data_26972 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26972 _Entry.Title ; Backbone resonance assignments for the SET domain of human methyltransferase NSD3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-15 _Entry.Accession_date 2016-12-15 _Entry.Last_release_date 2016-12-15 _Entry.Original_release_date 2016-12-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yan Li . . . . 26972 2 'Hui Qi' Ng . . . . 26972 3 CongBao Kang . . . . 26972 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 691 26972 '15N chemical shifts' 224 26972 '1H chemical shifts' 224 26972 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-12-14 2016-12-15 update BMRB 'update entry citation' 26972 1 . . 2017-08-23 2016-12-15 original author 'original release' 26972 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26972 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28808922 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments for the SET domain of human methyltransferase NSD3 in complex with its cofactor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 11 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 225 _Citation.Page_last 229 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yan Li Y. . . . 26972 1 2 'Hui Qi' Ng H. Q. . . 26972 1 3 Anna Ngo A. . . . 26972 1 4 Shuang Liu S. . . . 26972 1 5 'Yih Wan' Tan Y. W. . . 26972 1 6 'Perlyn Zekui' Kwek P. Z. . . 26972 1 7 Alvin Hung A. W. . . 26972 1 8 Joma Joy J. . . . 26972 1 9 Jeffrey Hill J. . . . 26972 1 10 Thomas Keller T. H. . . 26972 1 11 CongBao Kang C. . . . 26972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26972 _Assembly.ID 1 _Assembly.Name 'SET domain of human methyltransferase NSD3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SET domain of human methyltransferase NSD3' 1 $SET_domain_of_human_methyltransferase_NSD3 A . yes native no no . . . 26972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SET_domain_of_human_methyltransferase_NSD3 _Entity.Sf_category entity _Entity.Sf_framecode SET_domain_of_human_methyltransferase_NSD3 _Entity.Entry_ID 26972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SET_domain_of_human_methyltransferase_NSD3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQELKAQRESKEALEIEKNS RKPPPYKHIKANKVIGKVQI QVADLSEIPRCNCKPADENP CGLESECLNRMLQYECHPQV CPAGDRCQNQCFTKRLYPDA EIIKTERRGWGLRTKRSIKK GEFVNEYVGELIDEEECRLR IKRAHENSVTNFYMLTVTKD RIIDAGPKGNYSRFMNHSCN PNCETQKWTVNGDVRVGLFA LCDIPAGMELTFNYNLDCLG NGRTECHCGADNCSGFLGVR PKSACASTNEEKHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 258 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1048 MET . 26972 1 2 1049 GLN . 26972 1 3 1050 GLU . 26972 1 4 1051 LEU . 26972 1 5 1052 LYS . 26972 1 6 1053 ALA . 26972 1 7 1054 GLN . 26972 1 8 1055 ARG . 26972 1 9 1056 GLU . 26972 1 10 1057 SER . 26972 1 11 1058 LYS . 26972 1 12 1059 GLU . 26972 1 13 1060 ALA . 26972 1 14 1061 LEU . 26972 1 15 1062 GLU . 26972 1 16 1063 ILE . 26972 1 17 1064 GLU . 26972 1 18 1065 LYS . 26972 1 19 1066 ASN . 26972 1 20 1067 SER . 26972 1 21 1068 ARG . 26972 1 22 1069 LYS . 26972 1 23 1070 PRO . 26972 1 24 1071 PRO . 26972 1 25 1072 PRO . 26972 1 26 1073 TYR . 26972 1 27 1074 LYS . 26972 1 28 1075 HIS . 26972 1 29 1076 ILE . 26972 1 30 1077 LYS . 26972 1 31 1078 ALA . 26972 1 32 1079 ASN . 26972 1 33 1080 LYS . 26972 1 34 1081 VAL . 26972 1 35 1082 ILE . 26972 1 36 1083 GLY . 26972 1 37 1084 LYS . 26972 1 38 1085 VAL . 26972 1 39 1086 GLN . 26972 1 40 1087 ILE . 26972 1 41 1088 GLN . 26972 1 42 1089 VAL . 26972 1 43 1090 ALA . 26972 1 44 1091 ASP . 26972 1 45 1092 LEU . 26972 1 46 1093 SER . 26972 1 47 1094 GLU . 26972 1 48 1095 ILE . 26972 1 49 1096 PRO . 26972 1 50 1097 ARG . 26972 1 51 1098 CYS . 26972 1 52 1099 ASN . 26972 1 53 1100 CYS . 26972 1 54 1101 LYS . 26972 1 55 1102 PRO . 26972 1 56 1103 ALA . 26972 1 57 1104 ASP . 26972 1 58 1105 GLU . 26972 1 59 1106 ASN . 26972 1 60 1107 PRO . 26972 1 61 1108 CYS . 26972 1 62 1109 GLY . 26972 1 63 1110 LEU . 26972 1 64 1111 GLU . 26972 1 65 1112 SER . 26972 1 66 1113 GLU . 26972 1 67 1114 CYS . 26972 1 68 1115 LEU . 26972 1 69 1116 ASN . 26972 1 70 1117 ARG . 26972 1 71 1118 MET . 26972 1 72 1119 LEU . 26972 1 73 1120 GLN . 26972 1 74 1121 TYR . 26972 1 75 1122 GLU . 26972 1 76 1123 CYS . 26972 1 77 1124 HIS . 26972 1 78 1125 PRO . 26972 1 79 1126 GLN . 26972 1 80 1127 VAL . 26972 1 81 1128 CYS . 26972 1 82 1129 PRO . 26972 1 83 1130 ALA . 26972 1 84 1131 GLY . 26972 1 85 1132 ASP . 26972 1 86 1133 ARG . 26972 1 87 1134 CYS . 26972 1 88 1135 GLN . 26972 1 89 1136 ASN . 26972 1 90 1137 GLN . 26972 1 91 1138 CYS . 26972 1 92 1139 PHE . 26972 1 93 1140 THR . 26972 1 94 1141 LYS . 26972 1 95 1142 ARG . 26972 1 96 1143 LEU . 26972 1 97 1144 TYR . 26972 1 98 1145 PRO . 26972 1 99 1146 ASP . 26972 1 100 1147 ALA . 26972 1 101 1148 GLU . 26972 1 102 1149 ILE . 26972 1 103 1150 ILE . 26972 1 104 1151 LYS . 26972 1 105 1152 THR . 26972 1 106 1153 GLU . 26972 1 107 1154 ARG . 26972 1 108 1155 ARG . 26972 1 109 1156 GLY . 26972 1 110 1157 TRP . 26972 1 111 1158 GLY . 26972 1 112 1159 LEU . 26972 1 113 1160 ARG . 26972 1 114 1161 THR . 26972 1 115 1162 LYS . 26972 1 116 1163 ARG . 26972 1 117 1164 SER . 26972 1 118 1165 ILE . 26972 1 119 1166 LYS . 26972 1 120 1167 LYS . 26972 1 121 1168 GLY . 26972 1 122 1169 GLU . 26972 1 123 1170 PHE . 26972 1 124 1171 VAL . 26972 1 125 1172 ASN . 26972 1 126 1173 GLU . 26972 1 127 1174 TYR . 26972 1 128 1175 VAL . 26972 1 129 1176 GLY . 26972 1 130 1177 GLU . 26972 1 131 1178 LEU . 26972 1 132 1179 ILE . 26972 1 133 1180 ASP . 26972 1 134 1181 GLU . 26972 1 135 1182 GLU . 26972 1 136 1183 GLU . 26972 1 137 1184 CYS . 26972 1 138 1185 ARG . 26972 1 139 1186 LEU . 26972 1 140 1187 ARG . 26972 1 141 1188 ILE . 26972 1 142 1189 LYS . 26972 1 143 1190 ARG . 26972 1 144 1191 ALA . 26972 1 145 1192 HIS . 26972 1 146 1193 GLU . 26972 1 147 1194 ASN . 26972 1 148 1195 SER . 26972 1 149 1196 VAL . 26972 1 150 1197 THR . 26972 1 151 1198 ASN . 26972 1 152 1199 PHE . 26972 1 153 1200 TYR . 26972 1 154 1201 MET . 26972 1 155 1202 LEU . 26972 1 156 1203 THR . 26972 1 157 1204 VAL . 26972 1 158 1205 THR . 26972 1 159 1206 LYS . 26972 1 160 1207 ASP . 26972 1 161 1208 ARG . 26972 1 162 1209 ILE . 26972 1 163 1210 ILE . 26972 1 164 1211 ASP . 26972 1 165 1212 ALA . 26972 1 166 1213 GLY . 26972 1 167 1214 PRO . 26972 1 168 1215 LYS . 26972 1 169 1216 GLY . 26972 1 170 1217 ASN . 26972 1 171 1218 TYR . 26972 1 172 1219 SER . 26972 1 173 1220 ARG . 26972 1 174 1221 PHE . 26972 1 175 1222 MET . 26972 1 176 1223 ASN . 26972 1 177 1224 HIS . 26972 1 178 1225 SER . 26972 1 179 1226 CYS . 26972 1 180 1227 ASN . 26972 1 181 1228 PRO . 26972 1 182 1229 ASN . 26972 1 183 1230 CYS . 26972 1 184 1231 GLU . 26972 1 185 1232 THR . 26972 1 186 1233 GLN . 26972 1 187 1234 LYS . 26972 1 188 1235 TRP . 26972 1 189 1236 THR . 26972 1 190 1237 VAL . 26972 1 191 1238 ASN . 26972 1 192 1239 GLY . 26972 1 193 1240 ASP . 26972 1 194 1241 VAL . 26972 1 195 1242 ARG . 26972 1 196 1243 VAL . 26972 1 197 1244 GLY . 26972 1 198 1245 LEU . 26972 1 199 1246 PHE . 26972 1 200 1247 ALA . 26972 1 201 1248 LEU . 26972 1 202 1249 CYS . 26972 1 203 1250 ASP . 26972 1 204 1251 ILE . 26972 1 205 1252 PRO . 26972 1 206 1253 ALA . 26972 1 207 1254 GLY . 26972 1 208 1255 MET . 26972 1 209 1256 GLU . 26972 1 210 1257 LEU . 26972 1 211 1258 THR . 26972 1 212 1259 PHE . 26972 1 213 1260 ASN . 26972 1 214 1261 TYR . 26972 1 215 1262 ASN . 26972 1 216 1263 LEU . 26972 1 217 1264 ASP . 26972 1 218 1265 CYS . 26972 1 219 1266 LEU . 26972 1 220 1267 GLY . 26972 1 221 1268 ASN . 26972 1 222 1269 GLY . 26972 1 223 1270 ARG . 26972 1 224 1271 THR . 26972 1 225 1272 GLU . 26972 1 226 1273 CYS . 26972 1 227 1274 HIS . 26972 1 228 1275 CYS . 26972 1 229 1276 GLY . 26972 1 230 1277 ALA . 26972 1 231 1278 ASP . 26972 1 232 1279 ASN . 26972 1 233 1280 CYS . 26972 1 234 1281 SER . 26972 1 235 1282 GLY . 26972 1 236 1283 PHE . 26972 1 237 1284 LEU . 26972 1 238 1285 GLY . 26972 1 239 1286 VAL . 26972 1 240 1287 ARG . 26972 1 241 1288 PRO . 26972 1 242 1289 LYS . 26972 1 243 1290 SER . 26972 1 244 1291 ALA . 26972 1 245 1292 CYS . 26972 1 246 1293 ALA . 26972 1 247 1294 SER . 26972 1 248 1295 THR . 26972 1 249 1296 ASN . 26972 1 250 1297 GLU . 26972 1 251 1298 GLU . 26972 1 252 1299 LYS . 26972 1 253 1300 HIS . 26972 1 254 1301 HIS . 26972 1 255 1302 HIS . 26972 1 256 1303 HIS . 26972 1 257 1304 HIS . 26972 1 258 1305 HIS . 26972 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26972 1 . GLN 2 2 26972 1 . GLU 3 3 26972 1 . LEU 4 4 26972 1 . LYS 5 5 26972 1 . ALA 6 6 26972 1 . GLN 7 7 26972 1 . ARG 8 8 26972 1 . GLU 9 9 26972 1 . SER 10 10 26972 1 . LYS 11 11 26972 1 . GLU 12 12 26972 1 . ALA 13 13 26972 1 . LEU 14 14 26972 1 . GLU 15 15 26972 1 . ILE 16 16 26972 1 . GLU 17 17 26972 1 . LYS 18 18 26972 1 . ASN 19 19 26972 1 . SER 20 20 26972 1 . ARG 21 21 26972 1 . LYS 22 22 26972 1 . PRO 23 23 26972 1 . PRO 24 24 26972 1 . PRO 25 25 26972 1 . TYR 26 26 26972 1 . LYS 27 27 26972 1 . HIS 28 28 26972 1 . ILE 29 29 26972 1 . LYS 30 30 26972 1 . ALA 31 31 26972 1 . ASN 32 32 26972 1 . LYS 33 33 26972 1 . VAL 34 34 26972 1 . ILE 35 35 26972 1 . GLY 36 36 26972 1 . LYS 37 37 26972 1 . VAL 38 38 26972 1 . GLN 39 39 26972 1 . ILE 40 40 26972 1 . GLN 41 41 26972 1 . VAL 42 42 26972 1 . ALA 43 43 26972 1 . ASP 44 44 26972 1 . LEU 45 45 26972 1 . SER 46 46 26972 1 . GLU 47 47 26972 1 . ILE 48 48 26972 1 . PRO 49 49 26972 1 . ARG 50 50 26972 1 . CYS 51 51 26972 1 . ASN 52 52 26972 1 . CYS 53 53 26972 1 . LYS 54 54 26972 1 . PRO 55 55 26972 1 . ALA 56 56 26972 1 . ASP 57 57 26972 1 . GLU 58 58 26972 1 . ASN 59 59 26972 1 . PRO 60 60 26972 1 . CYS 61 61 26972 1 . GLY 62 62 26972 1 . LEU 63 63 26972 1 . GLU 64 64 26972 1 . SER 65 65 26972 1 . GLU 66 66 26972 1 . CYS 67 67 26972 1 . LEU 68 68 26972 1 . ASN 69 69 26972 1 . ARG 70 70 26972 1 . MET 71 71 26972 1 . LEU 72 72 26972 1 . GLN 73 73 26972 1 . TYR 74 74 26972 1 . GLU 75 75 26972 1 . CYS 76 76 26972 1 . HIS 77 77 26972 1 . PRO 78 78 26972 1 . GLN 79 79 26972 1 . VAL 80 80 26972 1 . CYS 81 81 26972 1 . PRO 82 82 26972 1 . ALA 83 83 26972 1 . GLY 84 84 26972 1 . ASP 85 85 26972 1 . ARG 86 86 26972 1 . CYS 87 87 26972 1 . GLN 88 88 26972 1 . ASN 89 89 26972 1 . GLN 90 90 26972 1 . CYS 91 91 26972 1 . PHE 92 92 26972 1 . THR 93 93 26972 1 . LYS 94 94 26972 1 . ARG 95 95 26972 1 . LEU 96 96 26972 1 . TYR 97 97 26972 1 . PRO 98 98 26972 1 . ASP 99 99 26972 1 . ALA 100 100 26972 1 . GLU 101 101 26972 1 . ILE 102 102 26972 1 . ILE 103 103 26972 1 . LYS 104 104 26972 1 . THR 105 105 26972 1 . GLU 106 106 26972 1 . ARG 107 107 26972 1 . ARG 108 108 26972 1 . GLY 109 109 26972 1 . TRP 110 110 26972 1 . GLY 111 111 26972 1 . LEU 112 112 26972 1 . ARG 113 113 26972 1 . THR 114 114 26972 1 . LYS 115 115 26972 1 . ARG 116 116 26972 1 . SER 117 117 26972 1 . ILE 118 118 26972 1 . LYS 119 119 26972 1 . LYS 120 120 26972 1 . GLY 121 121 26972 1 . GLU 122 122 26972 1 . PHE 123 123 26972 1 . VAL 124 124 26972 1 . ASN 125 125 26972 1 . GLU 126 126 26972 1 . TYR 127 127 26972 1 . VAL 128 128 26972 1 . GLY 129 129 26972 1 . GLU 130 130 26972 1 . LEU 131 131 26972 1 . ILE 132 132 26972 1 . ASP 133 133 26972 1 . GLU 134 134 26972 1 . GLU 135 135 26972 1 . GLU 136 136 26972 1 . CYS 137 137 26972 1 . ARG 138 138 26972 1 . LEU 139 139 26972 1 . ARG 140 140 26972 1 . ILE 141 141 26972 1 . LYS 142 142 26972 1 . ARG 143 143 26972 1 . ALA 144 144 26972 1 . HIS 145 145 26972 1 . GLU 146 146 26972 1 . ASN 147 147 26972 1 . SER 148 148 26972 1 . VAL 149 149 26972 1 . THR 150 150 26972 1 . ASN 151 151 26972 1 . PHE 152 152 26972 1 . TYR 153 153 26972 1 . MET 154 154 26972 1 . LEU 155 155 26972 1 . THR 156 156 26972 1 . VAL 157 157 26972 1 . THR 158 158 26972 1 . LYS 159 159 26972 1 . ASP 160 160 26972 1 . ARG 161 161 26972 1 . ILE 162 162 26972 1 . ILE 163 163 26972 1 . ASP 164 164 26972 1 . ALA 165 165 26972 1 . GLY 166 166 26972 1 . PRO 167 167 26972 1 . LYS 168 168 26972 1 . GLY 169 169 26972 1 . ASN 170 170 26972 1 . TYR 171 171 26972 1 . SER 172 172 26972 1 . ARG 173 173 26972 1 . PHE 174 174 26972 1 . MET 175 175 26972 1 . ASN 176 176 26972 1 . HIS 177 177 26972 1 . SER 178 178 26972 1 . CYS 179 179 26972 1 . ASN 180 180 26972 1 . PRO 181 181 26972 1 . ASN 182 182 26972 1 . CYS 183 183 26972 1 . GLU 184 184 26972 1 . THR 185 185 26972 1 . GLN 186 186 26972 1 . LYS 187 187 26972 1 . TRP 188 188 26972 1 . THR 189 189 26972 1 . VAL 190 190 26972 1 . ASN 191 191 26972 1 . GLY 192 192 26972 1 . ASP 193 193 26972 1 . VAL 194 194 26972 1 . ARG 195 195 26972 1 . VAL 196 196 26972 1 . GLY 197 197 26972 1 . LEU 198 198 26972 1 . PHE 199 199 26972 1 . ALA 200 200 26972 1 . LEU 201 201 26972 1 . CYS 202 202 26972 1 . ASP 203 203 26972 1 . ILE 204 204 26972 1 . PRO 205 205 26972 1 . ALA 206 206 26972 1 . GLY 207 207 26972 1 . MET 208 208 26972 1 . GLU 209 209 26972 1 . LEU 210 210 26972 1 . THR 211 211 26972 1 . PHE 212 212 26972 1 . ASN 213 213 26972 1 . TYR 214 214 26972 1 . ASN 215 215 26972 1 . LEU 216 216 26972 1 . ASP 217 217 26972 1 . CYS 218 218 26972 1 . LEU 219 219 26972 1 . GLY 220 220 26972 1 . ASN 221 221 26972 1 . GLY 222 222 26972 1 . ARG 223 223 26972 1 . THR 224 224 26972 1 . GLU 225 225 26972 1 . CYS 226 226 26972 1 . HIS 227 227 26972 1 . CYS 228 228 26972 1 . GLY 229 229 26972 1 . ALA 230 230 26972 1 . ASP 231 231 26972 1 . ASN 232 232 26972 1 . CYS 233 233 26972 1 . SER 234 234 26972 1 . GLY 235 235 26972 1 . PHE 236 236 26972 1 . LEU 237 237 26972 1 . GLY 238 238 26972 1 . VAL 239 239 26972 1 . ARG 240 240 26972 1 . PRO 241 241 26972 1 . LYS 242 242 26972 1 . SER 243 243 26972 1 . ALA 244 244 26972 1 . CYS 245 245 26972 1 . ALA 246 246 26972 1 . SER 247 247 26972 1 . THR 248 248 26972 1 . ASN 249 249 26972 1 . GLU 250 250 26972 1 . GLU 251 251 26972 1 . LYS 252 252 26972 1 . HIS 253 253 26972 1 . HIS 254 254 26972 1 . HIS 255 255 26972 1 . HIS 256 256 26972 1 . HIS 257 257 26972 1 . HIS 258 258 26972 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26972 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SET_domain_of_human_methyltransferase_NSD3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26972 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26972 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SET_domain_of_human_methyltransferase_NSD3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET29b . . . 26972 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SAM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SAM _Chem_comp.Entry_ID 26972 _Chem_comp.ID SAM _Chem_comp.Provenance PDB _Chem_comp.Name S-ADENOSYLMETHIONINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code SAM _Chem_comp.PDB_code SAM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SAM _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 27 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C15 H22 N6 O5 S' _Chem_comp.Formula_weight 398.437 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CMC _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O SMILES 'OpenEye OEToolkits' 1.5.0 26972 SAM C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 SMILES CACTVS 3.341 26972 SAM C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26972 SAM C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 SMILES_CANONICAL CACTVS 3.341 26972 SAM ; InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 ; InChI InChI 1.03 26972 SAM MEFKEPWMEQBLKI-FCKMPRQPSA-N InChIKey InChI 1.03 26972 SAM [O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 26972 SAM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26972 SAM ; (2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name) ; 'SYSTEMATIC NAME' ACDLabs 10.04 26972 SAM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -27.077 . 24.904 . 45.687 . -6.815 -0.436 0.939 1 . 26972 SAM CA CA CA CA . C . . S 0 . . . 1 no no . . . . -28.110 . 25.968 . 45.360 . -6.177 0.858 0.661 2 . 26972 SAM C C C C . C . . N 0 . . . 1 no no . . . . -29.216 . 25.950 . 46.423 . -7.164 1.767 -0.026 3 . 26972 SAM O O O O . O . . N 0 . . . 1 no no . . . . -29.253 . 24.910 . 47.107 . -8.035 1.295 -0.737 4 . 26972 SAM OXT OXT OXT OXT . O . . N -1 . . . 1 no no . . . . -30.029 . 26.837 . 46.753 . -7.091 2.974 0.130 5 . 26972 SAM CB CB CB CB . C . . N 0 . . . 1 no no . . . . -28.628 . 25.736 . 43.935 . -4.964 0.644 -0.246 6 . 26972 SAM CG CG CG CG . C . . N 0 . . . 1 no no . . . . -29.842 . 26.488 . 43.429 . -3.908 -0.176 0.499 7 . 26972 SAM SD SD SD SD . S . . S 1 . . . 1 no no . . . . -29.737 . 28.269 . 43.836 . -2.469 -0.429 -0.576 8 . 26972 SAM CE CE CE CE . C . . N 0 . . . 1 no no . . . . -31.441 . 28.679 . 44.165 . -3.103 -1.751 -1.644 9 . 26972 SAM C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . -29.475 . 28.953 . 42.169 . -1.413 -1.400 0.534 10 . 26972 SAM C4' C4' C4' C4* . C . . S 0 . . . 1 no no . . . . -29.572 . 30.475 . 42.206 . -0.103 -1.741 -0.177 11 . 26972 SAM O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . -29.031 . 30.956 . 43.442 . 0.656 -0.542 -0.407 12 . 26972 SAM C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . -28.682 . 31.245 . 41.233 . 0.752 -2.664 0.713 13 . 26972 SAM O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . -29.371 . 31.423 . 40.002 . 1.004 -3.909 0.058 14 . 26972 SAM C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . -28.546 . 32.662 . 41.810 . 2.075 -1.877 0.910 15 . 26972 SAM O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . -29.244 . 33.644 . 41.146 . 3.203 -2.751 0.832 16 . 26972 SAM C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . -28.874 . 32.379 . 43.239 . 2.050 -0.896 -0.290 17 . 26972 SAM N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . -27.744 . 32.757 . 44.049 . 2.862 0.290 -0.006 18 . 26972 SAM C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -27.998 . 33.524 . 45.159 . 2.426 1.448 0.567 19 . 26972 SAM N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . -26.868 . 33.759 . 45.806 . 3.411 2.292 0.670 20 . 26972 SAM C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -25.877 . 33.152 . 45.067 . 4.539 1.731 0.172 21 . 26972 SAM C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -24.477 . 33.101 . 45.296 . 5.870 2.155 0.022 22 . 26972 SAM N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . -23.850 . 33.668 . 46.347 . 6.263 3.415 0.438 23 . 26972 SAM N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . -23.815 . 32.413 . 44.412 . 6.744 1.317 -0.527 24 . 26972 SAM C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . -24.381 . 31.757 . 43.359 . 6.378 0.112 -0.925 25 . 26972 SAM N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . -25.656 . 31.812 . 43.055 . 5.143 -0.327 -0.805 26 . 26972 SAM C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -26.393 . 32.486 . 43.978 . 4.201 0.438 -0.263 27 . 26972 SAM HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . -26.341 . 24.916 . 44.980 . -7.662 -0.238 1.449 28 . 26972 SAM HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . -27.495 . 23.979 . 45.792 . -7.095 -0.819 0.048 29 . 26972 SAM HA HA HA HA . H . . N 0 . . . 1 no no . . . . -27.662 . 26.989 . 45.384 . -5.855 1.313 1.598 30 . 26972 SAM HB1 HB1 HB1 1HB . H . . N 0 . . . 1 no no . . . . -27.786 . 25.910 . 43.224 . -4.543 1.610 -0.524 31 . 26972 SAM HB2 HB2 HB2 2HB . H . . N 0 . . . 1 no no . . . . -28.812 . 24.644 . 43.802 . -5.271 0.109 -1.145 32 . 26972 SAM HG1 HG1 HG1 1HG . H . . N 0 . . . 1 no no . . . . -29.998 . 26.326 . 42.336 . -4.328 -1.142 0.778 33 . 26972 SAM HG2 HG2 HG2 2HG . H . . N 0 . . . 1 no no . . . . -30.789 . 26.037 . 43.806 . -3.600 0.359 1.398 34 . 26972 SAM HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . -31.377 . 29.764 . 44.413 . -2.339 -2.030 -2.370 35 . 26972 SAM HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . -32.153 . 28.423 . 43.346 . -3.359 -2.619 -1.035 36 . 26972 SAM HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . -31.937 . 28.047 . 44.938 . -3.992 -1.400 -2.169 37 . 26972 SAM H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . -28.513 . 28.606 . 41.722 . -1.199 -0.819 1.432 38 . 26972 SAM H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . -30.172 . 28.508 . 41.421 . -1.927 -2.320 0.811 39 . 26972 SAM H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . -30.653 . 30.641 . 41.993 . -0.314 -2.234 -1.127 40 . 26972 SAM H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . -27.715 . 30.708 . 41.087 . 0.261 -2.831 1.672 41 . 26972 SAM HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . -28.817 . 31.902 . 39.396 . 1.590 -4.416 0.637 42 . 26972 SAM H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . -27.549 . 33.148 . 41.689 . 2.069 -1.336 1.856 43 . 26972 SAM HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . -29.159 . 34.520 . 41.502 . 3.160 -3.333 1.603 44 . 26972 SAM H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . -29.805 . 32.932 . 43.503 . 2.399 -1.390 -1.197 45 . 26972 SAM H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -28.980 . 33.901 . 45.487 . 1.412 1.637 0.887 46 . 26972 SAM HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . -22.844 . 33.631 . 46.511 . 5.616 4.017 0.837 47 . 26972 SAM HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . -24.300 . 33.308 . 47.188 . 7.185 3.696 0.329 48 . 26972 SAM H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -23.756 . 31.131 . 42.699 . 7.120 -0.537 -1.367 49 . 26972 SAM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 26972 SAM 2 . SING N HN1 no N 2 . 26972 SAM 3 . SING N HN2 no N 3 . 26972 SAM 4 . SING CA C no N 4 . 26972 SAM 5 . SING CA CB no N 5 . 26972 SAM 6 . SING CA HA no N 6 . 26972 SAM 7 . DOUB C O no N 7 . 26972 SAM 8 . SING C OXT no N 8 . 26972 SAM 9 . SING CB CG no N 9 . 26972 SAM 10 . SING CB HB1 no N 10 . 26972 SAM 11 . SING CB HB2 no N 11 . 26972 SAM 12 . SING CG SD no N 12 . 26972 SAM 13 . SING CG HG1 no N 13 . 26972 SAM 14 . SING CG HG2 no N 14 . 26972 SAM 15 . SING SD CE no N 15 . 26972 SAM 16 . SING SD C5' no N 16 . 26972 SAM 17 . SING CE HE1 no N 17 . 26972 SAM 18 . SING CE HE2 no N 18 . 26972 SAM 19 . SING CE HE3 no N 19 . 26972 SAM 20 . SING C5' C4' no N 20 . 26972 SAM 21 . SING C5' H5'1 no N 21 . 26972 SAM 22 . SING C5' H5'2 no N 22 . 26972 SAM 23 . SING C4' O4' no N 23 . 26972 SAM 24 . SING C4' C3' no N 24 . 26972 SAM 25 . SING C4' H4' no N 25 . 26972 SAM 26 . SING O4' C1' no N 26 . 26972 SAM 27 . SING C3' O3' no N 27 . 26972 SAM 28 . SING C3' C2' no N 28 . 26972 SAM 29 . SING C3' H3' no N 29 . 26972 SAM 30 . SING O3' HO3' no N 30 . 26972 SAM 31 . SING C2' O2' no N 31 . 26972 SAM 32 . SING C2' C1' no N 32 . 26972 SAM 33 . SING C2' H2' no N 33 . 26972 SAM 34 . SING O2' HO2' no N 34 . 26972 SAM 35 . SING C1' N9 no N 35 . 26972 SAM 36 . SING C1' H1' no N 36 . 26972 SAM 37 . SING N9 C8 yes N 37 . 26972 SAM 38 . SING N9 C4 yes N 38 . 26972 SAM 39 . DOUB C8 N7 yes N 39 . 26972 SAM 40 . SING C8 H8 no N 40 . 26972 SAM 41 . SING N7 C5 yes N 41 . 26972 SAM 42 . SING C5 C6 yes N 42 . 26972 SAM 43 . DOUB C5 C4 yes N 43 . 26972 SAM 44 . SING C6 N6 no N 44 . 26972 SAM 45 . DOUB C6 N1 yes N 45 . 26972 SAM 46 . SING N6 HN61 no N 46 . 26972 SAM 47 . SING N6 HN62 no N 47 . 26972 SAM 48 . SING N1 C2 yes N 48 . 26972 SAM 49 . DOUB C2 N3 yes N 49 . 26972 SAM 50 . SING C2 H2 no N 50 . 26972 SAM 51 . SING N3 C4 yes N 51 . 26972 SAM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26972 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, pH 6.5, 150 mM NaCl, 1 mM DTT.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SET domain of human methyltransferase NSD3' '[U-13C; U-15N; U-2H]' . . 1 $SET_domain_of_human_methyltransferase_NSD3 . . 0.5 . . mM . . . . 26972 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26972 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26972 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26972 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26972 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 26972 1 pH 6.5 . pH 26972 1 pressure 1 . atm 26972 1 temperature 298 . K 26972 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26972 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26972 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26972 1 'Johnson, One Moon Scientific' . . 26972 1 'Keller and Wuthrich' . . 26972 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26972 1 processing 26972 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26972 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26972 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26972 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26972 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26972 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26972 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal direct 0.251449530 . . . . . 26972 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 1.000000000 . . . . . 26972 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal direct 0.101329118 . . . . . 26972 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26972 1 2 '3D HNCACB' . . . 26972 1 4 '3D HNCA' . . . 26972 1 6 '3D HNCO' . . . 26972 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 26972 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLN C C 13 175.794 0.300 . 1 . . . . . 1054 GLN C . 26972 1 2 . 1 1 7 7 GLN CA C 13 55.490 0.300 . 1 . . . . . 1054 GLN CA . 26972 1 3 . 1 1 7 7 GLN CB C 13 28.610 0.300 . 1 . . . . . 1054 GLN CB . 26972 1 4 . 1 1 8 8 ARG H H 1 8.501 0.020 . 1 . . . . . 1055 ARG H . 26972 1 5 . 1 1 8 8 ARG C C 13 176.232 0.300 . 1 . . . . . 1055 ARG C . 26972 1 6 . 1 1 8 8 ARG CA C 13 55.833 0.300 . 1 . . . . . 1055 ARG CA . 26972 1 7 . 1 1 8 8 ARG CB C 13 29.674 0.300 . 1 . . . . . 1055 ARG CB . 26972 1 8 . 1 1 8 8 ARG N N 15 123.629 0.300 . 1 . . . . . 1055 ARG N . 26972 1 9 . 1 1 9 9 GLU H H 1 8.541 0.020 . 1 . . . . . 1056 GLU H . 26972 1 10 . 1 1 9 9 GLU C C 13 176.412 0.300 . 1 . . . . . 1056 GLU C . 26972 1 11 . 1 1 9 9 GLU CA C 13 56.039 0.300 . 1 . . . . . 1056 GLU CA . 26972 1 12 . 1 1 9 9 GLU CB C 13 29.332 0.300 . 1 . . . . . 1056 GLU CB . 26972 1 13 . 1 1 9 9 GLU N N 15 122.981 0.300 . 1 . . . . . 1056 GLU N . 26972 1 14 . 1 1 10 10 SER H H 1 8.337 0.020 . 1 . . . . . 1057 SER H . 26972 1 15 . 1 1 10 10 SER C C 13 174.380 0.300 . 1 . . . . . 1057 SER C . 26972 1 16 . 1 1 10 10 SER CA C 13 57.756 0.300 . 1 . . . . . 1057 SER CA . 26972 1 17 . 1 1 10 10 SER CB C 13 63.210 0.300 . 1 . . . . . 1057 SER CB . 26972 1 18 . 1 1 10 10 SER N N 15 117.858 0.300 . 1 . . . . . 1057 SER N . 26972 1 19 . 1 1 11 11 LYS H H 1 8.607 0.020 . 1 . . . . . 1058 LYS H . 26972 1 20 . 1 1 11 11 LYS C C 13 177.142 0.300 . 1 . . . . . 1058 LYS C . 26972 1 21 . 1 1 11 11 LYS CA C 13 56.554 0.300 . 1 . . . . . 1058 LYS CA . 26972 1 22 . 1 1 11 11 LYS CB C 13 31.717 0.300 . 1 . . . . . 1058 LYS CB . 26972 1 23 . 1 1 11 11 LYS N N 15 124.506 0.300 . 1 . . . . . 1058 LYS N . 26972 1 24 . 1 1 12 12 GLU H H 1 8.448 0.020 . 1 . . . . . 1059 GLU H . 26972 1 25 . 1 1 12 12 GLU C C 13 176.839 0.300 . 1 . . . . . 1059 GLU C . 26972 1 26 . 1 1 12 12 GLU CA C 13 56.898 0.300 . 1 . . . . . 1059 GLU CA . 26972 1 27 . 1 1 12 12 GLU CB C 13 28.952 0.300 . 1 . . . . . 1059 GLU CB . 26972 1 28 . 1 1 12 12 GLU N N 15 121.785 0.300 . 1 . . . . . 1059 GLU N . 26972 1 29 . 1 1 13 13 ALA H H 1 8.169 0.020 . 1 . . . . . 1060 ALA H . 26972 1 30 . 1 1 13 13 ALA C C 13 178.422 0.300 . 1 . . . . . 1060 ALA C . 26972 1 31 . 1 1 13 13 ALA CA C 13 52.639 0.300 . 1 . . . . . 1060 ALA CA . 26972 1 32 . 1 1 13 13 ALA CB C 13 17.915 0.300 . 1 . . . . . 1060 ALA CB . 26972 1 33 . 1 1 13 13 ALA N N 15 124.873 0.300 . 1 . . . . . 1060 ALA N . 26972 1 34 . 1 1 14 14 LEU H H 1 8.041 0.020 . 1 . . . . . 1061 LEU H . 26972 1 35 . 1 1 14 14 LEU C C 13 178.118 0.300 . 1 . . . . . 1061 LEU C . 26972 1 36 . 1 1 14 14 LEU CA C 13 55.359 0.300 . 1 . . . . . 1061 LEU CA . 26972 1 37 . 1 1 14 14 LEU CB C 13 41.183 0.300 . 1 . . . . . 1061 LEU CB . 26972 1 38 . 1 1 14 14 LEU N N 15 121.048 0.300 . 1 . . . . . 1061 LEU N . 26972 1 39 . 1 1 15 15 GLU H H 1 8.152 0.020 . 1 . . . . . 1062 GLU H . 26972 1 40 . 1 1 15 15 GLU C C 13 177.074 0.300 . 1 . . . . . 1062 GLU C . 26972 1 41 . 1 1 15 15 GLU CA C 13 56.726 0.300 . 1 . . . . . 1062 GLU CA . 26972 1 42 . 1 1 15 15 GLU CB C 13 28.847 0.300 . 1 . . . . . 1062 GLU CB . 26972 1 43 . 1 1 15 15 GLU N N 15 121.802 0.300 . 1 . . . . . 1062 GLU N . 26972 1 44 . 1 1 16 16 ILE H H 1 7.934 0.020 . 1 . . . . . 1063 ILE H . 26972 1 45 . 1 1 16 16 ILE C C 13 177.310 0.300 . 1 . . . . . 1063 ILE C . 26972 1 46 . 1 1 16 16 ILE CA C 13 61.798 0.300 . 1 . . . . . 1063 ILE CA . 26972 1 47 . 1 1 16 16 ILE CB C 13 37.488 0.300 . 1 . . . . . 1063 ILE CB . 26972 1 48 . 1 1 16 16 ILE N N 15 121.453 0.300 . 1 . . . . . 1063 ILE N . 26972 1 49 . 1 1 17 17 GLU H H 1 8.210 0.020 . 1 . . . . . 1064 GLU H . 26972 1 50 . 1 1 17 17 GLU C C 13 177.512 0.300 . 1 . . . . . 1064 GLU C . 26972 1 51 . 1 1 17 17 GLU CA C 13 57.069 0.300 . 1 . . . . . 1064 GLU CA . 26972 1 52 . 1 1 17 17 GLU CB C 13 28.876 0.300 . 1 . . . . . 1064 GLU CB . 26972 1 53 . 1 1 17 17 GLU N N 15 123.785 0.300 . 1 . . . . . 1064 GLU N . 26972 1 54 . 1 1 18 18 LYS H H 1 8.190 0.020 . 1 . . . . . 1065 LYS H . 26972 1 55 . 1 1 18 18 LYS C C 13 177.377 0.300 . 1 . . . . . 1065 LYS C . 26972 1 56 . 1 1 18 18 LYS CA C 13 57.183 0.300 . 1 . . . . . 1065 LYS CA . 26972 1 57 . 1 1 18 18 LYS CB C 13 31.592 0.300 . 1 . . . . . 1065 LYS CB . 26972 1 58 . 1 1 18 18 LYS N N 15 122.059 0.300 . 1 . . . . . 1065 LYS N . 26972 1 59 . 1 1 19 19 ASN H H 1 8.273 0.020 . 1 . . . . . 1066 ASN H . 26972 1 60 . 1 1 19 19 ASN C C 13 175.559 0.300 . 1 . . . . . 1066 ASN C . 26972 1 61 . 1 1 19 19 ASN CA C 13 53.257 0.300 . 1 . . . . . 1066 ASN CA . 26972 1 62 . 1 1 19 19 ASN CB C 13 38.156 0.300 . 1 . . . . . 1066 ASN CB . 26972 1 63 . 1 1 19 19 ASN N N 15 118.406 0.300 . 1 . . . . . 1066 ASN N . 26972 1 64 . 1 1 20 20 SER H H 1 8.074 0.020 . 1 . . . . . 1067 SER H . 26972 1 65 . 1 1 20 20 SER C C 13 174.789 0.300 . 1 . . . . . 1067 SER C . 26972 1 66 . 1 1 20 20 SER CA C 13 58.512 0.300 . 1 . . . . . 1067 SER CA . 26972 1 67 . 1 1 20 20 SER CB C 13 63.079 0.300 . 1 . . . . . 1067 SER CB . 26972 1 68 . 1 1 20 20 SER N N 15 116.206 0.300 . 1 . . . . . 1067 SER N . 26972 1 69 . 1 1 21 21 ARG H H 1 8.238 0.020 . 1 . . . . . 1068 ARG H . 26972 1 70 . 1 1 21 21 ARG C C 13 175.668 0.300 . 1 . . . . . 1068 ARG C . 26972 1 71 . 1 1 21 21 ARG CA C 13 55.967 0.300 . 1 . . . . . 1068 ARG CA . 26972 1 72 . 1 1 21 21 ARG CB C 13 29.497 0.300 . 1 . . . . . 1068 ARG CB . 26972 1 73 . 1 1 21 21 ARG N N 15 122.440 0.300 . 1 . . . . . 1068 ARG N . 26972 1 74 . 1 1 25 25 PRO C C 13 175.808 0.300 . 1 . . . . . 1072 PRO C . 26972 1 75 . 1 1 25 25 PRO CA C 13 62.865 0.300 . 1 . . . . . 1072 PRO CA . 26972 1 76 . 1 1 25 25 PRO CB C 13 31.748 0.300 . 1 . . . . . 1072 PRO CB . 26972 1 77 . 1 1 26 26 TYR H H 1 7.636 0.020 . 1 . . . . . 1073 TYR H . 26972 1 78 . 1 1 26 26 TYR C C 13 172.662 0.300 . 1 . . . . . 1073 TYR C . 26972 1 79 . 1 1 26 26 TYR CA C 13 55.264 0.300 . 1 . . . . . 1073 TYR CA . 26972 1 80 . 1 1 26 26 TYR CB C 13 39.290 0.300 . 1 . . . . . 1073 TYR CB . 26972 1 81 . 1 1 26 26 TYR N N 15 118.232 0.300 . 1 . . . . . 1073 TYR N . 26972 1 82 . 1 1 27 27 LYS H H 1 7.695 0.020 . 1 . . . . . 1074 LYS H . 26972 1 83 . 1 1 27 27 LYS C C 13 173.848 0.300 . 1 . . . . . 1074 LYS C . 26972 1 84 . 1 1 27 27 LYS CA C 13 54.425 0.300 . 1 . . . . . 1074 LYS CA . 26972 1 85 . 1 1 27 27 LYS CB C 13 31.341 0.300 . 1 . . . . . 1074 LYS CB . 26972 1 86 . 1 1 27 27 LYS N N 15 121.686 0.300 . 1 . . . . . 1074 LYS N . 26972 1 87 . 1 1 28 28 HIS H H 1 8.439 0.020 . 1 . . . . . 1075 HIS H . 26972 1 88 . 1 1 28 28 HIS C C 13 176.422 0.300 . 1 . . . . . 1075 HIS C . 26972 1 89 . 1 1 28 28 HIS CA C 13 55.325 0.300 . 1 . . . . . 1075 HIS CA . 26972 1 90 . 1 1 28 28 HIS CB C 13 30.043 0.300 . 1 . . . . . 1075 HIS CB . 26972 1 91 . 1 1 28 28 HIS N N 15 129.722 0.300 . 1 . . . . . 1075 HIS N . 26972 1 92 . 1 1 29 29 ILE H H 1 8.010 0.020 . 1 . . . . . 1076 ILE H . 26972 1 93 . 1 1 29 29 ILE C C 13 174.196 0.300 . 1 . . . . . 1076 ILE C . 26972 1 94 . 1 1 29 29 ILE CA C 13 59.190 0.300 . 1 . . . . . 1076 ILE CA . 26972 1 95 . 1 1 29 29 ILE CB C 13 40.825 0.300 . 1 . . . . . 1076 ILE CB . 26972 1 96 . 1 1 29 29 ILE N N 15 123.446 0.300 . 1 . . . . . 1076 ILE N . 26972 1 97 . 1 1 30 30 LYS H H 1 8.271 0.020 . 1 . . . . . 1077 LYS H . 26972 1 98 . 1 1 30 30 LYS C C 13 177.012 0.300 . 1 . . . . . 1077 LYS C . 26972 1 99 . 1 1 30 30 LYS CA C 13 55.893 0.300 . 1 . . . . . 1077 LYS CA . 26972 1 100 . 1 1 30 30 LYS CB C 13 33.357 0.300 . 1 . . . . . 1077 LYS CB . 26972 1 101 . 1 1 30 30 LYS N N 15 115.987 0.300 . 1 . . . . . 1077 LYS N . 26972 1 102 . 1 1 31 31 ALA H H 1 7.484 0.020 . 1 . . . . . 1078 ALA H . 26972 1 103 . 1 1 31 31 ALA C C 13 174.792 0.300 . 1 . . . . . 1078 ALA C . 26972 1 104 . 1 1 31 31 ALA CA C 13 50.029 0.300 . 1 . . . . . 1078 ALA CA . 26972 1 105 . 1 1 31 31 ALA CB C 13 21.705 0.300 . 1 . . . . . 1078 ALA CB . 26972 1 106 . 1 1 31 31 ALA N N 15 122.316 0.300 . 1 . . . . . 1078 ALA N . 26972 1 107 . 1 1 32 32 ASN H H 1 8.438 0.020 . 1 . . . . . 1079 ASN H . 26972 1 108 . 1 1 32 32 ASN C C 13 175.764 0.300 . 1 . . . . . 1079 ASN C . 26972 1 109 . 1 1 32 32 ASN CA C 13 53.798 0.300 . 1 . . . . . 1079 ASN CA . 26972 1 110 . 1 1 32 32 ASN CB C 13 38.149 0.300 . 1 . . . . . 1079 ASN CB . 26972 1 111 . 1 1 32 32 ASN N N 15 116.923 0.300 . 1 . . . . . 1079 ASN N . 26972 1 112 . 1 1 33 33 LYS H H 1 8.080 0.020 . 1 . . . . . 1080 LYS H . 26972 1 113 . 1 1 33 33 LYS C C 13 175.477 0.300 . 1 . . . . . 1080 LYS C . 26972 1 114 . 1 1 33 33 LYS CA C 13 52.666 0.300 . 1 . . . . . 1080 LYS CA . 26972 1 115 . 1 1 33 33 LYS CB C 13 33.595 0.300 . 1 . . . . . 1080 LYS CB . 26972 1 116 . 1 1 33 33 LYS N N 15 121.486 0.300 . 1 . . . . . 1080 LYS N . 26972 1 117 . 1 1 34 34 VAL H H 1 8.521 0.020 . 1 . . . . . 1081 VAL H . 26972 1 118 . 1 1 34 34 VAL C C 13 175.572 0.300 . 1 . . . . . 1081 VAL C . 26972 1 119 . 1 1 34 34 VAL CA C 13 62.715 0.300 . 1 . . . . . 1081 VAL CA . 26972 1 120 . 1 1 34 34 VAL CB C 13 31.287 0.300 . 1 . . . . . 1081 VAL CB . 26972 1 121 . 1 1 34 34 VAL N N 15 123.224 0.300 . 1 . . . . . 1081 VAL N . 26972 1 122 . 1 1 35 35 ILE H H 1 8.269 0.020 . 1 . . . . . 1082 ILE H . 26972 1 123 . 1 1 35 35 ILE C C 13 177.366 0.300 . 1 . . . . . 1082 ILE C . 26972 1 124 . 1 1 35 35 ILE CA C 13 57.773 0.300 . 1 . . . . . 1082 ILE CA . 26972 1 125 . 1 1 35 35 ILE CB C 13 37.175 0.300 . 1 . . . . . 1082 ILE CB . 26972 1 126 . 1 1 35 35 ILE N N 15 125.974 0.300 . 1 . . . . . 1082 ILE N . 26972 1 127 . 1 1 36 36 GLY H H 1 8.559 0.020 . 1 . . . . . 1083 GLY H . 26972 1 128 . 1 1 36 36 GLY C C 13 175.123 0.300 . 1 . . . . . 1083 GLY C . 26972 1 129 . 1 1 36 36 GLY CA C 13 45.642 0.300 . 1 . . . . . 1083 GLY CA . 26972 1 130 . 1 1 36 36 GLY N N 15 114.320 0.300 . 1 . . . . . 1083 GLY N . 26972 1 131 . 1 1 37 37 LYS H H 1 9.006 0.020 . 1 . . . . . 1084 LYS H . 26972 1 132 . 1 1 37 37 LYS C C 13 176.611 0.300 . 1 . . . . . 1084 LYS C . 26972 1 133 . 1 1 37 37 LYS CA C 13 56.089 0.300 . 1 . . . . . 1084 LYS CA . 26972 1 134 . 1 1 37 37 LYS CB C 13 31.395 0.300 . 1 . . . . . 1084 LYS CB . 26972 1 135 . 1 1 37 37 LYS N N 15 125.152 0.300 . 1 . . . . . 1084 LYS N . 26972 1 136 . 1 1 38 38 VAL H H 1 7.421 0.020 . 1 . . . . . 1085 VAL H . 26972 1 137 . 1 1 38 38 VAL C C 13 174.722 0.300 . 1 . . . . . 1085 VAL C . 26972 1 138 . 1 1 38 38 VAL CA C 13 63.294 0.300 . 1 . . . . . 1085 VAL CA . 26972 1 139 . 1 1 38 38 VAL CB C 13 31.224 0.300 . 1 . . . . . 1085 VAL CB . 26972 1 140 . 1 1 38 38 VAL N N 15 122.283 0.300 . 1 . . . . . 1085 VAL N . 26972 1 141 . 1 1 39 39 GLN H H 1 8.189 0.020 . 1 . . . . . 1086 GLN H . 26972 1 142 . 1 1 39 39 GLN C C 13 175.690 0.300 . 1 . . . . . 1086 GLN C . 26972 1 143 . 1 1 39 39 GLN CA C 13 53.944 0.300 . 1 . . . . . 1086 GLN CA . 26972 1 144 . 1 1 39 39 GLN CB C 13 30.485 0.300 . 1 . . . . . 1086 GLN CB . 26972 1 145 . 1 1 39 39 GLN N N 15 124.579 0.300 . 1 . . . . . 1086 GLN N . 26972 1 146 . 1 1 40 40 ILE H H 1 8.354 0.020 . 1 . . . . . 1087 ILE H . 26972 1 147 . 1 1 40 40 ILE C C 13 176.209 0.300 . 1 . . . . . 1087 ILE C . 26972 1 148 . 1 1 40 40 ILE CA C 13 60.229 0.300 . 1 . . . . . 1087 ILE CA . 26972 1 149 . 1 1 40 40 ILE CB C 13 37.998 0.300 . 1 . . . . . 1087 ILE CB . 26972 1 150 . 1 1 40 40 ILE N N 15 123.842 0.300 . 1 . . . . . 1087 ILE N . 26972 1 151 . 1 1 41 41 GLN H H 1 8.695 0.020 . 1 . . . . . 1088 GLN H . 26972 1 152 . 1 1 41 41 GLN C C 13 174.533 0.300 . 1 . . . . . 1088 GLN C . 26972 1 153 . 1 1 41 41 GLN CA C 13 54.636 0.300 . 1 . . . . . 1088 GLN CA . 26972 1 154 . 1 1 41 41 GLN CB C 13 29.114 0.300 . 1 . . . . . 1088 GLN CB . 26972 1 155 . 1 1 41 41 GLN N N 15 128.095 0.300 . 1 . . . . . 1088 GLN N . 26972 1 156 . 1 1 42 42 VAL H H 1 8.175 0.020 . 1 . . . . . 1089 VAL H . 26972 1 157 . 1 1 42 42 VAL C C 13 175.643 0.300 . 1 . . . . . 1089 VAL C . 26972 1 158 . 1 1 42 42 VAL CA C 13 60.710 0.300 . 1 . . . . . 1089 VAL CA . 26972 1 159 . 1 1 42 42 VAL CB C 13 32.769 0.300 . 1 . . . . . 1089 VAL CB . 26972 1 160 . 1 1 42 42 VAL N N 15 121.088 0.300 . 1 . . . . . 1089 VAL N . 26972 1 161 . 1 1 43 43 ALA H H 1 7.506 0.020 . 1 . . . . . 1090 ALA H . 26972 1 162 . 1 1 43 43 ALA C C 13 177.603 0.300 . 1 . . . . . 1090 ALA C . 26972 1 163 . 1 1 43 43 ALA CA C 13 51.059 0.300 . 1 . . . . . 1090 ALA CA . 26972 1 164 . 1 1 43 43 ALA CB C 13 18.494 0.300 . 1 . . . . . 1090 ALA CB . 26972 1 165 . 1 1 43 43 ALA N N 15 128.819 0.300 . 1 . . . . . 1090 ALA N . 26972 1 166 . 1 1 44 44 ASP H H 1 8.426 0.020 . 1 . . . . . 1091 ASP H . 26972 1 167 . 1 1 44 44 ASP C C 13 177.434 0.300 . 1 . . . . . 1091 ASP C . 26972 1 168 . 1 1 44 44 ASP CA C 13 53.441 0.300 . 1 . . . . . 1091 ASP CA . 26972 1 169 . 1 1 44 44 ASP CB C 13 42.243 0.300 . 1 . . . . . 1091 ASP CB . 26972 1 170 . 1 1 44 44 ASP N N 15 122.129 0.300 . 1 . . . . . 1091 ASP N . 26972 1 171 . 1 1 45 45 LEU H H 1 8.350 0.020 . 1 . . . . . 1092 LEU H . 26972 1 172 . 1 1 45 45 LEU C C 13 179.019 0.300 . 1 . . . . . 1092 LEU C . 26972 1 173 . 1 1 45 45 LEU CA C 13 57.666 0.300 . 1 . . . . . 1092 LEU CA . 26972 1 174 . 1 1 45 45 LEU CB C 13 40.169 0.300 . 1 . . . . . 1092 LEU CB . 26972 1 175 . 1 1 45 45 LEU N N 15 125.222 0.300 . 1 . . . . . 1092 LEU N . 26972 1 176 . 1 1 46 46 SER H H 1 8.207 0.020 . 1 . . . . . 1093 SER H . 26972 1 177 . 1 1 46 46 SER C C 13 175.241 0.300 . 1 . . . . . 1093 SER C . 26972 1 178 . 1 1 46 46 SER CA C 13 60.092 0.300 . 1 . . . . . 1093 SER CA . 26972 1 179 . 1 1 46 46 SER CB C 13 62.419 0.300 . 1 . . . . . 1093 SER CB . 26972 1 180 . 1 1 46 46 SER N N 15 111.923 0.300 . 1 . . . . . 1093 SER N . 26972 1 181 . 1 1 47 47 GLU H H 1 7.851 0.020 . 1 . . . . . 1094 GLU H . 26972 1 182 . 1 1 47 47 GLU C C 13 176.375 0.300 . 1 . . . . . 1094 GLU C . 26972 1 183 . 1 1 47 47 GLU CA C 13 55.228 0.300 . 1 . . . . . 1094 GLU CA . 26972 1 184 . 1 1 47 47 GLU CB C 13 29.583 0.300 . 1 . . . . . 1094 GLU CB . 26972 1 185 . 1 1 47 47 GLU N N 15 120.534 0.300 . 1 . . . . . 1094 GLU N . 26972 1 186 . 1 1 48 48 ILE H H 1 7.132 0.020 . 1 . . . . . 1095 ILE H . 26972 1 187 . 1 1 48 48 ILE C C 13 173.802 0.300 . 1 . . . . . 1095 ILE C . 26972 1 188 . 1 1 48 48 ILE CA C 13 58.206 0.300 . 1 . . . . . 1095 ILE CA . 26972 1 189 . 1 1 48 48 ILE CB C 13 37.311 0.300 . 1 . . . . . 1095 ILE CB . 26972 1 190 . 1 1 48 48 ILE N N 15 124.811 0.300 . 1 . . . . . 1095 ILE N . 26972 1 191 . 1 1 49 49 PRO C C 13 174.649 0.300 . 1 . . . . . 1096 PRO C . 26972 1 192 . 1 1 49 49 PRO CA C 13 62.843 0.300 . 1 . . . . . 1096 PRO CA . 26972 1 193 . 1 1 49 49 PRO CB C 13 30.234 0.300 . 1 . . . . . 1096 PRO CB . 26972 1 194 . 1 1 50 50 ARG H H 1 8.171 0.020 . 1 . . . . . 1097 ARG H . 26972 1 195 . 1 1 50 50 ARG C C 13 176.165 0.300 . 1 . . . . . 1097 ARG C . 26972 1 196 . 1 1 50 50 ARG CA C 13 53.891 0.300 . 1 . . . . . 1097 ARG CA . 26972 1 197 . 1 1 50 50 ARG CB C 13 32.003 0.300 . 1 . . . . . 1097 ARG CB . 26972 1 198 . 1 1 50 50 ARG N N 15 122.931 0.300 . 1 . . . . . 1097 ARG N . 26972 1 199 . 1 1 51 51 CYS H H 1 8.674 0.020 . 1 . . . . . 1098 CYS H . 26972 1 200 . 1 1 51 51 CYS C C 13 172.161 0.300 . 1 . . . . . 1098 CYS C . 26972 1 201 . 1 1 51 51 CYS CA C 13 57.413 0.300 . 1 . . . . . 1098 CYS CA . 26972 1 202 . 1 1 51 51 CYS CB C 13 30.365 0.300 . 1 . . . . . 1098 CYS CB . 26972 1 203 . 1 1 51 51 CYS N N 15 126.859 0.300 . 1 . . . . . 1098 CYS N . 26972 1 204 . 1 1 52 52 ASN H H 1 8.420 0.020 . 1 . . . . . 1099 ASN H . 26972 1 205 . 1 1 52 52 ASN C C 13 176.298 0.300 . 1 . . . . . 1099 ASN C . 26972 1 206 . 1 1 52 52 ASN CA C 13 51.437 0.300 . 1 . . . . . 1099 ASN CA . 26972 1 207 . 1 1 52 52 ASN CB C 13 39.380 0.300 . 1 . . . . . 1099 ASN CB . 26972 1 208 . 1 1 52 52 ASN N N 15 113.165 0.300 . 1 . . . . . 1099 ASN N . 26972 1 209 . 1 1 53 53 CYS H H 1 9.380 0.020 . 1 . . . . . 1100 CYS H . 26972 1 210 . 1 1 53 53 CYS C C 13 173.773 0.300 . 1 . . . . . 1100 CYS C . 26972 1 211 . 1 1 53 53 CYS CA C 13 61.832 0.300 . 1 . . . . . 1100 CYS CA . 26972 1 212 . 1 1 53 53 CYS CB C 13 29.764 0.300 . 1 . . . . . 1100 CYS CB . 26972 1 213 . 1 1 53 53 CYS N N 15 126.928 0.300 . 1 . . . . . 1100 CYS N . 26972 1 214 . 1 1 54 54 LYS H H 1 8.124 0.020 . 1 . . . . . 1101 LYS H . 26972 1 215 . 1 1 54 54 LYS C C 13 175.999 0.300 . 1 . . . . . 1101 LYS C . 26972 1 216 . 1 1 54 54 LYS CA C 13 52.364 0.300 . 1 . . . . . 1101 LYS CA . 26972 1 217 . 1 1 54 54 LYS CB C 13 31.935 0.300 . 1 . . . . . 1101 LYS CB . 26972 1 218 . 1 1 54 54 LYS N N 15 118.929 0.300 . 1 . . . . . 1101 LYS N . 26972 1 219 . 1 1 55 55 PRO C C 13 176.572 0.300 . 1 . . . . . 1102 PRO C . 26972 1 220 . 1 1 55 55 PRO CA C 13 64.479 0.300 . 1 . . . . . 1102 PRO CA . 26972 1 221 . 1 1 55 55 PRO CB C 13 30.784 0.300 . 1 . . . . . 1102 PRO CB . 26972 1 222 . 1 1 56 56 ALA H H 1 7.156 0.020 . 1 . . . . . 1103 ALA H . 26972 1 223 . 1 1 56 56 ALA C C 13 177.943 0.300 . 1 . . . . . 1103 ALA C . 26972 1 224 . 1 1 56 56 ALA CA C 13 51.359 0.300 . 1 . . . . . 1103 ALA CA . 26972 1 225 . 1 1 56 56 ALA CB C 13 18.011 0.300 . 1 . . . . . 1103 ALA CB . 26972 1 226 . 1 1 56 56 ALA N N 15 115.144 0.300 . 1 . . . . . 1103 ALA N . 26972 1 227 . 1 1 57 57 ASP H H 1 7.490 0.020 . 1 . . . . . 1104 ASP H . 26972 1 228 . 1 1 57 57 ASP C C 13 175.795 0.300 . 1 . . . . . 1104 ASP C . 26972 1 229 . 1 1 57 57 ASP CA C 13 54.465 0.300 . 1 . . . . . 1104 ASP CA . 26972 1 230 . 1 1 57 57 ASP CB C 13 39.755 0.300 . 1 . . . . . 1104 ASP CB . 26972 1 231 . 1 1 57 57 ASP N N 15 120.840 0.300 . 1 . . . . . 1104 ASP N . 26972 1 232 . 1 1 58 58 GLU H H 1 8.630 0.020 . 1 . . . . . 1105 GLU H . 26972 1 233 . 1 1 58 58 GLU C C 13 177.257 0.300 . 1 . . . . . 1105 GLU C . 26972 1 234 . 1 1 58 58 GLU CA C 13 58.853 0.300 . 1 . . . . . 1105 GLU CA . 26972 1 235 . 1 1 58 58 GLU CB C 13 29.012 0.300 . 1 . . . . . 1105 GLU CB . 26972 1 236 . 1 1 58 58 GLU N N 15 120.988 0.300 . 1 . . . . . 1105 GLU N . 26972 1 237 . 1 1 59 59 ASN H H 1 8.520 0.020 . 1 . . . . . 1106 ASN H . 26972 1 238 . 1 1 59 59 ASN CA C 13 51.197 0.300 . 1 . . . . . 1106 ASN CA . 26972 1 239 . 1 1 59 59 ASN CB C 13 39.154 0.300 . 1 . . . . . 1106 ASN CB . 26972 1 240 . 1 1 59 59 ASN N N 15 116.873 0.300 . 1 . . . . . 1106 ASN N . 26972 1 241 . 1 1 60 60 PRO C C 13 176.755 0.300 . 1 . . . . . 1107 PRO C . 26972 1 242 . 1 1 60 60 PRO CA C 13 63.211 0.300 . 1 . . . . . 1107 PRO CA . 26972 1 243 . 1 1 60 60 PRO CB C 13 30.573 0.300 . 1 . . . . . 1107 PRO CB . 26972 1 244 . 1 1 61 61 CYS H H 1 8.452 0.020 . 1 . . . . . 1108 CYS H . 26972 1 245 . 1 1 61 61 CYS C C 13 176.229 0.300 . 1 . . . . . 1108 CYS C . 26972 1 246 . 1 1 61 61 CYS CA C 13 57.581 0.300 . 1 . . . . . 1108 CYS CA . 26972 1 247 . 1 1 61 61 CYS CB C 13 31.408 0.300 . 1 . . . . . 1108 CYS CB . 26972 1 248 . 1 1 61 61 CYS N N 15 119.623 0.300 . 1 . . . . . 1108 CYS N . 26972 1 249 . 1 1 62 62 GLY H H 1 8.120 0.020 . 1 . . . . . 1109 GLY H . 26972 1 250 . 1 1 62 62 GLY C C 13 175.886 0.300 . 1 . . . . . 1109 GLY C . 26972 1 251 . 1 1 62 62 GLY CA C 13 44.064 0.300 . 1 . . . . . 1109 GLY CA . 26972 1 252 . 1 1 62 62 GLY N N 15 104.874 0.300 . 1 . . . . . 1109 GLY N . 26972 1 253 . 1 1 63 63 LEU H H 1 8.741 0.020 . 1 . . . . . 1110 LEU H . 26972 1 254 . 1 1 63 63 LEU C C 13 178.263 0.300 . 1 . . . . . 1110 LEU C . 26972 1 255 . 1 1 63 63 LEU CA C 13 57.825 0.300 . 1 . . . . . 1110 LEU CA . 26972 1 256 . 1 1 63 63 LEU CB C 13 41.551 0.300 . 1 . . . . . 1110 LEU CB . 26972 1 257 . 1 1 63 63 LEU N N 15 122.323 0.300 . 1 . . . . . 1110 LEU N . 26972 1 258 . 1 1 64 64 GLU H H 1 8.783 0.020 . 1 . . . . . 1111 GLU H . 26972 1 259 . 1 1 64 64 GLU C C 13 176.046 0.300 . 1 . . . . . 1111 GLU C . 26972 1 260 . 1 1 64 64 GLU CA C 13 55.867 0.300 . 1 . . . . . 1111 GLU CA . 26972 1 261 . 1 1 64 64 GLU CB C 13 27.585 0.300 . 1 . . . . . 1111 GLU CB . 26972 1 262 . 1 1 64 64 GLU N N 15 116.551 0.300 . 1 . . . . . 1111 GLU N . 26972 1 263 . 1 1 65 65 SER H H 1 7.631 0.020 . 1 . . . . . 1112 SER H . 26972 1 264 . 1 1 65 65 SER C C 13 174.492 0.300 . 1 . . . . . 1112 SER C . 26972 1 265 . 1 1 65 65 SER CA C 13 58.615 0.300 . 1 . . . . . 1112 SER CA . 26972 1 266 . 1 1 65 65 SER CB C 13 65.298 0.300 . 1 . . . . . 1112 SER CB . 26972 1 267 . 1 1 65 65 SER N N 15 116.306 0.300 . 1 . . . . . 1112 SER N . 26972 1 268 . 1 1 66 66 GLU H H 1 8.677 0.020 . 1 . . . . . 1113 GLU H . 26972 1 269 . 1 1 66 66 GLU C C 13 174.858 0.300 . 1 . . . . . 1113 GLU C . 26972 1 270 . 1 1 66 66 GLU CA C 13 55.045 0.300 . 1 . . . . . 1113 GLU CA . 26972 1 271 . 1 1 66 66 GLU CB C 13 27.224 0.300 . 1 . . . . . 1113 GLU CB . 26972 1 272 . 1 1 66 66 GLU N N 15 120.218 0.300 . 1 . . . . . 1113 GLU N . 26972 1 273 . 1 1 67 67 CYS H H 1 7.351 0.020 . 1 . . . . . 1114 CYS H . 26972 1 274 . 1 1 67 67 CYS C C 13 178.034 0.300 . 1 . . . . . 1114 CYS C . 26972 1 275 . 1 1 67 67 CYS CA C 13 60.298 0.300 . 1 . . . . . 1114 CYS CA . 26972 1 276 . 1 1 67 67 CYS CB C 13 31.381 0.300 . 1 . . . . . 1114 CYS CB . 26972 1 277 . 1 1 67 67 CYS N N 15 120.723 0.300 . 1 . . . . . 1114 CYS N . 26972 1 278 . 1 1 68 68 LEU H H 1 8.812 0.020 . 1 . . . . . 1115 LEU H . 26972 1 279 . 1 1 68 68 LEU C C 13 178.743 0.300 . 1 . . . . . 1115 LEU C . 26972 1 280 . 1 1 68 68 LEU CA C 13 57.544 0.300 . 1 . . . . . 1115 LEU CA . 26972 1 281 . 1 1 68 68 LEU CB C 13 42.352 0.300 . 1 . . . . . 1115 LEU CB . 26972 1 282 . 1 1 68 68 LEU N N 15 132.236 0.300 . 1 . . . . . 1115 LEU N . 26972 1 283 . 1 1 69 69 ASN H H 1 8.393 0.020 . 1 . . . . . 1116 ASN H . 26972 1 284 . 1 1 69 69 ASN C C 13 178.075 0.300 . 1 . . . . . 1116 ASN C . 26972 1 285 . 1 1 69 69 ASN CA C 13 55.730 0.300 . 1 . . . . . 1116 ASN CA . 26972 1 286 . 1 1 69 69 ASN CB C 13 35.924 0.300 . 1 . . . . . 1116 ASN CB . 26972 1 287 . 1 1 69 69 ASN N N 15 120.374 0.300 . 1 . . . . . 1116 ASN N . 26972 1 288 . 1 1 70 70 ARG H H 1 7.572 0.020 . 1 . . . . . 1117 ARG H . 26972 1 289 . 1 1 70 70 ARG C C 13 180.390 0.300 . 1 . . . . . 1117 ARG C . 26972 1 290 . 1 1 70 70 ARG CA C 13 59.886 0.300 . 1 . . . . . 1117 ARG CA . 26972 1 291 . 1 1 70 70 ARG CB C 13 29.182 0.300 . 1 . . . . . 1117 ARG CB . 26972 1 292 . 1 1 70 70 ARG N N 15 123.092 0.300 . 1 . . . . . 1117 ARG N . 26972 1 293 . 1 1 71 71 MET H H 1 7.890 0.020 . 1 . . . . . 1118 MET H . 26972 1 294 . 1 1 71 71 MET C C 13 177.415 0.300 . 1 . . . . . 1118 MET C . 26972 1 295 . 1 1 71 71 MET CA C 13 58.203 0.300 . 1 . . . . . 1118 MET CA . 26972 1 296 . 1 1 71 71 MET CB C 13 31.580 0.300 . 1 . . . . . 1118 MET CB . 26972 1 297 . 1 1 71 71 MET N N 15 118.942 0.300 . 1 . . . . . 1118 MET N . 26972 1 298 . 1 1 72 72 LEU H H 1 7.141 0.020 . 1 . . . . . 1119 LEU H . 26972 1 299 . 1 1 72 72 LEU C C 13 175.452 0.300 . 1 . . . . . 1119 LEU C . 26972 1 300 . 1 1 72 72 LEU CA C 13 53.716 0.300 . 1 . . . . . 1119 LEU CA . 26972 1 301 . 1 1 72 72 LEU CB C 13 41.492 0.300 . 1 . . . . . 1119 LEU CB . 26972 1 302 . 1 1 72 72 LEU N N 15 118.462 0.300 . 1 . . . . . 1119 LEU N . 26972 1 303 . 1 1 73 73 GLN H H 1 7.364 0.020 . 1 . . . . . 1120 GLN H . 26972 1 304 . 1 1 73 73 GLN C C 13 173.328 0.300 . 1 . . . . . 1120 GLN C . 26972 1 305 . 1 1 73 73 GLN CA C 13 55.627 0.300 . 1 . . . . . 1120 GLN CA . 26972 1 306 . 1 1 73 73 GLN CB C 13 22.825 0.300 . 1 . . . . . 1120 GLN CB . 26972 1 307 . 1 1 73 73 GLN N N 15 115.177 0.300 . 1 . . . . . 1120 GLN N . 26972 1 308 . 1 1 74 74 TYR H H 1 7.949 0.020 . 1 . . . . . 1121 TYR H . 26972 1 309 . 1 1 74 74 TYR C C 13 175.737 0.300 . 1 . . . . . 1121 TYR C . 26972 1 310 . 1 1 74 74 TYR CA C 13 55.043 0.300 . 1 . . . . . 1121 TYR CA . 26972 1 311 . 1 1 74 74 TYR CB C 13 40.214 0.300 . 1 . . . . . 1121 TYR CB . 26972 1 312 . 1 1 74 74 TYR N N 15 121.894 0.300 . 1 . . . . . 1121 TYR N . 26972 1 313 . 1 1 75 75 GLU H H 1 8.444 0.020 . 1 . . . . . 1122 GLU H . 26972 1 314 . 1 1 75 75 GLU C C 13 176.351 0.300 . 1 . . . . . 1122 GLU C . 26972 1 315 . 1 1 75 75 GLU CA C 13 56.966 0.300 . 1 . . . . . 1122 GLU CA . 26972 1 316 . 1 1 75 75 GLU CB C 13 30.891 0.300 . 1 . . . . . 1122 GLU CB . 26972 1 317 . 1 1 75 75 GLU N N 15 127.524 0.300 . 1 . . . . . 1122 GLU N . 26972 1 318 . 1 1 76 76 CYS H H 1 7.977 0.020 . 1 . . . . . 1123 CYS H . 26972 1 319 . 1 1 76 76 CYS C C 13 174.344 0.300 . 1 . . . . . 1123 CYS C . 26972 1 320 . 1 1 76 76 CYS CA C 13 61.362 0.300 . 1 . . . . . 1123 CYS CA . 26972 1 321 . 1 1 76 76 CYS CB C 13 32.873 0.300 . 1 . . . . . 1123 CYS CB . 26972 1 322 . 1 1 76 76 CYS N N 15 129.465 0.300 . 1 . . . . . 1123 CYS N . 26972 1 323 . 1 1 77 77 HIS H H 1 8.524 0.020 . 1 . . . . . 1124 HIS H . 26972 1 324 . 1 1 77 77 HIS CA C 13 52.880 0.300 . 1 . . . . . 1124 HIS CA . 26972 1 325 . 1 1 77 77 HIS CB C 13 34.051 0.300 . 1 . . . . . 1124 HIS CB . 26972 1 326 . 1 1 77 77 HIS N N 15 121.874 0.300 . 1 . . . . . 1124 HIS N . 26972 1 327 . 1 1 78 78 PRO C C 13 178.657 0.300 . 1 . . . . . 1125 PRO C . 26972 1 328 . 1 1 78 78 PRO CA C 13 64.110 0.300 . 1 . . . . . 1125 PRO CA . 26972 1 329 . 1 1 78 78 PRO CB C 13 30.501 0.300 . 1 . . . . . 1125 PRO CB . 26972 1 330 . 1 1 79 79 GLN H H 1 10.914 0.020 . 1 . . . . . 1126 GLN H . 26972 1 331 . 1 1 79 79 GLN C C 13 175.832 0.300 . 1 . . . . . 1126 GLN C . 26972 1 332 . 1 1 79 79 GLN CA C 13 56.280 0.300 . 1 . . . . . 1126 GLN CA . 26972 1 333 . 1 1 79 79 GLN CB C 13 28.562 0.300 . 1 . . . . . 1126 GLN CB . 26972 1 334 . 1 1 79 79 GLN N N 15 121.188 0.300 . 1 . . . . . 1126 GLN N . 26972 1 335 . 1 1 80 80 VAL H H 1 7.932 0.020 . 1 . . . . . 1127 VAL H . 26972 1 336 . 1 1 80 80 VAL C C 13 175.174 0.300 . 1 . . . . . 1127 VAL C . 26972 1 337 . 1 1 80 80 VAL CA C 13 62.481 0.300 . 1 . . . . . 1127 VAL CA . 26972 1 338 . 1 1 80 80 VAL CB C 13 33.569 0.300 . 1 . . . . . 1127 VAL CB . 26972 1 339 . 1 1 80 80 VAL N N 15 118.849 0.300 . 1 . . . . . 1127 VAL N . 26972 1 340 . 1 1 81 81 CYS H H 1 8.139 0.020 . 1 . . . . . 1128 CYS H . 26972 1 341 . 1 1 81 81 CYS C C 13 177.037 0.300 . 1 . . . . . 1128 CYS C . 26972 1 342 . 1 1 81 81 CYS CA C 13 57.883 0.300 . 1 . . . . . 1128 CYS CA . 26972 1 343 . 1 1 81 81 CYS CB C 13 28.921 0.300 . 1 . . . . . 1128 CYS CB . 26972 1 344 . 1 1 81 81 CYS N N 15 123.654 0.300 . 1 . . . . . 1128 CYS N . 26972 1 345 . 1 1 82 82 PRO C C 13 178.034 0.300 . 1 . . . . . 1129 PRO C . 26972 1 346 . 1 1 82 82 PRO CA C 13 64.034 0.300 . 1 . . . . . 1129 PRO CA . 26972 1 347 . 1 1 82 82 PRO CB C 13 31.588 0.300 . 1 . . . . . 1129 PRO CB . 26972 1 348 . 1 1 83 83 ALA H H 1 9.370 0.020 . 1 . . . . . 1130 ALA H . 26972 1 349 . 1 1 83 83 ALA C C 13 177.989 0.300 . 1 . . . . . 1130 ALA C . 26972 1 350 . 1 1 83 83 ALA CA C 13 52.021 0.300 . 1 . . . . . 1130 ALA CA . 26972 1 351 . 1 1 83 83 ALA CB C 13 18.052 0.300 . 1 . . . . . 1130 ALA CB . 26972 1 352 . 1 1 83 83 ALA N N 15 123.757 0.300 . 1 . . . . . 1130 ALA N . 26972 1 353 . 1 1 84 84 GLY H H 1 7.776 0.020 . 1 . . . . . 1131 GLY H . 26972 1 354 . 1 1 84 84 GLY C C 13 175.932 0.300 . 1 . . . . . 1131 GLY C . 26972 1 355 . 1 1 84 84 GLY CA C 13 46.354 0.300 . 1 . . . . . 1131 GLY CA . 26972 1 356 . 1 1 84 84 GLY N N 15 108.947 0.300 . 1 . . . . . 1131 GLY N . 26972 1 357 . 1 1 85 85 ASP H H 1 8.777 0.020 . 1 . . . . . 1132 ASP H . 26972 1 358 . 1 1 85 85 ASP C C 13 177.029 0.300 . 1 . . . . . 1132 ASP C . 26972 1 359 . 1 1 85 85 ASP CA C 13 55.558 0.300 . 1 . . . . . 1132 ASP CA . 26972 1 360 . 1 1 85 85 ASP CB C 13 39.680 0.300 . 1 . . . . . 1132 ASP CB . 26972 1 361 . 1 1 85 85 ASP N N 15 125.372 0.300 . 1 . . . . . 1132 ASP N . 26972 1 362 . 1 1 86 86 ARG H H 1 7.618 0.020 . 1 . . . . . 1133 ARG H . 26972 1 363 . 1 1 86 86 ARG C C 13 175.109 0.300 . 1 . . . . . 1133 ARG C . 26972 1 364 . 1 1 86 86 ARG CA C 13 55.922 0.300 . 1 . . . . . 1133 ARG CA . 26972 1 365 . 1 1 86 86 ARG CB C 13 29.564 0.300 . 1 . . . . . 1133 ARG CB . 26972 1 366 . 1 1 86 86 ARG N N 15 117.375 0.300 . 1 . . . . . 1133 ARG N . 26972 1 367 . 1 1 87 87 CYS H H 1 7.044 0.020 . 1 . . . . . 1134 CYS H . 26972 1 368 . 1 1 87 87 CYS C C 13 178.217 0.300 . 1 . . . . . 1134 CYS C . 26972 1 369 . 1 1 87 87 CYS CA C 13 61.328 0.300 . 1 . . . . . 1134 CYS CA . 26972 1 370 . 1 1 87 87 CYS CB C 13 30.380 0.300 . 1 . . . . . 1134 CYS CB . 26972 1 371 . 1 1 87 87 CYS N N 15 122.013 0.300 . 1 . . . . . 1134 CYS N . 26972 1 372 . 1 1 88 88 GLN H H 1 8.207 0.020 . 1 . . . . . 1135 GLN H . 26972 1 373 . 1 1 88 88 GLN C C 13 174.812 0.300 . 1 . . . . . 1135 GLN C . 26972 1 374 . 1 1 88 88 GLN CA C 13 55.215 0.300 . 1 . . . . . 1135 GLN CA . 26972 1 375 . 1 1 88 88 GLN CB C 13 26.640 0.300 . 1 . . . . . 1135 GLN CB . 26972 1 376 . 1 1 88 88 GLN N N 15 128.991 0.300 . 1 . . . . . 1135 GLN N . 26972 1 377 . 1 1 89 89 ASN H H 1 10.025 0.020 . 1 . . . . . 1136 ASN H . 26972 1 378 . 1 1 89 89 ASN C C 13 174.172 0.300 . 1 . . . . . 1136 ASN C . 26972 1 379 . 1 1 89 89 ASN CA C 13 51.464 0.300 . 1 . . . . . 1136 ASN CA . 26972 1 380 . 1 1 89 89 ASN CB C 13 39.004 0.300 . 1 . . . . . 1136 ASN CB . 26972 1 381 . 1 1 89 89 ASN N N 15 126.879 0.300 . 1 . . . . . 1136 ASN N . 26972 1 382 . 1 1 90 90 GLN H H 1 7.795 0.020 . 1 . . . . . 1137 GLN H . 26972 1 383 . 1 1 90 90 GLN C C 13 175.909 0.300 . 1 . . . . . 1137 GLN C . 26972 1 384 . 1 1 90 90 GLN CA C 13 54.597 0.300 . 1 . . . . . 1137 GLN CA . 26972 1 385 . 1 1 90 90 GLN CB C 13 28.336 0.300 . 1 . . . . . 1137 GLN CB . 26972 1 386 . 1 1 90 90 GLN N N 15 119.700 0.300 . 1 . . . . . 1137 GLN N . 26972 1 387 . 1 1 91 91 CYS H H 1 7.738 0.020 . 1 . . . . . 1138 CYS H . 26972 1 388 . 1 1 91 91 CYS C C 13 177.669 0.300 . 1 . . . . . 1138 CYS C . 26972 1 389 . 1 1 91 91 CYS CA C 13 62.332 0.300 . 1 . . . . . 1138 CYS CA . 26972 1 390 . 1 1 91 91 CYS CB C 13 26.149 0.300 . 1 . . . . . 1138 CYS CB . 26972 1 391 . 1 1 91 91 CYS N N 15 117.362 0.300 . 1 . . . . . 1138 CYS N . 26972 1 392 . 1 1 92 92 PHE H H 1 10.631 0.020 . 1 . . . . . 1139 PHE H . 26972 1 393 . 1 1 92 92 PHE C C 13 181.622 0.300 . 1 . . . . . 1139 PHE C . 26972 1 394 . 1 1 92 92 PHE CA C 13 60.420 0.300 . 1 . . . . . 1139 PHE CA . 26972 1 395 . 1 1 92 92 PHE CB C 13 36.986 0.300 . 1 . . . . . 1139 PHE CB . 26972 1 396 . 1 1 92 92 PHE N N 15 119.569 0.300 . 1 . . . . . 1139 PHE N . 26972 1 397 . 1 1 93 93 THR H H 1 9.861 0.020 . 1 . . . . . 1140 THR H . 26972 1 398 . 1 1 93 93 THR C C 13 176.481 0.300 . 1 . . . . . 1140 THR C . 26972 1 399 . 1 1 93 93 THR CA C 13 66.227 0.300 . 1 . . . . . 1140 THR CA . 26972 1 400 . 1 1 93 93 THR CB C 13 67.927 0.300 . 1 . . . . . 1140 THR CB . 26972 1 401 . 1 1 93 93 THR N N 15 120.102 0.300 . 1 . . . . . 1140 THR N . 26972 1 402 . 1 1 94 94 LYS H H 1 7.896 0.020 . 1 . . . . . 1141 LYS H . 26972 1 403 . 1 1 94 94 LYS C C 13 175.749 0.300 . 1 . . . . . 1141 LYS C . 26972 1 404 . 1 1 94 94 LYS CA C 13 57.658 0.300 . 1 . . . . . 1141 LYS CA . 26972 1 405 . 1 1 94 94 LYS CB C 13 31.496 0.300 . 1 . . . . . 1141 LYS CB . 26972 1 406 . 1 1 94 94 LYS N N 15 118.414 0.300 . 1 . . . . . 1141 LYS N . 26972 1 407 . 1 1 95 95 ARG H H 1 7.135 0.020 . 1 . . . . . 1142 ARG H . 26972 1 408 . 1 1 95 95 ARG C C 13 174.310 0.300 . 1 . . . . . 1142 ARG C . 26972 1 409 . 1 1 95 95 ARG CA C 13 56.417 0.300 . 1 . . . . . 1142 ARG CA . 26972 1 410 . 1 1 95 95 ARG CB C 13 25.757 0.300 . 1 . . . . . 1142 ARG CB . 26972 1 411 . 1 1 95 95 ARG N N 15 113.749 0.300 . 1 . . . . . 1142 ARG N . 26972 1 412 . 1 1 96 96 LEU H H 1 7.494 0.020 . 1 . . . . . 1143 LEU H . 26972 1 413 . 1 1 96 96 LEU C C 13 175.544 0.300 . 1 . . . . . 1143 LEU C . 26972 1 414 . 1 1 96 96 LEU CA C 13 52.777 0.300 . 1 . . . . . 1143 LEU CA . 26972 1 415 . 1 1 96 96 LEU CB C 13 39.305 0.300 . 1 . . . . . 1143 LEU CB . 26972 1 416 . 1 1 96 96 LEU N N 15 120.187 0.300 . 1 . . . . . 1143 LEU N . 26972 1 417 . 1 1 97 97 TYR H H 1 7.566 0.020 . 1 . . . . . 1144 TYR H . 26972 1 418 . 1 1 97 97 TYR C C 13 175.195 0.300 . 1 . . . . . 1144 TYR C . 26972 1 419 . 1 1 97 97 TYR CA C 13 51.418 0.300 . 1 . . . . . 1144 TYR CA . 26972 1 420 . 1 1 97 97 TYR CB C 13 37.175 0.300 . 1 . . . . . 1144 TYR CB . 26972 1 421 . 1 1 97 97 TYR N N 15 124.907 0.300 . 1 . . . . . 1144 TYR N . 26972 1 422 . 1 1 98 98 PRO C C 13 176.183 0.300 . 1 . . . . . 1145 PRO C . 26972 1 423 . 1 1 98 98 PRO CA C 13 62.356 0.300 . 1 . . . . . 1145 PRO CA . 26972 1 424 . 1 1 98 98 PRO CB C 13 30.377 0.300 . 1 . . . . . 1145 PRO CB . 26972 1 425 . 1 1 99 99 ASP H H 1 8.193 0.020 . 1 . . . . . 1146 ASP H . 26972 1 426 . 1 1 99 99 ASP C C 13 174.195 0.300 . 1 . . . . . 1146 ASP C . 26972 1 427 . 1 1 99 99 ASP CA C 13 55.387 0.300 . 1 . . . . . 1146 ASP CA . 26972 1 428 . 1 1 99 99 ASP CB C 13 40.639 0.300 . 1 . . . . . 1146 ASP CB . 26972 1 429 . 1 1 99 99 ASP N N 15 123.996 0.300 . 1 . . . . . 1146 ASP N . 26972 1 430 . 1 1 100 100 ALA H H 1 7.979 0.020 . 1 . . . . . 1147 ALA H . 26972 1 431 . 1 1 100 100 ALA C C 13 175.246 0.300 . 1 . . . . . 1147 ALA C . 26972 1 432 . 1 1 100 100 ALA CA C 13 50.544 0.300 . 1 . . . . . 1147 ALA CA . 26972 1 433 . 1 1 100 100 ALA CB C 13 21.664 0.300 . 1 . . . . . 1147 ALA CB . 26972 1 434 . 1 1 100 100 ALA N N 15 125.139 0.300 . 1 . . . . . 1147 ALA N . 26972 1 435 . 1 1 101 101 GLU H H 1 8.727 0.020 . 1 . . . . . 1148 GLU H . 26972 1 436 . 1 1 101 101 GLU C C 13 173.853 0.300 . 1 . . . . . 1148 GLU C . 26972 1 437 . 1 1 101 101 GLU CA C 13 53.463 0.300 . 1 . . . . . 1148 GLU CA . 26972 1 438 . 1 1 101 101 GLU CB C 13 32.930 0.300 . 1 . . . . . 1148 GLU CB . 26972 1 439 . 1 1 101 101 GLU N N 15 117.070 0.300 . 1 . . . . . 1148 GLU N . 26972 1 440 . 1 1 102 102 ILE H H 1 8.341 0.020 . 1 . . . . . 1149 ILE H . 26972 1 441 . 1 1 102 102 ILE C C 13 176.481 0.300 . 1 . . . . . 1149 ILE C . 26972 1 442 . 1 1 102 102 ILE CA C 13 61.073 0.300 . 1 . . . . . 1149 ILE CA . 26972 1 443 . 1 1 102 102 ILE CB C 13 37.351 0.300 . 1 . . . . . 1149 ILE CB . 26972 1 444 . 1 1 102 102 ILE N N 15 126.025 0.300 . 1 . . . . . 1149 ILE N . 26972 1 445 . 1 1 103 103 ILE H H 1 8.510 0.020 . 1 . . . . . 1150 ILE H . 26972 1 446 . 1 1 103 103 ILE C C 13 173.693 0.300 . 1 . . . . . 1150 ILE C . 26972 1 447 . 1 1 103 103 ILE CA C 13 58.076 0.300 . 1 . . . . . 1150 ILE CA . 26972 1 448 . 1 1 103 103 ILE CB C 13 41.108 0.300 . 1 . . . . . 1150 ILE CB . 26972 1 449 . 1 1 103 103 ILE N N 15 121.034 0.300 . 1 . . . . . 1150 ILE N . 26972 1 450 . 1 1 104 104 LYS H H 1 8.554 0.020 . 1 . . . . . 1151 LYS H . 26972 1 451 . 1 1 104 104 LYS C C 13 175.864 0.300 . 1 . . . . . 1151 LYS C . 26972 1 452 . 1 1 104 104 LYS CA C 13 54.928 0.300 . 1 . . . . . 1151 LYS CA . 26972 1 453 . 1 1 104 104 LYS CB C 13 31.343 0.300 . 1 . . . . . 1151 LYS CB . 26972 1 454 . 1 1 104 104 LYS N N 15 124.413 0.300 . 1 . . . . . 1151 LYS N . 26972 1 455 . 1 1 105 105 THR H H 1 7.835 0.020 . 1 . . . . . 1152 THR H . 26972 1 456 . 1 1 105 105 THR C C 13 174.081 0.300 . 1 . . . . . 1152 THR C . 26972 1 457 . 1 1 105 105 THR CA C 13 60.144 0.300 . 1 . . . . . 1152 THR CA . 26972 1 458 . 1 1 105 105 THR CB C 13 69.580 0.300 . 1 . . . . . 1152 THR CB . 26972 1 459 . 1 1 105 105 THR N N 15 119.726 0.300 . 1 . . . . . 1152 THR N . 26972 1 460 . 1 1 106 106 GLU H H 1 8.359 0.020 . 1 . . . . . 1153 GLU H . 26972 1 461 . 1 1 106 106 GLU C C 13 178.919 0.300 . 1 . . . . . 1153 GLU C . 26972 1 462 . 1 1 106 106 GLU CA C 13 58.916 0.300 . 1 . . . . . 1153 GLU CA . 26972 1 463 . 1 1 106 106 GLU CB C 13 28.957 0.300 . 1 . . . . . 1153 GLU CB . 26972 1 464 . 1 1 106 106 GLU N N 15 120.357 0.300 . 1 . . . . . 1153 GLU N . 26972 1 465 . 1 1 107 107 ARG H H 1 8.496 0.020 . 1 . . . . . 1154 ARG H . 26972 1 466 . 1 1 107 107 ARG C C 13 176.455 0.300 . 1 . . . . . 1154 ARG C . 26972 1 467 . 1 1 107 107 ARG CA C 13 55.387 0.300 . 1 . . . . . 1154 ARG CA . 26972 1 468 . 1 1 107 107 ARG CB C 13 31.182 0.300 . 1 . . . . . 1154 ARG CB . 26972 1 469 . 1 1 107 107 ARG N N 15 115.104 0.300 . 1 . . . . . 1154 ARG N . 26972 1 470 . 1 1 108 108 ARG H H 1 7.606 0.020 . 1 . . . . . 1155 ARG H . 26972 1 471 . 1 1 108 108 ARG C C 13 173.944 0.300 . 1 . . . . . 1155 ARG C . 26972 1 472 . 1 1 108 108 ARG CA C 13 53.669 0.300 . 1 . . . . . 1155 ARG CA . 26972 1 473 . 1 1 108 108 ARG CB C 13 28.922 0.300 . 1 . . . . . 1155 ARG CB . 26972 1 474 . 1 1 108 108 ARG N N 15 120.718 0.300 . 1 . . . . . 1155 ARG N . 26972 1 475 . 1 1 109 109 GLY H H 1 7.751 0.020 . 1 . . . . . 1156 GLY H . 26972 1 476 . 1 1 109 109 GLY C C 13 175.704 0.300 . 1 . . . . . 1156 GLY C . 26972 1 477 . 1 1 109 109 GLY CA C 13 45.461 0.300 . 1 . . . . . 1156 GLY CA . 26972 1 478 . 1 1 109 109 GLY N N 15 105.532 0.300 . 1 . . . . . 1156 GLY N . 26972 1 479 . 1 1 110 110 TRP H H 1 9.586 0.020 . 1 . . . . . 1157 TRP H . 26972 1 480 . 1 1 110 110 TRP C C 13 176.430 0.300 . 1 . . . . . 1157 TRP C . 26972 1 481 . 1 1 110 110 TRP CA C 13 57.413 0.300 . 1 . . . . . 1157 TRP CA . 26972 1 482 . 1 1 110 110 TRP CB C 13 29.340 0.300 . 1 . . . . . 1157 TRP CB . 26972 1 483 . 1 1 110 110 TRP N N 15 130.071 0.300 . 1 . . . . . 1157 TRP N . 26972 1 484 . 1 1 111 111 GLY H H 1 9.415 0.020 . 1 . . . . . 1158 GLY H . 26972 1 485 . 1 1 111 111 GLY C C 13 172.481 0.300 . 1 . . . . . 1158 GLY C . 26972 1 486 . 1 1 111 111 GLY CA C 13 43.985 0.300 . 1 . . . . . 1158 GLY CA . 26972 1 487 . 1 1 111 111 GLY N N 15 110.437 0.300 . 1 . . . . . 1158 GLY N . 26972 1 488 . 1 1 112 112 LEU H H 1 8.693 0.020 . 1 . . . . . 1159 LEU H . 26972 1 489 . 1 1 112 112 LEU C C 13 174.561 0.300 . 1 . . . . . 1159 LEU C . 26972 1 490 . 1 1 112 112 LEU CA C 13 52.672 0.300 . 1 . . . . . 1159 LEU CA . 26972 1 491 . 1 1 112 112 LEU CB C 13 46.510 0.300 . 1 . . . . . 1159 LEU CB . 26972 1 492 . 1 1 112 112 LEU N N 15 122.368 0.300 . 1 . . . . . 1159 LEU N . 26972 1 493 . 1 1 113 113 ARG H H 1 9.323 0.020 . 1 . . . . . 1160 ARG H . 26972 1 494 . 1 1 113 113 ARG C C 13 175.246 0.300 . 1 . . . . . 1160 ARG C . 26972 1 495 . 1 1 113 113 ARG CA C 13 53.051 0.300 . 1 . . . . . 1160 ARG CA . 26972 1 496 . 1 1 113 113 ARG CB C 13 33.651 0.300 . 1 . . . . . 1160 ARG CB . 26972 1 497 . 1 1 113 113 ARG N N 15 125.320 0.300 . 1 . . . . . 1160 ARG N . 26972 1 498 . 1 1 114 114 THR H H 1 7.791 0.020 . 1 . . . . . 1161 THR H . 26972 1 499 . 1 1 114 114 THR C C 13 175.041 0.300 . 1 . . . . . 1161 THR C . 26972 1 500 . 1 1 114 114 THR CA C 13 59.379 0.300 . 1 . . . . . 1161 THR CA . 26972 1 501 . 1 1 114 114 THR CB C 13 69.139 0.300 . 1 . . . . . 1161 THR CB . 26972 1 502 . 1 1 114 114 THR N N 15 115.239 0.300 . 1 . . . . . 1161 THR N . 26972 1 503 . 1 1 115 115 LYS H H 1 8.933 0.020 . 1 . . . . . 1162 LYS H . 26972 1 504 . 1 1 115 115 LYS C C 13 176.092 0.300 . 1 . . . . . 1162 LYS C . 26972 1 505 . 1 1 115 115 LYS CA C 13 56.154 0.300 . 1 . . . . . 1162 LYS CA . 26972 1 506 . 1 1 115 115 LYS CB C 13 31.435 0.300 . 1 . . . . . 1162 LYS CB . 26972 1 507 . 1 1 115 115 LYS N N 15 127.663 0.300 . 1 . . . . . 1162 LYS N . 26972 1 508 . 1 1 116 116 ARG H H 1 8.110 0.020 . 1 . . . . . 1163 ARG H . 26972 1 509 . 1 1 116 116 ARG C C 13 174.698 0.300 . 1 . . . . . 1163 ARG C . 26972 1 510 . 1 1 116 116 ARG CA C 13 53.263 0.300 . 1 . . . . . 1163 ARG CA . 26972 1 511 . 1 1 116 116 ARG CB C 13 32.411 0.300 . 1 . . . . . 1163 ARG CB . 26972 1 512 . 1 1 116 116 ARG N N 15 116.897 0.300 . 1 . . . . . 1163 ARG N . 26972 1 513 . 1 1 117 117 SER H H 1 8.742 0.020 . 1 . . . . . 1164 SER H . 26972 1 514 . 1 1 117 117 SER C C 13 174.287 0.300 . 1 . . . . . 1164 SER C . 26972 1 515 . 1 1 117 117 SER CA C 13 58.203 0.300 . 1 . . . . . 1164 SER CA . 26972 1 516 . 1 1 117 117 SER CB C 13 62.524 0.300 . 1 . . . . . 1164 SER CB . 26972 1 517 . 1 1 117 117 SER N N 15 118.765 0.300 . 1 . . . . . 1164 SER N . 26972 1 518 . 1 1 118 118 ILE H H 1 9.253 0.020 . 1 . . . . . 1165 ILE H . 26972 1 519 . 1 1 118 118 ILE C C 13 175.566 0.300 . 1 . . . . . 1165 ILE C . 26972 1 520 . 1 1 118 118 ILE CA C 13 59.839 0.300 . 1 . . . . . 1165 ILE CA . 26972 1 521 . 1 1 118 118 ILE CB C 13 41.333 0.300 . 1 . . . . . 1165 ILE CB . 26972 1 522 . 1 1 118 118 ILE N N 15 126.567 0.300 . 1 . . . . . 1165 ILE N . 26972 1 523 . 1 1 119 119 LYS H H 1 9.257 0.020 . 1 . . . . . 1166 LYS H . 26972 1 524 . 1 1 119 119 LYS C C 13 175.762 0.300 . 1 . . . . . 1166 LYS C . 26972 1 525 . 1 1 119 119 LYS CA C 13 54.734 0.300 . 1 . . . . . 1166 LYS CA . 26972 1 526 . 1 1 119 119 LYS CB C 13 32.997 0.300 . 1 . . . . . 1166 LYS CB . 26972 1 527 . 1 1 119 119 LYS N N 15 130.062 0.300 . 1 . . . . . 1166 LYS N . 26972 1 528 . 1 1 120 120 LYS H H 1 8.526 0.020 . 1 . . . . . 1167 LYS H . 26972 1 529 . 1 1 120 120 LYS C C 13 176.337 0.300 . 1 . . . . . 1167 LYS C . 26972 1 530 . 1 1 120 120 LYS CA C 13 58.810 0.300 . 1 . . . . . 1167 LYS CA . 26972 1 531 . 1 1 120 120 LYS CB C 13 31.747 0.300 . 1 . . . . . 1167 LYS CB . 26972 1 532 . 1 1 120 120 LYS N N 15 121.526 0.300 . 1 . . . . . 1167 LYS N . 26972 1 533 . 1 1 121 121 GLY H H 1 8.270 0.020 . 1 . . . . . 1168 GLY H . 26972 1 534 . 1 1 121 121 GLY C C 13 174.075 0.300 . 1 . . . . . 1168 GLY C . 26972 1 535 . 1 1 121 121 GLY CA C 13 44.483 0.300 . 1 . . . . . 1168 GLY CA . 26972 1 536 . 1 1 121 121 GLY N N 15 114.878 0.300 . 1 . . . . . 1168 GLY N . 26972 1 537 . 1 1 122 122 GLU H H 1 8.365 0.020 . 1 . . . . . 1169 GLU H . 26972 1 538 . 1 1 122 122 GLU C C 13 175.808 0.300 . 1 . . . . . 1169 GLU C . 26972 1 539 . 1 1 122 122 GLU CA C 13 57.836 0.300 . 1 . . . . . 1169 GLU CA . 26972 1 540 . 1 1 122 122 GLU CB C 13 30.161 0.300 . 1 . . . . . 1169 GLU CB . 26972 1 541 . 1 1 122 122 GLU N N 15 120.390 0.300 . 1 . . . . . 1169 GLU N . 26972 1 542 . 1 1 123 123 PHE H H 1 8.027 0.020 . 1 . . . . . 1170 PHE H . 26972 1 543 . 1 1 123 123 PHE C C 13 174.282 0.300 . 1 . . . . . 1170 PHE C . 26972 1 544 . 1 1 123 123 PHE CA C 13 57.562 0.300 . 1 . . . . . 1170 PHE CA . 26972 1 545 . 1 1 123 123 PHE CB C 13 38.779 0.300 . 1 . . . . . 1170 PHE CB . 26972 1 546 . 1 1 123 123 PHE N N 15 122.586 0.300 . 1 . . . . . 1170 PHE N . 26972 1 547 . 1 1 124 124 VAL H H 1 8.545 0.020 . 1 . . . . . 1171 VAL H . 26972 1 548 . 1 1 124 124 VAL C C 13 174.401 0.300 . 1 . . . . . 1171 VAL C . 26972 1 549 . 1 1 124 124 VAL CA C 13 61.774 0.300 . 1 . . . . . 1171 VAL CA . 26972 1 550 . 1 1 124 124 VAL CB C 13 32.454 0.300 . 1 . . . . . 1171 VAL CB . 26972 1 551 . 1 1 124 124 VAL N N 15 125.943 0.300 . 1 . . . . . 1171 VAL N . 26972 1 552 . 1 1 125 125 ASN H H 1 6.396 0.020 . 1 . . . . . 1172 ASN H . 26972 1 553 . 1 1 125 125 ASN C C 13 171.567 0.300 . 1 . . . . . 1172 ASN C . 26972 1 554 . 1 1 125 125 ASN CA C 13 50.868 0.300 . 1 . . . . . 1172 ASN CA . 26972 1 555 . 1 1 125 125 ASN CB C 13 40.807 0.300 . 1 . . . . . 1172 ASN CB . 26972 1 556 . 1 1 125 125 ASN N N 15 113.882 0.300 . 1 . . . . . 1172 ASN N . 26972 1 557 . 1 1 126 126 GLU H H 1 7.974 0.020 . 1 . . . . . 1173 GLU H . 26972 1 558 . 1 1 126 126 GLU C C 13 174.150 0.300 . 1 . . . . . 1173 GLU C . 26972 1 559 . 1 1 126 126 GLU CA C 13 53.498 0.300 . 1 . . . . . 1173 GLU CA . 26972 1 560 . 1 1 126 126 GLU CB C 13 31.492 0.300 . 1 . . . . . 1173 GLU CB . 26972 1 561 . 1 1 126 126 GLU N N 15 119.529 0.300 . 1 . . . . . 1173 GLU N . 26972 1 562 . 1 1 127 127 TYR H H 1 8.616 0.020 . 1 . . . . . 1174 TYR H . 26972 1 563 . 1 1 127 127 TYR C C 13 173.424 0.300 . 1 . . . . . 1174 TYR C . 26972 1 564 . 1 1 127 127 TYR CA C 13 57.629 0.300 . 1 . . . . . 1174 TYR CA . 26972 1 565 . 1 1 127 127 TYR CB C 13 37.516 0.300 . 1 . . . . . 1174 TYR CB . 26972 1 566 . 1 1 127 127 TYR N N 15 130.410 0.300 . 1 . . . . . 1174 TYR N . 26972 1 567 . 1 1 128 128 VAL H H 1 5.760 0.020 . 1 . . . . . 1175 VAL H . 26972 1 568 . 1 1 128 128 VAL C C 13 175.109 0.300 . 1 . . . . . 1175 VAL C . 26972 1 569 . 1 1 128 128 VAL CA C 13 57.585 0.300 . 1 . . . . . 1175 VAL CA . 26972 1 570 . 1 1 128 128 VAL CB C 13 34.131 0.300 . 1 . . . . . 1175 VAL CB . 26972 1 571 . 1 1 128 128 VAL N N 15 122.316 0.300 . 1 . . . . . 1175 VAL N . 26972 1 572 . 1 1 129 129 GLY H H 1 8.245 0.020 . 1 . . . . . 1176 GLY H . 26972 1 573 . 1 1 129 129 GLY C C 13 172.999 0.300 . 1 . . . . . 1176 GLY C . 26972 1 574 . 1 1 129 129 GLY CA C 13 46.011 0.300 . 1 . . . . . 1176 GLY CA . 26972 1 575 . 1 1 129 129 GLY N N 15 107.539 0.300 . 1 . . . . . 1176 GLY N . 26972 1 576 . 1 1 130 130 GLU H H 1 8.277 0.020 . 1 . . . . . 1177 GLU H . 26972 1 577 . 1 1 130 130 GLU C C 13 175.247 0.300 . 1 . . . . . 1177 GLU C . 26972 1 578 . 1 1 130 130 GLU CA C 13 55.594 0.300 . 1 . . . . . 1177 GLU CA . 26972 1 579 . 1 1 130 130 GLU CB C 13 29.613 0.300 . 1 . . . . . 1177 GLU CB . 26972 1 580 . 1 1 130 130 GLU N N 15 120.523 0.300 . 1 . . . . . 1177 GLU N . 26972 1 581 . 1 1 131 131 LEU H H 1 8.834 0.020 . 1 . . . . . 1178 LEU H . 26972 1 582 . 1 1 131 131 LEU C C 13 174.773 0.300 . 1 . . . . . 1178 LEU C . 26972 1 583 . 1 1 131 131 LEU CA C 13 53.635 0.300 . 1 . . . . . 1178 LEU CA . 26972 1 584 . 1 1 131 131 LEU CB C 13 42.820 0.300 . 1 . . . . . 1178 LEU CB . 26972 1 585 . 1 1 131 131 LEU N N 15 127.065 0.300 . 1 . . . . . 1178 LEU N . 26972 1 586 . 1 1 132 132 ILE H H 1 9.348 0.020 . 1 . . . . . 1179 ILE H . 26972 1 587 . 1 1 132 132 ILE C C 13 173.731 0.300 . 1 . . . . . 1179 ILE C . 26972 1 588 . 1 1 132 132 ILE CA C 13 58.386 0.300 . 1 . . . . . 1179 ILE CA . 26972 1 589 . 1 1 132 132 ILE CB C 13 41.107 0.300 . 1 . . . . . 1179 ILE CB . 26972 1 590 . 1 1 132 132 ILE N N 15 118.697 0.300 . 1 . . . . . 1179 ILE N . 26972 1 591 . 1 1 133 133 ASP H H 1 7.832 0.020 . 1 . . . . . 1180 ASP H . 26972 1 592 . 1 1 133 133 ASP C C 13 176.391 0.300 . 1 . . . . . 1180 ASP C . 26972 1 593 . 1 1 133 133 ASP CA C 13 50.305 0.300 . 1 . . . . . 1180 ASP CA . 26972 1 594 . 1 1 133 133 ASP CB C 13 40.793 0.300 . 1 . . . . . 1180 ASP CB . 26972 1 595 . 1 1 133 133 ASP N N 15 118.606 0.300 . 1 . . . . . 1180 ASP N . 26972 1 596 . 1 1 134 134 GLU H H 1 8.498 0.020 . 1 . . . . . 1181 GLU H . 26972 1 597 . 1 1 134 134 GLU C C 13 178.619 0.300 . 1 . . . . . 1181 GLU C . 26972 1 598 . 1 1 134 134 GLU CA C 13 59.785 0.300 . 1 . . . . . 1181 GLU CA . 26972 1 599 . 1 1 134 134 GLU CB C 13 28.562 0.300 . 1 . . . . . 1181 GLU CB . 26972 1 600 . 1 1 134 134 GLU N N 15 117.956 0.300 . 1 . . . . . 1181 GLU N . 26972 1 601 . 1 1 135 135 GLU H H 1 8.283 0.020 . 1 . . . . . 1182 GLU H . 26972 1 602 . 1 1 135 135 GLU C C 13 176.533 0.300 . 1 . . . . . 1182 GLU C . 26972 1 603 . 1 1 135 135 GLU CA C 13 58.890 0.300 . 1 . . . . . 1182 GLU CA . 26972 1 604 . 1 1 135 135 GLU CB C 13 28.508 0.300 . 1 . . . . . 1182 GLU CB . 26972 1 605 . 1 1 135 135 GLU N N 15 121.225 0.300 . 1 . . . . . 1182 GLU N . 26972 1 606 . 1 1 136 136 GLU C C 13 178.241 0.300 . 1 . . . . . 1183 GLU C . 26972 1 607 . 1 1 136 136 GLU CA C 13 57.751 0.300 . 1 . . . . . 1183 GLU CA . 26972 1 608 . 1 1 136 136 GLU CB C 13 28.451 0.300 . 1 . . . . . 1183 GLU CB . 26972 1 609 . 1 1 137 137 CYS H H 1 8.604 0.020 . 1 . . . . . 1184 CYS H . 26972 1 610 . 1 1 137 137 CYS C C 13 178.125 0.300 . 1 . . . . . 1184 CYS C . 26972 1 611 . 1 1 137 137 CYS CA C 13 62.689 0.300 . 1 . . . . . 1184 CYS CA . 26972 1 612 . 1 1 137 137 CYS CB C 13 25.913 0.300 . 1 . . . . . 1184 CYS CB . 26972 1 613 . 1 1 137 137 CYS N N 15 120.525 0.300 . 1 . . . . . 1184 CYS N . 26972 1 614 . 1 1 138 138 ARG H H 1 8.440 0.020 . 1 . . . . . 1185 ARG H . 26972 1 615 . 1 1 138 138 ARG C C 13 179.836 0.300 . 1 . . . . . 1185 ARG C . 26972 1 616 . 1 1 138 138 ARG CA C 13 59.606 0.300 . 1 . . . . . 1185 ARG CA . 26972 1 617 . 1 1 138 138 ARG CB C 13 28.999 0.300 . 1 . . . . . 1185 ARG CB . 26972 1 618 . 1 1 138 138 ARG N N 15 118.711 0.300 . 1 . . . . . 1185 ARG N . 26972 1 619 . 1 1 139 139 LEU H H 1 7.812 0.020 . 1 . . . . . 1186 LEU H . 26972 1 620 . 1 1 139 139 LEU C C 13 179.532 0.300 . 1 . . . . . 1186 LEU C . 26972 1 621 . 1 1 139 139 LEU CA C 13 57.778 0.300 . 1 . . . . . 1186 LEU CA . 26972 1 622 . 1 1 139 139 LEU CB C 13 40.582 0.300 . 1 . . . . . 1186 LEU CB . 26972 1 623 . 1 1 139 139 LEU N N 15 122.044 0.300 . 1 . . . . . 1186 LEU N . 26972 1 624 . 1 1 140 140 ARG H H 1 8.393 0.020 . 1 . . . . . 1187 ARG H . 26972 1 625 . 1 1 140 140 ARG C C 13 180.777 0.300 . 1 . . . . . 1187 ARG C . 26972 1 626 . 1 1 140 140 ARG CA C 13 59.718 0.300 . 1 . . . . . 1187 ARG CA . 26972 1 627 . 1 1 140 140 ARG CB C 13 29.805 0.300 . 1 . . . . . 1187 ARG CB . 26972 1 628 . 1 1 140 140 ARG N N 15 120.205 0.300 . 1 . . . . . 1187 ARG N . 26972 1 629 . 1 1 141 141 ILE H H 1 8.752 0.020 . 1 . . . . . 1188 ILE H . 26972 1 630 . 1 1 141 141 ILE C C 13 177.108 0.300 . 1 . . . . . 1188 ILE C . 26972 1 631 . 1 1 141 141 ILE CA C 13 65.437 0.300 . 1 . . . . . 1188 ILE CA . 26972 1 632 . 1 1 141 141 ILE CB C 13 36.600 0.300 . 1 . . . . . 1188 ILE CB . 26972 1 633 . 1 1 141 141 ILE N N 15 122.701 0.300 . 1 . . . . . 1188 ILE N . 26972 1 634 . 1 1 142 142 LYS H H 1 7.935 0.020 . 1 . . . . . 1189 LYS H . 26972 1 635 . 1 1 142 142 LYS C C 13 179.499 0.300 . 1 . . . . . 1189 LYS C . 26972 1 636 . 1 1 142 142 LYS CA C 13 59.483 0.300 . 1 . . . . . 1189 LYS CA . 26972 1 637 . 1 1 142 142 LYS CB C 13 31.523 0.300 . 1 . . . . . 1189 LYS CB . 26972 1 638 . 1 1 142 142 LYS N N 15 121.988 0.300 . 1 . . . . . 1189 LYS N . 26972 1 639 . 1 1 143 143 ARG H H 1 8.113 0.020 . 1 . . . . . 1190 ARG H . 26972 1 640 . 1 1 143 143 ARG C C 13 178.691 0.300 . 1 . . . . . 1190 ARG C . 26972 1 641 . 1 1 143 143 ARG CA C 13 58.421 0.300 . 1 . . . . . 1190 ARG CA . 26972 1 642 . 1 1 143 143 ARG CB C 13 29.218 0.300 . 1 . . . . . 1190 ARG CB . 26972 1 643 . 1 1 143 143 ARG N N 15 118.905 0.300 . 1 . . . . . 1190 ARG N . 26972 1 644 . 1 1 144 144 ALA H H 1 8.058 0.020 . 1 . . . . . 1191 ALA H . 26972 1 645 . 1 1 144 144 ALA C C 13 180.948 0.300 . 1 . . . . . 1191 ALA C . 26972 1 646 . 1 1 144 144 ALA CA C 13 54.633 0.300 . 1 . . . . . 1191 ALA CA . 26972 1 647 . 1 1 144 144 ALA CB C 13 17.602 0.300 . 1 . . . . . 1191 ALA CB . 26972 1 648 . 1 1 144 144 ALA N N 15 122.640 0.300 . 1 . . . . . 1191 ALA N . 26972 1 649 . 1 1 145 145 HIS H H 1 8.565 0.020 . 1 . . . . . 1192 HIS H . 26972 1 650 . 1 1 145 145 HIS C C 13 179.634 0.300 . 1 . . . . . 1192 HIS C . 26972 1 651 . 1 1 145 145 HIS CA C 13 57.928 0.300 . 1 . . . . . 1192 HIS CA . 26972 1 652 . 1 1 145 145 HIS CB C 13 27.899 0.300 . 1 . . . . . 1192 HIS CB . 26972 1 653 . 1 1 145 145 HIS N N 15 117.373 0.300 . 1 . . . . . 1192 HIS N . 26972 1 654 . 1 1 146 146 GLU H H 1 8.242 0.020 . 1 . . . . . 1193 GLU H . 26972 1 655 . 1 1 146 146 GLU C C 13 177.509 0.300 . 1 . . . . . 1193 GLU C . 26972 1 656 . 1 1 146 146 GLU CA C 13 58.416 0.300 . 1 . . . . . 1193 GLU CA . 26972 1 657 . 1 1 146 146 GLU CB C 13 28.262 0.300 . 1 . . . . . 1193 GLU CB . 26972 1 658 . 1 1 146 146 GLU N N 15 121.276 0.300 . 1 . . . . . 1193 GLU N . 26972 1 659 . 1 1 147 147 ASN H H 1 7.651 0.020 . 1 . . . . . 1194 ASN H . 26972 1 660 . 1 1 147 147 ASN C C 13 173.891 0.300 . 1 . . . . . 1194 ASN C . 26972 1 661 . 1 1 147 147 ASN CA C 13 52.742 0.300 . 1 . . . . . 1194 ASN CA . 26972 1 662 . 1 1 147 147 ASN CB C 13 39.098 0.300 . 1 . . . . . 1194 ASN CB . 26972 1 663 . 1 1 147 147 ASN N N 15 116.762 0.300 . 1 . . . . . 1194 ASN N . 26972 1 664 . 1 1 148 148 SER H H 1 7.873 0.020 . 1 . . . . . 1195 SER H . 26972 1 665 . 1 1 148 148 SER C C 13 173.660 0.300 . 1 . . . . . 1195 SER C . 26972 1 666 . 1 1 148 148 SER CA C 13 58.855 0.300 . 1 . . . . . 1195 SER CA . 26972 1 667 . 1 1 148 148 SER CB C 13 60.340 0.300 . 1 . . . . . 1195 SER CB . 26972 1 668 . 1 1 148 148 SER N N 15 112.516 0.300 . 1 . . . . . 1195 SER N . 26972 1 669 . 1 1 149 149 VAL H H 1 8.030 0.020 . 1 . . . . . 1196 VAL H . 26972 1 670 . 1 1 149 149 VAL C C 13 176.635 0.300 . 1 . . . . . 1196 VAL C . 26972 1 671 . 1 1 149 149 VAL CA C 13 62.736 0.300 . 1 . . . . . 1196 VAL CA . 26972 1 672 . 1 1 149 149 VAL CB C 13 31.492 0.300 . 1 . . . . . 1196 VAL CB . 26972 1 673 . 1 1 149 149 VAL N N 15 121.536 0.300 . 1 . . . . . 1196 VAL N . 26972 1 674 . 1 1 150 150 THR H H 1 8.289 0.020 . 1 . . . . . 1197 THR H . 26972 1 675 . 1 1 150 150 THR C C 13 174.605 0.300 . 1 . . . . . 1197 THR C . 26972 1 676 . 1 1 150 150 THR CA C 13 61.259 0.300 . 1 . . . . . 1197 THR CA . 26972 1 677 . 1 1 150 150 THR CB C 13 69.025 0.300 . 1 . . . . . 1197 THR CB . 26972 1 678 . 1 1 150 150 THR N N 15 114.188 0.300 . 1 . . . . . 1197 THR N . 26972 1 679 . 1 1 151 151 ASN H H 1 7.149 0.020 . 1 . . . . . 1198 ASN H . 26972 1 680 . 1 1 151 151 ASN C C 13 171.657 0.300 . 1 . . . . . 1198 ASN C . 26972 1 681 . 1 1 151 151 ASN CA C 13 52.845 0.300 . 1 . . . . . 1198 ASN CA . 26972 1 682 . 1 1 151 151 ASN CB C 13 41.308 0.300 . 1 . . . . . 1198 ASN CB . 26972 1 683 . 1 1 151 151 ASN N N 15 122.337 0.300 . 1 . . . . . 1198 ASN N . 26972 1 684 . 1 1 152 152 PHE H H 1 7.348 0.020 . 1 . . . . . 1199 PHE H . 26972 1 685 . 1 1 152 152 PHE C C 13 175.197 0.300 . 1 . . . . . 1199 PHE C . 26972 1 686 . 1 1 152 152 PHE CA C 13 57.248 0.300 . 1 . . . . . 1199 PHE CA . 26972 1 687 . 1 1 152 152 PHE CB C 13 42.460 0.300 . 1 . . . . . 1199 PHE CB . 26972 1 688 . 1 1 152 152 PHE N N 15 119.967 0.300 . 1 . . . . . 1199 PHE N . 26972 1 689 . 1 1 153 153 TYR H H 1 9.359 0.020 . 1 . . . . . 1200 TYR H . 26972 1 690 . 1 1 153 153 TYR C C 13 178.126 0.300 . 1 . . . . . 1200 TYR C . 26972 1 691 . 1 1 153 153 TYR CA C 13 55.884 0.300 . 1 . . . . . 1200 TYR CA . 26972 1 692 . 1 1 153 153 TYR CB C 13 39.086 0.300 . 1 . . . . . 1200 TYR CB . 26972 1 693 . 1 1 153 153 TYR N N 15 118.805 0.300 . 1 . . . . . 1200 TYR N . 26972 1 694 . 1 1 154 154 MET H H 1 8.196 0.020 . 1 . . . . . 1201 MET H . 26972 1 695 . 1 1 154 154 MET C C 13 175.323 0.300 . 1 . . . . . 1201 MET C . 26972 1 696 . 1 1 154 154 MET CA C 13 54.928 0.300 . 1 . . . . . 1201 MET CA . 26972 1 697 . 1 1 154 154 MET CB C 13 33.805 0.300 . 1 . . . . . 1201 MET CB . 26972 1 698 . 1 1 154 154 MET N N 15 125.770 0.300 . 1 . . . . . 1201 MET N . 26972 1 699 . 1 1 155 155 LEU H H 1 9.414 0.020 . 1 . . . . . 1202 LEU H . 26972 1 700 . 1 1 155 155 LEU C C 13 175.255 0.300 . 1 . . . . . 1202 LEU C . 26972 1 701 . 1 1 155 155 LEU CA C 13 54.666 0.300 . 1 . . . . . 1202 LEU CA . 26972 1 702 . 1 1 155 155 LEU CB C 13 45.309 0.300 . 1 . . . . . 1202 LEU CB . 26972 1 703 . 1 1 155 155 LEU N N 15 129.514 0.300 . 1 . . . . . 1202 LEU N . 26972 1 704 . 1 1 156 156 THR H H 1 9.090 0.020 . 1 . . . . . 1203 THR H . 26972 1 705 . 1 1 156 156 THR C C 13 173.268 0.300 . 1 . . . . . 1203 THR C . 26972 1 706 . 1 1 156 156 THR CA C 13 64.041 0.300 . 1 . . . . . 1203 THR CA . 26972 1 707 . 1 1 156 156 THR CB C 13 68.917 0.300 . 1 . . . . . 1203 THR CB . 26972 1 708 . 1 1 156 156 THR N N 15 124.337 0.300 . 1 . . . . . 1203 THR N . 26972 1 709 . 1 1 157 157 VAL H H 1 8.929 0.020 . 1 . . . . . 1204 VAL H . 26972 1 710 . 1 1 157 157 VAL C C 13 175.996 0.300 . 1 . . . . . 1204 VAL C . 26972 1 711 . 1 1 157 157 VAL CA C 13 64.831 0.300 . 1 . . . . . 1204 VAL CA . 26972 1 712 . 1 1 157 157 VAL CB C 13 31.509 0.300 . 1 . . . . . 1204 VAL CB . 26972 1 713 . 1 1 157 157 VAL N N 15 128.014 0.300 . 1 . . . . . 1204 VAL N . 26972 1 714 . 1 1 158 158 THR H H 1 8.217 0.020 . 1 . . . . . 1205 THR H . 26972 1 715 . 1 1 158 158 THR C C 13 173.848 0.300 . 1 . . . . . 1205 THR C . 26972 1 716 . 1 1 158 158 THR CA C 13 58.855 0.300 . 1 . . . . . 1205 THR CA . 26972 1 717 . 1 1 158 158 THR CB C 13 70.256 0.300 . 1 . . . . . 1205 THR CB . 26972 1 718 . 1 1 158 158 THR N N 15 110.971 0.300 . 1 . . . . . 1205 THR N . 26972 1 719 . 1 1 159 159 LYS H H 1 8.193 0.020 . 1 . . . . . 1206 LYS H . 26972 1 720 . 1 1 159 159 LYS C C 13 177.225 0.300 . 1 . . . . . 1206 LYS C . 26972 1 721 . 1 1 159 159 LYS CA C 13 58.065 0.300 . 1 . . . . . 1206 LYS CA . 26972 1 722 . 1 1 159 159 LYS CB C 13 32.918 0.300 . 1 . . . . . 1206 LYS CB . 26972 1 723 . 1 1 159 159 LYS N N 15 121.229 0.300 . 1 . . . . . 1206 LYS N . 26972 1 724 . 1 1 160 160 ASP H H 1 8.374 0.020 . 1 . . . . . 1207 ASP H . 26972 1 725 . 1 1 160 160 ASP C C 13 174.812 0.300 . 1 . . . . . 1207 ASP C . 26972 1 726 . 1 1 160 160 ASP CA C 13 54.454 0.300 . 1 . . . . . 1207 ASP CA . 26972 1 727 . 1 1 160 160 ASP CB C 13 38.716 0.300 . 1 . . . . . 1207 ASP CB . 26972 1 728 . 1 1 160 160 ASP N N 15 119.433 0.300 . 1 . . . . . 1207 ASP N . 26972 1 729 . 1 1 161 161 ARG H H 1 7.818 0.020 . 1 . . . . . 1208 ARG H . 26972 1 730 . 1 1 161 161 ARG C C 13 172.070 0.300 . 1 . . . . . 1208 ARG C . 26972 1 731 . 1 1 161 161 ARG CA C 13 55.786 0.300 . 1 . . . . . 1208 ARG CA . 26972 1 732 . 1 1 161 161 ARG CB C 13 31.567 0.300 . 1 . . . . . 1208 ARG CB . 26972 1 733 . 1 1 161 161 ARG N N 15 119.783 0.300 . 1 . . . . . 1208 ARG N . 26972 1 734 . 1 1 162 162 ILE H H 1 9.329 0.020 . 1 . . . . . 1209 ILE H . 26972 1 735 . 1 1 162 162 ILE C C 13 173.670 0.300 . 1 . . . . . 1209 ILE C . 26972 1 736 . 1 1 162 162 ILE CA C 13 59.954 0.300 . 1 . . . . . 1209 ILE CA . 26972 1 737 . 1 1 162 162 ILE CB C 13 41.587 0.300 . 1 . . . . . 1209 ILE CB . 26972 1 738 . 1 1 162 162 ILE N N 15 130.220 0.300 . 1 . . . . . 1209 ILE N . 26972 1 739 . 1 1 163 163 ILE H H 1 9.113 0.020 . 1 . . . . . 1210 ILE H . 26972 1 740 . 1 1 163 163 ILE C C 13 175.178 0.300 . 1 . . . . . 1210 ILE C . 26972 1 741 . 1 1 163 163 ILE CA C 13 60.350 0.300 . 1 . . . . . 1210 ILE CA . 26972 1 742 . 1 1 163 163 ILE CB C 13 38.628 0.300 . 1 . . . . . 1210 ILE CB . 26972 1 743 . 1 1 163 163 ILE N N 15 126.002 0.300 . 1 . . . . . 1210 ILE N . 26972 1 744 . 1 1 164 164 ASP H H 1 9.818 0.020 . 1 . . . . . 1211 ASP H . 26972 1 745 . 1 1 164 164 ASP C C 13 176.389 0.300 . 1 . . . . . 1211 ASP C . 26972 1 746 . 1 1 164 164 ASP CA C 13 52.092 0.300 . 1 . . . . . 1211 ASP CA . 26972 1 747 . 1 1 164 164 ASP CB C 13 41.491 0.300 . 1 . . . . . 1211 ASP CB . 26972 1 748 . 1 1 164 164 ASP N N 15 127.059 0.300 . 1 . . . . . 1211 ASP N . 26972 1 749 . 1 1 165 165 ALA H H 1 8.169 0.020 . 1 . . . . . 1212 ALA H . 26972 1 750 . 1 1 165 165 ALA C C 13 176.366 0.300 . 1 . . . . . 1212 ALA C . 26972 1 751 . 1 1 165 165 ALA CA C 13 50.579 0.300 . 1 . . . . . 1212 ALA CA . 26972 1 752 . 1 1 165 165 ALA CB C 13 17.847 0.300 . 1 . . . . . 1212 ALA CB . 26972 1 753 . 1 1 165 165 ALA N N 15 128.996 0.300 . 1 . . . . . 1212 ALA N . 26972 1 754 . 1 1 166 166 GLY H H 1 8.653 0.020 . 1 . . . . . 1213 GLY H . 26972 1 755 . 1 1 166 166 GLY C C 13 174.581 0.300 . 1 . . . . . 1213 GLY C . 26972 1 756 . 1 1 166 166 GLY CA C 13 46.869 0.300 . 1 . . . . . 1213 GLY CA . 26972 1 757 . 1 1 166 166 GLY N N 15 108.898 0.300 . 1 . . . . . 1213 GLY N . 26972 1 758 . 1 1 167 167 PRO C C 13 178.017 0.300 . 1 . . . . . 1214 PRO C . 26972 1 759 . 1 1 167 167 PRO CA C 13 63.457 0.300 . 1 . . . . . 1214 PRO CA . 26972 1 760 . 1 1 167 167 PRO CB C 13 32.173 0.300 . 1 . . . . . 1214 PRO CB . 26972 1 761 . 1 1 168 168 LYS H H 1 6.603 0.020 . 1 . . . . . 1215 LYS H . 26972 1 762 . 1 1 168 168 LYS C C 13 172.864 0.300 . 1 . . . . . 1215 LYS C . 26972 1 763 . 1 1 168 168 LYS CA C 13 53.038 0.300 . 1 . . . . . 1215 LYS CA . 26972 1 764 . 1 1 168 168 LYS CB C 13 35.924 0.300 . 1 . . . . . 1215 LYS CB . 26972 1 765 . 1 1 168 168 LYS N N 15 113.616 0.300 . 1 . . . . . 1215 LYS N . 26972 1 766 . 1 1 169 169 GLY H H 1 8.099 0.020 . 1 . . . . . 1216 GLY H . 26972 1 767 . 1 1 169 169 GLY C C 13 171.156 0.300 . 1 . . . . . 1216 GLY C . 26972 1 768 . 1 1 169 169 GLY CA C 13 45.221 0.300 . 1 . . . . . 1216 GLY CA . 26972 1 769 . 1 1 169 169 GLY N N 15 103.986 0.300 . 1 . . . . . 1216 GLY N . 26972 1 770 . 1 1 170 170 ASN H H 1 8.779 0.020 . 1 . . . . . 1217 ASN H . 26972 1 771 . 1 1 170 170 ASN C C 13 176.343 0.300 . 1 . . . . . 1217 ASN C . 26972 1 772 . 1 1 170 170 ASN CA C 13 50.340 0.300 . 1 . . . . . 1217 ASN CA . 26972 1 773 . 1 1 170 170 ASN CB C 13 37.570 0.300 . 1 . . . . . 1217 ASN CB . 26972 1 774 . 1 1 170 170 ASN N N 15 122.477 0.300 . 1 . . . . . 1217 ASN N . 26972 1 775 . 1 1 171 171 TYR H H 1 7.680 0.020 . 1 . . . . . 1218 TYR H . 26972 1 776 . 1 1 171 171 TYR C C 13 178.263 0.300 . 1 . . . . . 1218 TYR C . 26972 1 777 . 1 1 171 171 TYR CA C 13 60.263 0.300 . 1 . . . . . 1218 TYR CA . 26972 1 778 . 1 1 171 171 TYR CB C 13 35.373 0.300 . 1 . . . . . 1218 TYR CB . 26972 1 779 . 1 1 171 171 TYR N N 15 112.902 0.300 . 1 . . . . . 1218 TYR N . 26972 1 780 . 1 1 172 172 SER H H 1 8.407 0.020 . 1 . . . . . 1219 SER H . 26972 1 781 . 1 1 172 172 SER C C 13 176.199 0.300 . 1 . . . . . 1219 SER C . 26972 1 782 . 1 1 172 172 SER CA C 13 61.706 0.300 . 1 . . . . . 1219 SER CA . 26972 1 783 . 1 1 172 172 SER N N 15 113.725 0.300 . 1 . . . . . 1219 SER N . 26972 1 784 . 1 1 173 173 ARG H H 1 7.096 0.020 . 1 . . . . . 1220 ARG H . 26972 1 785 . 1 1 173 173 ARG C C 13 174.382 0.300 . 1 . . . . . 1220 ARG C . 26972 1 786 . 1 1 173 173 ARG CA C 13 57.138 0.300 . 1 . . . . . 1220 ARG CA . 26972 1 787 . 1 1 173 173 ARG CB C 13 28.947 0.300 . 1 . . . . . 1220 ARG CB . 26972 1 788 . 1 1 173 173 ARG N N 15 122.908 0.300 . 1 . . . . . 1220 ARG N . 26972 1 789 . 1 1 174 174 PHE H H 1 7.641 0.020 . 1 . . . . . 1221 PHE H . 26972 1 790 . 1 1 174 174 PHE C C 13 174.085 0.300 . 1 . . . . . 1221 PHE C . 26972 1 791 . 1 1 174 174 PHE CA C 13 59.011 0.300 . 1 . . . . . 1221 PHE CA . 26972 1 792 . 1 1 174 174 PHE CB C 13 38.612 0.300 . 1 . . . . . 1221 PHE CB . 26972 1 793 . 1 1 174 174 PHE N N 15 115.595 0.300 . 1 . . . . . 1221 PHE N . 26972 1 794 . 1 1 175 175 MET H H 1 7.421 0.020 . 1 . . . . . 1222 MET H . 26972 1 795 . 1 1 175 175 MET C C 13 177.950 0.300 . 1 . . . . . 1222 MET C . 26972 1 796 . 1 1 175 175 MET CA C 13 57.207 0.300 . 1 . . . . . 1222 MET CA . 26972 1 797 . 1 1 175 175 MET CB C 13 32.282 0.300 . 1 . . . . . 1222 MET CB . 26972 1 798 . 1 1 175 175 MET N N 15 114.181 0.300 . 1 . . . . . 1222 MET N . 26972 1 799 . 1 1 176 176 ASN H H 1 9.798 0.020 . 1 . . . . . 1223 ASN H . 26972 1 800 . 1 1 176 176 ASN C C 13 172.321 0.300 . 1 . . . . . 1223 ASN C . 26972 1 801 . 1 1 176 176 ASN CA C 13 53.017 0.300 . 1 . . . . . 1223 ASN CA . 26972 1 802 . 1 1 176 176 ASN CB C 13 39.305 0.300 . 1 . . . . . 1223 ASN CB . 26972 1 803 . 1 1 176 176 ASN N N 15 128.559 0.300 . 1 . . . . . 1223 ASN N . 26972 1 804 . 1 1 177 177 HIS H H 1 9.497 0.020 . 1 . . . . . 1224 HIS H . 26972 1 805 . 1 1 177 177 HIS C C 13 179.680 0.300 . 1 . . . . . 1224 HIS C . 26972 1 806 . 1 1 177 177 HIS CA C 13 56.039 0.300 . 1 . . . . . 1224 HIS CA . 26972 1 807 . 1 1 177 177 HIS CB C 13 29.388 0.300 . 1 . . . . . 1224 HIS CB . 26972 1 808 . 1 1 177 177 HIS N N 15 119.892 0.300 . 1 . . . . . 1224 HIS N . 26972 1 809 . 1 1 178 178 SER H H 1 6.657 0.020 . 1 . . . . . 1225 SER H . 26972 1 810 . 1 1 178 178 SER C C 13 171.685 0.300 . 1 . . . . . 1225 SER C . 26972 1 811 . 1 1 178 178 SER CA C 13 55.181 0.300 . 1 . . . . . 1225 SER CA . 26972 1 812 . 1 1 178 178 SER CB C 13 64.396 0.300 . 1 . . . . . 1225 SER CB . 26972 1 813 . 1 1 178 178 SER N N 15 119.760 0.300 . 1 . . . . . 1225 SER N . 26972 1 814 . 1 1 179 179 CYS H H 1 8.811 0.020 . 1 . . . . . 1226 CYS H . 26972 1 815 . 1 1 179 179 CYS C C 13 175.727 0.300 . 1 . . . . . 1226 CYS C . 26972 1 816 . 1 1 179 179 CYS CA C 13 61.603 0.300 . 1 . . . . . 1226 CYS CA . 26972 1 817 . 1 1 179 179 CYS CB C 13 28.516 0.300 . 1 . . . . . 1226 CYS CB . 26972 1 818 . 1 1 179 179 CYS N N 15 128.128 0.300 . 1 . . . . . 1226 CYS N . 26972 1 819 . 1 1 180 180 ASN H H 1 8.539 0.020 . 1 . . . . . 1227 ASN H . 26972 1 820 . 1 1 180 180 ASN CA C 13 50.235 0.300 . 1 . . . . . 1227 ASN CA . 26972 1 821 . 1 1 180 180 ASN CB C 13 38.368 0.300 . 1 . . . . . 1227 ASN CB . 26972 1 822 . 1 1 180 180 ASN N N 15 118.194 0.300 . 1 . . . . . 1227 ASN N . 26972 1 823 . 1 1 181 181 PRO C C 13 176.252 0.300 . 1 . . . . . 1228 PRO C . 26972 1 824 . 1 1 181 181 PRO CA C 13 62.049 0.300 . 1 . . . . . 1228 PRO CA . 26972 1 825 . 1 1 181 181 PRO CB C 13 33.060 0.300 . 1 . . . . . 1228 PRO CB . 26972 1 826 . 1 1 182 182 ASN H H 1 7.275 0.020 . 1 . . . . . 1229 ASN H . 26972 1 827 . 1 1 182 182 ASN C C 13 175.452 0.300 . 1 . . . . . 1229 ASN C . 26972 1 828 . 1 1 182 182 ASN CA C 13 51.746 0.300 . 1 . . . . . 1229 ASN CA . 26972 1 829 . 1 1 182 182 ASN CB C 13 38.124 0.300 . 1 . . . . . 1229 ASN CB . 26972 1 830 . 1 1 182 182 ASN N N 15 111.159 0.300 . 1 . . . . . 1229 ASN N . 26972 1 831 . 1 1 183 183 CYS H H 1 8.578 0.020 . 1 . . . . . 1230 CYS H . 26972 1 832 . 1 1 183 183 CYS C C 13 173.361 0.300 . 1 . . . . . 1230 CYS C . 26972 1 833 . 1 1 183 183 CYS CA C 13 57.550 0.300 . 1 . . . . . 1230 CYS CA . 26972 1 834 . 1 1 183 183 CYS CB C 13 31.903 0.300 . 1 . . . . . 1230 CYS CB . 26972 1 835 . 1 1 183 183 CYS N N 15 118.408 0.300 . 1 . . . . . 1230 CYS N . 26972 1 836 . 1 1 184 184 GLU H H 1 9.409 0.020 . 1 . . . . . 1231 GLU H . 26972 1 837 . 1 1 184 184 GLU C C 13 175.132 0.300 . 1 . . . . . 1231 GLU C . 26972 1 838 . 1 1 184 184 GLU CA C 13 53.463 0.300 . 1 . . . . . 1231 GLU CA . 26972 1 839 . 1 1 184 184 GLU CB C 13 32.108 0.300 . 1 . . . . . 1231 GLU CB . 26972 1 840 . 1 1 184 184 GLU N N 15 117.055 0.300 . 1 . . . . . 1231 GLU N . 26972 1 841 . 1 1 185 185 THR H H 1 8.717 0.020 . 1 . . . . . 1232 THR H . 26972 1 842 . 1 1 185 185 THR C C 13 176.069 0.300 . 1 . . . . . 1232 THR C . 26972 1 843 . 1 1 185 185 THR CA C 13 59.436 0.300 . 1 . . . . . 1232 THR CA . 26972 1 844 . 1 1 185 185 THR CB C 13 69.826 0.300 . 1 . . . . . 1232 THR CB . 26972 1 845 . 1 1 185 185 THR N N 15 113.005 0.300 . 1 . . . . . 1232 THR N . 26972 1 846 . 1 1 186 186 GLN H H 1 9.263 0.020 . 1 . . . . . 1233 GLN H . 26972 1 847 . 1 1 186 186 GLN C C 13 175.566 0.300 . 1 . . . . . 1233 GLN C . 26972 1 848 . 1 1 186 186 GLN CA C 13 54.768 0.300 . 1 . . . . . 1233 GLN CA . 26972 1 849 . 1 1 186 186 GLN CB C 13 32.624 0.300 . 1 . . . . . 1233 GLN CB . 26972 1 850 . 1 1 186 186 GLN N N 15 118.575 0.300 . 1 . . . . . 1233 GLN N . 26972 1 851 . 1 1 187 187 LYS H H 1 8.910 0.020 . 1 . . . . . 1234 LYS H . 26972 1 852 . 1 1 187 187 LYS C C 13 175.701 0.300 . 1 . . . . . 1234 LYS C . 26972 1 853 . 1 1 187 187 LYS CA C 13 55.902 0.300 . 1 . . . . . 1234 LYS CA . 26972 1 854 . 1 1 187 187 LYS CB C 13 30.891 0.300 . 1 . . . . . 1234 LYS CB . 26972 1 855 . 1 1 187 187 LYS N N 15 124.622 0.300 . 1 . . . . . 1234 LYS N . 26972 1 856 . 1 1 188 188 TRP H H 1 9.234 0.020 . 1 . . . . . 1235 TRP H . 26972 1 857 . 1 1 188 188 TRP C C 13 174.885 0.300 . 1 . . . . . 1235 TRP C . 26972 1 858 . 1 1 188 188 TRP CA C 13 55.524 0.300 . 1 . . . . . 1235 TRP CA . 26972 1 859 . 1 1 188 188 TRP CB C 13 31.565 0.300 . 1 . . . . . 1235 TRP CB . 26972 1 860 . 1 1 188 188 TRP N N 15 129.297 0.300 . 1 . . . . . 1235 TRP N . 26972 1 861 . 1 1 189 189 THR H H 1 8.474 0.020 . 1 . . . . . 1236 THR H . 26972 1 862 . 1 1 189 189 THR C C 13 173.643 0.300 . 1 . . . . . 1236 THR C . 26972 1 863 . 1 1 189 189 THR CA C 13 61.778 0.300 . 1 . . . . . 1236 THR CA . 26972 1 864 . 1 1 189 189 THR CB C 13 67.077 0.300 . 1 . . . . . 1236 THR CB . 26972 1 865 . 1 1 189 189 THR N N 15 116.930 0.300 . 1 . . . . . 1236 THR N . 26972 1 866 . 1 1 190 190 VAL H H 1 9.049 0.020 . 1 . . . . . 1237 VAL H . 26972 1 867 . 1 1 190 190 VAL C C 13 176.663 0.300 . 1 . . . . . 1237 VAL C . 26972 1 868 . 1 1 190 190 VAL CA C 13 60.281 0.300 . 1 . . . . . 1237 VAL CA . 26972 1 869 . 1 1 190 190 VAL CB C 13 32.440 0.300 . 1 . . . . . 1237 VAL CB . 26972 1 870 . 1 1 190 190 VAL N N 15 127.624 0.300 . 1 . . . . . 1237 VAL N . 26972 1 871 . 1 1 191 191 ASN H H 1 10.346 0.020 . 1 . . . . . 1238 ASN H . 26972 1 872 . 1 1 191 191 ASN C C 13 175.927 0.300 . 1 . . . . . 1238 ASN C . 26972 1 873 . 1 1 191 191 ASN CA C 13 53.876 0.300 . 1 . . . . . 1238 ASN CA . 26972 1 874 . 1 1 191 191 ASN CB C 13 37.287 0.300 . 1 . . . . . 1238 ASN CB . 26972 1 875 . 1 1 191 191 ASN N N 15 130.593 0.300 . 1 . . . . . 1238 ASN N . 26972 1 876 . 1 1 192 192 GLY H H 1 7.895 0.020 . 1 . . . . . 1239 GLY H . 26972 1 877 . 1 1 192 192 GLY C C 13 171.887 0.300 . 1 . . . . . 1239 GLY C . 26972 1 878 . 1 1 192 192 GLY CA C 13 45.049 0.300 . 1 . . . . . 1239 GLY CA . 26972 1 879 . 1 1 192 192 GLY N N 15 102.848 0.300 . 1 . . . . . 1239 GLY N . 26972 1 880 . 1 1 193 193 ASP H H 1 7.699 0.020 . 1 . . . . . 1240 ASP H . 26972 1 881 . 1 1 193 193 ASP C C 13 174.515 0.300 . 1 . . . . . 1240 ASP C . 26972 1 882 . 1 1 193 193 ASP CA C 13 52.090 0.300 . 1 . . . . . 1240 ASP CA . 26972 1 883 . 1 1 193 193 ASP CB C 13 44.211 0.300 . 1 . . . . . 1240 ASP CB . 26972 1 884 . 1 1 193 193 ASP N N 15 121.951 0.300 . 1 . . . . . 1240 ASP N . 26972 1 885 . 1 1 194 194 VAL H H 1 8.108 0.020 . 1 . . . . . 1241 VAL H . 26972 1 886 . 1 1 194 194 VAL C C 13 174.789 0.300 . 1 . . . . . 1241 VAL C . 26972 1 887 . 1 1 194 194 VAL CA C 13 62.049 0.300 . 1 . . . . . 1241 VAL CA . 26972 1 888 . 1 1 194 194 VAL CB C 13 30.836 0.300 . 1 . . . . . 1241 VAL CB . 26972 1 889 . 1 1 194 194 VAL N N 15 124.615 0.300 . 1 . . . . . 1241 VAL N . 26972 1 890 . 1 1 195 195 ARG H H 1 9.088 0.020 . 1 . . . . . 1242 ARG H . 26972 1 891 . 1 1 195 195 ARG C C 13 174.561 0.300 . 1 . . . . . 1242 ARG C . 26972 1 892 . 1 1 195 195 ARG CA C 13 52.812 0.300 . 1 . . . . . 1242 ARG CA . 26972 1 893 . 1 1 195 195 ARG CB C 13 34.328 0.300 . 1 . . . . . 1242 ARG CB . 26972 1 894 . 1 1 195 195 ARG N N 15 127.788 0.300 . 1 . . . . . 1242 ARG N . 26972 1 895 . 1 1 196 196 VAL H H 1 9.057 0.020 . 1 . . . . . 1243 VAL H . 26972 1 896 . 1 1 196 196 VAL C C 13 175.864 0.300 . 1 . . . . . 1243 VAL C . 26972 1 897 . 1 1 196 196 VAL CA C 13 61.706 0.300 . 1 . . . . . 1243 VAL CA . 26972 1 898 . 1 1 196 196 VAL CB C 13 31.792 0.300 . 1 . . . . . 1243 VAL CB . 26972 1 899 . 1 1 196 196 VAL N N 15 120.672 0.300 . 1 . . . . . 1243 VAL N . 26972 1 900 . 1 1 197 197 GLY H H 1 9.500 0.020 . 1 . . . . . 1244 GLY H . 26972 1 901 . 1 1 197 197 GLY C C 13 170.826 0.300 . 1 . . . . . 1244 GLY C . 26972 1 902 . 1 1 197 197 GLY CA C 13 43.538 0.300 . 1 . . . . . 1244 GLY CA . 26972 1 903 . 1 1 197 197 GLY N N 15 114.347 0.300 . 1 . . . . . 1244 GLY N . 26972 1 904 . 1 1 198 198 LEU H H 1 8.210 0.020 . 1 . . . . . 1245 LEU H . 26972 1 905 . 1 1 198 198 LEU C C 13 175.041 0.300 . 1 . . . . . 1245 LEU C . 26972 1 906 . 1 1 198 198 LEU CA C 13 51.454 0.300 . 1 . . . . . 1245 LEU CA . 26972 1 907 . 1 1 198 198 LEU CB C 13 41.784 0.300 . 1 . . . . . 1245 LEU CB . 26972 1 908 . 1 1 198 198 LEU N N 15 122.739 0.300 . 1 . . . . . 1245 LEU N . 26972 1 909 . 1 1 199 199 PHE H H 1 9.138 0.020 . 1 . . . . . 1246 PHE H . 26972 1 910 . 1 1 199 199 PHE C C 13 175.772 0.300 . 1 . . . . . 1246 PHE C . 26972 1 911 . 1 1 199 199 PHE CA C 13 55.421 0.300 . 1 . . . . . 1246 PHE CA . 26972 1 912 . 1 1 199 199 PHE CB C 13 42.911 0.300 . 1 . . . . . 1246 PHE CB . 26972 1 913 . 1 1 199 199 PHE N N 15 120.171 0.300 . 1 . . . . . 1246 PHE N . 26972 1 914 . 1 1 200 200 ALA H H 1 8.667 0.020 . 1 . . . . . 1247 ALA H . 26972 1 915 . 1 1 200 200 ALA C C 13 180.594 0.300 . 1 . . . . . 1247 ALA C . 26972 1 916 . 1 1 200 200 ALA CA C 13 52.536 0.300 . 1 . . . . . 1247 ALA CA . 26972 1 917 . 1 1 200 200 ALA CB C 13 18.591 0.300 . 1 . . . . . 1247 ALA CB . 26972 1 918 . 1 1 200 200 ALA N N 15 125.262 0.300 . 1 . . . . . 1247 ALA N . 26972 1 919 . 1 1 201 201 LEU H H 1 9.862 0.020 . 1 . . . . . 1248 LEU H . 26972 1 920 . 1 1 201 201 LEU C C 13 175.429 0.300 . 1 . . . . . 1248 LEU C . 26972 1 921 . 1 1 201 201 LEU CA C 13 55.181 0.300 . 1 . . . . . 1248 LEU CA . 26972 1 922 . 1 1 201 201 LEU CB C 13 43.061 0.300 . 1 . . . . . 1248 LEU CB . 26972 1 923 . 1 1 201 201 LEU N N 15 126.488 0.300 . 1 . . . . . 1248 LEU N . 26972 1 924 . 1 1 202 202 CYS H H 1 7.871 0.020 . 1 . . . . . 1249 CYS H . 26972 1 925 . 1 1 202 202 CYS C C 13 170.905 0.300 . 1 . . . . . 1249 CYS C . 26972 1 926 . 1 1 202 202 CYS CA C 13 53.220 0.300 . 1 . . . . . 1249 CYS CA . 26972 1 927 . 1 1 202 202 CYS CB C 13 30.313 0.300 . 1 . . . . . 1249 CYS CB . 26972 1 928 . 1 1 202 202 CYS N N 15 113.118 0.300 . 1 . . . . . 1249 CYS N . 26972 1 929 . 1 1 203 203 ASP H H 1 8.375 0.020 . 1 . . . . . 1250 ASP H . 26972 1 930 . 1 1 203 203 ASP C C 13 176.709 0.300 . 1 . . . . . 1250 ASP C . 26972 1 931 . 1 1 203 203 ASP CA C 13 54.474 0.300 . 1 . . . . . 1250 ASP CA . 26972 1 932 . 1 1 203 203 ASP CB C 13 39.154 0.300 . 1 . . . . . 1250 ASP CB . 26972 1 933 . 1 1 203 203 ASP N N 15 119.093 0.300 . 1 . . . . . 1250 ASP N . 26972 1 934 . 1 1 204 204 ILE H H 1 9.275 0.020 . 1 . . . . . 1251 ILE H . 26972 1 935 . 1 1 204 204 ILE CA C 13 58.340 0.300 . 1 . . . . . 1251 ILE CA . 26972 1 936 . 1 1 204 204 ILE CB C 13 40.957 0.300 . 1 . . . . . 1251 ILE CB . 26972 1 937 . 1 1 204 204 ILE N N 15 127.449 0.300 . 1 . . . . . 1251 ILE N . 26972 1 938 . 1 1 205 205 PRO C C 13 175.135 0.300 . 1 . . . . . 1252 PRO C . 26972 1 939 . 1 1 205 205 PRO CA C 13 61.617 0.300 . 1 . . . . . 1252 PRO CA . 26972 1 940 . 1 1 205 205 PRO CB C 13 31.502 0.300 . 1 . . . . . 1252 PRO CB . 26972 1 941 . 1 1 206 206 ALA H H 1 7.871 0.020 . 1 . . . . . 1253 ALA H . 26972 1 942 . 1 1 206 206 ALA C C 13 178.240 0.300 . 1 . . . . . 1253 ALA C . 26972 1 943 . 1 1 206 206 ALA CA C 13 53.257 0.300 . 1 . . . . . 1253 ALA CA . 26972 1 944 . 1 1 206 206 ALA CB C 13 17.443 0.300 . 1 . . . . . 1253 ALA CB . 26972 1 945 . 1 1 206 206 ALA N N 15 120.623 0.300 . 1 . . . . . 1253 ALA N . 26972 1 946 . 1 1 207 207 GLY H H 1 7.989 0.020 . 1 . . . . . 1254 GLY H . 26972 1 947 . 1 1 207 207 GLY C C 13 173.797 0.300 . 1 . . . . . 1254 GLY C . 26972 1 948 . 1 1 207 207 GLY CA C 13 44.706 0.300 . 1 . . . . . 1254 GLY CA . 26972 1 949 . 1 1 207 207 GLY N N 15 110.770 0.300 . 1 . . . . . 1254 GLY N . 26972 1 950 . 1 1 208 208 MET H H 1 7.244 0.020 . 1 . . . . . 1255 MET H . 26972 1 951 . 1 1 208 208 MET C C 13 175.701 0.300 . 1 . . . . . 1255 MET C . 26972 1 952 . 1 1 208 208 MET CA C 13 54.459 0.300 . 1 . . . . . 1255 MET CA . 26972 1 953 . 1 1 208 208 MET CB C 13 32.041 0.300 . 1 . . . . . 1255 MET CB . 26972 1 954 . 1 1 208 208 MET N N 15 120.668 0.300 . 1 . . . . . 1255 MET N . 26972 1 955 . 1 1 209 209 GLU H H 1 8.479 0.020 . 1 . . . . . 1256 GLU H . 26972 1 956 . 1 1 209 209 GLU C C 13 176.024 0.300 . 1 . . . . . 1256 GLU C . 26972 1 957 . 1 1 209 209 GLU CA C 13 56.245 0.300 . 1 . . . . . 1256 GLU CA . 26972 1 958 . 1 1 209 209 GLU CB C 13 28.186 0.300 . 1 . . . . . 1256 GLU CB . 26972 1 959 . 1 1 209 209 GLU N N 15 125.251 0.300 . 1 . . . . . 1256 GLU N . 26972 1 960 . 1 1 210 210 LEU H H 1 9.367 0.020 . 1 . . . . . 1257 LEU H . 26972 1 961 . 1 1 210 210 LEU C C 13 175.521 0.300 . 1 . . . . . 1257 LEU C . 26972 1 962 . 1 1 210 210 LEU CA C 13 53.420 0.300 . 1 . . . . . 1257 LEU CA . 26972 1 963 . 1 1 210 210 LEU CB C 13 42.505 0.300 . 1 . . . . . 1257 LEU CB . 26972 1 964 . 1 1 210 210 LEU N N 15 130.817 0.300 . 1 . . . . . 1257 LEU N . 26972 1 965 . 1 1 211 211 THR H H 1 9.234 0.020 . 1 . . . . . 1258 THR H . 26972 1 966 . 1 1 211 211 THR C C 13 173.076 0.300 . 1 . . . . . 1258 THR C . 26972 1 967 . 1 1 211 211 THR CA C 13 58.718 0.300 . 1 . . . . . 1258 THR CA . 26972 1 968 . 1 1 211 211 THR CB C 13 72.913 0.300 . 1 . . . . . 1258 THR CB . 26972 1 969 . 1 1 211 211 THR N N 15 116.074 0.300 . 1 . . . . . 1258 THR N . 26972 1 970 . 1 1 212 212 PHE H H 1 8.298 0.020 . 1 . . . . . 1259 PHE H . 26972 1 971 . 1 1 212 212 PHE C C 13 172.390 0.300 . 1 . . . . . 1259 PHE C . 26972 1 972 . 1 1 212 212 PHE CA C 13 55.249 0.300 . 1 . . . . . 1259 PHE CA . 26972 1 973 . 1 1 212 212 PHE CB C 13 41.795 0.300 . 1 . . . . . 1259 PHE CB . 26972 1 974 . 1 1 212 212 PHE N N 15 114.147 0.300 . 1 . . . . . 1259 PHE N . 26972 1 975 . 1 1 213 213 ASN H H 1 9.163 0.020 . 1 . . . . . 1260 ASN H . 26972 1 976 . 1 1 213 213 ASN CA C 13 51.609 0.300 . 1 . . . . . 1260 ASN CA . 26972 1 977 . 1 1 213 213 ASN CB C 13 37.930 0.300 . 1 . . . . . 1260 ASN CB . 26972 1 978 . 1 1 213 213 ASN N N 15 120.357 0.300 . 1 . . . . . 1260 ASN N . 26972 1 979 . 1 1 216 216 LEU CA C 13 55.082 0.300 . 1 . . . . . 1263 LEU CA . 26972 1 980 . 1 1 216 216 LEU CB C 13 40.621 0.300 . 1 . . . . . 1263 LEU CB . 26972 1 981 . 1 1 217 217 ASP H H 1 8.438 0.020 . 1 . . . . . 1264 ASP H . 26972 1 982 . 1 1 217 217 ASP C C 13 176.412 0.300 . 1 . . . . . 1264 ASP C . 26972 1 983 . 1 1 217 217 ASP CA C 13 55.601 0.300 . 1 . . . . . 1264 ASP CA . 26972 1 984 . 1 1 217 217 ASP CB C 13 42.410 0.300 . 1 . . . . . 1264 ASP CB . 26972 1 985 . 1 1 217 217 ASP N N 15 118.593 0.300 . 1 . . . . . 1264 ASP N . 26972 1 986 . 1 1 218 218 CYS H H 1 7.962 0.020 . 1 . . . . . 1265 CYS H . 26972 1 987 . 1 1 218 218 CYS C C 13 174.685 0.300 . 1 . . . . . 1265 CYS C . 26972 1 988 . 1 1 218 218 CYS CA C 13 57.734 0.300 . 1 . . . . . 1265 CYS CA . 26972 1 989 . 1 1 218 218 CYS CB C 13 27.602 0.300 . 1 . . . . . 1265 CYS CB . 26972 1 990 . 1 1 218 218 CYS N N 15 117.845 0.300 . 1 . . . . . 1265 CYS N . 26972 1 991 . 1 1 219 219 LEU H H 1 7.214 0.020 . 1 . . . . . 1266 LEU H . 26972 1 992 . 1 1 219 219 LEU C C 13 176.825 0.300 . 1 . . . . . 1266 LEU C . 26972 1 993 . 1 1 219 219 LEU CA C 13 54.267 0.300 . 1 . . . . . 1266 LEU CA . 26972 1 994 . 1 1 219 219 LEU CB C 13 42.789 0.300 . 1 . . . . . 1266 LEU CB . 26972 1 995 . 1 1 219 219 LEU N N 15 122.337 0.300 . 1 . . . . . 1266 LEU N . 26972 1 996 . 1 1 220 220 GLY H H 1 8.042 0.020 . 1 . . . . . 1267 GLY H . 26972 1 997 . 1 1 220 220 GLY C C 13 173.742 0.300 . 1 . . . . . 1267 GLY C . 26972 1 998 . 1 1 220 220 GLY CA C 13 44.500 0.300 . 1 . . . . . 1267 GLY CA . 26972 1 999 . 1 1 220 220 GLY N N 15 106.543 0.300 . 1 . . . . . 1267 GLY N . 26972 1 1000 . 1 1 221 221 ASN H H 1 7.722 0.020 . 1 . . . . . 1268 ASN H . 26972 1 1001 . 1 1 221 221 ASN C C 13 176.138 0.300 . 1 . . . . . 1268 ASN C . 26972 1 1002 . 1 1 221 221 ASN CA C 13 53.901 0.300 . 1 . . . . . 1268 ASN CA . 26972 1 1003 . 1 1 221 221 ASN CB C 13 38.612 0.300 . 1 . . . . . 1268 ASN CB . 26972 1 1004 . 1 1 221 221 ASN N N 15 115.944 0.300 . 1 . . . . . 1268 ASN N . 26972 1 1005 . 1 1 222 222 GLY H H 1 8.241 0.020 . 1 . . . . . 1269 GLY H . 26972 1 1006 . 1 1 222 222 GLY C C 13 174.250 0.300 . 1 . . . . . 1269 GLY C . 26972 1 1007 . 1 1 222 222 GLY CA C 13 46.114 0.300 . 1 . . . . . 1269 GLY CA . 26972 1 1008 . 1 1 222 222 GLY N N 15 109.565 0.300 . 1 . . . . . 1269 GLY N . 26972 1 1009 . 1 1 223 223 ARG H H 1 8.464 0.020 . 1 . . . . . 1270 ARG H . 26972 1 1010 . 1 1 223 223 ARG C C 13 175.635 0.300 . 1 . . . . . 1270 ARG C . 26972 1 1011 . 1 1 223 223 ARG CA C 13 54.871 0.300 . 1 . . . . . 1270 ARG CA . 26972 1 1012 . 1 1 223 223 ARG CB C 13 28.493 0.300 . 1 . . . . . 1270 ARG CB . 26972 1 1013 . 1 1 223 223 ARG N N 15 123.637 0.300 . 1 . . . . . 1270 ARG N . 26972 1 1014 . 1 1 224 224 THR H H 1 8.015 0.020 . 1 . . . . . 1271 THR H . 26972 1 1015 . 1 1 224 224 THR C C 13 173.259 0.300 . 1 . . . . . 1271 THR C . 26972 1 1016 . 1 1 224 224 THR CA C 13 62.998 0.300 . 1 . . . . . 1271 THR CA . 26972 1 1017 . 1 1 224 224 THR CB C 13 69.494 0.300 . 1 . . . . . 1271 THR CB . 26972 1 1018 . 1 1 224 224 THR N N 15 119.992 0.300 . 1 . . . . . 1271 THR N . 26972 1 1019 . 1 1 225 225 GLU H H 1 8.498 0.020 . 1 . . . . . 1272 GLU H . 26972 1 1020 . 1 1 225 225 GLU C C 13 174.605 0.300 . 1 . . . . . 1272 GLU C . 26972 1 1021 . 1 1 225 225 GLU CA C 13 56.211 0.300 . 1 . . . . . 1272 GLU CA . 26972 1 1022 . 1 1 225 225 GLU CB C 13 29.463 0.300 . 1 . . . . . 1272 GLU CB . 26972 1 1023 . 1 1 225 225 GLU N N 15 127.198 0.300 . 1 . . . . . 1272 GLU N . 26972 1 1024 . 1 1 226 226 CYS H H 1 7.036 0.020 . 1 . . . . . 1273 CYS H . 26972 1 1025 . 1 1 226 226 CYS C C 13 176.343 0.300 . 1 . . . . . 1273 CYS C . 26972 1 1026 . 1 1 226 226 CYS CA C 13 58.168 0.300 . 1 . . . . . 1273 CYS CA . 26972 1 1027 . 1 1 226 226 CYS CB C 13 30.744 0.300 . 1 . . . . . 1273 CYS CB . 26972 1 1028 . 1 1 226 226 CYS N N 15 124.386 0.300 . 1 . . . . . 1273 CYS N . 26972 1 1029 . 1 1 227 227 HIS H H 1 10.161 0.020 . 1 . . . . . 1274 HIS H . 26972 1 1030 . 1 1 227 227 HIS C C 13 175.886 0.300 . 1 . . . . . 1274 HIS C . 26972 1 1031 . 1 1 227 227 HIS CA C 13 52.806 0.300 . 1 . . . . . 1274 HIS CA . 26972 1 1032 . 1 1 227 227 HIS CB C 13 28.617 0.300 . 1 . . . . . 1274 HIS CB . 26972 1 1033 . 1 1 227 227 HIS N N 15 127.635 0.300 . 1 . . . . . 1274 HIS N . 26972 1 1034 . 1 1 228 228 CYS H H 1 10.016 0.020 . 1 . . . . . 1275 CYS H . 26972 1 1035 . 1 1 228 228 CYS C C 13 177.166 0.300 . 1 . . . . . 1275 CYS C . 26972 1 1036 . 1 1 228 228 CYS CA C 13 61.463 0.300 . 1 . . . . . 1275 CYS CA . 26972 1 1037 . 1 1 228 228 CYS CB C 13 29.388 0.300 . 1 . . . . . 1275 CYS CB . 26972 1 1038 . 1 1 228 228 CYS N N 15 125.359 0.300 . 1 . . . . . 1275 CYS N . 26972 1 1039 . 1 1 229 229 GLY H H 1 9.215 0.020 . 1 . . . . . 1276 GLY H . 26972 1 1040 . 1 1 229 229 GLY C C 13 173.896 0.300 . 1 . . . . . 1276 GLY C . 26972 1 1041 . 1 1 229 229 GLY CA C 13 45.353 0.300 . 1 . . . . . 1276 GLY CA . 26972 1 1042 . 1 1 229 229 GLY N N 15 113.218 0.300 . 1 . . . . . 1276 GLY N . 26972 1 1043 . 1 1 230 230 ALA H H 1 9.110 0.020 . 1 . . . . . 1277 ALA H . 26972 1 1044 . 1 1 230 230 ALA C C 13 179.406 0.300 . 1 . . . . . 1277 ALA C . 26972 1 1045 . 1 1 230 230 ALA CA C 13 52.086 0.300 . 1 . . . . . 1277 ALA CA . 26972 1 1046 . 1 1 230 230 ALA CB C 13 20.523 0.300 . 1 . . . . . 1277 ALA CB . 26972 1 1047 . 1 1 230 230 ALA N N 15 127.298 0.300 . 1 . . . . . 1277 ALA N . 26972 1 1048 . 1 1 231 231 ASP H H 1 8.958 0.020 . 1 . . . . . 1278 ASP H . 26972 1 1049 . 1 1 231 231 ASP C C 13 176.435 0.300 . 1 . . . . . 1278 ASP C . 26972 1 1050 . 1 1 231 231 ASP CA C 13 56.280 0.300 . 1 . . . . . 1278 ASP CA . 26972 1 1051 . 1 1 231 231 ASP CB C 13 39.404 0.300 . 1 . . . . . 1278 ASP CB . 26972 1 1052 . 1 1 231 231 ASP N N 15 123.076 0.300 . 1 . . . . . 1278 ASP N . 26972 1 1053 . 1 1 232 232 ASN H H 1 8.104 0.020 . 1 . . . . . 1279 ASN H . 26972 1 1054 . 1 1 232 232 ASN C C 13 174.310 0.300 . 1 . . . . . 1279 ASN C . 26972 1 1055 . 1 1 232 232 ASN CA C 13 51.368 0.300 . 1 . . . . . 1279 ASN CA . 26972 1 1056 . 1 1 232 232 ASN CB C 13 36.390 0.300 . 1 . . . . . 1279 ASN CB . 26972 1 1057 . 1 1 232 232 ASN N N 15 115.494 0.300 . 1 . . . . . 1279 ASN N . 26972 1 1058 . 1 1 233 233 CYS H H 1 6.931 0.020 . 1 . . . . . 1280 CYS H . 26972 1 1059 . 1 1 233 233 CYS C C 13 177.806 0.300 . 1 . . . . . 1280 CYS C . 26972 1 1060 . 1 1 233 233 CYS CA C 13 58.168 0.300 . 1 . . . . . 1280 CYS CA . 26972 1 1061 . 1 1 233 233 CYS CB C 13 28.693 0.300 . 1 . . . . . 1280 CYS CB . 26972 1 1062 . 1 1 233 233 CYS N N 15 121.638 0.300 . 1 . . . . . 1280 CYS N . 26972 1 1063 . 1 1 234 234 SER H H 1 9.746 0.020 . 1 . . . . . 1281 SER H . 26972 1 1064 . 1 1 234 234 SER C C 13 175.475 0.300 . 1 . . . . . 1281 SER C . 26972 1 1065 . 1 1 234 234 SER CA C 13 59.199 0.300 . 1 . . . . . 1281 SER CA . 26972 1 1066 . 1 1 234 234 SER CB C 13 63.922 0.300 . 1 . . . . . 1281 SER CB . 26972 1 1067 . 1 1 234 234 SER N N 15 130.517 0.300 . 1 . . . . . 1281 SER N . 26972 1 1068 . 1 1 235 235 GLY H H 1 9.803 0.020 . 1 . . . . . 1282 GLY H . 26972 1 1069 . 1 1 235 235 GLY C C 13 173.920 0.300 . 1 . . . . . 1282 GLY C . 26972 1 1070 . 1 1 235 235 GLY CA C 13 43.985 0.300 . 1 . . . . . 1282 GLY CA . 26972 1 1071 . 1 1 235 235 GLY N N 15 116.401 0.300 . 1 . . . . . 1282 GLY N . 26972 1 1072 . 1 1 236 236 PHE H H 1 8.001 0.020 . 1 . . . . . 1283 PHE H . 26972 1 1073 . 1 1 236 236 PHE C C 13 173.503 0.300 . 1 . . . . . 1283 PHE C . 26972 1 1074 . 1 1 236 236 PHE CA C 13 56.387 0.300 . 1 . . . . . 1283 PHE CA . 26972 1 1075 . 1 1 236 236 PHE CB C 13 42.234 0.300 . 1 . . . . . 1283 PHE CB . 26972 1 1076 . 1 1 236 236 PHE N N 15 120.889 0.300 . 1 . . . . . 1283 PHE N . 26972 1 1077 . 1 1 237 237 LEU H H 1 8.396 0.020 . 1 . . . . . 1284 LEU H . 26972 1 1078 . 1 1 237 237 LEU C C 13 176.437 0.300 . 1 . . . . . 1284 LEU C . 26972 1 1079 . 1 1 237 237 LEU CA C 13 53.805 0.300 . 1 . . . . . 1284 LEU CA . 26972 1 1080 . 1 1 237 237 LEU CB C 13 38.097 0.300 . 1 . . . . . 1284 LEU CB . 26972 1 1081 . 1 1 237 237 LEU N N 15 121.788 0.300 . 1 . . . . . 1284 LEU N . 26972 1 1082 . 1 1 238 238 GLY H H 1 7.365 0.020 . 1 . . . . . 1285 GLY H . 26972 1 1083 . 1 1 238 238 GLY C C 13 173.510 0.300 . 1 . . . . . 1285 GLY C . 26972 1 1084 . 1 1 238 238 GLY CA C 13 44.530 0.300 . 1 . . . . . 1285 GLY CA . 26972 1 1085 . 1 1 238 238 GLY N N 15 109.748 0.300 . 1 . . . . . 1285 GLY N . 26972 1 1086 . 1 1 239 239 VAL H H 1 7.339 0.020 . 1 . . . . . 1286 VAL H . 26972 1 1087 . 1 1 239 239 VAL C C 13 175.087 0.300 . 1 . . . . . 1286 VAL C . 26972 1 1088 . 1 1 239 239 VAL CA C 13 60.604 0.300 . 1 . . . . . 1286 VAL CA . 26972 1 1089 . 1 1 239 239 VAL CB C 13 32.468 0.300 . 1 . . . . . 1286 VAL CB . 26972 1 1090 . 1 1 239 239 VAL N N 15 119.541 0.300 . 1 . . . . . 1286 VAL N . 26972 1 1091 . 1 1 240 240 ARG H H 1 8.335 0.020 . 1 . . . . . 1287 ARG H . 26972 1 1092 . 1 1 240 240 ARG CA C 13 53.635 0.300 . 1 . . . . . 1287 ARG CA . 26972 1 1093 . 1 1 240 240 ARG CB C 13 29.088 0.300 . 1 . . . . . 1287 ARG CB . 26972 1 1094 . 1 1 240 240 ARG N N 15 126.829 0.300 . 1 . . . . . 1287 ARG N . 26972 1 1095 . 1 1 241 241 PRO C C 13 176.535 0.300 . 1 . . . . . 1288 PRO C . 26972 1 1096 . 1 1 241 241 PRO CA C 13 62.393 0.300 . 1 . . . . . 1288 PRO CA . 26972 1 1097 . 1 1 241 241 PRO CB C 13 31.228 0.300 . 1 . . . . . 1288 PRO CB . 26972 1 1098 . 1 1 242 242 LYS H H 1 8.366 0.020 . 1 . . . . . 1289 LYS H . 26972 1 1099 . 1 1 242 242 LYS C C 13 175.996 0.300 . 1 . . . . . 1289 LYS C . 26972 1 1100 . 1 1 242 242 LYS CA C 13 56.108 0.300 . 1 . . . . . 1289 LYS CA . 26972 1 1101 . 1 1 242 242 LYS CB C 13 31.889 0.300 . 1 . . . . . 1289 LYS CB . 26972 1 1102 . 1 1 242 242 LYS N N 15 122.486 0.300 . 1 . . . . . 1289 LYS N . 26972 1 1103 . 1 1 243 243 SER H H 1 7.864 0.020 . 1 . . . . . 1290 SER H . 26972 1 1104 . 1 1 243 243 SER C C 13 178.559 0.300 . 1 . . . . . 1290 SER C . 26972 1 1105 . 1 1 243 243 SER CA C 13 59.405 0.300 . 1 . . . . . 1290 SER CA . 26972 1 1106 . 1 1 243 243 SER CB C 13 64.064 0.300 . 1 . . . . . 1290 SER CB . 26972 1 1107 . 1 1 243 243 SER N N 15 122.870 0.300 . 1 . . . . . 1290 SER N . 26972 1 1108 . 1 1 244 244 ALA C C 13 177.155 0.300 . 1 . . . . . 1291 ALA C . 26972 1 1109 . 1 1 244 244 ALA CA C 13 53.876 0.300 . 1 . . . . . 1291 ALA CA . 26972 1 1110 . 1 1 244 244 ALA CB C 13 16.842 0.300 . 1 . . . . . 1291 ALA CB . 26972 1 1111 . 1 1 245 245 CYS H H 1 8.372 0.020 . 1 . . . . . 1292 CYS H . 26972 1 1112 . 1 1 245 245 CYS C C 13 174.104 0.300 . 1 . . . . . 1292 CYS C . 26972 1 1113 . 1 1 245 245 CYS CA C 13 57.825 0.300 . 1 . . . . . 1292 CYS CA . 26972 1 1114 . 1 1 245 245 CYS CB C 13 27.471 0.300 . 1 . . . . . 1292 CYS CB . 26972 1 1115 . 1 1 245 245 CYS N N 15 121.287 0.300 . 1 . . . . . 1292 CYS N . 26972 1 1116 . 1 1 246 246 ALA H H 1 8.562 0.020 . 1 . . . . . 1293 ALA H . 26972 1 1117 . 1 1 246 246 ALA C C 13 177.737 0.300 . 1 . . . . . 1293 ALA C . 26972 1 1118 . 1 1 246 246 ALA CA C 13 52.167 0.300 . 1 . . . . . 1293 ALA CA . 26972 1 1119 . 1 1 246 246 ALA CB C 13 18.387 0.300 . 1 . . . . . 1293 ALA CB . 26972 1 1120 . 1 1 246 246 ALA N N 15 127.696 0.300 . 1 . . . . . 1293 ALA N . 26972 1 1121 . 1 1 247 247 SER H H 1 8.325 0.020 . 1 . . . . . 1294 SER H . 26972 1 1122 . 1 1 247 247 SER C C 13 174.789 0.300 . 1 . . . . . 1294 SER C . 26972 1 1123 . 1 1 247 247 SER CA C 13 57.791 0.300 . 1 . . . . . 1294 SER CA . 26972 1 1124 . 1 1 247 247 SER CB C 13 63.119 0.300 . 1 . . . . . 1294 SER CB . 26972 1 1125 . 1 1 247 247 SER N N 15 115.949 0.300 . 1 . . . . . 1294 SER N . 26972 1 1126 . 1 1 248 248 THR H H 1 8.166 0.020 . 1 . . . . . 1295 THR H . 26972 1 1127 . 1 1 248 248 THR C C 13 174.447 0.300 . 1 . . . . . 1295 THR C . 26972 1 1128 . 1 1 248 248 THR CA C 13 61.397 0.300 . 1 . . . . . 1295 THR CA . 26972 1 1129 . 1 1 248 248 THR CB C 13 69.204 0.300 . 1 . . . . . 1295 THR CB . 26972 1 1130 . 1 1 248 248 THR N N 15 116.018 0.300 . 1 . . . . . 1295 THR N . 26972 1 1131 . 1 1 249 249 ASN H H 1 8.395 0.020 . 1 . . . . . 1296 ASN H . 26972 1 1132 . 1 1 249 249 ASN C C 13 175.247 0.300 . 1 . . . . . 1296 ASN C . 26972 1 1133 . 1 1 249 249 ASN CA C 13 53.189 0.300 . 1 . . . . . 1296 ASN CA . 26972 1 1134 . 1 1 249 249 ASN CB C 13 38.205 0.300 . 1 . . . . . 1296 ASN CB . 26972 1 1135 . 1 1 249 249 ASN N N 15 121.006 0.300 . 1 . . . . . 1296 ASN N . 26972 1 1136 . 1 1 250 250 GLU H H 1 8.274 0.020 . 1 . . . . . 1297 GLU H . 26972 1 1137 . 1 1 250 250 GLU CA C 13 56.314 0.300 . 1 . . . . . 1297 GLU CA . 26972 1 1138 . 1 1 250 250 GLU CB C 13 29.286 0.300 . 1 . . . . . 1297 GLU CB . 26972 1 1139 . 1 1 250 250 GLU N N 15 121.723 0.300 . 1 . . . . . 1297 GLU N . 26972 1 stop_ save_