyltransferase catalytic subunit ALG13 [Saccharomyces cerevisiae S2" 89.73 202 100.00 100.00 1.66e-145 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $Alg13 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' YGL047W 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 $Alg13 'recombinant technology' . Escherichia coli BL21 BL21(DE3) pET-15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_triple_label _Saveframe_category sample _Sample_type solution _Details 'Uniform 13C,15N,2H labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Alg13 0.35 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_methyl_label _Saveframe_category sample _Sample_type solution _Details '13C-labeled Leu, Val and Ile.cd1 methyl group' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Alg13 0.35 mM '[U-15N; U-2H; 13C,1H Leu, Val, Ile.D1 methyl]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_methyl_phe_label _Saveframe_category sample _Sample_type solution _Details '13C,1H-labeled Leu, Val and Ile.cd1 methyl group and 1H-labeld Phe, the rest are 15N and 2H labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Alg13 0.35 mM '[U-15N; U-2H; 13C,1H Leu, Val, Ile.D1 methyl; 1H-Phe]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_gel_aligned _Saveframe_category sample _Sample_type solution _Details 'Uniform 13C,15N,2H labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Alg13 0.35 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' acrylamide 3.5 w/v 'natural abundance' '(3-acrylamidopropyl)-trimethylammonium chloride' 3.5 w/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _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 $triple_label save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $triple_label save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $triple_label save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $triple_label save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $triple_label save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $triple_label save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $triple_label save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $methyl_label save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $methyl_label save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $methyl_phe_label save_ save_2D_S3-TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D S3-TROSY' _Sample_label $gel_aligned save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.7 . pH pressure 1 . atm temperature 297 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HN(COCA)CB' '3D HNCACO' '3D HNCO' stop_ loop_ _Sample_label $triple_label stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name alg13 _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 3 3 SER HB2 H 3.853 0.05 2 2 3 3 SER C C 174.600 0.5 1 3 4 4 SER H H 8.467 0.05 1 4 4 4 SER C C 174.700 0.5 1 5 4 4 SER CA C 59.300 0.5 1 6 4 4 SER CB C 63.600 0.5 1 7 4 4 SER N N 118.038 0.5 1 8 5 5 HIS H H 8.648 0.05 1 9 5 5 HIS C C 175.200 0.5 1 10 5 5 HIS CA C 55.400 0.5 1 11 5 5 HIS CB C 28.700 0.5 1 12 5 5 HIS N N 123.738 0.5 1 13 6 6 HIS C C 176.900 0.5 1 14 12 12 SER HA H 4.460 0.05 1 15 12 12 SER HB2 H 3.890 0.05 2 16 12 12 SER C C 174.900 0.5 1 17 12 12 SER CA C 58.700 0.5 1 18 12 12 SER CB C 64.300 0.5 1 19 13 13 GLY H H 8.358 0.05 1 20 13 13 GLY HA2 H 3.942 0.05 2 21 13 13 GLY C C 173.800 0.5 1 22 13 13 GLY CA C 45.300 0.5 1 23 13 13 GLY N N 110.338 0.5 1 24 14 14 LEU H H 8.038 0.05 1 25 14 14 LEU HB2 H 1.530 0.05 2 26 14 14 LEU HD1 H 0.800 0.05 2 27 14 14 LEU HD2 H 0.850 0.05 2 28 14 14 LEU C C 177.100 0.5 1 29 14 14 LEU CA C 55.300 0.5 1 30 14 14 LEU CB C 41.700 0.5 1 31 14 14 LEU CD1 C 23.400 0.5 1 32 14 14 LEU CD2 C 24.800 0.5 1 33 14 14 LEU CG C 27.200 0.5 1 34 14 14 LEU N N 121.438 0.5 1 35 15 15 VAL H H 8.078 0.05 1 36 15 15 VAL HA H 4.350 0.05 1 37 15 15 VAL HG1 H 0.860 0.05 2 38 15 15 VAL HG2 H 0.880 0.05 2 39 15 15 VAL CA C 59.800 0.5 1 40 15 15 VAL CB C 32.100 0.5 1 41 15 15 VAL CG1 C 21.000 0.5 1 42 15 15 VAL CG2 C 20.400 0.5 1 43 15 15 VAL N N 122.438 0.5 1 44 16 16 PRO HA H 4.356 0.05 1 45 16 16 PRO HB2 H 2.220 0.05 2 46 16 16 PRO HD2 H 3.625 0.05 2 47 16 16 PRO HD3 H 3.830 0.05 2 48 16 16 PRO HG2 H 1.900 0.05 2 49 16 16 PRO HG3 H 1.980 0.05 2 50 16 16 PRO C C 176.900 0.5 1 51 16 16 PRO CA C 63.000 0.5 1 52 16 16 PRO CB C 31.800 0.5 1 53 17 17 ARG H H 8.458 0.05 1 54 17 17 ARG HA H 4.260 0.05 1 55 17 17 ARG HB2 H 1.810 0.05 2 56 17 17 ARG HD2 H 3.160 0.05 2 57 17 17 ARG HG2 H 1.640 0.05 2 58 17 17 ARG C C 177.000 0.5 1 59 17 17 ARG CA C 56.400 0.5 1 60 17 17 ARG CB C 30.300 0.5 1 61 17 17 ARG N N 121.738 0.5 1 62 18 18 GLY H H 8.467 0.05 1 63 18 18 GLY HA2 H 3.970 0.05 2 64 18 18 GLY C C 174.100 0.5 1 65 18 18 GLY CA C 45.400 0.5 1 66 18 18 GLY N N 110.038 0.5 1 67 19 19 SER H H 8.198 0.05 1 68 19 19 SER CA C 58.800 0.5 1 69 19 19 SER CB C 64.100 0.5 1 70 19 19 SER N N 115.438 0.5 1 71 22 22 LEU C C 175.000 0.5 1 72 23 23 GLU H H 8.288 0.05 1 73 23 23 GLU HA H 4.420 0.05 1 74 23 23 GLU HB2 H 2.380 0.05 2 75 23 23 GLU HB3 H 2.470 0.05 2 76 23 23 GLU C C 176.400 0.5 1 77 23 23 GLU CA C 55.600 0.5 1 78 23 23 GLU CB C 32.200 0.5 1 79 23 23 GLU N N 120.938 0.5 1 80 24 24 GLY H H 8.347 0.05 1 81 24 24 GLY C C 173.700 0.5 1 82 24 24 GLY CA C 45.400 0.5 1 83 24 24 GLY N N 109.538 0.5 1 84 25 25 ILE H H 7.918 0.05 1 85 25 25 ILE HA H 4.170 0.05 1 86 25 25 ILE HB H 1.810 0.05 1 87 25 25 ILE HD1 H 0.800 0.05 1 88 25 25 ILE HG12 H 1.090 0.05 1 89 25 25 ILE HG13 H 1.410 0.05 1 90 25 25 ILE HG2 H 0.850 0.05 1 91 25 25 ILE C C 176.100 0.5 1 92 25 25 ILE CA C 61.100 0.5 1 93 25 25 ILE CB C 38.400 0.5 1 94 25 25 ILE CD1 C 12.800 0.5 1 95 25 25 ILE CG1 C 27.100 0.5 1 96 25 25 ILE CG2 C 17.500 0.5 1 97 25 25 ILE N N 119.938 0.5 1 98 26 26 ILE H H 8.227 0.05 1 99 26 26 ILE HA H 4.170 0.05 1 100 26 26 ILE HB H 1.810 0.05 1 101 26 26 ILE HD1 H 0.820 0.05 1 102 26 26 ILE HG12 H 1.130 0.05 1 103 26 26 ILE HG13 H 1.440 0.05 1 104 26 26 ILE HG2 H 0.850 0.05 1 105 26 26 ILE C C 175.800 0.5 1 106 26 26 ILE CA C 60.900 0.5 1 107 26 26 ILE CB C 38.300 0.5 1 108 26 26 ILE CD1 C 12.800 0.5 1 109 26 26 ILE CG1 C 27.100 0.5 1 110 26 26 ILE CG2 C 17.500 0.5 1 111 26 26 ILE N N 125.138 0.5 1 112 27 27 GLU H H 8.408 0.05 1 113 27 27 GLU HG2 H 2.210 0.05 2 114 27 27 GLU C C 175.600 0.5 1 115 27 27 GLU CA C 56.500 0.5 1 116 27 27 GLU CB C 30.200 0.5 1 117 27 27 GLU N N 125.438 0.5 1 118 28 28 GLU H H 8.358 0.05 1 119 28 28 GLU HG2 H 2.140 0.05 2 120 28 28 GLU HG3 H 2.290 0.05 2 121 28 28 GLU C C 175.900 0.5 1 122 28 28 GLU CA C 56.200 0.5 1 123 28 28 GLU CB C 30.000 0.5 1 124 28 28 GLU N N 121.638 0.5 1 125 29 29 LYS H H 7.938 0.05 1 126 29 29 LYS C C 175.600 0.5 1 127 29 29 LYS CA C 56.400 0.5 1 128 29 29 LYS CB C 33.700 0.5 1 129 29 29 LYS N N 122.238 0.5 1 130 30 30 ALA H H 9.767 0.05 1 131 30 30 ALA HB H 1.570 0.05 1 132 30 30 ALA C C 176.500 0.5 1 133 30 30 ALA CA C 50.690 0.5 1 134 30 30 ALA CB C 23.640 0.5 1 135 30 30 ALA N N 124.878 0.5 1 136 31 31 LEU H H 8.778 0.05 1 137 31 31 LEU HB2 H 1.590 0.05 2 138 31 31 LEU HD1 H 0.820 0.05 2 139 31 31 LEU HD2 H 0.690 0.05 2 140 31 31 LEU C C 173.300 0.5 1 141 31 31 LEU CA C 53.100 0.5 1 142 31 31 LEU CB C 44.200 0.5 1 143 31 31 LEU CD1 C 27.800 0.5 1 144 31 31 LEU CD2 C 24.000 0.5 1 145 31 31 LEU N N 125.838 0.5 1 146 32 32 PHE H H 8.917 0.05 1 147 32 32 PHE HA H 4.110 0.05 1 148 32 32 PHE HB2 H 3.120 0.05 2 149 32 32 PHE HB3 H 3.310 0.05 2 150 32 32 PHE HD1 H 7.160 0.05 3 151 32 32 PHE HE1 H 6.860 0.05 3 152 32 32 PHE C C 172.700 0.5 1 153 32 32 PHE CA C 53.300 0.5 1 154 32 32 PHE CB C 41.500 0.5 1 155 32 32 PHE N N 127.438 0.5 1 156 33 33 VAL H H 9.238 0.05 1 157 33 33 VAL HG1 H 0.510 0.05 2 158 33 33 VAL HG2 H 0.770 0.05 2 159 33 33 VAL C C 173.300 0.5 1 160 33 33 VAL CA C 60.100 0.5 1 161 33 33 VAL CB C 33.100 0.5 1 162 33 33 VAL CG1 C 20.500 0.5 1 163 33 33 VAL CG2 C 21.700 0.5 1 164 33 33 VAL N N 128.338 0.5 1 165 34 34 THR H H 8.738 0.05 1 166 34 34 THR C C 173.300 0.5 1 167 34 34 THR CA C 57.400 0.5 1 168 34 34 THR CB C 69.600 0.5 1 169 34 34 THR N N 118.738 0.5 1 170 35 35 CYS H H 7.898 0.05 1 171 35 35 CYS HG H 1.820 0.05 1 172 35 35 CYS C C 175.000 0.5 1 173 35 35 CYS CA C 60.600 0.5 1 174 35 35 CYS CB C 29.000 0.5 1 175 35 35 CYS N N 123.838 0.5 1 176 36 36 GLY H H 8.748 0.05 1 177 36 36 GLY CA C 44.400 0.5 1 178 36 36 GLY N N 108.438 0.5 1 179 37 37 ALA HB H 1.410 0.05 1 180 37 37 ALA C C 178.200 0.5 1 181 37 37 ALA CA C 53.500 0.5 1 182 37 37 ALA CB C 20.900 0.5 1 183 38 38 THR H H 8.377 0.05 1 184 38 38 THR HA H 4.360 0.05 1 185 38 38 THR HB H 4.120 0.05 1 186 38 38 THR HG2 H 1.210 0.05 1 187 38 38 THR C C 174.400 0.5 1 188 38 38 THR CA C 64.000 0.5 1 189 38 38 THR CB C 70.000 0.5 1 190 38 38 THR CG2 C 22.400 0.5 1 191 38 38 THR N N 112.238 0.5 1 192 39 39 VAL H H 8.408 0.05 1 193 39 39 VAL HG1 H 0.940 0.05 2 194 39 39 VAL HG2 H 0.870 0.05 2 195 39 39 VAL CA C 59.100 0.5 1 196 39 39 VAL CB C 33.500 0.5 1 197 39 39 VAL CG1 C 21.400 0.5 1 198 39 39 VAL CG2 C 20.200 0.5 1 199 39 39 VAL N N 121.138 0.5 1 200 40 40 PRO C C 175.100 0.5 1 201 40 40 PRO CA C 62.700 0.5 1 202 40 40 PRO CB C 31.900 0.5 1 203 41 41 PHE H H 8.980 0.05 1 204 41 41 PHE HB2 H 3.590 0.05 2 205 41 41 PHE HB3 H 3.090 0.05 2 206 41 41 PHE HD1 H 7.090 0.05 3 207 41 41 PHE HE1 H 7.350 0.05 3 208 41 41 PHE C C 175.100 0.5 1 209 41 41 PHE N N 121.100 0.5 1 210 42 42 PRO C C 179.000 0.5 1 211 42 42 PRO CA C 65.400 0.5 1 212 42 42 PRO CB C 31.600 0.5 1 213 43 43 LYS H H 8.648 0.05 1 214 43 43 LYS C C 178.200 0.5 1 215 43 43 LYS CA C 59.500 0.5 1 216 43 43 LYS CB C 32.700 0.5 1 217 43 43 LYS N N 115.938 0.5 1 218 44 44 LEU H H 6.177 0.05 1 219 44 44 LEU HA H 3.300 0.05 1 220 44 44 LEU HD1 H 0.360 0.05 2 221 44 44 LEU HD2 H 0.420 0.05 2 222 44 44 LEU C C 176.800 0.5 1 223 44 44 LEU CA C 57.800 0.5 1 224 44 44 LEU CB C 38.300 0.5 1 225 44 44 LEU CD1 C 25.800 0.5 1 226 44 44 LEU CD2 C 23.200 0.5 1 227 44 44 LEU N N 117.738 0.5 1 228 45 45 VAL H H 6.657 0.05 1 229 45 45 VAL HG1 H 0.680 0.05 2 230 45 45 VAL HG2 H 1.010 0.05 2 231 45 45 VAL C C 176.500 0.5 1 232 45 45 VAL CA C 66.500 0.5 1 233 45 45 VAL CB C 30.600 0.5 1 234 45 45 VAL CG1 C 23.300 0.5 1 235 45 45 VAL CG2 C 22.800 0.5 1 236 45 45 VAL N N 114.938 0.5 1 237 46 46 SER H H 8.108 0.05 1 238 46 46 SER C C 177.400 0.5 1 239 46 46 SER CA C 61.600 0.5 1 240 46 46 SER CB C 63.400 0.5 1 241 46 46 SER N N 110.200 0.5 1 242 47 47 CYS H H 7.568 0.05 1 243 47 47 CYS C C 178.000 0.5 1 244 47 47 CYS CA C 64.100 0.5 1 245 47 47 CYS CB C 28.400 0.5 1 246 47 47 CYS N N 116.738 0.5 1 247 48 48 VAL H H 7.628 0.05 1 248 48 48 VAL HG1 H 0.430 0.05 2 249 48 48 VAL HG2 H 0.700 0.05 2 250 48 48 VAL C C 173.500 0.5 1 251 48 48 VAL CA C 63.900 0.5 1 252 48 48 VAL CB C 30.100 0.5 1 253 48 48 VAL CG1 C 21.500 0.5 1 254 48 48 VAL CG2 C 20.600 0.5 1 255 48 48 VAL N N 116.338 0.5 1 256 49 49 LEU H H 6.718 0.05 1 257 49 49 LEU HD1 H 0.550 0.05 2 258 49 49 LEU HD2 H 0.490 0.05 2 259 49 49 LEU C C 176.600 0.5 1 260 49 49 LEU CA C 53.000 0.5 1 261 49 49 LEU CB C 40.900 0.5 1 262 49 49 LEU CD1 C 23.100 0.5 1 263 49 49 LEU CD2 C 26.900 0.5 1 264 49 49 LEU N N 113.038 0.5 1 265 50 50 SER H H 7.378 0.05 1 266 50 50 SER C C 174.400 0.5 1 267 50 50 SER CA C 58.800 0.5 1 268 50 50 SER CB C 65.100 0.5 1 269 50 50 SER N N 116.138 0.5 1 270 51 51 ASP H H 8.958 0.05 1 271 51 51 ASP HA H 4.240 0.05 1 272 51 51 ASP HB2 H 2.560 0.05 2 273 51 51 ASP HB3 H 2.590 0.05 2 274 51 51 ASP C C 178.400 0.5 1 275 51 51 ASP CA C 58.400 0.5 1 276 51 51 ASP CB C 41.100 0.5 1 277 51 51 ASP N N 123.538 0.5 1 278 52 52 GLU H H 9.347 0.05 1 279 52 52 GLU HA H 3.870 0.05 1 280 52 52 GLU HG2 H 2.370 0.05 2 281 52 52 GLU HG3 H 2.280 0.05 2 282 52 52 GLU C C 179.100 0.5 1 283 52 52 GLU CA C 60.200 0.5 1 284 52 52 GLU CB C 28.500 0.5 1 285 52 52 GLU CG C 36.800 0.5 1 286 52 52 GLU N N 116.138 0.5 1 287 53 53 PHE H H 7.948 0.05 1 288 53 53 PHE HB2 H 2.730 0.05 2 289 53 53 PHE HB3 H 3.210 0.05 2 290 53 53 PHE HD1 H 7.320 0.05 3 291 53 53 PHE HE1 H 6.900 0.05 3 292 53 53 PHE HZ H 6.640 0.05 1 293 53 53 PHE C C 177.200 0.5 1 294 53 53 PHE CA C 62.600 0.5 1 295 53 53 PHE CB C 39.300 0.5 1 296 53 53 PHE N N 120.238 0.5 1 297 54 54 CYS H H 8.448 0.05 1 298 54 54 CYS C C 176.900 0.5 1 299 54 54 CYS CA C 65.300 0.5 1 300 54 54 CYS CB C 27.400 0.5 1 301 54 54 CYS N N 115.938 0.5 1 302 55 55 GLN H H 8.517 0.05 1 303 55 55 GLN HG2 H 2.380 0.05 2 304 55 55 GLN C C 178.800 0.5 1 305 55 55 GLN CA C 59.100 0.5 1 306 55 55 GLN CB C 27.800 0.5 1 307 55 55 GLN N N 117.238 0.5 1 308 56 56 GLU H H 7.168 0.05 1 309 56 56 GLU HG2 H 2.250 0.05 2 310 56 56 GLU C C 178.300 0.5 1 311 56 56 GLU CA C 59.000 0.5 1 312 56 56 GLU CB C 28.100 0.5 1 313 56 56 GLU N N 120.338 0.5 1 314 57 57 LEU H H 8.017 0.05 1 315 57 57 LEU HB2 H 1.950 0.05 2 316 57 57 LEU HD1 H 0.670 0.05 2 317 57 57 LEU HD2 H 0.230 0.05 2 318 57 57 LEU C C 179.900 0.5 1 319 57 57 LEU CA C 58.300 0.5 1 320 57 57 LEU CB C 40.900 0.5 1 321 57 57 LEU CD1 C 26.800 0.5 1 322 57 57 LEU CD2 C 24.000 0.5 1 323 57 57 LEU N N 117.938 0.5 1 324 58 58 ILE H H 7.747 0.05 1 325 58 58 ILE HA H 4.040 0.05 1 326 58 58 ILE HB H 1.960 0.05 1 327 58 58 ILE HD1 H 0.800 0.05 1 328 58 58 ILE HG12 H 1.300 0.05 1 329 58 58 ILE HG13 H 1.600 0.05 1 330 58 58 ILE HG2 H 0.910 0.05 1 331 58 58 ILE C C 180.900 0.5 1 332 58 58 ILE CA C 64.000 0.5 1 333 58 58 ILE CB C 37.400 0.5 1 334 58 58 ILE CD1 C 14.300 0.5 1 335 58 58 ILE CG2 C 17.600 0.5 1 336 58 58 ILE N N 116.638 0.5 1 337 59 59 GLN H H 7.707 0.05 1 338 59 59 GLN HG2 H 2.220 0.05 1 339 59 59 GLN C C 177.500 0.5 1 340 59 59 GLN CA C 58.300 0.5 1 341 59 59 GLN CB C 27.600 0.5 1 342 59 59 GLN N N 121.638 0.5 1 343 60 60 TYR H H 7.617 0.05 1 344 60 60 TYR C C 175.000 0.5 1 345 60 60 TYR CA C 59.100 0.5 1 346 60 60 TYR CB C 37.900 0.5 1 347 60 60 TYR N N 115.538 0.5 1 348 61 61 GLY H H 7.867 0.05 1 349 61 61 GLY C C 174.200 0.5 1 350 61 61 GLY CA C 46.000 0.5 1 351 61 61 GLY N N 106.438 0.5 1 352 62 62 PHE H H 8.108 0.05 1 353 62 62 PHE HB2 H 2.490 0.05 2 354 62 62 PHE HB3 H 3.000 0.05 2 355 62 62 PHE HD1 H 7.180 0.05 3 356 62 62 PHE HE1 H 6.970 0.05 3 357 62 62 PHE C C 175.500 0.5 1 358 62 62 PHE CA C 58.800 0.5 1 359 62 62 PHE CB C 39.700 0.5 1 360 62 62 PHE N N 118.238 0.5 1 361 63 63 VAL H H 8.587 0.05 1 362 63 63 VAL HG1 H 1.000 0.05 2 363 63 63 VAL HG2 H 0.900 0.05 2 364 63 63 VAL C C 175.600 0.5 1 365 63 63 VAL CA C 60.800 0.5 1 366 63 63 VAL CB C 33.000 0.5 1 367 63 63 VAL CG1 C 21.500 0.5 1 368 63 63 VAL CG2 C 19.220 0.5 1 369 63 63 VAL N N 111.438 0.5 1 370 64 64 ARG H H 7.798 0.05 1 371 64 64 ARG C C 172.800 0.5 1 372 64 64 ARG CA C 55.100 0.5 1 373 64 64 ARG CB C 34.200 0.5 1 374 64 64 ARG N N 121.438 0.5 1 375 65 65 LEU H H 9.208 0.05 1 376 65 65 LEU HA H 5.550 0.05 1 377 65 65 LEU HD1 H 0.800 0.05 2 378 65 65 LEU HD2 H 0.850 0.05 2 379 65 65 LEU C C 173.500 0.5 1 380 65 65 LEU CA C 54.100 0.5 1 381 65 65 LEU CB C 44.800 0.5 1 382 65 65 LEU CD1 C 26.200 0.5 1 383 65 65 LEU CD2 C 24.700 0.5 1 384 65 65 LEU N N 127.438 0.5 1 385 66 66 ILE H H 9.488 0.05 1 386 66 66 ILE HD1 H 0.770 0.05 1 387 66 66 ILE HG12 H 1.930 0.05 1 388 66 66 ILE HG13 H 1.630 0.05 1 389 66 66 ILE HG2 H 0.770 0.05 1 390 66 66 ILE C C 174.400 0.5 1 391 66 66 ILE CA C 60.300 0.5 1 392 66 66 ILE CB C 39.800 0.5 1 393 66 66 ILE CD1 C 14.000 0.5 1 394 66 66 ILE CG2 C 19.300 0.5 1 395 66 66 ILE N N 127.338 0.5 1 396 67 67 ILE H H 9.358 0.05 1 397 67 67 ILE HD1 H 0.830 0.05 1 398 67 67 ILE HG12 H 1.550 0.05 1 399 67 67 ILE HG2 H 0.620 0.05 1 400 67 67 ILE CA C 59.700 0.5 1 401 67 67 ILE CB C 40.500 0.5 1 402 67 67 ILE CD1 C 14.400 0.5 1 403 67 67 ILE CG2 C 17.700 0.5 1 404 67 67 ILE N N 125.708 0.5 1 405 68 68 GLN H H 8.570 0.05 1 406 68 68 GLN N N 128.600 0.5 1 407 69 69 PHE HD1 H 6.950 0.05 3 408 69 69 PHE HE1 H 7.140 0.05 3 409 71 71 ARG H H 8.360 0.05 1 410 71 71 ARG CA C 56.800 0.5 1 411 71 71 ARG CB C 32.000 0.5 1 412 71 71 ARG N N 122.700 0.5 1 413 72 72 ASN H H 8.380 0.05 1 414 72 72 ASN HD21 H 6.940 0.05 2 415 72 72 ASN HD22 H 7.510 0.05 2 416 72 72 ASN CA C 58.800 0.5 1 417 72 72 ASN CB C 38.200 0.5 1 418 72 72 ASN N N 123.400 0.5 1 419 72 72 ASN ND2 N 111.000 0.5 1 420 77 77 PHE HB2 H 2.500 0.05 2 421 77 77 PHE HB3 H 2.180 0.05 2 422 77 77 PHE HD1 H 6.940 0.05 3 423 77 77 PHE HE1 H 7.130 0.05 3 424 80 80 LEU H H 7.690 0.05 1 425 80 80 LEU HD1 H 0.750 0.05 2 426 80 80 LEU HD2 H 0.790 0.05 2 427 80 80 LEU CA C 57.500 0.5 1 428 80 80 LEU CB C 41.300 0.5 1 429 80 80 LEU CD1 C 24.600 0.5 1 430 80 80 LEU CD2 C 25.200 0.5 1 431 80 80 LEU CG C 25.900 0.5 1 432 80 80 LEU N N 116.700 0.5 1 433 81 81 VAL H H 7.680 0.05 1 434 81 81 VAL HG1 H -0.200 0.05 2 435 81 81 VAL HG2 H -0.100 0.05 2 436 81 81 VAL CA C 66.500 0.5 1 437 81 81 VAL CB C 30.600 0.5 1 438 81 81 VAL CG1 C 22.300 0.5 1 439 81 81 VAL CG2 C 21.500 0.5 1 440 81 81 VAL N N 116.200 0.5 1 441 82 82 GLN H H 7.710 0.05 1 442 82 82 GLN C C 180.500 0.5 1 443 82 82 GLN N N 119.300 0.5 1 444 83 83 GLU H H 8.208 0.05 1 445 83 83 GLU HB2 H 2.120 0.05 2 446 83 83 GLU HG2 H 2.120 0.05 2 447 83 83 GLU C C 178.100 0.5 1 448 83 83 GLU CA C 59.100 0.5 1 449 83 83 GLU CB C 28.800 0.5 1 450 83 83 GLU N N 122.038 0.5 1 451 84 84 ARG H H 7.278 0.05 1 452 84 84 ARG C C 175.900 0.5 1 453 84 84 ARG CA C 54.600 0.5 1 454 84 84 ARG CB C 29.200 0.5 1 455 84 84 ARG N N 116.038 0.5 1 456 85 85 GLY H H 7.798 0.05 1 457 85 85 GLY C C 175.700 0.5 1 458 85 85 GLY CA C 45.600 0.5 1 459 85 85 GLY N N 106.938 0.5 1 460 86 86 GLY H H 8.337 0.05 1 461 86 86 GLY C C 172.800 0.5 1 462 86 86 GLY CA C 45.700 0.5 1 463 86 86 GLY N N 107.238 0.5 1 464 87 87 GLN H H 8.488 0.05 1 465 87 87 GLN HB2 H 2.430 0.05 2 466 87 87 GLN C C 175.500 0.5 1 467 87 87 GLN CA C 53.900 0.5 1 468 87 87 GLN CB C 31.400 0.5 1 469 87 87 GLN N N 120.338 0.5 1 470 88 88 ARG H H 9.068 0.05 1 471 88 88 ARG C C 176.200 0.5 1 472 88 88 ARG CA C 57.100 0.5 1 473 88 88 ARG CB C 29.900 0.5 1 474 88 88 ARG N N 125.138 0.5 1 475 89 89 GLU H H 8.238 0.05 1 476 89 89 GLU HB2 H 2.060 0.05 2 477 89 89 GLU C C 175.900 0.5 1 478 89 89 GLU CA C 55.800 0.5 1 479 89 89 GLU CB C 31.200 0.5 1 480 89 89 GLU N N 125.738 0.5 1 481 90 90 SER H H 8.597 0.05 1 482 90 90 SER HB2 H 4.768 0.05 2 483 90 90 SER CA C 59.100 0.5 1 484 90 90 SER CB C 63.500 0.5 1 485 90 90 SER N N 120.338 0.5 1 486 93 93 ILE HD1 H 0.730 0.05 1 487 93 93 ILE CA C 58.400 0.5 1 488 93 93 ILE CB C 38.200 0.5 1 489 93 93 ILE CD1 C 13.400 0.5 1 490 93 93 ILE CG1 C 26.100 0.5 1 491 94 94 PRO C C 176.800 0.5 1 492 94 94 PRO CA C 62.700 0.5 1 493 94 94 PRO CB C 30.300 0.5 1 494 95 95 ILE H H 8.148 0.05 1 495 95 95 ILE HA H 3.950 0.05 1 496 95 95 ILE HB H 1.910 0.05 1 497 95 95 ILE HD1 H 0.770 0.05 1 498 95 95 ILE HG12 H 1.110 0.05 1 499 95 95 ILE HG13 H 1.350 0.05 1 500 95 95 ILE HG2 H 0.760 0.05 1 501 95 95 ILE C C 177.500 0.5 1 502 95 95 ILE CA C 62.800 0.5 1 503 95 95 ILE CB C 38.400 0.5 1 504 95 95 ILE CD1 C 13.700 0.5 1 505 95 95 ILE CG1 C 26.800 0.5 1 506 95 95 ILE CG2 C 18.400 0.5 1 507 95 95 ILE N N 119.838 0.5 1 508 96 96 ASP H H 8.467 0.05 1 509 96 96 ASP HA H 4.360 0.05 1 510 96 96 ASP HB2 H 2.550 0.05 2 511 96 96 ASP HB3 H 2.580 0.05 2 512 96 96 ASP C C 178.100 0.5 1 513 96 96 ASP CA C 56.300 0.5 1 514 96 96 ASP CB C 40.000 0.5 1 515 96 96 ASP N N 121.138 0.5 1 516 97 97 GLN H H 8.127 0.05 1 517 97 97 GLN HA H 3.930 0.05 1 518 97 97 GLN C C 176.200 0.5 1 519 97 97 GLN CA C 57.800 0.5 1 520 97 97 GLN CB C 27.600 0.5 1 521 97 97 GLN N N 119.338 0.5 1 522 98 98 PHE H H 7.557 0.05 1 523 98 98 PHE HB2 H 2.640 0.05 2 524 98 98 PHE HD1 H 6.740 0.05 3 525 98 98 PHE HE1 H 6.800 0.05 3 526 98 98 PHE C C 176.700 0.5 1 527 98 98 PHE CA C 56.800 0.5 1 528 98 98 PHE CB C 39.400 0.5 1 529 98 98 PHE N N 112.738 0.5 1 530 99 99 GLY H H 7.907 0.05 1 531 99 99 GLY C C 173.300 0.5 1 532 99 99 GLY CA C 47.500 0.5 1 533 99 99 GLY N N 109.038 0.5 1 534 100 100 CYS H H 7.807 0.05 1 535 100 100 CYS C C 174.000 0.5 1 536 100 100 CYS CA C 55.300 0.5 1 537 100 100 CYS CB C 31.100 0.5 1 538 100 100 CYS N N 114.238 0.5 1 539 101 101 GLY H H 8.708 0.05 1 540 101 101 GLY C C 174.700 0.5 1 541 101 101 GLY N N 110.338 0.5 1 542 102 102 ASP H H 8.608 0.05 1 543 102 102 ASP HB2 H 2.790 0.05 2 544 102 102 ASP C C 177.100 0.5 1 545 102 102 ASP CA C 55.700 0.5 1 546 102 102 ASP CB C 40.600 0.5 1 547 102 102 ASP N N 120.038 0.5 1 548 103 103 THR H H 7.718 0.05 1 549 103 103 THR HG2 H 1.370 0.05 1 550 103 103 THR C C 175.000 0.5 1 551 103 103 THR CA C 62.100 0.5 1 552 103 103 THR CB C 69.700 0.5 1 553 103 103 THR CG2 C 22.100 0.5 1 554 103 103 THR N N 108.438 0.5 1 555 104 104 ALA H H 7.747 0.05 1 556 104 104 ALA HB H 1.430 0.05 1 557 104 104 ALA C C 177.400 0.5 1 558 104 104 ALA CA C 52.900 0.5 1 559 104 104 ALA CB C 20.200 0.5 1 560 104 104 ALA N N 124.738 0.5 1 561 105 105 ARG H H 8.818 0.05 1 562 105 105 ARG C C 174.000 0.5 1 563 105 105 ARG CA C 54.400 0.5 1 564 105 105 ARG CB C 34.200 0.5 1 565 105 105 ARG N N 120.838 0.5 1 566 106 106 GLN H H 8.477 0.05 1 567 106 106 GLN HB2 H 2.210 0.05 2 568 106 106 GLN C C 174.200 0.5 1 569 106 106 GLN CA C 54.500 0.5 1 570 106 106 GLN CB C 31.800 0.5 1 571 106 106 GLN N N 120.538 0.5 1 572 107 107 TYR H H 9.618 0.05 1 573 107 107 TYR HB2 H 2.430 0.05 2 574 107 107 TYR HD1 H 6.710 0.05 3 575 107 107 TYR C C 174.800 0.5 1 576 107 107 TYR CA C 56.460 0.5 1 577 107 107 TYR CB C 44.150 0.5 1 578 107 107 TYR N N 122.238 0.5 1 579 108 108 VAL H H 9.307 0.05 1 580 108 108 VAL HA H 3.620 0.05 1 581 108 108 VAL HB H 1.960 0.05 1 582 108 108 VAL HG1 H 0.990 0.05 2 583 108 108 VAL HG2 H 0.960 0.05 2 584 108 108 VAL C C 175.100 0.5 1 585 108 108 VAL CA C 61.000 0.5 1 586 108 108 VAL CB C 34.000 0.5 1 587 108 108 VAL CG1 C 21.700 0.5 1 588 108 108 VAL CG2 C 20.900 0.5 1 589 108 108 VAL N N 118.638 0.5 1 590 109 109 LEU H H 9.318 0.05 1 591 109 109 LEU HD1 H 0.780 0.05 2 592 109 109 LEU HD2 H 0.760 0.05 2 593 109 109 LEU C C 176.400 0.5 1 594 109 109 LEU CA C 53.800 0.5 1 595 109 109 LEU CB C 46.100 0.5 1 596 109 109 LEU CD1 C 24.900 0.5 1 597 109 109 LEU CD2 C 25.500 0.5 1 598 109 109 LEU N N 128.038 0.5 1 599 110 110 MET H H 9.057 0.05 1 600 110 110 MET HG2 H 2.350 0.05 2 601 110 110 MET C C 177.300 0.5 1 602 110 110 MET CA C 55.200 0.5 1 603 110 110 MET CB C 28.500 0.5 1 604 110 110 MET N N 115.538 0.5 1 605 111 111 ASN H H 8.927 0.05 1 606 111 111 ASN HA H 4.300 0.05 1 607 111 111 ASN HB2 H 2.680 0.05 2 608 111 111 ASN HB3 H 3.080 0.05 2 609 111 111 ASN C C 175.200 0.5 1 610 111 111 ASN CA C 54.200 0.5 1 611 111 111 ASN CB C 37.300 0.5 1 612 111 111 ASN N N 115.838 0.5 1 613 112 112 GLY H H 7.517 0.05 1 614 112 112 GLY HA2 H 3.450 0.05 2 615 112 112 GLY HA3 H 4.410 0.05 2 616 112 112 GLY C C 174.900 0.5 1 617 112 112 GLY CA C 45.100 0.5 1 618 112 112 GLY N N 102.738 0.5 1 619 113 113 LYS H H 7.438 0.05 1 620 113 113 LYS HA H 4.220 0.05 1 621 113 113 LYS C C 175.400 0.5 1 622 113 113 LYS CA C 57.840 0.5 1 623 113 113 LYS CB C 33.300 0.5 1 624 113 113 LYS N N 118.238 0.5 1 625 114 114 LEU H H 7.617 0.05 1 626 114 114 LEU HD1 H 0.750 0.05 2 627 114 114 LEU HD2 H 0.800 0.05 2 628 114 114 LEU C C 174.400 0.5 1 629 114 114 LEU CA C 53.300 0.5 1 630 114 114 LEU CB C 46.100 0.5 1 631 114 114 LEU CD1 C 23.400 0.5 1 632 114 114 LEU CD2 C 26.500 0.5 1 633 114 114 LEU N N 117.238 0.5 1 634 115 115 LYS H H 8.297 0.05 1 635 115 115 LYS C C 175.200 0.5 1 636 115 115 LYS CA C 55.300 0.5 1 637 115 115 LYS CB C 33.400 0.5 1 638 115 115 LYS N N 125.438 0.5 1 639 116 116 VAL H H 9.188 0.05 1 640 116 116 VAL HG1 H 1.020 0.05 2 641 116 116 VAL HG2 H 0.950 0.05 2 642 116 116 VAL C C 174.400 0.5 1 643 116 116 VAL CA C 60.100 0.5 1 644 116 116 VAL CB C 34.900 0.5 1 645 116 116 VAL CG1 C 21.200 0.5 1 646 116 116 VAL CG2 C 22.200 0.5 1 647 116 116 VAL N N 122.938 0.5 1 648 117 117 ILE H H 9.108 0.05 1 649 117 117 ILE HB H 1.660 0.05 1 650 117 117 ILE HD1 H 0.760 0.05 1 651 117 117 ILE HG12 H 1.040 0.05 1 652 117 117 ILE HG2 H 0.960 0.05 1 653 117 117 ILE C C 174.200 0.5 1 654 117 117 ILE CA C 59.900 0.5 1 655 117 117 ILE CB C 40.700 0.5 1 656 117 117 ILE CD1 C 14.500 0.5 1 657 117 117 ILE CG1 C 27.900 0.5 1 658 117 117 ILE N N 127.438 0.5 1 659 118 118 GLY H H 8.988 0.05 1 660 118 118 GLY CA C 44.000 0.5 1 661 118 118 GLY N N 112.038 0.5 1 662 120 120 ASP C C 172.000 0.5 1 663 121 121 PHE H H 8.230 0.05 1 664 121 121 PHE HB2 H 3.000 0.05 2 665 121 121 PHE HD1 H 6.560 0.05 3 666 121 121 PHE HE1 H 6.930 0.05 3 667 121 121 PHE C C 175.900 0.5 1 668 121 121 PHE N N 117.900 0.5 1 669 122 122 SER H H 9.410 0.05 1 670 122 122 SER C C 175.700 0.5 1 671 122 122 SER N N 119.900 0.5 1 672 123 123 THR H H 8.847 0.05 1 673 123 123 THR C C 174.900 0.5 1 674 123 123 THR CA C 62.700 0.5 1 675 123 123 THR CB C 68.700 0.5 1 676 123 123 THR N N 118.138 0.5 1 677 124 124 LYS H H 8.977 0.05 1 678 124 124 LYS C C 176.100 0.5 1 679 124 124 LYS CA C 54.300 0.5 1 680 124 124 LYS CB C 32.100 0.5 1 681 124 124 LYS N N 124.238 0.5 1 682 125 125 MET H H 7.977 0.05 1 683 125 125 MET HE H 1.990 0.05 1 684 125 125 MET HG2 H 2.680 0.05 2 685 125 125 MET HG3 H 2.840 0.05 2 686 125 125 MET C C 178.100 0.5 1 687 125 125 MET CA C 58.500 0.5 1 688 125 125 MET CB C 31.500 0.5 1 689 125 125 MET CE C 17.700 0.5 1 690 125 125 MET N N 118.738 0.5 1 691 126 126 GLN H H 8.470 0.05 1 692 126 126 GLN HB2 H 2.310 0.05 2 693 126 126 GLN C C 177.800 0.5 1 694 126 126 GLN CA C 60.000 0.5 1 695 126 126 GLN CB C 27.400 0.5 1 696 126 126 GLN N N 114.338 0.5 1 697 127 127 SER H H 7.497 0.05 1 698 127 127 SER C C 176.100 0.5 1 699 127 127 SER CA C 61.400 0.5 1 700 127 127 SER CB C 63.100 0.5 1 701 127 127 SER N N 113.438 0.5 1 702 128 128 ILE H H 7.787 0.05 1 703 128 128 ILE HA H 3.940 0.05 1 704 128 128 ILE HD1 H 0.720 0.05 1 705 128 128 ILE HG12 H 1.550 0.05 1 706 128 128 ILE HG13 H 1.670 0.05 1 707 128 128 ILE HG2 H -0.050 0.05 1 708 128 128 ILE C C 179.500 0.5 1 709 128 128 ILE CA C 65.400 0.5 1 710 128 128 ILE CB C 37.100 0.5 1 711 128 128 ILE CD1 C 14.300 0.5 1 712 128 128 ILE CG2 C 16.100 0.5 1 713 128 128 ILE N N 120.638 0.5 1 714 129 129 ILE H H 7.878 0.05 1 715 129 129 ILE HB H 1.890 0.05 1 716 129 129 ILE HD1 H 0.870 0.05 1 717 129 129 ILE HG12 H 1.640 0.05 1 718 129 129 ILE HG2 H 0.860 0.05 1 719 129 129 ILE C C 177.300 0.5 1 720 129 129 ILE CA C 65.300 0.5 1 721 129 129 ILE CB C 38.200 0.5 1 722 129 129 ILE CD1 C 13.400 0.5 1 723 129 129 ILE CG1 C 28.100 0.5 1 724 129 129 ILE CG2 C 19.800 0.5 1 725 129 129 ILE N N 119.138 0.5 1 726 130 130 ARG H H 8.278 0.05 1 727 130 130 ARG HA H 4.060 0.05 1 728 130 130 ARG C C 178.300 0.5 1 729 130 130 ARG CA C 60.300 0.5 1 730 130 130 ARG CB C 31.300 0.5 1 731 130 130 ARG N N 115.938 0.5 1 732 131 131 ASP H H 8.517 0.05 1 733 131 131 ASP C C 177.600 0.5 1 734 131 131 ASP CA C 56.100 0.5 1 735 131 131 ASP CB C 41.200 0.5 1 736 131 131 ASP N N 113.538 0.5 1 737 132 132 TYR H H 7.427 0.05 1 738 132 132 TYR C C 174.600 0.5 1 739 132 132 TYR CA C 57.840 0.5 1 740 132 132 TYR CB C 39.400 0.5 1 741 132 132 TYR N N 114.438 0.5 1 742 133 133 SER H H 6.847 0.05 1 743 133 133 SER HA H 4.160 0.05 1 744 133 133 SER HB2 H 3.730 0.05 2 745 133 133 SER C C 172.700 0.5 1 746 133 133 SER CA C 59.000 0.5 1 747 133 133 SER CB C 65.500 0.5 1 748 133 133 SER N N 110.238 0.5 1 749 134 134 ASP H H 9.387 0.05 1 750 134 134 ASP C C 175.200 0.5 1 751 134 134 ASP CA C 55.180 0.5 1 752 134 134 ASP CB C 43.400 0.5 1 753 134 134 ASP N N 120.438 0.5 1 754 135 135 LEU H H 8.068 0.05 1 755 135 135 LEU HD1 H 0.990 0.05 2 756 135 135 LEU HD2 H 0.570 0.05 2 757 135 135 LEU C C 172.800 0.5 1 758 135 135 LEU CA C 55.000 0.5 1 759 135 135 LEU CB C 45.100 0.5 1 760 135 135 LEU CD1 C 22.100 0.5 1 761 135 135 LEU CD2 C 27.100 0.5 1 762 135 135 LEU N N 121.538 0.5 1 763 136 136 VAL H H 8.477 0.05 1 764 136 136 VAL HG1 H 1.090 0.05 2 765 136 136 VAL HG2 H 0.820 0.05 2 766 136 136 VAL C C 174.900 0.5 1 767 136 136 VAL CA C 60.300 0.5 1 768 136 136 VAL CB C 34.600 0.5 1 769 136 136 VAL CG1 C 21.800 0.5 1 770 136 136 VAL CG2 C 20.900 0.5 1 771 136 136 VAL N N 127.038 0.5 1 772 137 137 ILE H H 9.040 0.05 1 773 137 137 ILE HA H 3.310 0.05 1 774 137 137 ILE HD1 H 0.660 0.05 1 775 137 137 ILE HG12 H 1.460 0.05 1 776 137 137 ILE HG13 H 1.580 0.05 1 777 137 137 ILE HG2 H 0.760 0.05 1 778 137 137 ILE C C 174.400 0.5 1 779 137 137 ILE CA C 60.300 0.5 1 780 137 137 ILE CB C 39.600 0.5 1 781 137 137 ILE CD1 C 14.000 0.5 1 782 137 137 ILE CG2 C 17.700 0.5 1 783 137 137 ILE N N 125.138 0.5 1 784 138 138 SER H H 8.858 0.05 1 785 138 138 SER HG H 6.090 0.05 1 786 138 138 SER C C 174.400 0.5 1 787 138 138 SER CA C 55.300 0.5 1 788 138 138 SER CB C 66.800 0.5 1 789 138 138 SER N N 117.838 0.5 1 790 139 139 HIS H H 7.557 0.05 1 791 139 139 HIS C C 174.700 0.5 1 792 139 139 HIS CA C 56.400 0.5 1 793 139 139 HIS CB C 31.600 0.5 1 794 139 139 HIS N N 121.438 0.5 1 795 140 140 ALA H H 8.488 0.05 1 796 140 140 ALA HA H 4.020 0.05 1 797 140 140 ALA HB H 1.160 0.05 1 798 140 140 ALA C C 174.100 0.5 1 799 140 140 ALA CA C 51.600 0.5 1 800 140 140 ALA CB C 17.700 0.5 1 801 140 140 ALA N N 124.638 0.5 1 802 141 141 GLY H H 7.250 0.05 1 803 141 141 GLY CA C 45.300 0.5 1 804 141 141 GLY N N 108.338 0.5 1 805 142 142 THR C C 175.400 0.5 1 806 143 143 GLY H H 8.587 0.05 1 807 143 143 GLY HA2 H 3.870 0.05 2 808 143 143 GLY C C 175.500 0.5 1 809 143 143 GLY CA C 47.400 0.5 1 810 143 143 GLY N N 108.138 0.5 1 811 144 144 SER H H 7.557 0.05 1 812 144 144 SER C C 177.500 0.5 1 813 144 144 SER CA C 60.900 0.5 1 814 144 144 SER CB C 63.100 0.5 1 815 144 144 SER N N 115.938 0.5 1 816 145 145 ILE H H 7.767 0.05 1 817 145 145 ILE HA H 3.590 0.05 1 818 145 145 ILE HB H 1.570 0.05 1 819 145 145 ILE HD1 H 0.320 0.05 1 820 145 145 ILE HG12 H 1.390 0.05 1 821 145 145 ILE HG2 H -0.310 0.05 1 822 145 145 ILE C C 177.300 0.5 1 823 145 145 ILE CA C 65.300 0.5 1 824 145 145 ILE CB C 37.200 0.5 1 825 145 145 ILE CD1 C 14.400 0.5 1 826 145 145 ILE CG1 C 27.300 0.5 1 827 145 145 ILE CG2 C 15.800 0.5 1 828 145 145 ILE N N 121.038 0.5 1 829 146 146 LEU H H 8.078 0.05 1 830 146 146 LEU HB2 H 1.370 0.05 2 831 146 146 LEU HD1 H 0.760 0.05 2 832 146 146 LEU HD2 H 0.860 0.05 2 833 146 146 LEU C C 178.700 0.5 1 834 146 146 LEU CA C 57.700 0.5 1 835 146 146 LEU CB C 40.700 0.5 1 836 146 146 LEU CD1 C 23.300 0.5 1 837 146 146 LEU CD2 C 25.600 0.5 1 838 146 146 LEU CG C 26.600 0.5 1 839 146 146 LEU N N 117.538 0.5 1 840 147 147 ASP H H 8.097 0.05 1 841 147 147 ASP HB2 H 2.790 0.05 2 842 147 147 ASP C C 178.900 0.5 1 843 147 147 ASP CA C 57.700 0.5 1 844 147 147 ASP CB C 40.500 0.5 1 845 147 147 ASP N N 117.938 0.5 1 846 148 148 SER H H 7.157 0.05 1 847 148 148 SER HB2 H 4.360 0.05 2 848 148 148 SER C C 176.500 0.5 1 849 148 148 SER CA C 63.500 0.5 1 850 148 148 SER CB C 64.300 0.5 1 851 148 148 SER N N 112.838 0.5 1 852 149 149 LEU H H 8.137 0.05 1 853 149 149 LEU HA H 4.330 0.05 1 854 149 149 LEU HD1 H 0.700 0.05 2 855 149 149 LEU HD2 H 0.100 0.05 2 856 149 149 LEU C C 181.300 0.5 1 857 149 149 LEU CA C 57.600 0.5 1 858 149 149 LEU CB C 39.500 0.5 1 859 149 149 LEU CD1 C 22.300 0.5 1 860 149 149 LEU CD2 C 26.700 0.5 1 861 149 149 LEU N N 120.938 0.5 1 862 150 150 ARG H H 8.507 0.05 1 863 150 150 ARG C C 177.500 0.5 1 864 150 150 ARG CA C 59.000 0.5 1 865 150 150 ARG CB C 29.400 0.5 1 866 150 150 ARG N N 118.038 0.5 1 867 151 151 LEU H H 6.887 0.05 1 868 151 151 LEU HD1 H 0.870 0.05 2 869 151 151 LEU HD2 H 0.890 0.05 2 870 151 151 LEU HG H 1.730 0.05 1 871 151 151 LEU C C 175.700 0.5 1 872 151 151 LEU CA C 54.100 0.5 1 873 151 151 LEU CB C 41.700 0.5 1 874 151 151 LEU CD1 C 22.700 0.5 1 875 151 151 LEU CD2 C 27.000 0.5 1 876 151 151 LEU N N 117.338 0.5 1 877 152 152 ASN H H 8.190 0.05 1 878 152 152 ASN HB2 H 2.740 0.05 2 879 152 152 ASN HD21 H 6.890 0.05 2 880 152 152 ASN HD22 H 7.570 0.05 2 881 152 152 ASN C C 174.400 0.5 1 882 152 152 ASN CA C 54.100 0.5 1 883 152 152 ASN CB C 37.400 0.5 1 884 152 152 ASN N N 115.338 0.5 1 885 152 152 ASN ND2 N 115.400 0.5 1 886 153 153 LYS H H 7.477 0.05 1 887 153 153 LYS CA C 51.300 0.5 1 888 153 153 LYS CB C 31.100 0.5 1 889 153 153 LYS N N 116.638 0.5 1 890 154 154 PRO C C 176.400 0.5 1 891 154 154 PRO CB C 31.300 0.5 1 892 155 155 LEU H H 9.108 0.05 1 893 155 155 LEU HD1 H 0.710 0.05 2 894 155 155 LEU HD2 H 0.770 0.05 2 895 155 155 LEU C C 174.200 0.5 1 896 155 155 LEU CA C 54.300 0.5 1 897 155 155 LEU CD1 C 29.200 0.5 1 898 155 155 LEU CD2 C 24.700 0.5 1 899 155 155 LEU N N 116.938 0.5 1 900 156 156 ILE H H 8.950 0.05 1 901 156 156 ILE HB H 1.810 0.05 1 902 156 156 ILE HD1 H 0.610 0.05 1 903 156 156 ILE HG2 H 0.710 0.05 1 904 156 156 ILE C C 174.800 0.5 1 905 156 156 ILE CA C 59.300 0.5 1 906 156 156 ILE CB C 40.100 0.5 1 907 156 156 ILE CD1 C 13.300 0.5 1 908 156 156 ILE CG2 C 18.000 0.5 1 909 156 156 ILE N N 125.600 0.5 1 910 157 157 VAL H H 9.318 0.05 1 911 157 157 VAL HG1 H 0.750 0.05 2 912 157 157 VAL HG2 H 0.690 0.05 2 913 157 157 VAL C C 174.400 0.5 1 914 157 157 VAL CA C 60.200 0.5 1 915 157 157 VAL CB C 33.100 0.5 1 916 157 157 VAL CG1 C 21.900 0.5 1 917 157 157 VAL CG2 C 22.100 0.5 1 918 157 157 VAL N N 124.838 0.5 1 919 158 158 CYS H H 8.847 0.05 1 920 158 158 CYS HB2 H 2.160 0.05 2 921 158 158 CYS HB3 H 2.490 0.05 2 922 158 158 CYS C C 173.800 0.5 1 923 158 158 CYS CA C 56.800 0.5 1 924 158 158 CYS CB C 29.300 0.5 1 925 158 158 CYS N N 127.238 0.5 1 926 159 159 VAL H H 8.408 0.05 1 927 159 159 VAL HB H 1.740 0.05 1 928 159 159 VAL HG1 H 0.790 0.05 2 929 159 159 VAL HG2 H 0.740 0.05 2 930 159 159 VAL C C 174.900 0.5 1 931 159 159 VAL CA C 63.700 0.5 1 932 159 159 VAL CB C 32.200 0.5 1 933 159 159 VAL CG1 C 22.100 0.5 1 934 159 159 VAL CG2 C 21.300 0.5 1 935 159 159 VAL N N 127.338 0.5 1 936 160 160 ASN H H 8.208 0.05 1 937 160 160 ASN C C 175.100 0.5 1 938 160 160 ASN CA C 52.600 0.5 1 939 160 160 ASN CB C 36.900 0.5 1 940 160 160 ASN N N 124.138 0.5 1 941 161 161 ASP H H 8.148 0.05 1 942 161 161 ASP HB2 H 2.640 0.05 2 943 161 161 ASP HB3 H 2.940 0.05 2 944 161 161 ASP C C 176.900 0.5 1 945 161 161 ASP CA C 54.500 0.5 1 946 161 161 ASP CB C 40.000 0.5 1 947 161 161 ASP N N 125.338 0.5 1 948 162 162 SER H H 7.977 0.05 1 949 162 162 SER HB2 H 3.920 0.05 2 950 162 162 SER C C 174.400 0.5 1 951 162 162 SER CA C 59.500 0.5 1 952 162 162 SER CB C 63.500 0.5 1 953 162 162 SER N N 114.638 0.5 1 954 163 163 LEU H H 7.287 0.05 1 955 163 163 LEU HA H 3.890 0.05 1 956 163 163 LEU HB2 H 1.640 0.05 2 957 163 163 LEU HD1 H 0.850 0.05 2 958 163 163 LEU HD2 H 0.940 0.05 2 959 163 163 LEU HG H 1.410 0.05 1 960 163 163 LEU C C 177.100 0.5 1 961 163 163 LEU CA C 54.700 0.5 1 962 163 163 LEU CB C 41.500 0.5 1 963 163 163 LEU CD1 C 23.100 0.5 1 964 163 163 LEU CD2 C 25.200 0.5 1 965 163 163 LEU CG C 27.100 0.5 1 966 163 163 LEU N N 120.938 0.5 1 967 164 164 MET H H 8.347 0.05 1 968 164 164 MET HG2 H 2.480 0.05 2 969 164 164 MET HG3 H 2.600 0.05 2 970 164 164 MET C C 175.600 0.5 1 971 164 164 MET CA C 55.800 0.5 1 972 164 164 MET CB C 31.200 0.5 1 973 164 164 MET N N 119.138 0.5 1 974 165 165 ASP H H 7.938 0.05 1 975 165 165 ASP C C 175.800 0.5 1 976 165 165 ASP CA C 53.800 0.5 1 977 165 165 ASP CB C 41.800 0.5 1 978 165 165 ASP N N 118.438 0.5 1 979 166 166 ASN H H 8.448 0.05 1 980 166 166 ASN C C 176.500 0.5 1 981 166 166 ASN CA C 53.800 0.5 1 982 166 166 ASN CB C 38.700 0.5 1 983 166 166 ASN N N 119.238 0.5 1 984 167 167 HIS H H 8.597 0.05 1 985 167 167 HIS C C 176.700 0.5 1 986 167 167 HIS CA C 59.000 0.5 1 987 167 167 HIS N N 118.938 0.5 1 988 168 168 GLN H H 8.427 0.05 1 989 168 168 GLN C C 177.900 0.5 1 990 168 168 GLN CA C 59.900 0.5 1 991 168 168 GLN CB C 28.100 0.5 1 992 168 168 GLN N N 117.638 0.5 1 993 169 169 GLN H H 8.150 0.05 1 994 169 169 GLN HG2 H 2.380 0.05 2 995 169 169 GLN C C 177.200 0.5 1 996 169 169 GLN CA C 58.200 0.5 1 997 169 169 GLN CB C 28.100 0.5 1 998 169 169 GLN N N 118.700 0.5 1 999 170 170 GLN H H 7.787 0.05 1 1000 170 170 GLN HA H 4.090 0.05 1 1001 170 170 GLN C C 179.300 0.5 1 1002 170 170 GLN CA C 58.900 0.5 1 1003 170 170 GLN CB C 28.200 0.5 1 1004 170 170 GLN N N 116.838 0.5 1 1005 171 171 ILE H H 7.787 0.05 1 1006 171 171 ILE HA H 3.640 0.05 1 1007 171 171 ILE HB H 1.940 0.05 1 1008 171 171 ILE HG12 H 1.050 0.05 1 1009 171 171 ILE HG13 H 1.580 0.05 1 1010 171 171 ILE HG2 H 0.800 0.05 1 1011 171 171 ILE C C 177.500 0.5 1 1012 171 171 ILE CA C 64.100 0.5 1 1013 171 171 ILE CB C 37.100 0.5 1 1014 171 171 ILE N N 120.038 0.5 1 1015 172 172 ALA H H 8.057 0.05 1 1016 172 172 ALA HB H 1.290 0.05 1 1017 172 172 ALA C C 178.800 0.5 1 1018 172 172 ALA CA C 56.400 0.5 1 1019 172 172 ALA CB C 18.200 0.5 1 1020 172 172 ALA N N 121.738 0.5 1 1021 173 173 ASP H H 8.688 0.05 1 1022 173 173 ASP C C 179.300 0.5 1 1023 173 173 ASP CA C 57.100 0.5 1 1024 173 173 ASP CB C 39.800 0.5 1 1025 173 173 ASP N N 115.038 0.5 1 1026 174 174 LYS H H 7.818 0.05 1 1027 174 174 LYS C C 178.400 0.5 1 1028 174 174 LYS CA C 57.700 0.5 1 1029 174 174 LYS CB C 30.700 0.5 1 1030 174 174 LYS N N 120.638 0.5 1 1031 175 175 PHE H H 7.938 0.05 1 1032 175 175 PHE HB2 H 2.970 0.05 2 1033 175 175 PHE HB3 H 3.070 0.05 2 1034 175 175 PHE HD1 H 7.350 0.05 3 1035 175 175 PHE HE1 H 6.980 0.05 3 1036 175 175 PHE C C 178.400 0.5 1 1037 175 175 PHE CA C 63.200 0.5 1 1038 175 175 PHE CB C 39.400 0.5 1 1039 175 175 PHE N N 116.038 0.5 1 1040 176 176 VAL H H 8.420 0.05 1 1041 176 176 VAL HG1 H 1.000 0.05 2 1042 176 176 VAL HG2 H 0.990 0.05 2 1043 176 176 VAL C C 180.500 0.5 1 1044 176 176 VAL CA C 66.100 0.5 1 1045 176 176 VAL CB C 31.900 0.5 1 1046 176 176 VAL CG1 C 21.600 0.5 1 1047 176 176 VAL CG2 C 23.900 0.5 1 1048 176 176 VAL N N 121.838 0.5 1 1049 177 177 GLU H H 8.517 0.05 1 1050 177 177 GLU HA H 3.930 0.05 1 1051 177 177 GLU C C 179.000 0.5 1 1052 177 177 GLU CA C 59.200 0.5 1 1053 177 177 GLU CB C 29.000 0.5 1 1054 177 177 GLU N N 124.138 0.5 1 1055 178 178 LEU H H 7.767 0.05 1 1056 178 178 LEU HD1 H 0.820 0.05 2 1057 178 178 LEU HD2 H 0.720 0.05 2 1058 178 178 LEU C C 176.700 0.5 1 1059 178 178 LEU CA C 55.400 0.5 1 1060 178 178 LEU CB C 42.600 0.5 1 1061 178 178 LEU CD1 C 22.400 0.5 1 1062 178 178 LEU CD2 C 25.500 0.5 1 1063 178 178 LEU CG C 26.900 0.5 1 1064 178 178 LEU N N 116.138 0.5 1 1065 179 179 GLY H H 7.588 0.05 1 1066 179 179 GLY C C 174.500 0.5 1 1067 179 179 GLY CA C 45.500 0.5 1 1068 179 179 GLY N N 104.038 0.5 1 1069 180 180 TYR H H 7.537 0.05 1 1070 180 180 TYR HA H 4.090 0.05 1 1071 180 180 TYR C C 175.600 0.5 1 1072 180 180 TYR CA C 58.000 0.5 1 1073 180 180 TYR CB C 41.900 0.5 1 1074 180 180 TYR N N 113.038 0.5 1 1075 181 181 VAL H H 6.818 0.05 1 1076 181 181 VAL HA H 3.490 0.05 1 1077 181 181 VAL HG1 H 0.450 0.05 2 1078 181 181 VAL HG2 H 0.760 0.05 2 1079 181 181 VAL C C 174.200 0.5 1 1080 181 181 VAL CA C 57.900 0.5 1 1081 181 181 VAL CB C 35.100 0.5 1 1082 181 181 VAL CG1 C 20.200 0.5 1 1083 181 181 VAL CG2 C 23.700 0.5 1 1084 181 181 VAL N N 105.738 0.5 1 1085 182 182 TRP H H 7.787 0.05 1 1086 182 182 TRP HE1 H 10.140 0.05 1 1087 182 182 TRP C C 175.400 0.5 1 1088 182 182 TRP CA C 58.900 0.5 1 1089 182 182 TRP N N 117.938 0.5 1 1090 182 182 TRP NE1 N 130.100 0.5 1 1091 183 183 SER H H 8.938 0.05 1 1092 183 183 SER HB2 H 3.560 0.05 2 1093 183 183 SER HB3 H 3.670 0.05 2 1094 183 183 SER C C 173.400 0.5 1 1095 183 183 SER CA C 56.500 0.5 1 1096 183 183 SER CB C 66.500 0.5 1 1097 183 183 SER N N 115.138 0.5 1 1098 184 184 CYS H H 8.608 0.05 1 1099 184 184 CYS HA H 3.580 0.05 1 1100 184 184 CYS HB2 H 2.700 0.05 2 1101 184 184 CYS HG H 1.710 0.05 1 1102 184 184 CYS C C 172.100 0.5 1 1103 184 184 CYS CA C 55.900 0.5 1 1104 184 184 CYS CB C 33.200 0.5 1 1105 184 184 CYS N N 118.038 0.5 1 1106 185 185 ALA H H 8.408 0.05 1 1107 185 185 ALA HB H 1.350 0.05 1 1108 185 185 ALA CA C 49.900 0.5 1 1109 185 185 ALA CB C 18.700 0.5 1 1110 185 185 ALA N N 124.038 0.5 1 1111 186 186 PRO C C 173.500 0.5 1 1112 186 186 PRO CA C 61.500 0.5 1 1113 186 186 PRO CB C 26.700 0.5 1 1114 187 187 THR H H 8.417 0.05 1 1115 187 187 THR HG2 H 1.050 0.05 1 1116 187 187 THR C C 174.400 0.5 1 1117 187 187 THR CA C 59.200 0.5 1 1118 187 187 THR CB C 71.900 0.5 1 1119 187 187 THR CG2 C 21.700 0.5 1 1120 187 187 THR N N 112.538 0.5 1 1121 188 188 GLU H H 9.708 0.05 1 1122 188 188 GLU C C 178.000 0.5 1 1123 188 188 GLU CA C 62.400 0.5 1 1124 188 188 GLU CB C 28.300 0.5 1 1125 188 188 GLU N N 123.238 0.5 1 1126 189 189 THR H H 8.118 0.05 1 1127 189 189 THR HB H 4.020 0.05 1 1128 189 189 THR HG2 H 1.250 0.05 1 1129 189 189 THR C C 177.500 0.5 1 1130 189 189 THR CA C 65.300 0.5 1 1131 189 189 THR CB C 68.500 0.5 1 1132 189 189 THR CG2 C 21.800 0.5 1 1133 189 189 THR N N 109.238 0.5 1 1134 190 190 GLY H H 8.538 0.05 1 1135 190 190 GLY C C 176.300 0.5 1 1136 190 190 GLY CA C 47.000 0.5 1 1137 190 190 GLY N N 113.538 0.5 1 1138 191 191 LEU H H 8.738 0.05 1 1139 191 191 LEU HB2 H 1.890 0.05 2 1140 191 191 LEU HD1 H 0.460 0.05 2 1141 191 191 LEU HD2 H 0.360 0.05 2 1142 191 191 LEU C C 179.800 0.5 1 1143 191 191 LEU CA C 57.800 0.5 1 1144 191 191 LEU CB C 40.500 0.5 1 1145 191 191 LEU CD1 C 24.100 0.5 1 1146 191 191 LEU CD2 C 26.000 0.5 1 1147 191 191 LEU N N 124.138 0.5 1 1148 192 192 ILE H H 8.318 0.05 1 1149 192 192 ILE HB H 2.220 0.05 1 1150 192 192 ILE HD1 H 0.750 0.05 1 1151 192 192 ILE HG12 H 1.880 0.05 1 1152 192 192 ILE C C 177.400 0.5 1 1153 192 192 ILE CA C 66.500 0.5 1 1154 192 192 ILE CB C 37.400 0.5 1 1155 192 192 ILE CD1 C 13.700 0.5 1 1156 192 192 ILE N N 119.738 0.5 1 1157 193 193 ALA H H 7.827 0.05 1 1158 193 193 ALA HA H 4.030 0.05 1 1159 193 193 ALA HB H 1.540 0.05 1 1160 193 193 ALA C C 181.600 0.5 1 1161 193 193 ALA CA C 55.500 0.5 1 1162 193 193 ALA CB C 17.400 0.5 1 1163 193 193 ALA N N 121.638 0.5 1 1164 194 194 GLY H H 8.427 0.05 1 1165 194 194 GLY C C 174.200 0.5 1 1166 194 194 GLY CA C 46.800 0.5 1 1167 194 194 GLY N N 107.938 0.5 1 1168 195 195 LEU H H 8.727 0.05 1 1169 195 195 LEU HA H 3.630 0.05 1 1170 195 195 LEU HD1 H 0.320 0.05 2 1171 195 195 LEU HD2 H 0.270 0.05 2 1172 195 195 LEU C C 179.900 0.5 1 1173 195 195 LEU CA C 57.800 0.5 1 1174 195 195 LEU CB C 41.500 0.5 1 1175 195 195 LEU CD1 C 26.600 0.5 1 1176 195 195 LEU CD2 C 23.000 0.5 1 1177 195 195 LEU CG C 25.900 0.5 1 1178 195 195 LEU N N 123.438 0.5 1 1179 196 196 ARG H H 8.627 0.05 1 1180 196 196 ARG C C 179.800 0.5 1 1181 196 196 ARG CA C 60.200 0.5 1 1182 196 196 ARG CB C 29.600 0.5 1 1183 196 196 ARG N N 119.238 0.5 1 1184 197 197 ALA H H 7.807 0.05 1 1185 197 197 ALA HB H 0.920 0.05 1 1186 197 197 ALA C C 179.300 0.5 1 1187 197 197 ALA CA C 55.400 0.5 1 1188 197 197 ALA CB C 16.800 0.5 1 1189 197 197 ALA N N 123.338 0.5 1 1190 198 198 SER H H 7.577 0.05 1 1191 198 198 SER HG H 5.590 0.05 1 1192 198 198 SER C C 175.500 0.5 1 1193 198 198 SER CA C 60.100 0.5 1 1194 198 198 SER CB C 62.700 0.5 1 1195 198 198 SER N N 112.138 0.5 1 1196 199 199 GLN H H 6.927 0.05 1 1197 199 199 GLN C C 176.400 0.5 1 1198 199 199 GLN CA C 54.100 0.5 1 1199 199 199 GLN CB C 30.000 0.5 1 1200 199 199 GLN N N 116.638 0.5 1 1201 200 200 THR H H 7.577 0.05 1 1202 200 200 THR HB H 4.200 0.05 1 1203 200 200 THR HG2 H 1.220 0.05 1 1204 200 200 THR C C 173.900 0.5 1 1205 200 200 THR CA C 62.900 0.5 1 1206 200 200 THR CB C 71.400 0.5 1 1207 200 200 THR CG2 C 21.500 0.5 1 1208 200 200 THR N N 109.938 0.5 1 1209 201 201 GLU H H 8.278 0.05 1 1210 201 201 GLU HB2 H 2.440 0.05 2 1211 201 201 GLU C C 174.900 0.5 1 1212 201 201 GLU CA C 55.600 0.5 1 1213 201 201 GLU CB C 31.900 0.5 1 1214 201 201 GLU N N 122.638 0.5 1 1215 202 202 LYS H H 8.517 0.05 1 1216 202 202 LYS HB2 H 1.750 0.05 2 1217 202 202 LYS HG2 H 1.490 0.05 2 1218 202 202 LYS C C 176.300 0.5 1 1219 202 202 LYS CA C 55.300 0.5 1 1220 202 202 LYS CB C 33.700 0.5 1 1221 202 202 LYS N N 120.038 0.5 1 1222 203 203 LEU H H 8.517 0.05 1 1223 203 203 LEU HD1 H -0.100 0.05 2 1224 203 203 LEU HD2 H -0.460 0.05 2 1225 203 203 LEU HG H 1.230 0.05 1 1226 203 203 LEU C C 177.400 0.5 1 1227 203 203 LEU CA C 53.300 0.5 1 1228 203 203 LEU CB C 41.100 0.5 1 1229 203 203 LEU CD1 C 20.900 0.5 1 1230 203 203 LEU CD2 C 23.900 0.5 1 1231 203 203 LEU CG C 26.400 0.5 1 1232 203 203 LEU N N 124.738 0.5 1 1233 204 204 LYS H H 7.957 0.05 1 1234 204 204 LYS HA H 4.320 0.05 1 1235 204 204 LYS CA C 54.900 0.5 1 1236 204 204 LYS CB C 32.000 0.5 1 1237 204 204 LYS N N 122.038 0.5 1 1238 205 205 PRO C C 176.300 0.5 1 1239 205 205 PRO CA C 62.100 0.5 1 1240 205 205 PRO CB C 31.500 0.5 1 1241 206 206 PHE H H 9.010 0.05 1 1242 206 206 PHE HB2 H 2.740 0.05 2 1243 206 206 PHE HD1 H 6.390 0.05 3 1244 206 206 PHE HE1 H 6.910 0.05 3 1245 206 206 PHE C C 174.600 0.5 1 1246 206 206 PHE N N 126.600 0.5 1 1247 207 207 PRO CA C 63.000 0.5 1 1248 207 207 PRO CB C 30.900 0.5 1 1249 208 208 VAL H H 7.610 0.05 1 1250 208 208 VAL HA H 3.980 0.05 1 1251 208 208 VAL HB H 2.070 0.05 1 1252 208 208 VAL HG1 H 0.960 0.05 2 1253 208 208 VAL HG2 H 0.970 0.05 2 1254 208 208 VAL C C 176.500 0.5 1 1255 208 208 VAL CA C 62.800 0.5 1 1256 208 208 VAL CB C 32.000 0.5 1 1257 208 208 VAL CG1 C 21.300 0.5 1 1258 208 208 VAL CG2 C 20.600 0.5 1 1259 208 208 VAL N N 125.600 0.5 1 1260 209 209 SER H H 7.990 0.05 1 1261 209 209 SER C C 174.000 0.5 1 1262 209 209 SER CA C 57.400 0.5 1 1263 209 209 SER CB C 63.800 0.5 1 1264 209 209 SER N N 116.800 0.5 1 1265 211 211 ASN H H 9.000 0.05 1 1266 211 211 ASN HD21 H 7.570 0.05 2 1267 211 211 ASN HD22 H 6.890 0.05 2 1268 211 211 ASN N N 126.700 0.5 1 1269 211 211 ASN ND2 N 111.200 0.5 1 1270 212 212 PRO C C 177.800 0.5 1 1271 212 212 PRO CA C 64.500 0.5 1 1272 212 212 PRO CB C 31.800 0.5 1 1273 213 213 SER H H 8.238 0.05 1 1274 213 213 SER HB2 H 3.880 0.05 2 1275 213 213 SER C C 175.400 0.5 1 1276 213 213 SER CA C 60.200 0.5 1 1277 213 213 SER CB C 62.700 0.5 1 1278 213 213 SER N N 113.938 0.5 1 1279 214 214 PHE H H 7.898 0.05 1 1280 214 214 PHE HB2 H 3.110 0.05 2 1281 214 214 PHE HD1 H 7.100 0.05 3 1282 214 214 PHE HE1 H 6.960 0.05 3 1283 214 214 PHE C C 176.600 0.5 1 1284 214 214 PHE CA C 60.300 0.5 1 1285 214 214 PHE CB C 39.100 0.5 1 1286 214 214 PHE N N 122.538 0.5 1 1287 215 215 GLU H H 8.177 0.05 1 1288 215 215 GLU HA H 3.970 0.05 1 1289 215 215 GLU C C 177.900 0.5 1 1290 215 215 GLU CA C 59.200 0.5 1 1291 215 215 GLU CB C 29.300 0.5 1 1292 215 215 GLU N N 118.438 0.5 1 1293 216 216 ARG H H 7.858 0.05 1 1294 216 216 ARG C C 177.700 0.5 1 1295 216 216 ARG CA C 58.400 0.5 1 1296 216 216 ARG CB C 29.500 0.5 1 1297 216 216 ARG N N 118.238 0.5 1 1298 217 217 LEU H H 7.738 0.05 1 1299 217 217 LEU HA H 4.080 0.05 1 1300 217 217 LEU HD1 H 0.770 0.05 2 1301 217 217 LEU HD2 H 0.830 0.05 2 1302 217 217 LEU C C 178.900 0.5 1 1303 217 217 LEU CA C 56.900 0.5 1 1304 217 217 LEU CB C 41.300 0.5 1 1305 217 217 LEU CD1 C 23.900 0.5 1 1306 217 217 LEU CD2 C 24.700 0.5 1 1307 217 217 LEU N N 119.638 0.5 1 1308 218 218 LEU H H 7.758 0.05 1 1309 218 218 LEU HA H 3.940 0.05 1 1310 218 218 LEU HD1 H 0.740 0.05 2 1311 218 218 LEU HD2 H 0.670 0.05 2 1312 218 218 LEU C C 178.300 0.5 1 1313 218 218 LEU CA C 56.900 0.5 1 1314 218 218 LEU CB C 41.300 0.5 1 1315 218 218 LEU CD1 C 25.000 0.5 1 1316 218 218 LEU CD2 C 23.900 0.5 1 1317 218 218 LEU N N 119.638 0.5 1 1318 219 219 VAL H H 7.718 0.05 1 1319 219 219 VAL HG1 H 0.950 0.05 2 1320 219 219 VAL HG2 H 1.000 0.05 2 1321 219 219 VAL C C 177.100 0.5 1 1322 219 219 VAL CA C 64.100 0.5 1 1323 219 219 VAL CB C 32.300 0.5 1 1324 219 219 VAL CG1 C 21.400 0.5 1 1325 219 219 VAL CG2 C 21.500 0.5 1 1326 219 219 VAL N N 116.838 0.5 1 1327 220 220 GLU H H 8.127 0.05 1 1328 220 220 GLU HA H 4.150 0.05 1 1329 220 220 GLU HB2 H 2.220 0.05 2 1330 220 220 GLU HB3 H 2.370 0.05 2 1331 220 220 GLU C C 177.600 0.5 1 1332 220 220 GLU CA C 57.800 0.5 1 1333 220 220 GLU CB C 29.700 0.5 1 1334 220 220 GLU N N 120.138 0.5 1 1335 221 221 THR H H 7.878 0.05 1 1336 221 221 THR HA H 4.180 0.05 1 1337 221 221 THR HB H 4.140 0.05 1 1338 221 221 THR HG2 H 1.070 0.05 1 1339 221 221 THR C C 174.900 0.5 1 1340 221 221 THR CA C 63.100 0.5 1 1341 221 221 THR CB C 69.400 0.5 1 1342 221 221 THR CG2 C 21.600 0.5 1 1343 221 221 THR N N 113.038 0.5 1 1344 222 222 ILE H H 7.847 0.05 1 1345 222 222 ILE HA H 3.900 0.05 1 1346 222 222 ILE HB H 1.720 0.05 1 1347 222 222 ILE HD1 H 0.650 0.05 1 1348 222 222 ILE HG12 H 0.980 0.05 1 1349 222 222 ILE HG13 H 1.270 0.05 1 1350 222 222 ILE HG2 H 0.550 0.05 1 1351 222 222 ILE C C 175.900 0.5 1 1352 222 222 ILE CA C 62.600 0.5 1 1353 222 222 ILE CB C 37.700 0.5 1 1354 222 222 ILE CD1 C 13.300 0.5 1 1355 222 222 ILE CG1 C 27.300 0.5 1 1356 222 222 ILE CG2 C 17.400 0.5 1 1357 222 222 ILE N N 121.438 0.5 1 1358 223 223 TYR H H 7.867 0.05 1 1359 223 223 TYR HB2 H 3.160 0.05 2 1360 223 223 TYR HB3 H 2.780 0.05 2 1361 223 223 TYR HD1 H 7.100 0.05 3 1362 223 223 TYR HE1 H 6.720 0.05 3 1363 223 223 TYR C C 175.100 0.5 1 1364 223 223 TYR CA C 57.800 0.5 1 1365 223 223 TYR CB C 38.200 0.5 1 1366 223 223 TYR CD1 C 133.200 0.5 3 1367 223 223 TYR CE1 C 118.100 0.5 3 1368 223 223 TYR N N 120.938 0.5 1 1369 224 224 SER H H 7.657 0.05 1 1370 224 224 SER HA H 4.230 0.05 1 1371 224 224 SER HB2 H 3.840 0.05 2 1372 224 224 SER C C 178.600 0.5 1 1373 224 224 SER CA C 60.300 0.5 1 1374 224 224 SER CB C 64.900 0.5 1 1375 224 224 SER N N 121.738 0.5 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $gel_aligned stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value DHN 30 ALA N 30 ALA H 3.98823 $NMRView ? ? . . DHN 31 LEU N 31 LEU H 13.20275 $NMRView ? ? . . DHN 32 PHE N 32 PHE H 7.12717 $NMRView ? ? . . DHN 33 VAL N 33 VAL H 12.1285 $NMRView ? ? . . DHN 34 THR N 34 THR H 3.7849 $NMRView ? ? . . DHN 35 CYS N 35 CYS H 7.95699 $NMRView ? ? . . DHN 43 LYS N 43 LYS H 7.14721 $NMRView ? ? . . DHN 44 LEU N 44 LEU H -7.65797 $NMRView ? ? . . DHN 46 SER N 46 SER H -0.205 $NMRView ? ? . . DHN 47 CYS N 47 CYS H 5.44515 $NMRView ? ? . . DHN 48 VAL N 48 VAL H -5.59172 $NMRView ? ? . . DHN 49 LEU N 49 LEU H 2.55071 $NMRView ? ? . . DHN 50 SER N 50 SER H 10.28556 $NMRView ? ? . . DHN 51 ASP N 51 ASP H -2.45246 $NMRView ? ? . . DHN 52 GLU N 52 GLU H -1.25718 $NMRView ? ? . . DHN 53 PHE N 53 PHE H -5.57142 $NMRView ? ? . . DHN 54 CYS N 54 CYS H -0.72094 $NMRView ? ? . . DHN 56 GLU N 56 GLU H -1.17647 $NMRView ? ? . . DHN 57 LEU N 57 LEU H 0.44387 $NMRView ? ? . . DHN 58 ILE N 58 ILE H -0.87248 $NMRView ? ? . . DHN 59 GLN N 59 GLN H -1.45941 $NMRView ? ? . . DHN 60 TYR N 60 TYR H -1.15618 $NMRView ? ? . . DHN 61 GLY N 61 GLY H -2.16986 $NMRView ? ? . . DHN 62 PHE N 62 PHE H -10.49344 $NMRView ? ? . . DHN 63 VAL N 63 VAL H -0.54763 $NMRView ? ? . . DHN 65 LEU N 65 LEU H 14.45788 $NMRView ? ? . . DHN 66 ILE N 66 ILE H 7.42981 $NMRView ? ? . . DHN 67 ILE N 67 ILE H 11.54193 $NMRView ? ? . . DHN 83 GLU N 83 GLU H 4.61529 $NMRView ? ? . . DHN 84 ARG N 84 ARG H -4.90133 $NMRView ? ? . . DHN 85 GLY N 85 GLY H -2.00699 $NMRView ? ? . . DHN 86 GLY N 86 GLY H 6.17389 $NMRView ? ? . . DHN 87 GLN N 87 GLN H 5.20335 $NMRView ? ? . . DHN 88 ARG N 88 ARG H 4.04809 $NMRView ? ? . . DHN 89 GLU N 89 GLU H 11.44059 $NMRView ? ? . . DHN 90 SER N 90 SER H -2.95852 $NMRView ? ? . . DHN 95 ILE N 95 ILE H 6.50067 $NMRView ? ? . . DHN 96 ASP N 96 ASP H -0.67069 $NMRView ? ? . . DHN 97 GLN N 97 GLN H 6.33731 $NMRView ? ? . . DHN 104 ALA N 104 ALA H -7.73957 $NMRView ? ? . . DHN 105 ARG N 105 ARG H 9.96216 $NMRView ? ? . . DHN 106 GLN N 106 GLN H 4.59579 $NMRView ? ? . . DHN 107 TYR N 107 TYR H 12.93932 $NMRView ? ? . . DHN 108 VAL N 108 VAL H 5.79039 $NMRView ? ? . . DHN 109 LEU N 109 LEU H 2.34818 $NMRView ? ? . . DHN 110 MET N 110 MET H 0.32258 $NMRView ? ? . . DHN 114 LEU N 114 LEU H 5.08161 $NMRView ? ? . . DHN 115 LYS N 115 LYS H 4.5347 $NMRView ? ? . . DHN 116 VAL N 116 VAL H 12.59485 $NMRView ? ? . . DHN 117 ILE N 117 ILE H 6.59976 $NMRView ? ? . . DHN 118 GLY N 118 GLY H 12.12843 $NMRView ? ? . . DHN 124 LYS N 124 LYS H 2.55037 $NMRView ? ? . . DHN 125 MET N 125 MET H -3.12056 $NMRView ? ? . . DHN 126 GLN N 126 GLN H -8.0215 $NMRView ? ? . . DHN 127 SER N 127 SER H -3.24162 $NMRView ? ? . . DHN 129 ILE N 129 ILE H -1.78359 $NMRView ? ? . . DHN 130 ARG N 130 ARG H -7.00904 $NMRView ? ? . . DHN 131 ASP N 131 ASP H -5.63084 $NMRView ? ? . . DHN 132 TYR N 132 TYR H 0.98826 $NMRView ? ? . . DHN 135 LEU N 135 LEU H -1.48104 $NMRView ? ? . . DHN 136 VAL N 136 VAL H 9.7602 $NMRView ? ? . . DHN 137 ILE N 137 ILE H 6.60117 $NMRView ? ? . . DHN 138 SER N 138 SER H -0.833 $NMRView ? ? . . DHN 139 HIS N 139 HIS H 1.05054 $NMRView ? ? . . DHN 143 GLY N 143 GLY H -1.39955 $NMRView ? ? . . DHN 144 SER N 144 SER H -2.95891 $NMRView ? ? . . DHN 145 ILE N 145 ILE H 1.43637 $NMRView ? ? . . DHN 146 LEU N 146 LEU H -5.28738 $NMRView ? ? . . DHN 147 ASP N 147 ASP H -0.67026 $NMRView ? ? . . DHN 148 SER N 148 SER H -3.52622 $NMRView ? ? . . DHN 149 LEU N 149 LEU H -16.08243 $NMRView ? ? . . DHN 151 LEU N 151 LEU H -1.05408 $NMRView ? ? . . DHN 152 ASN N 152 ASN H 2.69172 $NMRView ? ? . . DHN 156 ILE N 156 ILE H 5.99262 $NMRView ? ? . . DHN 157 VAL N 157 VAL H 1.05187 $NMRView ? ? . . DHN 158 CYS N 158 CYS H -7.51561 $NMRView ? ? . . DHN 160 ASN N 160 ASN H -3.76925 $NMRView ? ? . . DHN 170 GLN N 170 GLN H -1.86453 $NMRView ? ? . . DHN 171 ILE N 171 ILE H 2.56715 $NMRView ? ? . . DHN 172 ALA N 172 ALA H -3.93246 $NMRView ? ? . . DHN 173 ASP N 173 ASP H -0.20438 $NMRView ? ? . . DHN 174 LYS N 174 LYS H -2.1488 $NMRView ? ? . . DHN 175 PHE N 175 PHE H 2.61046 $NMRView ? ? . . DHN 176 VAL N 176 VAL H -1.78449 $NMRView ? ? . . DHN 177 GLU N 177 GLU H -3.32279 $NMRView ? ? . . DHN 178 LEU N 178 LEU H -1.19599 $NMRView ? ? . . DHN 179 GLY N 179 GLY H -4.29554 $NMRView ? ? . . DHN 180 TYR N 180 TYR H 4.22836 $NMRView ? ? . . DHN 181 VAL N 181 VAL H 5.75004 $NMRView ? ? . . DHN 182 TRP N 182 TRP H 2.34803 $NMRView ? ? . . DHN 183 SER N 183 SER H -6.01711 $NMRView ? ? . . DHN 185 ALA N 185 ALA H -7.61794 $NMRView ? ? . . DHN 187 THR N 187 THR H 1.67927 $NMRView ? ? . . DHN 188 GLU N 188 GLU H -1.54068 $NMRView ? ? . . DHN 189 THR N 189 THR H -2.14824 $NMRView ? ? . . DHN 190 GLY N 190 GLY H -0.99466 $NMRView ? ? . . DHN 191 LEU N 191 LEU H 2.69117 $NMRView ? ? . . DHN 192 ILE N 192 ILE H -4.39721 $NMRView ? ? . . DHN 194 GLY N 194 GLY H 0.98989 $NMRView ? ? . . DHN 195 LEU N 195 LEU H -1.46064 $NMRView ? ? . . DHN 196 ARG N 196 ARG H -2.16953 $NMRView ? ? . . DHN 197 ALA N 197 ALA H -0.36648 $NMRView ? ? . . DHN 199 GLN N 199 GLN H -7.77926 $NMRView ? ? . . DHN 200 THR N 200 THR H -3.85517 $NMRView ? ? . . DHN 201 GLU N 201 GLU H 0.05915 $NMRView ? ? . . DHN 202 LYS N 202 LYS H 0.0391 $NMRView ? ? . . DHN 203 LEU N 203 LEU H 6.07356 $NMRView ? ? . . DHN 213 SER N 213 SER H -2.91823 $NMRView ? ? . . DHN 214 PHE N 214 PHE H -3.0393 $NMRView ? ? . . DHN 215 GLU N 215 GLU H -8.36587 $NMRView ? ? . . DHN 216 ARG N 216 ARG H -7.49499 $NMRView ? ? . . DHN 217 LEU N 217 LEU H -4.39678 $NMRView ? ? . . DHN 218 LEU N 218 LEU H -5.36863 $NMRView ? ? . . DHN 219 VAL N 219 VAL H -9.43929 $NMRView ? ? . . DHN 220 GLU N 220 GLU H -6.53708 $NMRView ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_