data_16378 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignment of GtR34C from Geobacillus thermodenitrificans. North East Structural Genomics Consortium Target GtR34C ; _BMRB_accession_number 16378 _BMRB_flat_file_name bmr16378.str _Entry_type original _Submission_date 2009-06-29 _Accession_date 2009-06-29 _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 Lee Hsiau-Wei . . 2 Wang Huang . . 3 Ciccosanti Colleen . . 4 Jiang Mei . . 5 Nair R . . 6 Rost Burkhard . . 7 Acton Thomas B. . 8 Xiao Rong . . 9 Swapna GVT . . 10 Evertt John K. . 11 Montelione Gaetano T. . 12 Prestegard James H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 435 "13C chemical shifts" 324 "15N chemical shifts" 76 "residual dipolar couplings" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-07 original author . stop_ _Original_release_date 2009-07-07 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of GtR34C' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Hsiau-Wei . . 2 Montelione Gaetano T. . 3 Prestegard James H. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GtR34C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GtR34C $GtR34C stop_ _System_molecular_weight 9.50 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GtR34C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GtR34C _Molecular_mass 19278.225 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MNEAKGVYVMSVLPNMPAAG RLEAGDRIAAIDGQPINTSE QIVSYVREKQAGDRVRVTFI RDRKQHEAELVLKPFPHHPN QIGLGVTMNEAKGVYVMSVL PNMPAAGRLEAGDRIAAIDG QPINTSEQIVSYVREKQAGD RVRVTFIRDRKQHEAELVLK PFPHHPNQIGLGVT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 GLU 4 ALA 5 LYS 6 GLY 7 VAL 8 TYR 9 VAL 10 MET 11 SER 12 VAL 13 LEU 14 PRO 15 ASN 16 MET 17 PRO 18 ALA 19 ALA 20 GLY 21 ARG 22 LEU 23 GLU 24 ALA 25 GLY 26 ASP 27 ARG 28 ILE 29 ALA 30 ALA 31 ILE 32 ASP 33 GLY 34 GLN 35 PRO 36 ILE 37 ASN 38 THR 39 SER 40 GLU 41 GLN 42 ILE 43 VAL 44 SER 45 TYR 46 VAL 47 ARG 48 GLU 49 LYS 50 GLN 51 ALA 52 GLY 53 ASP 54 ARG 55 VAL 56 ARG 57 VAL 58 THR 59 PHE 60 ILE 61 ARG 62 ASP 63 ARG 64 LYS 65 GLN 66 HIS 67 GLU 68 ALA 69 GLU 70 LEU 71 VAL 72 LEU 73 LYS 74 PRO 75 PHE 76 PRO 77 HIS 78 HIS 79 PRO 80 ASN 81 GLN 82 ILE 83 GLY 84 LEU 85 GLY 86 VAL 87 THR 88 MET 89 ASN 90 GLU 91 ALA 92 LYS 93 GLY 94 VAL 95 TYR 96 VAL 97 MET 98 SER 99 VAL 100 LEU 101 PRO 102 ASN 103 MET 104 PRO 105 ALA 106 ALA 107 GLY 108 ARG 109 LEU 110 GLU 111 ALA 112 GLY 113 ASP 114 ARG 115 ILE 116 ALA 117 ALA 118 ILE 119 ASP 120 GLY 121 GLN 122 PRO 123 ILE 124 ASN 125 THR 126 SER 127 GLU 128 GLN 129 ILE 130 VAL 131 SER 132 TYR 133 VAL 134 ARG 135 GLU 136 LYS 137 GLN 138 ALA 139 GLY 140 ASP 141 ARG 142 VAL 143 ARG 144 VAL 145 THR 146 PHE 147 ILE 148 ARG 149 ASP 150 ARG 151 LYS 152 GLN 153 HIS 154 GLU 155 ALA 156 GLU 157 LEU 158 VAL 159 LEU 160 LYS 161 PRO 162 PHE 163 PRO 164 HIS 165 HIS 166 PRO 167 ASN 168 GLN 169 ILE 170 GLY 171 LEU 172 GLY 173 VAL 174 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2KL1 "Solution Structure Of Gtr34c From Geobacillus Thermodenitrificans. Northeast Structural Genomics Consortium Target Gtr34c" 50.00 94 100.00 100.00 1.14e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GtR34C 'Geobacillus thermodenitrificans' 33940 Bacteria . Geobacillus thermodenitrificans stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GtR34C 'recombinant technology' . Geobacillus thermodenitrificans . 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GtR34C 1.14 mM '[U-100% 13C; U-100% 15N]' 'sodium azide' 2 % 'natural abundance' DTT 10 mM 'natural abundance' CaCl 5 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' MES 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_PEG _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GtR34C 1.14 mM '[U-100% 13C; U-100% 15N]' 'sodium azide' 2 % 'natural abundance' DTT 10 mM 'natural abundance' CaCl 5 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' MES 20 mM 'natural abundance' 'C12E5 PEG/Hexanol' 4.2 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_GEL _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GtR34C 1.14 mM '[U-100% 13C; U-100% 15N]' 'sodium azide' 2 % 'natural abundance' DTT 10 mM 'natural abundance' CaCl 5 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' MES 20 mM 'natural abundance' 'Negatively Charged Compressed Polyacrylamide Gel' 7 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 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 2.18 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ 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_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'With Cold Probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_15N_HSQCTROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HSQCTROSY' _Sample_label $PEG save_ save_2D_15N_HSQCTROSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HSQCTROSY' _Sample_label $GEL 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' 200 . mM pH 6.5 . pH pressure ambient . atm temperature 298 . 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GtR34C _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 2 2 ASN HA H 4.686 0.04 1 2 2 2 ASN HB2 H 2.836 0.04 2 3 2 2 ASN HB3 H 2.836 0.04 2 4 2 2 ASN C C 174.680 0.5 1 5 2 2 ASN CA C 53.665 0.5 1 6 2 2 ASN CB C 38.589 0.5 1 7 3 3 GLU H H 8.649 0.04 1 8 3 3 GLU HA H 4.248 0.04 1 9 3 3 GLU HB2 H 2.001 0.04 2 10 3 3 GLU HB3 H 2.001 0.04 2 11 3 3 GLU HG2 H 2.278 0.04 2 12 3 3 GLU HG3 H 2.278 0.04 2 13 3 3 GLU C C 176.073 0.5 1 14 3 3 GLU CA C 57.083 0.5 1 15 3 3 GLU CB C 30.167 0.5 1 16 3 3 GLU CG C 36.482 0.5 1 17 3 3 GLU N N 121.757 0.5 1 18 4 4 ALA H H 8.386 0.04 1 19 4 4 ALA HA H 4.381 0.04 1 20 4 4 ALA HB H 1.378 0.04 1 21 4 4 ALA C C 177.462 0.5 1 22 4 4 ALA CA C 52.301 0.5 1 23 4 4 ALA CB C 19.282 0.5 1 24 4 4 ALA N N 125.167 0.5 1 25 5 5 LYS H H 8.350 0.04 1 26 5 5 LYS HA H 4.414 0.04 1 27 5 5 LYS HB2 H 1.853 0.04 2 28 5 5 LYS HB3 H 1.853 0.04 2 29 5 5 LYS HD2 H 1.694 0.04 2 30 5 5 LYS HD3 H 1.694 0.04 2 31 5 5 LYS HE2 H 3.001 0.04 2 32 5 5 LYS HE3 H 3.001 0.04 2 33 5 5 LYS HG2 H 1.482 0.04 2 34 5 5 LYS HG3 H 1.482 0.04 2 35 5 5 LYS C C 176.899 0.5 1 36 5 5 LYS CA C 56.528 0.5 1 37 5 5 LYS CB C 33.721 0.5 1 38 5 5 LYS CD C 29.115 0.5 1 39 5 5 LYS CE C 42.263 0.5 1 40 5 5 LYS CG C 24.695 0.5 1 41 5 5 LYS N N 121.236 0.5 1 42 6 6 GLY H H 8.365 0.04 1 43 6 6 GLY HA2 H 4.151 0.04 2 44 6 6 GLY HA3 H 3.995 0.04 2 45 6 6 GLY CA C 44.642 0.5 1 46 6 6 GLY N N 108.016 0.5 1 47 7 7 VAL H H 8.247 0.04 1 48 7 7 VAL HA H 4.357 0.04 1 49 7 7 VAL HB H 1.822 0.04 1 50 7 7 VAL HG1 H 0.843 0.04 2 51 7 7 VAL HG2 H 0.658 0.04 2 52 7 7 VAL C C 174.409 0.5 1 53 7 7 VAL CA C 61.144 0.5 1 54 7 7 VAL CG1 C 22.758 0.5 2 55 7 7 VAL CG2 C 21.318 0.5 2 56 7 7 VAL N N 118.421 0.5 1 57 8 8 TYR H H 9.029 0.04 1 58 8 8 TYR HA H 4.886 0.04 1 59 8 8 TYR HB2 H 2.741 0.04 2 60 8 8 TYR HB3 H 2.741 0.04 2 61 8 8 TYR HD1 H 6.945 0.04 3 62 8 8 TYR HD2 H 6.945 0.04 3 63 8 8 TYR HE1 H 6.811 0.04 3 64 8 8 TYR HE2 H 6.811 0.04 3 65 8 8 TYR C C 175.284 0.5 1 66 8 8 TYR CA C 58.398 0.5 1 67 8 8 TYR CB C 40.878 0.5 1 68 8 8 TYR CD1 C 133.495 0.5 3 69 8 8 TYR N N 126.127 0.5 1 70 9 9 VAL H H 8.817 0.04 1 71 9 9 VAL HA H 3.944 0.04 1 72 9 9 VAL HB H 2.182 0.04 1 73 9 9 VAL HG1 H 0.787 0.04 2 74 9 9 VAL HG2 H 0.594 0.04 2 75 9 9 VAL C C 175.733 0.5 1 76 9 9 VAL CA C 62.886 0.5 1 77 9 9 VAL CB C 32.104 0.5 1 78 9 9 VAL CG1 C 22.128 0.5 2 79 9 9 VAL CG2 C 22.256 0.5 2 80 9 9 VAL N N 122.661 0.5 1 81 10 10 MET H H 9.246 0.04 1 82 10 10 MET HA H 4.663 0.04 1 83 10 10 MET HB2 H 2.055 0.04 2 84 10 10 MET HB3 H 1.817 0.04 2 85 10 10 MET HG2 H 2.577 0.04 2 86 10 10 MET HG3 H 2.404 0.04 2 87 10 10 MET C C 176.094 0.5 1 88 10 10 MET CA C 56.000 0.5 1 89 10 10 MET CB C 32.697 0.5 1 90 10 10 MET CG C 31.885 0.5 1 91 10 10 MET N N 128.567 0.5 1 92 11 11 SER H H 7.616 0.04 1 93 11 11 SER HA H 4.542 0.04 1 94 11 11 SER HB2 H 3.824 0.04 2 95 11 11 SER HB3 H 3.824 0.04 2 96 11 11 SER C C 171.288 0.5 1 97 11 11 SER CA C 57.470 0.5 1 98 11 11 SER CB C 64.980 0.5 1 99 11 11 SER N N 111.067 0.5 1 100 12 12 VAL H H 8.501 0.04 1 101 12 12 VAL HA H 4.489 0.04 1 102 12 12 VAL HB H 1.835 0.04 1 103 12 12 VAL HG1 H 0.763 0.04 2 104 12 12 VAL HG2 H 0.619 0.04 2 105 12 12 VAL C C 175.719 0.5 1 106 12 12 VAL CA C 61.185 0.5 1 107 12 12 VAL CB C 34.424 0.5 1 108 12 12 VAL CG1 C 21.225 0.5 2 109 12 12 VAL CG2 C 20.625 0.5 2 110 12 12 VAL N N 120.040 0.5 1 111 13 13 LEU H H 8.324 0.04 1 112 13 13 LEU HA H 4.575 0.04 1 113 13 13 LEU HB2 H 1.610 0.04 2 114 13 13 LEU HB3 H 1.406 0.04 2 115 13 13 LEU HD1 H 0.893 0.04 2 116 13 13 LEU HD2 H 0.909 0.04 2 117 13 13 LEU CA C 53.336 0.5 1 118 13 13 LEU CB C 41.551 0.5 1 119 13 13 LEU CD1 C 25.075 0.5 2 120 13 13 LEU CD2 C 23.829 0.5 2 121 13 13 LEU N N 129.751 0.5 1 122 14 14 PRO HA H 4.369 0.04 1 123 14 14 PRO HB2 H 2.293 0.04 2 124 14 14 PRO HB3 H 1.902 0.04 2 125 14 14 PRO HD2 H 3.947 0.04 2 126 14 14 PRO HG2 H 2.072 0.04 2 127 14 14 PRO HG3 H 2.072 0.04 2 128 14 14 PRO C C 176.646 0.5 1 129 14 14 PRO CA C 63.060 0.5 1 130 14 14 PRO CB C 32.172 0.5 1 131 14 14 PRO CD C 50.717 0.5 1 132 14 14 PRO CG C 27.373 0.5 1 133 15 15 ASN H H 8.748 0.04 1 134 15 15 ASN HA H 4.459 0.04 1 135 15 15 ASN HB2 H 2.933 0.04 2 136 15 15 ASN HB3 H 2.933 0.04 2 137 15 15 ASN HD21 H 7.598 0.04 2 138 15 15 ASN HD22 H 6.919 0.04 2 139 15 15 ASN C C 173.812 0.5 1 140 15 15 ASN CA C 53.927 0.5 1 141 15 15 ASN CB C 37.517 0.5 1 142 15 15 ASN N N 113.165 0.5 1 143 15 15 ASN ND2 N 113.119 0.5 1 144 16 16 MET H H 7.037 0.04 1 145 16 16 MET HA H 5.217 0.04 1 146 16 16 MET HB2 H 2.062 0.04 2 147 16 16 MET HB3 H 2.062 0.04 2 148 16 16 MET HG2 H 2.354 0.04 2 149 16 16 MET HG3 H 2.250 0.04 2 150 16 16 MET CA C 52.844 0.5 1 151 16 16 MET CB C 32.706 0.5 1 152 16 16 MET N N 117.783 0.5 1 153 17 17 PRO HA H 4.300 0.04 1 154 17 17 PRO HB2 H 2.585 0.04 2 155 17 17 PRO HB3 H 1.875 0.04 2 156 17 17 PRO HD2 H 3.819 0.04 2 157 17 17 PRO HD3 H 3.469 0.04 2 158 17 17 PRO HG2 H 2.515 0.04 2 159 17 17 PRO HG3 H 2.201 0.04 2 160 17 17 PRO C C 176.365 0.5 1 161 17 17 PRO CA C 66.084 0.5 1 162 17 17 PRO CB C 33.280 0.5 1 163 17 17 PRO CD C 51.086 0.5 1 164 17 17 PRO CG C 29.207 0.5 1 165 18 18 ALA H H 7.947 0.04 1 166 18 18 ALA HA H 4.028 0.04 1 167 18 18 ALA HB H 1.190 0.04 1 168 18 18 ALA C C 177.047 0.5 1 169 18 18 ALA CA C 53.088 0.5 1 170 18 18 ALA CB C 19.788 0.5 1 171 18 18 ALA N N 114.393 0.5 1 172 19 19 ALA H H 7.723 0.04 1 173 19 19 ALA HA H 4.026 0.04 1 174 19 19 ALA HB H 1.575 0.04 1 175 19 19 ALA C C 178.641 0.5 1 176 19 19 ALA CA C 54.402 0.5 1 177 19 19 ALA CB C 17.896 0.5 1 178 19 19 ALA N N 124.141 0.5 1 179 20 20 GLY H H 9.210 0.04 1 180 20 20 GLY HA2 H 4.218 0.04 2 181 20 20 GLY HA3 H 3.761 0.04 2 182 20 20 GLY C C 173.843 0.5 1 183 20 20 GLY CA C 45.594 0.5 1 184 20 20 GLY N N 113.422 0.5 1 185 21 21 ARG H H 8.273 0.04 1 186 21 21 ARG HA H 4.568 0.04 1 187 21 21 ARG HB2 H 1.577 0.04 2 188 21 21 ARG HB3 H 1.577 0.04 2 189 21 21 ARG HD2 H 3.229 0.04 2 190 21 21 ARG HD3 H 3.229 0.04 2 191 21 21 ARG HG2 H 1.625 0.04 2 192 21 21 ARG HG3 H 1.625 0.04 2 193 21 21 ARG C C 175.470 0.5 1 194 21 21 ARG CA C 56.459 0.5 1 195 21 21 ARG CB C 32.101 0.5 1 196 21 21 ARG CD C 42.622 0.5 1 197 21 21 ARG CG C 26.841 0.5 1 198 21 21 ARG N N 118.680 0.5 1 199 22 22 LEU H H 8.051 0.04 1 200 22 22 LEU HA H 4.068 0.04 1 201 22 22 LEU HB2 H 1.171 0.04 2 202 22 22 LEU HB3 H 1.171 0.04 2 203 22 22 LEU HD1 H 0.502 0.04 2 204 22 22 LEU HD2 H 0.000 0.04 2 205 22 22 LEU HG H 1.045 0.04 1 206 22 22 LEU C C 173.868 0.5 1 207 22 22 LEU CA C 52.990 0.5 1 208 22 22 LEU CB C 44.086 0.5 1 209 22 22 LEU CD1 C 25.601 0.5 2 210 22 22 LEU CD2 C 23.092 0.5 2 211 22 22 LEU CG C 27.966 0.5 1 212 22 22 LEU N N 117.587 0.5 1 213 23 23 GLU H H 8.860 0.04 1 214 23 23 GLU HA H 4.375 0.04 1 215 23 23 GLU HB2 H 1.909 0.04 2 216 23 23 GLU HB3 H 1.594 0.04 2 217 23 23 GLU HG2 H 2.091 0.04 2 218 23 23 GLU HG3 H 2.091 0.04 2 219 23 23 GLU C C 175.050 0.5 1 220 23 23 GLU CA C 54.161 0.5 1 221 23 23 GLU CB C 34.040 0.5 1 222 23 23 GLU CG C 35.768 0.5 1 223 23 23 GLU N N 119.047 0.5 1 224 24 24 ALA H H 8.556 0.04 1 225 24 24 ALA HA H 3.730 0.04 1 226 24 24 ALA HB H 1.296 0.04 1 227 24 24 ALA C C 179.085 0.5 1 228 24 24 ALA CA C 53.391 0.5 1 229 24 24 ALA CB C 18.089 0.5 1 230 24 24 ALA N N 122.243 0.5 1 231 25 25 GLY H H 9.168 0.04 1 232 25 25 GLY HA2 H 4.543 0.04 2 233 25 25 GLY HA3 H 3.646 0.04 2 234 25 25 GLY C C 175.011 0.5 1 235 25 25 GLY CA C 44.814 0.5 1 236 25 25 GLY N N 113.135 0.5 1 237 26 26 ASP H H 8.096 0.04 1 238 26 26 ASP HA H 4.872 0.04 1 239 26 26 ASP HB2 H 2.522 0.04 2 240 26 26 ASP HB3 H 2.200 0.04 2 241 26 26 ASP C C 175.144 0.5 1 242 26 26 ASP CA C 55.515 0.5 1 243 26 26 ASP CB C 41.679 0.5 1 244 26 26 ASP N N 122.956 0.5 1 245 27 27 ARG H H 8.432 0.04 1 246 27 27 ARG HA H 4.819 0.04 1 247 27 27 ARG HB2 H 1.673 0.04 2 248 27 27 ARG HB3 H 1.386 0.04 2 249 27 27 ARG HD2 H 3.134 0.04 2 250 27 27 ARG HD3 H 2.854 0.04 2 251 27 27 ARG HG2 H 0.945 0.04 2 252 27 27 ARG HG3 H 0.945 0.04 2 253 27 27 ARG C C 176.926 0.5 1 254 27 27 ARG CA C 54.124 0.5 1 255 27 27 ARG CB C 33.042 0.5 1 256 27 27 ARG CD C 43.483 0.5 1 257 27 27 ARG CG C 27.943 0.5 1 258 27 27 ARG N N 119.925 0.5 1 259 28 28 ILE H H 9.031 0.04 1 260 28 28 ILE HA H 3.979 0.04 1 261 28 28 ILE HB H 1.657 0.04 1 262 28 28 ILE HD1 H 0.579 0.04 1 263 28 28 ILE HG2 H 0.762 0.04 1 264 28 28 ILE C C 173.621 0.5 1 265 28 28 ILE CA C 62.384 0.5 1 266 28 28 ILE CB C 37.759 0.5 1 267 28 28 ILE CD1 C 12.367 0.5 1 268 28 28 ILE CG1 C 27.392 0.5 1 269 28 28 ILE CG2 C 17.364 0.5 1 270 28 28 ILE N N 126.353 0.5 1 271 29 29 ALA H H 8.893 0.04 1 272 29 29 ALA HA H 4.652 0.04 1 273 29 29 ALA HB H 1.220 0.04 1 274 29 29 ALA C C 177.863 0.5 1 275 29 29 ALA CA C 52.385 0.5 1 276 29 29 ALA CB C 21.218 0.5 1 277 29 29 ALA N N 130.276 0.5 1 278 30 30 ALA H H 8.070 0.04 1 279 30 30 ALA HA H 5.077 0.04 1 280 30 30 ALA HB H 1.055 0.04 1 281 30 30 ALA C C 175.450 0.5 1 282 30 30 ALA CA C 52.354 0.5 1 283 30 30 ALA CB C 21.682 0.5 1 284 30 30 ALA N N 119.304 0.5 1 285 31 31 ILE H H 8.121 0.04 1 286 31 31 ILE HA H 4.920 0.04 1 287 31 31 ILE HB H 1.336 0.04 1 288 31 31 ILE HD1 H 0.801 0.04 1 289 31 31 ILE HG12 H 1.001 0.04 2 290 31 31 ILE HG13 H 1.001 0.04 2 291 31 31 ILE HG2 H 0.589 0.04 1 292 31 31 ILE C C 174.841 0.5 1 293 31 31 ILE CA C 59.277 0.5 1 294 31 31 ILE CB C 40.677 0.5 1 295 31 31 ILE CD1 C 14.027 0.5 1 296 31 31 ILE CG1 C 28.096 0.5 1 297 31 31 ILE CG2 C 17.163 0.5 1 298 31 31 ILE N N 117.717 0.5 1 299 32 32 ASP H H 10.086 0.04 1 300 32 32 ASP HA H 4.428 0.04 1 301 32 32 ASP HB2 H 3.101 0.04 2 302 32 32 ASP HB3 H 2.711 0.04 2 303 32 32 ASP C C 175.928 0.5 1 304 32 32 ASP CA C 55.904 0.5 1 305 32 32 ASP CB C 39.061 0.5 1 306 32 32 ASP N N 128.594 0.5 1 307 33 33 GLY H H 8.698 0.04 1 308 33 33 GLY HA2 H 4.100 0.04 2 309 33 33 GLY HA3 H 3.561 0.04 2 310 33 33 GLY C C 173.821 0.5 1 311 33 33 GLY CA C 45.265 0.5 1 312 33 33 GLY N N 102.728 0.5 1 313 34 34 GLN H H 8.119 0.04 1 314 34 34 GLN HA H 4.746 0.04 1 315 34 34 GLN HB2 H 2.030 0.04 2 316 34 34 GLN HB3 H 2.030 0.04 2 317 34 34 GLN HG2 H 2.274 0.04 2 318 34 34 GLN HG3 H 2.274 0.04 2 319 34 34 GLN C C 173.184 0.5 1 320 34 34 GLN CA C 52.142 0.5 1 321 34 34 GLN CB C 28.762 0.5 1 322 34 34 GLN CG C 33.256 0.5 1 323 34 34 GLN N N 122.963 0.5 1 324 35 35 PRO HA H 4.586 0.04 1 325 35 35 PRO HB2 H 2.322 0.04 2 326 35 35 PRO HB3 H 1.892 0.04 2 327 35 35 PRO HD2 H 4.019 0.04 2 328 35 35 PRO HD3 H 3.717 0.04 2 329 35 35 PRO HG2 H 2.088 0.04 2 330 35 35 PRO HG3 H 2.088 0.04 2 331 35 35 PRO C C 176.387 0.5 1 332 35 35 PRO CA C 62.714 0.5 1 333 35 35 PRO CB C 32.404 0.5 1 334 35 35 PRO CD C 51.041 0.5 1 335 35 35 PRO CG C 27.636 0.5 1 336 36 36 ILE H H 7.688 0.04 1 337 36 36 ILE HA H 4.418 0.04 1 338 36 36 ILE HB H 1.723 0.04 1 339 36 36 ILE HD1 H 0.556 0.04 1 340 36 36 ILE HG12 H 1.440 0.04 2 341 36 36 ILE HG13 H 0.989 0.04 2 342 36 36 ILE HG2 H 0.776 0.04 1 343 36 36 ILE C C 174.844 0.5 1 344 36 36 ILE CA C 57.534 0.5 1 345 36 36 ILE CB C 39.192 0.5 1 346 36 36 ILE CD1 C 10.608 0.5 1 347 36 36 ILE CG1 C 26.117 0.5 1 348 36 36 ILE CG2 C 19.024 0.5 1 349 36 36 ILE N N 121.099 0.5 1 350 37 37 ASN H H 9.516 0.04 1 351 37 37 ASN HA H 4.934 0.04 1 352 37 37 ASN HB2 H 2.832 0.04 2 353 37 37 ASN HB3 H 2.832 0.04 2 354 37 37 ASN C C 174.655 0.5 1 355 37 37 ASN CA C 53.748 0.5 1 356 37 37 ASN CB C 41.998 0.5 1 357 37 37 ASN N N 121.609 0.5 1 358 38 38 THR H H 7.864 0.04 1 359 38 38 THR HA H 4.722 0.04 1 360 38 38 THR HB H 4.605 0.04 1 361 38 38 THR HG2 H 1.162 0.04 1 362 38 38 THR C C 174.599 0.5 1 363 38 38 THR CA C 59.442 0.5 1 364 38 38 THR CB C 72.426 0.5 1 365 38 38 THR N N 109.160 0.5 1 366 39 39 SER H H 9.437 0.04 1 367 39 39 SER HA H 3.944 0.04 1 368 39 39 SER HB2 H 3.794 0.04 2 369 39 39 SER HB3 H 3.794 0.04 2 370 39 39 SER C C 176.700 0.5 1 371 39 39 SER CA C 61.770 0.5 1 372 39 39 SER N N 118.576 0.5 1 373 40 40 GLU H H 8.801 0.04 1 374 40 40 GLU HA H 4.046 0.04 1 375 40 40 GLU HB2 H 2.071 0.04 2 376 40 40 GLU HB3 H 2.071 0.04 2 377 40 40 GLU HG2 H 2.394 0.04 2 378 40 40 GLU HG3 H 2.394 0.04 2 379 40 40 GLU C C 178.706 0.5 1 380 40 40 GLU CA C 59.924 0.5 1 381 40 40 GLU CB C 28.905 0.5 1 382 40 40 GLU CG C 36.674 0.5 1 383 40 40 GLU N N 122.178 0.5 1 384 41 41 GLN H H 7.711 0.04 1 385 41 41 GLN HA H 4.093 0.04 1 386 41 41 GLN HB2 H 2.487 0.04 2 387 41 41 GLN HB3 H 2.069 0.04 2 388 41 41 GLN HG2 H 2.498 0.04 2 389 41 41 GLN HG3 H 2.498 0.04 2 390 41 41 GLN C C 179.320 0.5 1 391 41 41 GLN CA C 58.875 0.5 1 392 41 41 GLN CB C 29.793 0.5 1 393 41 41 GLN CG C 34.659 0.5 1 394 41 41 GLN N N 117.813 0.5 1 395 42 42 ILE H H 7.277 0.04 1 396 42 42 ILE HA H 3.707 0.04 1 397 42 42 ILE HB H 2.079 0.04 1 398 42 42 ILE HD1 H 0.811 0.04 1 399 42 42 ILE HG12 H 1.829 0.04 2 400 42 42 ILE HG13 H 0.884 0.04 2 401 42 42 ILE HG2 H 0.904 0.04 1 402 42 42 ILE C C 176.528 0.5 1 403 42 42 ILE CA C 65.516 0.5 1 404 42 42 ILE CB C 37.671 0.5 1 405 42 42 ILE CD1 C 14.822 0.5 1 406 42 42 ILE CG1 C 29.361 0.5 1 407 42 42 ILE CG2 C 16.623 0.5 1 408 42 42 ILE N N 117.639 0.5 1 409 43 43 VAL H H 7.753 0.04 1 410 43 43 VAL HA H 3.629 0.04 1 411 43 43 VAL HB H 2.082 0.04 1 412 43 43 VAL HG1 H 1.090 0.04 2 413 43 43 VAL HG2 H 0.987 0.04 2 414 43 43 VAL C C 178.374 0.5 1 415 43 43 VAL CA C 66.905 0.5 1 416 43 43 VAL CB C 32.078 0.5 1 417 43 43 VAL CG1 C 22.194 0.5 2 418 43 43 VAL CG2 C 21.224 0.5 2 419 43 43 VAL N N 119.198 0.5 1 420 44 44 SER H H 8.400 0.04 1 421 44 44 SER HA H 4.097 0.04 1 422 44 44 SER HB2 H 3.957 0.04 2 423 44 44 SER HB3 H 3.957 0.04 2 424 44 44 SER C C 176.490 0.5 1 425 44 44 SER CA C 61.779 0.5 1 426 44 44 SER CB C 62.933 0.5 1 427 44 44 SER N N 112.696 0.5 1 428 45 45 TYR H H 7.562 0.04 1 429 45 45 TYR HA H 4.252 0.04 1 430 45 45 TYR HB2 H 3.303 0.04 2 431 45 45 TYR HB3 H 3.071 0.04 2 432 45 45 TYR HD1 H 6.996 0.04 3 433 45 45 TYR HD2 H 6.996 0.04 3 434 45 45 TYR HE1 H 6.786 0.04 3 435 45 45 TYR HE2 H 6.786 0.04 3 436 45 45 TYR C C 178.573 0.5 1 437 45 45 TYR CA C 61.526 0.5 1 438 45 45 TYR CB C 38.946 0.5 1 439 45 45 TYR CD1 C 132.913 0.5 3 440 45 45 TYR N N 121.208 0.5 1 441 46 46 VAL H H 8.378 0.04 1 442 46 46 VAL HA H 3.491 0.04 1 443 46 46 VAL HB H 2.255 0.04 1 444 46 46 VAL HG1 H 1.022 0.04 2 445 46 46 VAL HG2 H 1.234 0.04 2 446 46 46 VAL C C 177.201 0.5 1 447 46 46 VAL CA C 65.961 0.5 1 448 46 46 VAL CB C 31.725 0.5 1 449 46 46 VAL CG1 C 22.580 0.5 2 450 46 46 VAL CG2 C 21.977 0.5 2 451 46 46 VAL N N 115.313 0.5 1 452 47 47 ARG H H 8.047 0.04 1 453 47 47 ARG N N 117.074 0.5 1 454 49 49 LYS H H 7.306 0.04 1 455 49 49 LYS HA H 4.449 0.04 1 456 49 49 LYS HB2 H 2.094 0.04 2 457 49 49 LYS HD2 H 1.389 0.04 2 458 49 49 LYS HD3 H 1.389 0.04 2 459 49 49 LYS HG2 H 1.311 0.04 2 460 49 49 LYS HG3 H 1.311 0.04 2 461 49 49 LYS C C 173.798 0.5 1 462 49 49 LYS CA C 53.903 0.5 1 463 49 49 LYS CB C 32.920 0.5 1 464 49 49 LYS CD C 27.678 0.5 1 465 49 49 LYS CG C 24.565 0.5 1 466 49 49 LYS N N 121.073 0.5 1 467 50 50 GLN H H 8.603 0.04 1 468 50 50 GLN HA H 4.581 0.04 1 469 50 50 GLN HB2 H 2.050 0.04 2 470 50 50 GLN HB3 H 1.844 0.04 2 471 50 50 GLN HG2 H 2.341 0.04 2 472 50 50 GLN HG3 H 2.341 0.04 2 473 50 50 GLN C C 175.684 0.5 1 474 50 50 GLN CA C 53.705 0.5 1 475 50 50 GLN CB C 32.090 0.5 1 476 50 50 GLN CG C 33.921 0.5 1 477 50 50 GLN N N 116.180 0.5 1 478 51 51 ALA H H 8.719 0.04 1 479 51 51 ALA HA H 3.629 0.04 1 480 51 51 ALA HB H 1.388 0.04 1 481 51 51 ALA C C 178.476 0.5 1 482 51 51 ALA CA C 53.778 0.5 1 483 51 51 ALA CB C 17.941 0.5 1 484 51 51 ALA N N 122.390 0.5 1 485 52 52 GLY H H 8.694 0.04 1 486 52 52 GLY HA2 H 4.455 0.04 2 487 52 52 GLY HA3 H 3.466 0.04 2 488 52 52 GLY C C 174.437 0.5 1 489 52 52 GLY CA C 45.118 0.5 1 490 52 52 GLY N N 111.981 0.5 1 491 53 53 ASP H H 8.062 0.04 1 492 53 53 ASP HA H 4.639 0.04 1 493 53 53 ASP HB2 H 2.958 0.04 2 494 53 53 ASP HB3 H 2.568 0.04 2 495 53 53 ASP C C 174.897 0.5 1 496 53 53 ASP CA C 55.349 0.5 1 497 53 53 ASP CB C 41.278 0.5 1 498 53 53 ASP N N 121.857 0.5 1 499 54 54 ARG H H 8.508 0.04 1 500 54 54 ARG HA H 5.247 0.04 1 501 54 54 ARG HB2 H 1.688 0.04 2 502 54 54 ARG HB3 H 1.688 0.04 2 503 54 54 ARG HD2 H 3.186 0.04 2 504 54 54 ARG HD3 H 3.186 0.04 2 505 54 54 ARG HG2 H 1.672 0.04 2 506 54 54 ARG HG3 H 1.672 0.04 2 507 54 54 ARG C C 176.875 0.5 1 508 54 54 ARG CA C 54.901 0.5 1 509 54 54 ARG CB C 32.232 0.5 1 510 54 54 ARG CD C 43.449 0.5 1 511 54 54 ARG CG C 28.288 0.5 1 512 54 54 ARG N N 120.102 0.5 1 513 55 55 VAL H H 9.038 0.04 1 514 55 55 VAL HA H 5.057 0.04 1 515 55 55 VAL HB H 2.003 0.04 1 516 55 55 VAL HG1 H 1.004 0.04 2 517 55 55 VAL HG2 H 0.861 0.04 2 518 55 55 VAL C C 174.003 0.5 1 519 55 55 VAL CA C 59.009 0.5 1 520 55 55 VAL CB C 35.352 0.5 1 521 55 55 VAL CG1 C 22.062 0.5 2 522 55 55 VAL CG2 C 19.895 0.5 2 523 55 55 VAL N N 117.345 0.5 1 524 56 56 ARG H H 9.230 0.04 1 525 56 56 ARG HA H 5.023 0.04 1 526 56 56 ARG HB2 H 1.871 0.04 2 527 56 56 ARG HB3 H 1.871 0.04 2 528 56 56 ARG HD2 H 3.209 0.04 2 529 56 56 ARG HD3 H 3.209 0.04 2 530 56 56 ARG HG2 H 1.502 0.04 2 531 56 56 ARG HG3 H 1.502 0.04 2 532 56 56 ARG C C 176.151 0.5 1 533 56 56 ARG CA C 55.038 0.5 1 534 56 56 ARG CB C 31.512 0.5 1 535 56 56 ARG CD C 43.385 0.5 1 536 56 56 ARG CG C 27.885 0.5 1 537 56 56 ARG N N 124.516 0.5 1 538 57 57 VAL H H 9.636 0.04 1 539 57 57 VAL HA H 4.629 0.04 1 540 57 57 VAL HB H 2.180 0.04 1 541 57 57 VAL HG1 H 0.997 0.04 2 542 57 57 VAL C C 174.711 0.5 1 543 57 57 VAL CA C 61.767 0.5 1 544 57 57 VAL CB C 33.988 0.5 1 545 57 57 VAL CG1 C 22.005 0.5 2 546 57 57 VAL N N 128.969 0.5 1 547 58 58 THR H H 8.915 0.04 1 548 58 58 THR HA H 5.294 0.04 1 549 58 58 THR HB H 3.928 0.04 1 550 58 58 THR HG2 H 1.175 0.04 1 551 58 58 THR C C 174.454 0.5 1 552 58 58 THR CA C 61.954 0.5 1 553 58 58 THR CB C 69.175 0.5 1 554 58 58 THR CG2 C 21.584 0.5 1 555 58 58 THR N N 125.904 0.5 1 556 59 59 PHE H H 9.387 0.04 1 557 59 59 PHE HA H 5.879 0.04 1 558 59 59 PHE HB2 H 2.791 0.04 2 559 59 59 PHE HB3 H 2.619 0.04 2 560 59 59 PHE HD1 H 6.783 0.04 3 561 59 59 PHE HD2 H 6.783 0.04 3 562 59 59 PHE HE1 H 6.871 0.04 3 563 59 59 PHE HE2 H 6.871 0.04 3 564 59 59 PHE C C 171.357 0.5 1 565 59 59 PHE CA C 54.604 0.5 1 566 59 59 PHE CB C 42.959 0.5 1 567 59 59 PHE CD1 C 132.072 0.5 3 568 59 59 PHE CE1 C 131.108 0.5 3 569 59 59 PHE N N 125.503 0.5 1 570 60 60 ILE H H 9.481 0.04 1 571 60 60 ILE HA H 4.954 0.04 1 572 60 60 ILE HB H 1.842 0.04 1 573 60 60 ILE HD1 H 0.705 0.04 1 574 60 60 ILE HG12 H 1.330 0.04 2 575 60 60 ILE HG13 H 1.330 0.04 2 576 60 60 ILE HG2 H 0.778 0.04 1 577 60 60 ILE C C 176.250 0.5 1 578 60 60 ILE CA C 58.935 0.5 1 579 60 60 ILE CB C 39.300 0.5 1 580 60 60 ILE CD1 C 11.693 0.5 1 581 60 60 ILE CG1 C 27.901 0.5 1 582 60 60 ILE CG2 C 17.880 0.5 1 583 60 60 ILE N N 120.570 0.5 1 584 61 61 ARG H H 9.051 0.04 1 585 61 61 ARG HA H 4.801 0.04 1 586 61 61 ARG HB2 H 2.205 0.04 2 587 61 61 ARG HB3 H 1.496 0.04 2 588 61 61 ARG HD2 H 3.350 0.04 2 589 61 61 ARG HD3 H 2.842 0.04 2 590 61 61 ARG HG2 H 1.838 0.04 2 591 61 61 ARG C C 176.083 0.5 1 592 61 61 ARG CA C 55.592 0.5 1 593 61 61 ARG CB C 34.548 0.5 1 594 61 61 ARG CD C 44.044 0.5 1 595 61 61 ARG CG C 25.035 0.5 1 596 61 61 ARG N N 130.529 0.5 1 597 62 62 ASP H H 9.858 0.04 1 598 62 62 ASP HA H 4.381 0.04 1 599 62 62 ASP HB2 H 3.026 0.04 2 600 62 62 ASP HB3 H 2.642 0.04 2 601 62 62 ASP C C 174.757 0.5 1 602 62 62 ASP CA C 56.179 0.5 1 603 62 62 ASP CB C 39.670 0.5 1 604 62 62 ASP N N 131.709 0.5 1 605 63 63 ARG H H 8.668 0.04 1 606 63 63 ARG HA H 3.651 0.04 1 607 63 63 ARG HB2 H 2.125 0.04 2 608 63 63 ARG HB3 H 1.611 0.04 2 609 63 63 ARG HD2 H 3.242 0.04 2 610 63 63 ARG HD3 H 3.242 0.04 2 611 63 63 ARG C C 174.954 0.5 1 612 63 63 ARG CA C 58.243 0.5 1 613 63 63 ARG CB C 28.035 0.5 1 614 63 63 ARG CD C 43.573 0.5 1 615 63 63 ARG N N 107.617 0.5 1 616 64 64 LYS H H 7.946 0.04 1 617 64 64 LYS HA H 4.600 0.04 1 618 64 64 LYS HB2 H 1.763 0.04 2 619 64 64 LYS HB3 H 1.763 0.04 2 620 64 64 LYS HD2 H 1.706 0.04 2 621 64 64 LYS HD3 H 1.706 0.04 2 622 64 64 LYS HE2 H 3.010 0.04 2 623 64 64 LYS HE3 H 3.010 0.04 2 624 64 64 LYS HG2 H 1.384 0.04 2 625 64 64 LYS HG3 H 1.384 0.04 2 626 64 64 LYS C C 174.428 0.5 1 627 64 64 LYS CA C 54.919 0.5 1 628 64 64 LYS CB C 35.170 0.5 1 629 64 64 LYS CD C 28.867 0.5 1 630 64 64 LYS CE C 42.362 0.5 1 631 64 64 LYS CG C 24.629 0.5 1 632 64 64 LYS N N 121.272 0.5 1 633 65 65 GLN H H 8.493 0.04 1 634 65 65 GLN HA H 4.623 0.04 1 635 65 65 GLN HB2 H 1.805 0.04 2 636 65 65 GLN HB3 H 1.805 0.04 2 637 65 65 GLN HG2 H 2.002 0.04 2 638 65 65 GLN HG3 H 2.002 0.04 2 639 65 65 GLN C C 174.630 0.5 1 640 65 65 GLN CA C 56.004 0.5 1 641 65 65 GLN CB C 30.298 0.5 1 642 65 65 GLN CG C 35.159 0.5 1 643 65 65 GLN N N 123.731 0.5 1 644 66 66 HIS H H 9.113 0.04 1 645 66 66 HIS HA H 4.547 0.04 1 646 66 66 HIS HB2 H 2.440 0.04 2 647 66 66 HIS HB3 H 0.962 0.04 2 648 66 66 HIS HD2 H 6.715 0.04 1 649 66 66 HIS C C 172.896 0.5 1 650 66 66 HIS CA C 54.399 0.5 1 651 66 66 HIS CB C 34.482 0.5 1 652 66 66 HIS CD2 C 120.500 0.5 1 653 66 66 HIS N N 125.388 0.5 1 654 67 67 GLU H H 8.296 0.04 1 655 67 67 GLU HA H 5.563 0.04 1 656 67 67 GLU HB2 H 1.863 0.04 2 657 67 67 GLU HB3 H 1.863 0.04 2 658 67 67 GLU HG2 H 2.138 0.04 2 659 67 67 GLU HG3 H 2.138 0.04 2 660 67 67 GLU C C 176.041 0.5 1 661 67 67 GLU CA C 54.720 0.5 1 662 67 67 GLU CB C 33.457 0.5 1 663 67 67 GLU CG C 36.648 0.5 1 664 67 67 GLU N N 117.528 0.5 1 665 68 68 ALA H H 9.160 0.04 1 666 68 68 ALA HA H 4.888 0.04 1 667 68 68 ALA HB H 1.412 0.04 1 668 68 68 ALA C C 175.059 0.5 1 669 68 68 ALA CA C 51.081 0.5 1 670 68 68 ALA CB C 22.460 0.5 1 671 68 68 ALA N N 124.729 0.5 1 672 69 69 GLU H H 8.809 0.04 1 673 69 69 GLU HA H 5.172 0.04 1 674 69 69 GLU HB2 H 1.970 0.04 2 675 69 69 GLU HB3 H 1.970 0.04 2 676 69 69 GLU HG2 H 2.133 0.04 2 677 69 69 GLU HG3 H 2.133 0.04 2 678 69 69 GLU C C 174.991 0.5 1 679 69 69 GLU CA C 55.422 0.5 1 680 69 69 GLU CB C 31.144 0.5 1 681 69 69 GLU CG C 37.654 0.5 1 682 69 69 GLU N N 123.590 0.5 1 683 70 70 LEU H H 9.124 0.04 1 684 70 70 LEU HA H 4.852 0.04 1 685 70 70 LEU HB2 H 1.459 0.04 2 686 70 70 LEU HB3 H 1.282 0.04 2 687 70 70 LEU C C 174.757 0.5 1 688 70 70 LEU CA C 53.319 0.5 1 689 70 70 LEU CB C 44.702 0.5 1 690 70 70 LEU N N 126.591 0.5 1 691 71 71 VAL H H 8.277 0.04 1 692 71 71 VAL HA H 4.443 0.04 1 693 71 71 VAL HB H 1.931 0.04 1 694 71 71 VAL HG1 H 0.895 0.04 2 695 71 71 VAL C C 175.847 0.5 1 696 71 71 VAL CA C 61.302 0.5 1 697 71 71 VAL CB C 32.562 0.5 1 698 71 71 VAL CG1 C 21.129 0.5 2 699 71 71 VAL N N 121.541 0.5 1 700 72 72 LEU H H 8.621 0.04 1 701 72 72 LEU HA H 4.043 0.04 1 702 72 72 LEU HB2 H 1.934 0.04 2 703 72 72 LEU HB3 H 1.067 0.04 2 704 72 72 LEU HD1 H 0.623 0.04 2 705 72 72 LEU HG H 0.816 0.04 1 706 72 72 LEU C C 177.010 0.5 1 707 72 72 LEU CA C 55.771 0.5 1 708 72 72 LEU CB C 42.111 0.5 1 709 72 72 LEU CD1 C 23.223 0.5 2 710 72 72 LEU CG C 27.022 0.5 1 711 72 72 LEU N N 123.721 0.5 1 712 73 73 LYS H H 7.582 0.04 1 713 73 73 LYS HA H 4.877 0.04 1 714 73 73 LYS HB2 H 1.828 0.04 2 715 73 73 LYS HB3 H 1.694 0.04 2 716 73 73 LYS C C 172.099 0.5 1 717 73 73 LYS CA C 53.415 0.5 1 718 73 73 LYS CB C 36.407 0.5 1 719 73 73 LYS N N 120.485 0.5 1 720 74 74 PRO HA H 5.273 0.04 1 721 74 74 PRO HB2 H 2.451 0.04 2 722 74 74 PRO HB3 H 1.870 0.04 2 723 74 74 PRO HD2 H 3.632 0.04 2 724 74 74 PRO HD3 H 3.632 0.04 2 725 74 74 PRO HG2 H 2.063 0.04 2 726 74 74 PRO C C 176.785 0.5 1 727 74 74 PRO CA C 61.547 0.5 1 728 74 74 PRO CB C 31.984 0.5 1 729 74 74 PRO CD C 51.380 0.5 1 730 74 74 PRO CG C 27.597 0.5 1 731 75 75 PHE H H 8.135 0.04 1 732 75 75 PHE HA H 4.755 0.04 1 733 75 75 PHE HB2 H 3.209 0.04 2 734 75 75 PHE HB3 H 3.015 0.04 2 735 75 75 PHE HD1 H 7.402 0.04 3 736 75 75 PHE HD2 H 7.402 0.04 3 737 75 75 PHE HE1 H 7.196 0.04 3 738 75 75 PHE HE2 H 7.196 0.04 3 739 75 75 PHE C C 176.184 0.5 1 740 75 75 PHE CA C 56.904 0.5 1 741 75 75 PHE CB C 39.053 0.5 1 742 75 75 PHE CD1 C 132.319 0.5 3 743 75 75 PHE N N 121.675 0.5 1 744 76 76 PRO C C 177.857 0.5 1 745 77 77 HIS H H 8.547 0.04 1 746 77 77 HIS HA H 4.545 0.04 1 747 77 77 HIS HB2 H 3.155 0.04 2 748 77 77 HIS HB3 H 3.155 0.04 2 749 77 77 HIS C C 174.435 0.5 1 750 77 77 HIS CA C 56.204 0.5 1 751 77 77 HIS CB C 29.010 0.5 1 752 77 77 HIS N N 113.170 0.5 1 753 78 78 HIS H H 7.444 0.04 1 754 78 78 HIS HA H 5.085 0.04 1 755 78 78 HIS HB2 H 3.133 0.04 2 756 78 78 HIS HB3 H 3.133 0.04 2 757 78 78 HIS C C 172.040 0.5 1 758 78 78 HIS CA C 53.824 0.5 1 759 78 78 HIS CB C 30.623 0.5 1 760 78 78 HIS N N 116.822 0.5 1 761 79 79 PRO HA H 4.493 0.04 1 762 79 79 PRO HB2 H 2.344 0.04 2 763 79 79 PRO HB3 H 1.978 0.04 2 764 79 79 PRO HD2 H 3.697 0.04 2 765 79 79 PRO HD3 H 3.407 0.04 2 766 79 79 PRO HG2 H 1.976 0.04 2 767 79 79 PRO HG3 H 1.976 0.04 2 768 79 79 PRO C C 176.404 0.5 1 769 79 79 PRO CA C 64.768 0.5 1 770 79 79 PRO CB C 32.176 0.5 1 771 79 79 PRO CD C 50.334 0.5 1 772 79 79 PRO CG C 27.101 0.5 1 773 80 80 ASN H H 8.515 0.04 1 774 80 80 ASN HA H 4.790 0.04 1 775 80 80 ASN HB2 H 2.919 0.04 2 776 80 80 ASN HB3 H 2.919 0.04 2 777 80 80 ASN C C 174.492 0.5 1 778 80 80 ASN CA C 53.294 0.5 1 779 80 80 ASN CB C 38.383 0.5 1 780 80 80 ASN N N 114.037 0.5 1 781 81 81 GLN H H 8.369 0.04 1 782 81 81 GLN HA H 4.668 0.04 1 783 81 81 GLN HB2 H 2.167 0.04 2 784 81 81 GLN HG2 H 2.223 0.04 2 785 81 81 GLN HG3 H 2.223 0.04 2 786 81 81 GLN C C 173.563 0.5 1 787 81 81 GLN CA C 54.950 0.5 1 788 81 81 GLN CB C 30.691 0.5 1 789 81 81 GLN CG C 33.873 0.5 1 790 81 81 GLN N N 122.498 0.5 1 791 82 82 ILE HA H 4.649 0.04 1 792 82 82 ILE HB H 1.713 0.04 1 793 82 82 ILE HD1 H 0.585 0.04 1 794 82 82 ILE HG12 H 1.316 0.04 1 795 82 82 ILE HG13 H 1.316 0.04 1 796 82 82 ILE HG2 H 0.599 0.04 1 797 82 82 ILE C C 176.221 0.5 1 798 82 82 ILE CA C 58.593 0.5 1 799 82 82 ILE CB C 39.189 0.5 1 800 82 82 ILE CD1 C 12.046 0.5 1 801 82 82 ILE CG1 C 26.056 0.5 1 802 82 82 ILE CG2 C 18.468 0.5 1 803 83 83 GLY H H 7.971 0.04 1 804 83 83 GLY HA2 H 4.143 0.04 2 805 83 83 GLY HA3 H 4.056 0.04 2 806 83 83 GLY CA C 46.447 0.5 1 807 83 83 GLY N N 106.440 0.5 1 808 84 84 LEU HA H 4.263 0.04 1 809 84 84 LEU HB2 H 1.981 0.04 2 810 84 84 LEU HB3 H 1.981 0.04 2 811 84 84 LEU C C 177.910 0.5 1 812 84 84 LEU CA C 58.001 0.5 1 813 84 84 LEU CB C 43.547 0.5 1 814 85 85 GLY H H 7.359 0.04 1 815 85 85 GLY HA2 H 4.253 0.04 2 816 85 85 GLY HA3 H 3.786 0.04 2 817 85 85 GLY CA C 45.131 0.5 1 818 85 85 GLY N N 104.324 0.5 1 819 86 86 VAL HA H 5.226 0.04 1 820 86 86 VAL HB H 2.214 0.04 1 821 86 86 VAL HG1 H 0.728 0.04 2 822 86 86 VAL HG2 H 0.708 0.04 2 823 86 86 VAL C C 174.897 0.5 1 824 86 86 VAL CA C 58.541 0.5 1 825 86 86 VAL CB C 35.247 0.5 1 826 86 86 VAL CG1 C 23.065 0.5 2 827 86 86 VAL CG2 C 18.660 0.5 2 828 87 87 THR H H 8.475 0.04 1 829 87 87 THR HA H 4.797 0.04 1 830 87 87 THR HB H 4.172 0.04 1 831 87 87 THR HG2 H 1.145 0.04 1 832 87 87 THR C C 174.248 0.5 1 833 87 87 THR CA C 61.160 0.5 1 834 87 87 THR CB C 69.983 0.5 1 835 87 87 THR N N 115.252 0.5 1 stop_ save_ save_PEG_RDC _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $PEG 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 DNH 3 GLU N 3 GLU H 1.434 $NMRDraw ? ? . . DNH 4 ALA N 4 ALA H 3.53 $NMRDraw ? ? . . DNH 5 LYS N 5 LYS H 3.206 $NMRDraw ? ? . . DNH 6 GLY N 6 GLY H 3.78 $NMRDraw ? ? . . DNH 9 VAL N 9 VAL H 2.13 $NMRDraw ? ? . . DNH 10 MET N 10 MET H -6.154 $NMRDraw ? ? . . DNH 12 VAL N 12 VAL H 5.212 $NMRDraw ? ? . . DNH 13 LEU N 13 LEU H 10.08 $NMRDraw ? ? . . DNH 16 MET N 16 MET H -9.798 $NMRDraw ? ? . . DNH 18 ALA N 18 ALA H 5.744 $NMRDraw ? ? . . DNH 19 ALA N 19 ALA H -11.612 $NMRDraw ? ? . . DNH 20 GLY N 20 GLY H -5.574 $NMRDraw ? ? . . DNH 21 ARG N 21 ARG H 1.878 $NMRDraw ? ? . . DNH 22 LEU N 22 LEU H -7.2 $NMRDraw ? ? . . DNH 23 GLU N 23 GLU H 3.462 $NMRDraw ? ? . . DNH 24 ALA N 24 ALA H 5.212 $NMRDraw ? ? . . DNH 25 GLY N 25 GLY H -0.512 $NMRDraw ? ? . . DNH 27 ARG N 27 ARG H 1.278 $NMRDraw ? ? . . DNH 29 ALA N 29 ALA H 1.426 $NMRDraw ? ? . . DNH 30 ALA N 30 ALA H 9.258 $NMRDraw ? ? . . DNH 31 ILE N 31 ILE H 8.692 $NMRDraw ? ? . . DNH 32 ASP N 32 ASP H 8.762 $NMRDraw ? ? . . DNH 33 GLY N 33 GLY H 6.13 $NMRDraw ? ? . . DNH 34 GLN N 34 GLN H -2.19 $NMRDraw ? ? . . DNH 36 ILE N 36 ILE H 3.482 $NMRDraw ? ? . . DNH 37 ASN N 37 ASN H -8.696 $NMRDraw ? ? . . DNH 38 THR N 38 THR H -4.908 $NMRDraw ? ? . . DNH 40 GLU N 40 GLU H -12.842 $NMRDraw ? ? . . DNH 41 GLN N 41 GLN H -15.386 $NMRDraw ? ? . . DNH 42 ILE N 42 ILE H -6.37 $NMRDraw ? ? . . DNH 43 VAL N 43 VAL H -10.81 $NMRDraw ? ? . . DNH 44 SER N 44 SER H -16.788 $NMRDraw ? ? . . DNH 45 TYR N 45 TYR H -13.548 $NMRDraw ? ? . . DNH 46 VAL N 46 VAL H -11.622 $NMRDraw ? ? . . DNH 50 GLN N 50 GLN H 6.62 $NMRDraw ? ? . . DNH 51 ALA N 51 ALA H -2.272 $NMRDraw ? ? . . DNH 52 GLY N 52 GLY H -6.318 $NMRDraw ? ? . . DNH 53 ASP N 53 ASP H 6.454 $NMRDraw ? ? . . DNH 55 VAL N 55 VAL H 11.422 $NMRDraw ? ? . . DNH 56 ARG N 56 ARG H 7.164 $NMRDraw ? ? . . DNH 57 VAL N 57 VAL H 4.152 $NMRDraw ? ? . . DNH 58 THR N 58 THR H 6.372 $NMRDraw ? ? . . DNH 59 PHE N 59 PHE H 5.478 $NMRDraw ? ? . . DNH 60 ILE N 60 ILE H 4.654 $NMRDraw ? ? . . DNH 61 ARG N 61 ARG H 9.004 $NMRDraw ? ? . . DNH 62 ASP N 62 ASP H 7.718 $NMRDraw ? ? . . DNH 63 ARG N 63 ARG H 4.18 $NMRDraw ? ? . . DNH 64 LYS N 64 LYS H 6.87 $NMRDraw ? ? . . DNH 65 GLN N 65 GLN H 1.546 $NMRDraw ? ? . . DNH 67 GLU N 67 GLU H 6.674 $NMRDraw ? ? . . DNH 68 ALA N 68 ALA H 4.642 $NMRDraw ? ? . . DNH 69 GLU N 69 GLU H 4.59 $NMRDraw ? ? . . DNH 70 LEU N 70 LEU H 9.758 $NMRDraw ? ? . . DNH 71 VAL N 71 VAL H 9.144 $NMRDraw ? ? . . DNH 72 LEU N 72 LEU H 9.928 $NMRDraw ? ? . . DNH 73 LYS N 73 LYS H -13.07 $NMRDraw ? ? . . DNH 75 PHE N 75 PHE H 6.568 $NMRDraw ? ? . . DNH 80 ASN N 80 ASN H 7.758 $NMRDraw ? ? . . DNH 81 GLN N 81 GLN H 7.504 $NMRDraw ? ? . . DNH 83 GLY N 83 GLY H 0.252 $NMRDraw ? ? . . DNH 85 GLY N 85 GLY H -12.408 $NMRDraw ? ? . . DNH 87 THR N 87 THR H -0.302 $NMRDraw ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_ save_GEL_RDC _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $GEL 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 DNH 3 GLU N 3 GLU H -0.538 $NMRDraw ? ? . . DNH 4 ALA N 4 ALA H -1.382 $NMRDraw ? ? . . DNH 5 LYS N 5 LYS H -1.762 $NMRDraw ? ? . . DNH 6 GLY N 6 GLY H -4.656 $NMRDraw ? ? . . DNH 8 TYR N 8 TYR H 3.878 $NMRDraw ? ? . . DNH 10 MET N 10 MET H -2.344 $NMRDraw ? ? . . DNH 11 SER N 11 SER H -12.2 $NMRDraw ? ? . . DNH 12 VAL N 12 VAL H -9.048 $NMRDraw ? ? . . DNH 13 LEU N 13 LEU H -6.434 $NMRDraw ? ? . . DNH 16 MET N 16 MET H -1.818 $NMRDraw ? ? . . DNH 18 ALA N 18 ALA H 3.832 $NMRDraw ? ? . . DNH 19 ALA N 19 ALA H 2.968 $NMRDraw ? ? . . DNH 20 GLY N 20 GLY H -3.084 $NMRDraw ? ? . . DNH 21 ARG N 21 ARG H 2.228 $NMRDraw ? ? . . DNH 22 LEU N 22 LEU H 5.514 $NMRDraw ? ? . . DNH 23 GLU N 23 GLU H 2.614 $NMRDraw ? ? . . DNH 24 ALA N 24 ALA H -0.094 $NMRDraw ? ? . . DNH 25 GLY N 25 GLY H 0.19 $NMRDraw ? ? . . DNH 28 ILE N 28 ILE H 0.722 $NMRDraw ? ? . . DNH 29 ALA N 29 ALA H -0.188 $NMRDraw ? ? . . DNH 30 ALA N 30 ALA H -1.85 $NMRDraw ? ? . . DNH 31 ILE N 31 ILE H -0.772 $NMRDraw ? ? . . DNH 32 ASP N 32 ASP H -4.182 $NMRDraw ? ? . . DNH 33 GLY N 33 GLY H -8.732 $NMRDraw ? ? . . DNH 34 GLN N 34 GLN H 3.716 $NMRDraw ? ? . . DNH 36 ILE N 36 ILE H 0.148 $NMRDraw ? ? . . DNH 37 ASN N 37 ASN H -4.19 $NMRDraw ? ? . . DNH 38 THR N 38 THR H -3.82 $NMRDraw ? ? . . DNH 40 GLU N 40 GLU H 3.048 $NMRDraw ? ? . . DNH 41 GLN N 41 GLN H 0.236 $NMRDraw ? ? . . DNH 42 ILE N 42 ILE H -4.918 $NMRDraw ? ? . . DNH 43 VAL N 43 VAL H 2.97 $NMRDraw ? ? . . DNH 44 SER N 44 SER H 3.614 $NMRDraw ? ? . . DNH 45 TYR N 45 TYR H -1.026 $NMRDraw ? ? . . DNH 46 VAL N 46 VAL H -3.134 $NMRDraw ? ? . . DNH 51 ALA N 51 ALA H 3.056 $NMRDraw ? ? . . DNH 52 GLY N 52 GLY H -6.75 $NMRDraw ? ? . . DNH 53 ASP N 53 ASP H 1.15 $NMRDraw ? ? . . DNH 55 VAL N 55 VAL H -5.19 $NMRDraw ? ? . . DNH 56 ARG N 56 ARG H -7.306 $NMRDraw ? ? . . DNH 57 VAL N 57 VAL H 0.908 $NMRDraw ? ? . . DNH 58 THR N 58 THR H 0.03 $NMRDraw ? ? . . DNH 59 PHE N 59 PHE H 2.208 $NMRDraw ? ? . . DNH 60 ILE N 60 ILE H 1.434 $NMRDraw ? ? . . DNH 61 ARG N 61 ARG H -0.022 $NMRDraw ? ? . . DNH 62 ASP N 62 ASP H 2.378 $NMRDraw ? ? . . DNH 63 ARG N 63 ARG H 2.616 $NMRDraw ? ? . . DNH 64 LYS N 64 LYS H -1.272 $NMRDraw ? ? . . DNH 65 GLN N 65 GLN H 4.904 $NMRDraw ? ? . . DNH 66 HIS N 66 HIS H 1.584 $NMRDraw ? ? . . DNH 67 GLU N 67 GLU H 2.174 $NMRDraw ? ? . . DNH 68 ALA N 68 ALA H -0.184 $NMRDraw ? ? . . DNH 69 GLU N 69 GLU H -2.416 $NMRDraw ? ? . . DNH 70 LEU N 70 LEU H -0.1 $NMRDraw ? ? . . DNH 71 VAL N 71 VAL H -7.898 $NMRDraw ? ? . . DNH 72 LEU N 72 LEU H -5.66 $NMRDraw ? ? . . DNH 73 LYS N 73 LYS H 0.916 $NMRDraw ? ? . . DNH 75 PHE N 75 PHE H -3.12 $NMRDraw ? ? . . DNH 78 HIS N 78 HIS H 2.054 $NMRDraw ? ? . . DNH 80 ASN N 80 ASN H -0.788 $NMRDraw ? ? . . DNH 81 GLN N 81 GLN H -1.972 $NMRDraw ? ? . . DNH 83 GLY N 83 GLY H 5.17 $NMRDraw ? ? . . DNH 87 THR N 87 THR H -4.49 $NMRDraw ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_