data_50020 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites and helps understanding the consequences of autoimmunity against type VII collagen ; _BMRB_accession_number 50020 _BMRB_flat_file_name bmr50020.str _Entry_type original _Submission_date 2019-09-23 _Accession_date 2019-09-23 _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 Gebauer Jan M. . 2 Flachsenberg Florian . . 3 Windler Cordula . . 4 Richer Barbara . . 5 Baumann Ulrich . . 6 Seeger Karsten . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 2 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 140 "T2 relaxation values" 140 "residual dipolar couplings" 288 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-08 update BMRB 'update entry citation' 2020-02-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17549 'chemical shift assignment of the vWFA2 domain' stop_ _Original_release_date 2019-09-23 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32031736 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gebauer Jan M. . 2 Flachsenberg Florian . . 3 Windler Cordula . . 4 Richer Barbara . . 5 Baumann Ulrich . . 6 Seeger Karsten . . stop_ _Journal_abbreviation 'FEBS Open Bio.' _Journal_volume 10 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 580 _Page_last 592 _Year 2020 _Details . loop_ _Keyword NMR interactions 'skin structure' 'type VII collagen' vWFA2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'mvWFA2 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mvWFA2 $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'skin stability' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 196 _Mol_residue_sequence ; GRAMGACSHGPVDVVFLLHA TRDNAHNAEAVRRVLERLVS ALGPLGPQAAQVGLLTYSHR PSPLFPLNSSHDLGIILRKI RDIPYVDPSGNNLGTAVTTA HRYLLASNAPGRRQQVPGVM VLLVDEPLRGDILSPIREAQ TSGLKVMALSLVGADPEQLR RLAPGTDPIQNFFAVDNGPG LDRAVSDLAVALCQAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ARG 3 -2 ALA 4 -1 MET 5 0 GLY 6 1048 ALA 7 1049 CYS 8 1050 SER 9 1051 HIS 10 1052 GLY 11 1053 PRO 12 1054 VAL 13 1055 ASP 14 1056 VAL 15 1057 VAL 16 1058 PHE 17 1059 LEU 18 1060 LEU 19 1061 HIS 20 1062 ALA 21 1063 THR 22 1064 ARG 23 1065 ASP 24 1066 ASN 25 1067 ALA 26 1068 HIS 27 1069 ASN 28 1070 ALA 29 1071 GLU 30 1072 ALA 31 1073 VAL 32 1074 ARG 33 1075 ARG 34 1076 VAL 35 1077 LEU 36 1078 GLU 37 1079 ARG 38 1080 LEU 39 1081 VAL 40 1082 SER 41 1083 ALA 42 1084 LEU 43 1085 GLY 44 1086 PRO 45 1087 LEU 46 1088 GLY 47 1089 PRO 48 1090 GLN 49 1091 ALA 50 1092 ALA 51 1093 GLN 52 1094 VAL 53 1095 GLY 54 1096 LEU 55 1097 LEU 56 1098 THR 57 1099 TYR 58 1100 SER 59 1101 HIS 60 1102 ARG 61 1103 PRO 62 1104 SER 63 1105 PRO 64 1106 LEU 65 1107 PHE 66 1108 PRO 67 1109 LEU 68 1110 ASN 69 1111 SER 70 1112 SER 71 1113 HIS 72 1114 ASP 73 1115 LEU 74 1116 GLY 75 1117 ILE 76 1118 ILE 77 1119 LEU 78 1120 ARG 79 1121 LYS 80 1122 ILE 81 1123 ARG 82 1124 ASP 83 1125 ILE 84 1126 PRO 85 1127 TYR 86 1128 VAL 87 1129 ASP 88 1130 PRO 89 1131 SER 90 1132 GLY 91 1133 ASN 92 1134 ASN 93 1135 LEU 94 1136 GLY 95 1137 THR 96 1138 ALA 97 1139 VAL 98 1140 THR 99 1141 THR 100 1142 ALA 101 1143 HIS 102 1144 ARG 103 1145 TYR 104 1146 LEU 105 1147 LEU 106 1148 ALA 107 1149 SER 108 1150 ASN 109 1151 ALA 110 1152 PRO 111 1153 GLY 112 1154 ARG 113 1155 ARG 114 1156 GLN 115 1157 GLN 116 1158 VAL 117 1159 PRO 118 1160 GLY 119 1161 VAL 120 1162 MET 121 1163 VAL 122 1164 LEU 123 1165 LEU 124 1166 VAL 125 1167 ASP 126 1168 GLU 127 1169 PRO 128 1170 LEU 129 1171 ARG 130 1172 GLY 131 1173 ASP 132 1174 ILE 133 1175 LEU 134 1176 SER 135 1177 PRO 136 1178 ILE 137 1179 ARG 138 1180 GLU 139 1181 ALA 140 1182 GLN 141 1183 THR 142 1184 SER 143 1185 GLY 144 1186 LEU 145 1187 LYS 146 1188 VAL 147 1189 MET 148 1190 ALA 149 1191 LEU 150 1192 SER 151 1193 LEU 152 1194 VAL 153 1195 GLY 154 1196 ALA 155 1197 ASP 156 1198 PRO 157 1199 GLU 158 1200 GLN 159 1201 LEU 160 1202 ARG 161 1203 ARG 162 1204 LEU 163 1205 ALA 164 1206 PRO 165 1207 GLY 166 1208 THR 167 1209 ASP 168 1210 PRO 169 1211 ILE 170 1212 GLN 171 1213 ASN 172 1214 PHE 173 1215 PHE 174 1216 ALA 175 1217 VAL 176 1218 ASP 177 1219 ASN 178 1220 GLY 179 1221 PRO 180 1222 GLY 181 1223 LEU 182 1224 ASP 183 1225 ARG 184 1226 ALA 185 1227 VAL 186 1228 SER 187 1229 ASP 188 1230 LEU 189 1231 ALA 190 1232 VAL 191 1233 ALA 192 1234 LEU 193 1235 CYS 194 1236 GLN 195 1237 ALA 196 1238 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'expression construct was codon optimized and synthesized' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli ER2566 plasmid pTWIN1 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 $entity_1 1 mM '[U-99% 15N]' 'potassium phosphate' 10 mM 'natural abundance' H2O 90 '% v/v' 'natural abundance' D2O 10 '% v/v' 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1-hexanol concentration is an estimate as the amount of added 1-hexanol is depending on the individual sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.6 mM 0.4 0.8 '[U-100% 15N]' 'sodium phosphate' 10 mM . . 'natural abundance' D2O 10 '% v/v' . . [U-2H] PEG 4.2 '% w/v' . . 'natural abundance' 1-Hexanol 1.5 '% v/v' . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1-hexanol concentration is an estimate as the amount of added 1-hexanol is depending on the individual sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.6 mM 0.4 0.8 '[U-100% 15N]' 'sodium phosphate' 10 mM . . 'natural abundance' D2O 10 '% v/v' . . [U-2H] PEG 4.2 '% w/v' . . 'natural abundance' 1-Hexanol 1.9 '% v/v' . . 'natural abundance' CTAB 0.1 '% w/v' . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-(1H)_NOE_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-(1H) NOE' _Sample_label $sample_1 save_ save_hsqct1etf3gpsi3d_2 _Saveframe_category NMR_applied_experiment _Experiment_name hsqct1etf3gpsi3d _Sample_label $sample_1 save_ save_hsqct2etf3gpsi3d_3 _Saveframe_category NMR_applied_experiment _Experiment_name hsqct2etf3gpsi3d _Sample_label $sample_1 save_ save_hsqcf3gpiaphsiwg_4 _Saveframe_category NMR_applied_experiment _Experiment_name hsqcf3gpiaphsiwg _Sample_label $sample_2 save_ save_hsqcf3gpiaphsiwg_5 _Saveframe_category NMR_applied_experiment _Experiment_name hsqcf3gpiaphsiwg _Sample_label $sample_3 save_ save_hsqcf3gpiaphsiwg_6 _Saveframe_category NMR_applied_experiment _Experiment_name hsqcf3gpiaphsiwg _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_2 $sample_1 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 _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 9 HIS H 9 HIS N -0.688 ? ? . . . DHN 10 GLY H 10 GLY N -0.934 ? ? . . . DHN 12 VAL H 12 VAL N -0.132 ? ? . . . DHN 13 ASP H 13 ASP N -0.049 ? ? . . . DHN 14 VAL H 14 VAL N -3.580 ? ? . . . DHN 15 VAL H 15 VAL N 1.636 ? ? . . . DHN 16 PHE H 16 PHE N -1.185 ? ? . . . DHN 17 LEU H 17 LEU N 2.634 ? ? . . . DHN 18 LEU H 18 LEU N 3.137 ? ? . . . DHN 19 HIS H 19 HIS N 4.441 ? ? . . . DHN 20 ALA H 20 ALA N 4.454 ? ? . . . DHN 21 THR H 21 THR N 8.059 ? ? . . . DHN 22 ARG H 22 ARG N 3.627 ? ? . . . DHN 25 ALA H 25 ALA N -6.891 ? ? . . . DHN 27 ASN H 27 ASN N 1.148 ? ? . . . DHN 28 ALA H 28 ALA N -7.163 ? ? . . . DHN 29 GLU H 29 GLU N -3.273 ? ? . . . DHN 30 ALA H 30 ALA N -6.323 ? ? . . . DHN 31 VAL H 31 VAL N -8.047 ? ? . . . DHN 32 ARG H 32 ARG N -3.913 ? ? . . . DHN 33 ARG H 33 ARG N -5.089 ? ? . . . DHN 34 VAL H 34 VAL N -9.195 ? ? . . . DHN 35 LEU H 35 LEU N -8.293 ? ? . . . DHN 36 GLU H 36 GLU N -1.989 ? ? . . . DHN 37 ARG H 37 ARG N -6.391 ? ? . . . DHN 38 LEU H 38 LEU N -8.746 ? ? . . . DHN 39 VAL H 39 VAL N -3.530 ? ? . . . DHN 40 SER H 40 SER N -2.012 ? ? . . . DHN 41 ALA H 41 ALA N -9.404 ? ? . . . DHN 42 LEU H 42 LEU N -4.828 ? ? . . . DHN 43 GLY H 43 GLY N 2.928 ? ? . . . DHN 45 LEU H 45 LEU N 0.975 ? ? . . . DHN 46 GLY H 46 GLY N -4.833 ? ? . . . DHN 49 ALA H 49 ALA N -0.735 ? ? . . . DHN 50 ALA H 50 ALA N 0.240 ? ? . . . DHN 51 GLN H 51 GLN N -0.124 ? ? . . . DHN 53 GLY H 53 GLY N 2.843 ? ? . . . DHN 54 LEU H 54 LEU N 6.859 ? ? . . . DHN 55 LEU H 55 LEU N 5.778 ? ? . . . DHN 57 TYR H 57 TYR N 10.038 ? ? . . . DHN 60 ARG H 60 ARG N 3.642 ? ? . . . DHN 62 SER H 62 SER N 7.316 ? ? . . . DHN 64 LEU H 64 LEU N 2.450 ? ? . . . DHN 65 PHE H 65 PHE N 2.547 ? ? . . . DHN 68 ASN H 68 ASN N -2.988 ? ? . . . DHN 70 SER H 70 SER N 0.466 ? ? . . . DHN 72 ASP H 72 ASP N -5.890 ? ? . . . DHN 73 LEU H 73 LEU N -9.446 ? ? . . . DHN 74 GLY H 74 GLY N -5.649 ? ? . . . DHN 75 ILE H 75 ILE N -5.141 ? ? . . . DHN 76 ILE H 76 ILE N -9.597 ? ? . . . DHN 77 LEU H 77 LEU N -11.299 ? ? . . . DHN 78 ARG H 78 ARG N -4.429 ? ? . . . DHN 79 LYS H 79 LYS N -7.856 ? ? . . . DHN 80 ILE H 80 ILE N -10.389 ? ? . . . DHN 81 ARG H 81 ARG N -7.458 ? ? . . . DHN 82 ASP H 82 ASP N -3.727 ? ? . . . DHN 83 ILE H 83 ILE N -1.703 ? ? . . . DHN 85 TYR H 85 TYR N 0.822 ? ? . . . DHN 86 VAL H 86 VAL N 2.509 ? ? . . . DHN 89 SER H 89 SER N 3.511 ? ? . . . DHN 90 GLY H 90 GLY N 4.905 ? ? . . . DHN 91 ASN H 91 ASN N -2.381 ? ? . . . DHN 92 ASN H 92 ASN N 0.223 ? ? . . . DHN 93 LEU H 93 LEU N 4.235 ? ? . . . DHN 94 GLY H 94 GLY N -4.281 ? ? . . . DHN 95 THR H 95 THR N -2.696 ? ? . . . DHN 96 ALA H 96 ALA N 3.586 ? ? . . . DHN 99 THR H 99 THR N 1.622 ? ? . . . DHN 100 ALA H 100 ALA N 2.874 ? ? . . . DHN 101 HIS H 101 HIS N -6.549 ? ? . . . DHN 102 ARG H 102 ARG N -4.523 ? ? . . . DHN 103 TYR H 103 TYR N 3.069 ? ? . . . DHN 104 LEU H 104 LEU N -1.948 ? ? . . . DHN 105 LEU H 105 LEU N -8.525 ? ? . . . DHN 106 ALA H 106 ALA N -6.030 ? ? . . . DHN 107 SER H 107 SER N -3.259 ? ? . . . DHN 108 ASN H 108 ASN N -7.090 ? ? . . . DHN 109 ALA H 109 ALA N 1.380 ? ? . . . DHN 111 GLY H 111 GLY N 8.998 ? ? . . . DHN 112 ARG H 112 ARG N -1.348 ? ? . . . DHN 113 ARG H 113 ARG N 8.695 ? ? . . . DHN 114 GLN H 114 GLN N 3.812 ? ? . . . DHN 115 GLN H 115 GLN N -3.069 ? ? . . . DHN 116 VAL H 116 VAL N -1.594 ? ? . . . DHN 118 GLY H 118 GLY N 0.569 ? ? . . . DHN 119 VAL H 119 VAL N -1.602 ? ? . . . DHN 120 MET H 120 MET N 1.510 ? ? . . . DHN 121 VAL H 121 VAL N 3.160 ? ? . . . DHN 122 LEU H 122 LEU N -1.256 ? ? . . . DHN 123 LEU H 123 LEU N 7.522 ? ? . . . DHN 124 VAL H 124 VAL N -2.390 ? ? . . . DHN 126 GLU H 126 GLU N 4.553 ? ? . . . DHN 128 LEU H 128 LEU N 1.904 ? ? . . . DHN 132 ILE H 132 ILE N 4.658 ? ? . . . DHN 133 LEU H 133 LEU N -7.618 ? ? . . . DHN 134 SER H 134 SER N -8.460 ? ? . . . DHN 136 ILE H 136 ILE N -4.481 ? ? . . . DHN 137 ARG H 137 ARG N -9.910 ? ? . . . DHN 138 GLU H 138 GLU N -7.076 ? ? . . . DHN 141 THR H 141 THR N -9.768 ? ? . . . DHN 142 SER H 142 SER N 0.306 ? ? . . . DHN 143 GLY H 143 GLY N -2.458 ? ? . . . DHN 144 LEU H 144 LEU N -7.544 ? ? . . . DHN 145 LYS H 145 LYS N -2.964 ? ? . . . DHN 146 VAL H 146 VAL N 0.187 ? ? . . . DHN 147 MET H 147 MET N 1.257 ? ? . . . DHN 148 ALA H 148 ALA N 0.967 ? ? . . . DHN 149 LEU H 149 LEU N 3.706 ? ? . . . DHN 150 SER H 150 SER N -1.309 ? ? . . . DHN 152 VAL H 152 VAL N -5.241 ? ? . . . DHN 154 ALA H 154 ALA N -7.467 ? ? . . . DHN 155 ASP H 155 ASP N 8.214 ? ? . . . DHN 157 GLU H 157 GLU N -1.545 ? ? . . . DHN 158 GLN H 158 GLN N 1.950 ? ? . . . DHN 161 ARG H 161 ARG N -0.340 ? ? . . . DHN 162 LEU H 162 LEU N -0.921 ? ? . . . DHN 163 ALA H 163 ALA N -0.939 ? ? . . . DHN 166 THR H 166 THR N 3.593 ? ? . . . DHN 167 ASP H 167 ASP N 2.147 ? ? . . . DHN 169 ILE H 169 ILE N -1.975 ? ? . . . DHN 170 GLN H 170 GLN N 5.563 ? ? . . . DHN 171 ASN H 171 ASN N -1.582 ? ? . . . DHN 174 ALA H 174 ALA N 2.632 ? ? . . . DHN 178 GLY H 178 GLY N -0.407 ? ? . . . DHN 180 GLY H 180 GLY N -2.479 ? ? . . . DHN 181 LEU H 181 LEU N 3.637 ? ? . . . DHN 182 ASP H 182 ASP N 5.167 ? ? . . . DHN 183 ARG H 183 ARG N 1.315 ? ? . . . DHN 185 VAL H 185 VAL N 6.180 ? ? . . . DHN 186 SER H 186 SER N 5.782 ? ? . . . DHN 187 ASP H 187 ASP N -0.060 ? ? . . . DHN 188 LEU H 188 LEU N 2.632 ? ? . . . DHN 189 ALA H 189 ALA N 6.832 ? ? . . . DHN 190 VAL H 190 VAL N 3.809 ? ? . . . DHN 191 ALA H 191 ALA N 2.431 ? ? . . . DHN 192 LEU H 192 LEU N 5.287 ? ? . . . DHN 193 CYS H 193 CYS N 8.062 ? ? . . . DHN 194 GLN H 194 GLN N 1.167 ? ? . . . DHN 195 ALA H 195 ALA N 0.420 ? ? . . . DHN 196 ALA H 196 ALA N 3.230 ? ? . . . stop_ _Details 'residual dipolar coupling error : 2 Hz' _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Text_data_format . _Text_data . save_ save_RDC_list_2 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_3 $sample_1 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 _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 9 HIS H 9 HIS N 2.706 ? ? . . . DHN 10 GLY H 10 GLY N 1.033 ? ? . . . DHN 12 VAL H 12 VAL N 0.229 ? ? . . . DHN 13 ASP H 13 ASP N 1.572 ? ? . . . DHN 14 VAL H 14 VAL N -10.884 ? ? . . . DHN 15 VAL H 15 VAL N 0.713 ? ? . . . DHN 16 PHE H 16 PHE N -1.748 ? ? . . . DHN 17 LEU H 17 LEU N -3.134 ? ? . . . DHN 18 LEU H 18 LEU N 2.016 ? ? . . . DHN 19 HIS H 19 HIS N -5.886 ? ? . . . DHN 20 ALA H 20 ALA N 0.627 ? ? . . . DHN 21 THR H 21 THR N 0.121 ? ? . . . DHN 22 ARG H 22 ARG N -6.260 ? ? . . . DHN 23 ASP H 23 ASP N 3.838 ? ? . . . DHN 25 ALA H 25 ALA N -15.126 ? ? . . . DHN 27 ASN H 27 ASN N -10.574 ? ? . . . DHN 28 ALA H 28 ALA N -2.802 ? ? . . . DHN 29 GLU H 29 GLU N 8.684 ? ? . . . DHN 30 ALA H 30 ALA N -4.945 ? ? . . . DHN 31 VAL H 31 VAL N -4.424 ? ? . . . DHN 32 ARG H 32 ARG N 9.085 ? ? . . . DHN 33 ARG H 33 ARG N 5.073 ? ? . . . DHN 34 VAL H 34 VAL N -7.538 ? ? . . . DHN 35 LEU H 35 LEU N 1.469 ? ? . . . DHN 36 GLU H 36 GLU N 12.708 ? ? . . . DHN 37 ARG H 37 ARG N -0.378 ? ? . . . DHN 38 LEU H 38 LEU N -2.819 ? ? . . . DHN 39 VAL H 39 VAL N 10.287 ? ? . . . DHN 40 SER H 40 SER N 10.516 ? ? . . . DHN 41 ALA H 41 ALA N -7.642 ? ? . . . DHN 42 LEU H 42 LEU N 1.839 ? ? . . . DHN 43 GLY H 43 GLY N 19.133 ? ? . . . DHN 45 LEU H 45 LEU N 3.250 ? ? . . . DHN 46 GLY H 46 GLY N -11.073 ? ? . . . DHN 49 ALA H 49 ALA N -4.628 ? ? . . . DHN 50 ALA H 50 ALA N -6.418 ? ? . . . DHN 51 GLN H 51 GLN N -3.020 ? ? . . . DHN 52 VAL H 52 VAL N -2.405 ? ? . . . DHN 53 GLY H 53 GLY N -0.011 ? ? . . . DHN 54 LEU H 54 LEU N 1.258 ? ? . . . DHN 55 LEU H 55 LEU N -0.704 ? ? . . . DHN 56 THR H 56 THR N -2.901 ? ? . . . DHN 57 TYR H 57 TYR N 2.794 ? ? . . . DHN 60 ARG H 60 ARG N 6.086 ? ? . . . DHN 62 SER H 62 SER N 0.476 ? ? . . . DHN 64 LEU H 64 LEU N -1.131 ? ? . . . DHN 65 PHE H 65 PHE N -0.748 ? ? . . . DHN 68 ASN H 68 ASN N -15.449 ? ? . . . DHN 70 SER H 70 SER N -2.320 ? ? . . . DHN 72 ASP H 72 ASP N -14.896 ? ? . . . DHN 73 LEU H 73 LEU N -9.678 ? ? . . . DHN 74 GLY H 74 GLY N -2.738 ? ? . . . DHN 75 ILE H 75 ILE N 5.575 ? ? . . . DHN 76 ILE H 76 ILE N -8.918 ? ? . . . DHN 77 LEU H 77 LEU N -14.384 ? ? . . . DHN 78 ARG H 78 ARG N 2.320 ? ? . . . DHN 79 LYS H 79 LYS N -0.688 ? ? . . . DHN 80 ILE H 80 ILE N -13.326 ? ? . . . DHN 81 ARG H 81 ARG N -7.042 ? ? . . . DHN 82 ASP H 82 ASP N 7.858 ? ? . . . DHN 83 ILE H 83 ILE N -10.886 ? ? . . . DHN 85 TYR H 85 TYR N 4.265 ? ? . . . DHN 86 VAL H 86 VAL N 15.306 ? ? . . . DHN 89 SER H 89 SER N 7.779 ? ? . . . DHN 90 GLY H 90 GLY N -0.241 ? ? . . . DHN 91 ASN H 91 ASN N -2.209 ? ? . . . DHN 92 ASN H 92 ASN N -0.739 ? ? . . . DHN 93 LEU H 93 LEU N 5.502 ? ? . . . DHN 94 GLY H 94 GLY N 0.916 ? ? . . . DHN 95 THR H 95 THR N 9.656 ? ? . . . DHN 96 ALA H 96 ALA N 8.120 ? ? . . . DHN 98 THR H 98 THR N 3.750 ? ? . . . DHN 99 THR H 99 THR N 11.813 ? ? . . . DHN 100 ALA H 100 ALA N 3.510 ? ? . . . DHN 101 HIS H 101 HIS N -4.168 ? ? . . . DHN 102 ARG H 102 ARG N 0.738 ? ? . . . DHN 103 TYR H 103 TYR N 9.325 ? ? . . . DHN 104 LEU H 104 LEU N -5.542 ? ? . . . DHN 105 LEU H 105 LEU N -12.520 ? ? . . . DHN 106 ALA H 106 ALA N 1.666 ? ? . . . DHN 107 SER H 107 SER N -8.168 ? ? . . . DHN 108 ASN H 108 ASN N -13.195 ? ? . . . DHN 109 ALA H 109 ALA N -1.798 ? ? . . . DHN 111 GLY H 111 GLY N 13.104 ? ? . . . DHN 112 ARG H 112 ARG N -12.716 ? ? . . . DHN 113 ARG H 113 ARG N 14.113 ? ? . . . DHN 114 GLN H 114 GLN N -0.718 ? ? . . . DHN 115 GLN H 115 GLN N -11.869 ? ? . . . DHN 116 VAL H 116 VAL N -9.605 ? ? . . . DHN 118 GLY H 118 GLY N 1.206 ? ? . . . DHN 119 VAL H 119 VAL N -5.735 ? ? . . . DHN 120 MET H 120 MET N 0.688 ? ? . . . DHN 121 VAL H 121 VAL N 0.896 ? ? . . . DHN 122 LEU H 122 LEU N 1.237 ? ? . . . DHN 123 LEU H 123 LEU N 0.380 ? ? . . . DHN 124 VAL H 124 VAL N -12.273 ? ? . . . DHN 126 GLU H 126 GLU N 19.356 ? ? . . . DHN 128 LEU H 128 LEU N -3.301 ? ? . . . DHN 132 ILE H 132 ILE N 3.997 ? ? . . . DHN 133 LEU H 133 LEU N -9.002 ? ? . . . DHN 134 SER H 134 SER N -2.619 ? ? . . . DHN 136 ILE H 136 ILE N -1.308 ? ? . . . DHN 137 ARG H 137 ARG N -7.675 ? ? . . . DHN 138 GLU H 138 GLU N 2.673 ? ? . . . DHN 139 ALA H 139 ALA N 10.856 ? ? . . . DHN 140 GLN H 140 GLN N -6.849 ? ? . . . DHN 141 THR H 141 THR N -5.463 ? ? . . . DHN 142 SER H 142 SER N 15.943 ? ? . . . DHN 143 GLY H 143 GLY N -5.071 ? ? . . . DHN 144 LEU H 144 LEU N -19.158 ? ? . . . DHN 145 LYS H 145 LYS N -7.316 ? ? . . . DHN 146 VAL H 146 VAL N 1.998 ? ? . . . DHN 147 MET H 147 MET N -2.067 ? ? . . . DHN 148 ALA H 148 ALA N -1.990 ? ? . . . DHN 149 LEU H 149 LEU N -3.645 ? ? . . . DHN 150 SER H 150 SER N -5.799 ? ? . . . DHN 152 VAL H 152 VAL N -12.266 ? ? . . . DHN 154 ALA H 154 ALA N -16.990 ? ? . . . DHN 155 ASP H 155 ASP N 7.238 ? ? . . . DHN 157 GLU H 157 GLU N 10.279 ? ? . . . DHN 158 GLN H 158 GLN N 10.453 ? ? . . . DHN 161 ARG H 161 ARG N 8.437 ? ? . . . DHN 162 LEU H 162 LEU N -2.653 ? ? . . . DHN 163 ALA H 163 ALA N -4.389 ? ? . . . DHN 166 THR H 166 THR N 5.203 ? ? . . . DHN 167 ASP H 167 ASP N -0.179 ? ? . . . DHN 169 ILE H 169 ILE N -2.705 ? ? . . . DHN 170 GLN H 170 GLN N 6.189 ? ? . . . DHN 174 ALA H 174 ALA N -8.843 ? ? . . . DHN 178 GLY H 178 GLY N -3.128 ? ? . . . DHN 180 GLY H 180 GLY N 11.079 ? ? . . . DHN 181 LEU H 181 LEU N 17.044 ? ? . . . DHN 182 ASP H 182 ASP N 19.402 ? ? . . . DHN 183 ARG H 183 ARG N 13.415 ? ? . . . DHN 184 ALA H 184 ALA N 15.191 ? ? . . . DHN 185 VAL H 185 VAL N 19.309 ? ? . . . DHN 186 SER H 186 SER N 17.414 ? ? . . . DHN 187 ASP H 187 ASP N 10.417 ? ? . . . DHN 188 LEU H 188 LEU N 16.894 ? ? . . . DHN 189 ALA H 189 ALA N 19.807 ? ? . . . DHN 190 VAL H 190 VAL N 15.301 ? ? . . . DHN 191 ALA H 191 ALA N 15.537 ? ? . . . DHN 192 LEU H 192 LEU N 19.095 ? ? . . . DHN 193 CYS H 193 CYS N 11.499 ? ? . . . DHN 194 GLN H 194 GLN N 8.557 ? ? . . . DHN 195 ALA H 195 ALA N 8.719 ? ? . . . DHN 196 ALA H 196 ALA N 1.649 ? ? . . . stop_ _Details 'residual dipolar coupling error : 2 Hz' _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Text_data_format . _Text_data . save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details 'indirect calibration via 4% MeOH ind MeOH-d4' loop_ _Software_label $software_1 $software_2 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Iz _T1_value_units s _Mol_system_component_name mvWFA2 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 HIS N 0.63045 0.01030 2 10 GLY N 0.62167 0.00987 3 12 VAL N 0.73774 0.01404 4 13 ASP N 0.70443 0.02191 5 16 PHE N 0.67779 0.02913 6 17 LEU N 0.71411 0.01234 7 19 HIS N 0.67387 0.02299 8 20 ALA N 0.69582 0.01843 9 21 THR N 0.68483 0.01826 10 22 ARG N 0.67564 0.01629 11 25 ALA N 0.70384 0.01726 12 27 ASN N 0.67718 0.01930 13 28 ALA N 0.68823 0.01463 14 29 GLU N 0.67199 0.01325 15 30 ALA N 0.72369 0.01557 16 31 VAL N 0.69149 0.01377 17 32 ARG N 0.69043 0.01361 18 33 ARG N 0.71756 0.02181 19 34 VAL N 0.73251 0.01500 20 35 LEU N 0.69288 0.00493 21 36 GLU N 0.68234 0.01987 22 37 ARG N 0.71953 0.01725 23 38 LEU N 0.72724 0.01220 24 39 VAL N 0.73263 0.01653 25 40 SER N 0.71289 0.01344 26 41 ALA N 0.72533 0.01202 27 42 LEU N 0.74147 0.01462 28 43 GLY N 0.71840 0.01060 29 45 LEU N 0.74383 0.01359 30 46 GLY N 0.71355 0.01749 31 49 ALA N 0.73084 0.01873 32 50 ALA N 0.68406 0.01369 33 51 GLN N 0.69956 0.01883 34 53 GLY N 0.69084 0.01063 35 54 LEU N 0.69047 0.01462 36 55 LEU N 0.69664 0.01666 37 57 TYR N 0.65257 0.01481 38 60 ARG N 0.64262 0.02203 39 62 SER N 0.71256 0.01004 40 64 LEU N 0.73406 0.02149 41 65 PHE N 0.72385 0.01537 42 67 LEU N 0.69491 0.02407 43 68 ASN N 0.68529 0.01537 44 70 SER N 0.64847 0.01320 45 72 ASP N 0.70082 0.01817 46 73 LEU N 0.71111 0.01740 47 74 GLY N 0.70551 0.01087 48 75 ILE N 0.69932 0.01794 49 76 ILE N 0.68782 0.00772 50 77 LEU N 0.70714 0.00993 51 79 LYS N 0.74380 0.02870 52 80 ILE N 0.70622 0.01853 53 81 ARG N 0.70933 0.01662 54 82 ASP N 0.73521 0.01382 55 83 ILE N 0.75778 0.01100 56 85 TYR N 0.74117 0.02484 57 86 VAL N 0.76626 0.01288 58 87 ASP N 0.70116 0.02511 59 89 SER N 0.69717 0.02048 60 90 GLY N 0.72207 0.02021 61 91 ASN N 0.66498 0.01667 62 92 ASN N 0.68442 0.03058 63 93 LEU N 0.70060 0.02293 64 94 GLY N 0.63109 0.01678 65 95 THR N 0.62115 0.01597 66 96 ALA N 0.68044 0.01537 67 99 THR N 0.66633 0.01252 68 100 ALA N 0.68437 0.01591 69 101 HIS N 0.70154 0.00801 70 102 ARG N 0.72458 0.01262 71 103 TYR N 0.71009 0.01617 72 104 LEU N 0.68691 0.02876 73 105 LEU N 0.67830 0.02371 74 106 ALA N 0.76266 0.01012 75 107 SER N 0.70023 0.02350 76 108 ASN N 0.65464 0.01786 77 109 ALA N 0.69728 0.00793 78 111 GLY N 0.69535 0.01340 79 112 ARG N 0.68605 0.00947 80 113 ARG N 0.68973 0.03061 81 114 GLN N 0.68879 0.00870 82 115 GLN N 0.72795 0.02348 83 116 VAL N 0.76311 0.00825 84 118 GLY N 0.73840 0.00717 85 119 VAL N 0.71303 0.01268 86 120 MET N 0.70833 0.01216 87 121 VAL N 0.70085 0.01439 88 122 LEU N 0.71339 0.01092 89 123 LEU N 0.71900 0.00839 90 124 VAL N 0.71123 0.01435 91 125 ASP N 0.67191 0.02114 92 126 GLU N 0.69940 0.01479 93 128 LEU N 0.72078 0.02233 94 132 ILE N 0.67863 0.02362 95 133 LEU N 0.67831 0.02653 96 134 SER N 0.70144 0.01657 97 136 ILE N 0.71134 0.01868 98 137 ARG N 0.69875 0.01133 99 141 THR N 0.70106 0.01459 100 142 SER N 0.70971 0.02194 101 143 GLY N 0.70645 0.01962 102 144 LEU N 0.75125 0.01696 103 145 LYS N 0.69983 0.01558 104 146 VAL N 0.74896 0.01194 105 147 MET N 0.73463 0.01476 106 148 ALA N 0.72148 0.01337 107 149 LEU N 0.71611 0.02079 108 150 SER N 0.67017 0.02413 109 151 LEU N 0.69656 0.01526 110 152 VAL N 0.68947 0.01681 111 153 GLY N 0.68658 0.02006 112 154 ALA N 0.69238 0.01025 113 157 GLU N 0.66694 0.01602 114 158 GLN N 0.66816 0.01507 115 163 ALA N 0.62209 0.01237 116 166 THR N 0.73011 0.03093 117 167 ASP N 0.64312 0.01626 118 169 ILE N 0.69711 0.01342 119 170 GLN N 0.69499 0.01721 120 171 ASN N 0.69556 0.01746 121 172 PHE N 0.70472 0.03528 122 174 ALA N 0.69540 0.02365 123 177 ASN N 0.82995 0.07890 124 178 GLY N 0.72533 0.01576 125 180 GLY N 0.70911 0.01629 126 181 LEU N 0.70574 0.00913 127 182 ASP N 0.67458 0.01740 128 183 ARG N 0.70165 0.01275 129 185 VAL N 0.69983 0.01632 130 186 SER N 0.70674 0.00922 131 187 ASP N 0.70038 0.00956 132 188 LEU N 0.70549 0.01983 133 189 ALA N 0.67604 0.01331 134 190 VAL N 0.71082 0.01625 135 191 ALA N 0.68742 0.01666 136 192 LEU N 0.70909 0.01213 137 193 CYS N 0.70615 0.01928 138 194 GLN N 0.66620 0.01259 139 195 ALA N 0.62441 0.02000 140 196 ALA N 0.68162 0.01459 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details 'indirect calibration via 4% MeOH ind MeOH-d4' loop_ _Software_label $software_1 $software_2 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type (S+)+(S-) _T2_value_units ms _Mol_system_component_name mvWFA2 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 9 HIS N 64.8733 2.9124 . . 2 10 GLY N 96.5815 2.3599 . . 3 12 VAL N 60.9600 4.2856 . . 4 13 ASP N 57.8885 1.2816 . . 5 16 PHE N 64.0889 1.5500 . . 6 17 LEU N 64.8167 1.6327 . . 7 19 HIS N 64.9130 2.0313 . . 8 20 ALA N 54.7246 1.7793 . . 9 21 THR N 58.1295 0.7574 . . 10 22 ARG N 57.1373 1.1065 . . 11 25 ALA N 62.5135 2.7013 . . 12 27 ASN N 61.2297 1.6163 . . 13 28 ALA N 58.8380 1.8124 . . 14 29 GLU N 57.7809 2.1145 . . 15 30 ALA N 69.7941 2.2171 . . 16 31 VAL N 56.2828 1.7053 . . 17 32 ARG N 60.4661 2.3317 . . 18 33 ARG N 57.5743 1.0669 . . 19 34 VAL N 59.0307 1.1639 . . 20 35 LEU N 64.0161 1.0753 . . 21 36 GLU N 57.3654 2.0234 . . 22 37 ARG N 57.7680 1.1888 . . 23 38 LEU N 58.5587 1.7003 . . 24 39 VAL N 59.8245 1.8910 . . 25 40 SER N 62.5068 1.0907 . . 26 41 ALA N 64.4482 2.1647 . . 27 42 LEU N 64.5072 2.5607 . . 28 43 GLY N 53.1627 0.9934 . . 29 45 LEU N 67.3893 1.0602 . . 30 46 GLY N 67.4138 1.1899 . . 31 49 ALA N 65.3104 1.9878 . . 32 50 ALA N 58.3981 0.8305 . . 33 51 GLN N 59.9408 0.8851 . . 34 53 GLY N 63.1935 1.5790 . . 35 54 LEU N 60.2668 1.2440 . . 36 55 LEU N 56.8684 1.5434 . . 37 57 TYR N 55.8356 0.7801 . . 38 60 ARG N 56.9752 1.7200 . . 39 62 SER N 64.6248 1.0798 . . 40 64 LEU N 62.4166 0.9354 . . 41 65 PHE N 63.5132 2.3969 . . 42 67 LEU N 54.9199 1.4207 . . 43 68 ASN N 61.8789 2.4925 . . 44 70 SER N 68.7843 1.5932 . . 45 72 ASP N 62.5254 1.7044 . . 46 73 LEU N 59.3314 2.4238 . . 47 74 GLY N 56.8499 1.4460 . . 48 75 ILE N 67.2808 2.5336 . . 49 76 ILE N 59.0770 2.6030 . . 50 77 LEU N 56.8221 1.0250 . . 51 79 LYS N 60.1607 0.6508 . . 52 80 ILE N 58.5531 0.9823 . . 53 81 ARG N 60.0334 1.6914 . . 54 82 ASP N 61.9019 1.5557 . . 55 83 ILE N 66.0106 1.9548 . . 56 85 TYR N 65.9693 1.8125 . . 57 86 VAL N 75.5005 4.5483 . . 58 87 ASP N 66.1676 1.9478 . . 59 89 SER N 72.4008 2.8361 . . 60 90 GLY N 76.8516 2.9507 . . 61 91 ASN N 112.5412 8.8355 . . 62 92 ASN N 62.6454 1.8563 . . 63 93 LEU N 69.2383 2.6753 . . 64 94 GLY N 65.4163 1.8683 . . 65 95 THR N 65.0672 2.3414 . . 66 96 ALA N 62.1193 1.9319 . . 67 99 THR N 56.0633 1.2499 . . 68 100 ALA N 58.6015 2.1143 . . 69 101 HIS N 51.6006 1.0116 . . 70 102 ARG N 60.6876 0.8553 . . 71 103 TYR N 61.7749 1.1797 . . 72 104 LEU N 62.4941 1.7408 . . 73 105 LEU N 59.8455 2.2542 . . 74 106 ALA N 64.4405 2.4223 . . 75 107 SER N 72.7189 3.4878 . . 76 108 ASN N 58.1907 2.5613 . . 77 109 ALA N 66.8749 2.7351 . . 78 111 GLY N 67.4691 1.5824 . . 79 112 ARG N 58.6152 0.7239 . . 80 113 ARG N 56.5074 1.2306 . . 81 114 GLN N 71.8469 1.7319 . . 82 115 GLN N 63.9137 2.7181 . . 83 116 VAL N 57.1004 1.6124 . . 84 118 GLY N 69.3473 1.0163 . . 85 119 VAL N 64.5439 2.2444 . . 86 120 MET N 65.4284 2.2940 . . 87 121 VAL N 66.4015 2.6988 . . 88 122 LEU N 67.5851 2.3802 . . 89 123 LEU N 72.4543 2.3475 . . 90 124 VAL N 65.0186 1.7395 . . 91 125 ASP N 61.1807 2.5989 . . 92 126 GLU N 59.3372 1.5302 . . 93 128 LEU N 60.0096 4.5300 . . 94 132 ILE N 65.7751 2.8034 . . 95 133 LEU N 68.1898 1.2109 . . 96 134 SER N 60.0625 1.8818 . . 97 136 ILE N 53.0685 1.7962 . . 98 137 ARG N 56.2012 0.9373 . . 99 141 THR N 57.3942 1.3286 . . 100 142 SER N 61.4413 1.5389 . . 101 143 GLY N 68.9465 0.9809 . . 102 144 LEU N 56.9366 1.3531 . . 103 145 LYS N 63.2315 2.6836 . . 104 146 VAL N 70.0691 1.4559 . . 105 147 MET N 65.4532 2.3841 . . 106 148 ALA N 62.7782 1.8193 . . 107 149 LEU N 63.1553 1.1173 . . 108 150 SER N 58.4973 2.2282 . . 109 151 LEU N 66.2207 2.0749 . . 110 152 VAL N 58.6579 1.5498 . . 111 153 GLY N 45.4233 0.9025 . . 112 154 ALA N 57.5103 1.3357 . . 113 157 GLU N 66.9932 0.8016 . . 114 158 GLN N 63.4870 2.0685 . . 115 163 ALA N 90.4251 3.0686 . . 116 166 THR N 84.0681 3.6931 . . 117 167 ASP N 86.5550 2.2316 . . 118 169 ILE N 55.5406 1.2327 . . 119 170 GLN N 58.3276 1.9196 . . 120 171 ASN N 60.1060 2.0773 . . 121 172 PHE N 61.5336 1.5053 . . 122 174 ALA N 53.8988 0.6080 . . 123 177 ASN N 137.8614 14.6954 . . 124 178 GLY N 64.0076 1.0923 . . 125 180 GLY N 51.2630 1.0335 . . 126 181 LEU N 59.5663 3.2656 . . 127 182 ASP N 57.7205 2.2716 . . 128 183 ARG N 58.7565 1.0430 . . 129 185 VAL N 61.1684 0.4745 . . 130 186 SER N 62.7640 1.6381 . . 131 187 ASP N 59.0226 1.0197 . . 132 188 LEU N 63.0098 2.5208 . . 133 189 ALA N 60.0102 1.1314 . . 134 190 VAL N 57.3942 0.7778 . . 135 191 ALA N 63.2448 0.9682 . . 136 192 LEU N 58.6831 0.8243 . . 137 193 CYS N 58.6847 1.3406 . . 138 194 GLN N 57.2519 1.5469 . . 139 195 ALA N 76.5737 3.2954 . . 140 196 ALA N 109.1058 2.1234 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details 'indirect calibration via 4% MeOH ind MeOH-d4' loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '15N-(1H) NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name mvWFA2 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 9 HIS 0.639 0.023 10 GLY 0.535 0.009 12 VAL 0.819 0.018 13 ASP 0.821 0.015 16 PHE 0.828 0.013 17 LEU 0.782 0.009 19 HIS 0.812 0.023 20 ALA 0.807 0.011 21 THR 0.809 0.014 22 ARG 0.778 0.012 25 ALA 0.777 0.009 27 ASN 0.787 0.012 28 ALA 0.800 0.008 29 GLU 0.800 0.009 30 ALA 0.751 0.006 31 VAL 0.772 0.010 32 ARG 0.762 0.013 33 ARG 0.833 0.010 34 VAL 0.791 0.013 35 LEU 0.792 0.011 36 GLU 0.797 0.010 37 ARG 0.824 0.012 38 LEU 0.781 0.011 39 VAL 0.783 0.019 40 SER 0.793 0.010 41 ALA 0.757 0.009 42 LEU 0.778 0.013 43 GLY 0.808 0.010 45 LEU 0.740 0.009 46 GLY 0.806 0.011 48 GLN 0.736 0.070 49 ALA 0.812 0.010 50 ALA 0.812 0.012 51 GLN 0.824 0.012 53 GLY 0.836 0.019 54 LEU 0.799 0.009 55 LEU 0.814 0.013 57 TYR 0.828 0.013 60 ARG 0.784 0.010 62 SER 0.760 0.012 64 LEU 0.766 0.017 65 PHE 0.790 0.009 67 LEU 0.788 0.019 68 ASN 0.846 0.011 70 SER 0.849 0.009 72 ASP 0.777 0.010 73 LEU 0.814 0.014 74 GLY 0.799 0.010 75 ILE 0.783 0.010 76 ILE 0.735 0.011 77 LEU 0.796 0.013 79 LYS 0.770 0.010 80 ILE 0.787 0.012 81 ARG 0.779 0.011 82 ASP 0.753 0.008 83 ILE 0.741 0.009 85 TYR 0.802 0.014 86 VAL 0.684 0.013 87 ASP 0.771 0.014 89 SER 0.748 0.006 90 GLY 0.677 0.011 91 ASN 0.160 0.024 92 ASN 0.750 0.009 93 LEU 0.793 0.013 94 GLY 0.798 0.013 95 THR 0.729 0.012 96 ALA 0.819 0.009 99 THR 0.813 0.013 100 ALA 0.818 0.009 101 HIS 0.795 0.013 102 ARG 0.807 0.012 103 TYR 0.811 0.012 104 LEU 0.727 0.014 105 LEU 0.744 0.016 106 ALA 0.830 0.010 107 SER 0.789 0.028 108 ASN 0.777 0.017 109 ALA 0.820 0.007 111 GLY 0.840 0.012 112 ARG 0.831 0.008 113 ARG 0.822 0.023 114 GLN 0.713 0.008 115 GLN 0.745 0.015 116 VAL 0.771 0.008 118 GLY 0.803 0.012 119 VAL 0.807 0.013 120 MET 0.813 0.012 121 VAL 0.800 0.010 122 LEU 0.838 0.019 123 LEU 0.860 0.015 124 VAL 0.456 0.013 125 ASP 0.653 0.015 126 GLU 0.843 0.011 128 LEU 0.791 0.030 132 ILE 0.613 0.021 133 LEU 0.708 0.011 134 SER 0.775 0.013 136 ILE 0.845 0.017 137 ARG 0.783 0.013 141 THR 0.789 0.012 142 SER 0.806 0.008 143 GLY 0.803 0.009 144 LEU 0.803 0.012 145 LYS 0.749 0.009 146 VAL 0.768 0.020 147 MET 0.806 0.013 148 ALA 0.761 0.012 149 LEU 0.793 0.014 150 SER 0.827 0.021 151 LEU 0.766 0.015 152 VAL 0.692 0.012 153 GLY 0.786 0.022 154 ALA 0.784 0.010 157 GLU 0.702 0.010 158 GLN 0.717 0.011 163 ALA 0.551 0.006 166 THR 0.542 0.017 167 ASP 0.553 0.010 169 ILE 0.583 0.011 170 GLN 0.673 0.020 171 ASN 0.730 0.011 172 PHE 0.759 0.017 174 ALA 0.786 0.016 177 ASN 0.767 0.081 178 GLY 0.763 0.009 180 GLY 0.784 0.013 181 LEU 0.782 0.014 182 ASP 0.783 0.009 183 ARG 0.802 0.008 185 VAL 1.530 0.023 186 SER 0.754 0.009 187 ASP 0.787 0.011 188 LEU 0.835 0.014 189 ALA 0.806 0.010 190 VAL 0.800 0.012 191 ALA 0.736 0.009 192 LEU 0.767 0.015 193 CYS 0.756 0.010 194 GLN 0.768 0.012 195 ALA 0.647 0.008 196 ALA 0.440 0.008 stop_ save_