data_18432 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of polymerase-interacting domain of human Rev1 in complex with translesional synthesis polymerase kappa ; _BMRB_accession_number 18432 _BMRB_flat_file_name bmr18432.str _Entry_type original _Submission_date 2012-05-01 _Accession_date 2012-05-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Dinan . . 2 Ryu Kyoung-Seok . . 3 Ko Junsang . . 4 Choi Byong-Seok . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 701 "13C chemical shifts" 520 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-21 update BMRB 'update entry citation' 2013-04-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Insights into the regulation of human Rev1 for translesion synthesis polymerases revealed by the structural studies on its polymerase-interacting domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23220741 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Dinan . . 2 Ryu Kyoung-Seok . . 3 Ko Junsang . . 4 Sun Dawei . . 5 Lim Kyungeun . . 6 Lee Jie-Oh . . 7 Hwang 'Jung Me' . . 8 Lee Zee-Won . . 9 Choi Byong-Seok . . stop_ _Journal_abbreviation 'J. Mol. Cell Biol.' _Journal_name_full 'Journal of molecular cell biology' _Journal_volume 5 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 204 _Page_last 206 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rev1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rev1 $Rev1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rev1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rev1 _Molecular_mass 27163.572 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 232 _Mol_residue_sequence ; GHMAPNLAGAVEFNDVKTLL REWITTISDPMEEDILQVVK YCTDLIEEKDLEKLDLVIKY MKRLMQQSVESVWNMAFDFI LDNVQVVLQQTYGSTLKVTG SHKKSFFDKKRSERKWGHMA PNLAGAVEFNDVKTLLREWI TTISDPMEEDILQVVKYCTD LIEEKDLEKLDLVIKYMKRL MQQSVESVWNMAFDFILDNV QVVLQQTYGSTLKVTGSHKK SFFDKKRSERKW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1153 GLY 2 1154 HIS 3 1155 MET 4 1156 ALA 5 1157 PRO 6 1158 ASN 7 1159 LEU 8 1160 ALA 9 1161 GLY 10 1162 ALA 11 1163 VAL 12 1164 GLU 13 1165 PHE 14 1166 ASN 15 1167 ASP 16 1168 VAL 17 1169 LYS 18 1170 THR 19 1171 LEU 20 1172 LEU 21 1173 ARG 22 1174 GLU 23 1175 TRP 24 1176 ILE 25 1177 THR 26 1178 THR 27 1179 ILE 28 1180 SER 29 1181 ASP 30 1182 PRO 31 1183 MET 32 1184 GLU 33 1185 GLU 34 1186 ASP 35 1187 ILE 36 1188 LEU 37 1189 GLN 38 1190 VAL 39 1191 VAL 40 1192 LYS 41 1193 TYR 42 1194 CYS 43 1195 THR 44 1196 ASP 45 1197 LEU 46 1198 ILE 47 1199 GLU 48 1200 GLU 49 1201 LYS 50 1202 ASP 51 1203 LEU 52 1204 GLU 53 1205 LYS 54 1206 LEU 55 1207 ASP 56 1208 LEU 57 1209 VAL 58 1210 ILE 59 1211 LYS 60 1212 TYR 61 1213 MET 62 1214 LYS 63 1215 ARG 64 1216 LEU 65 1217 MET 66 1218 GLN 67 1219 GLN 68 1220 SER 69 1221 VAL 70 1222 GLU 71 1223 SER 72 1224 VAL 73 1225 TRP 74 1226 ASN 75 1227 MET 76 1228 ALA 77 1229 PHE 78 1230 ASP 79 1231 PHE 80 1232 ILE 81 1233 LEU 82 1234 ASP 83 1235 ASN 84 1236 VAL 85 1237 GLN 86 1238 VAL 87 1239 VAL 88 1240 LEU 89 1241 GLN 90 1242 GLN 91 1243 THR 92 1244 TYR 93 1245 GLY 94 1246 SER 95 1247 THR 96 1248 LEU 97 1249 LYS 98 1250 VAL 99 1251 THR 100 1252 GLY 101 1253 SER 102 1254 HIS 103 1255 LYS 104 1256 LYS 105 1257 SER 106 1258 PHE 107 1259 PHE 108 1260 ASP 109 1261 LYS 110 1262 LYS 111 1263 ARG 112 1264 SER 113 1265 GLU 114 1266 ARG 115 1267 LYS 116 1268 TRP 117 1269 GLY 118 1270 HIS 119 1271 MET 120 1272 ALA 121 1273 PRO 122 1274 ASN 123 1275 LEU 124 1276 ALA 125 1277 GLY 126 1278 ALA 127 1279 VAL 128 1280 GLU 129 1281 PHE 130 1282 ASN 131 1283 ASP 132 1284 VAL 133 1285 LYS 134 1286 THR 135 1287 LEU 136 1288 LEU 137 1289 ARG 138 1290 GLU 139 1291 TRP 140 1292 ILE 141 1293 THR 142 1294 THR 143 1295 ILE 144 1296 SER 145 1297 ASP 146 1298 PRO 147 1299 MET 148 1300 GLU 149 1301 GLU 150 1302 ASP 151 1303 ILE 152 1304 LEU 153 1305 GLN 154 1306 VAL 155 1307 VAL 156 1308 LYS 157 1309 TYR 158 1310 CYS 159 1311 THR 160 1312 ASP 161 1313 LEU 162 1314 ILE 163 1315 GLU 164 1316 GLU 165 1317 LYS 166 1318 ASP 167 1319 LEU 168 1320 GLU 169 1321 LYS 170 1322 LEU 171 1323 ASP 172 1324 LEU 173 1325 VAL 174 1326 ILE 175 1327 LYS 176 1328 TYR 177 1329 MET 178 1330 LYS 179 1331 ARG 180 1332 LEU 181 1333 MET 182 1334 GLN 183 1335 GLN 184 1336 SER 185 1337 VAL 186 1338 GLU 187 1339 SER 188 1340 VAL 189 1341 TRP 190 1342 ASN 191 1343 MET 192 1344 ALA 193 1345 PHE 194 1346 ASP 195 1347 PHE 196 1348 ILE 197 1349 LEU 198 1350 ASP 199 1351 ASN 200 1352 VAL 201 1353 GLN 202 1354 VAL 203 1355 VAL 204 1356 LEU 205 1357 GLN 206 1358 GLN 207 1359 THR 208 1360 TYR 209 1361 GLY 210 1362 SER 211 1363 THR 212 1364 LEU 213 1365 LYS 214 1366 VAL 215 1367 THR 216 1368 GLY 217 1369 SER 218 1370 HIS 219 1371 LYS 220 1372 LYS 221 1373 SER 222 1374 PHE 223 1375 PHE 224 1376 ASP 225 1377 LYS 226 1378 LYS 227 1379 ARG 228 1380 SER 229 1381 GLU 230 1382 ARG 231 1383 LYS 232 1384 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rev1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Rev1 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rev1 0.8 mM '[U-99% 13C; U-99% 15N]' Bis-Tris 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aromatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rev1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1154 2 HIS HA H 4.654 0.020 . 2 1154 2 HIS HB2 H 3.134 0.020 . 3 1154 2 HIS HB3 H 3.134 0.020 . 4 1154 2 HIS HD2 H 7.126 0.020 . 5 1154 2 HIS HE1 H 8.222 0.020 . 6 1154 2 HIS C C 174.548 0.400 . 7 1154 2 HIS CA C 50.742 0.400 . 8 1154 2 HIS CB C 30.290 0.400 . 9 1154 2 HIS CE1 C 137.532 0.400 . 10 1155 3 MET H H 8.329 0.020 . 11 1155 3 MET HA H 4.466 0.020 . 12 1155 3 MET HB2 H 1.862 0.020 . 13 1155 3 MET HB3 H 1.963 0.020 . 14 1155 3 MET HG2 H 2.470 0.020 . 15 1155 3 MET HG3 H 2.470 0.020 . 16 1155 3 MET C C 174.831 0.400 . 17 1155 3 MET CA C 54.575 0.400 . 18 1155 3 MET CB C 33.338 0.400 . 19 1155 3 MET CG C 31.710 0.400 . 20 1155 3 MET N N 123.365 0.400 . 21 1156 4 ALA H H 8.258 0.020 . 22 1156 4 ALA HA H 4.490 0.020 . 23 1156 4 ALA HB H 1.344 0.020 . 24 1156 4 ALA CA C 50.717 0.400 . 25 1156 4 ALA CB C 17.938 0.400 . 26 1156 4 ALA N N 127.111 0.400 . 27 1157 5 PRO HA H 4.615 0.020 . 28 1157 5 PRO HB2 H 2.162 0.020 . 29 1157 5 PRO HB3 H 1.903 0.020 . 30 1157 5 PRO HG2 H 1.814 0.020 . 31 1157 5 PRO HG3 H 1.991 0.020 . 32 1157 5 PRO HD2 H 3.609 0.020 . 33 1157 5 PRO HD3 H 3.918 0.020 . 34 1157 5 PRO C C 175.774 0.400 . 35 1157 5 PRO CA C 63.265 0.400 . 36 1157 5 PRO CB C 32.058 0.400 . 37 1157 5 PRO CG C 28.184 0.400 . 38 1157 5 PRO CD C 50.444 0.400 . 39 1158 6 ASN H H 9.079 0.020 . 40 1158 6 ASN HA H 5.283 0.020 . 41 1158 6 ASN HB2 H 2.423 0.020 . 42 1158 6 ASN HB3 H 1.680 0.020 . 43 1158 6 ASN HD21 H 6.994 0.020 . 44 1158 6 ASN HD22 H 7.404 0.020 . 45 1158 6 ASN C C 171.224 0.400 . 46 1158 6 ASN CA C 52.605 0.400 . 47 1158 6 ASN CB C 44.418 0.400 . 48 1158 6 ASN N N 119.831 0.400 . 49 1158 6 ASN ND2 N 115.077 0.400 . 50 1159 7 LEU H H 8.175 0.020 . 51 1159 7 LEU HA H 4.259 0.020 . 52 1159 7 LEU HB2 H -0.018 0.020 . 53 1159 7 LEU HB3 H 1.208 0.020 . 54 1159 7 LEU HG H 0.636 0.020 . 55 1159 7 LEU HD1 H 0.352 0.020 . 56 1159 7 LEU HD2 H -0.067 0.020 . 57 1159 7 LEU C C 174.607 0.400 . 58 1159 7 LEU CA C 52.410 0.400 . 59 1159 7 LEU CB C 42.966 0.400 . 60 1159 7 LEU CG C 27.156 0.400 . 61 1159 7 LEU CD1 C 26.518 0.400 . 62 1159 7 LEU CD2 C 21.690 0.400 . 63 1159 7 LEU N N 123.370 0.400 . 64 1160 8 ALA H H 9.286 0.020 . 65 1160 8 ALA HA H 3.710 0.020 . 66 1160 8 ALA HB H 1.545 0.020 . 67 1160 8 ALA C C 174.919 0.400 . 68 1160 8 ALA CA C 52.529 0.400 . 69 1160 8 ALA CB C 19.169 0.400 . 70 1160 8 ALA N N 126.818 0.400 . 71 1161 9 GLY H H 7.910 0.020 . 72 1161 9 GLY HA2 H 3.255 0.020 . 73 1161 9 GLY HA3 H 4.213 0.020 . 74 1161 9 GLY C C 173.420 0.400 . 75 1161 9 GLY CA C 44.903 0.400 . 76 1161 9 GLY N N 102.488 0.400 . 77 1162 10 ALA H H 7.934 0.020 . 78 1162 10 ALA HA H 4.001 0.020 . 79 1162 10 ALA HB H 1.001 0.020 . 80 1162 10 ALA C C 175.418 0.400 . 81 1162 10 ALA CA C 52.347 0.400 . 82 1162 10 ALA CB C 19.083 0.400 . 83 1162 10 ALA N N 125.179 0.400 . 84 1163 11 VAL H H 8.357 0.020 . 85 1163 11 VAL HA H 4.295 0.020 . 86 1163 11 VAL HB H 1.900 0.020 . 87 1163 11 VAL HG1 H 0.893 0.020 . 88 1163 11 VAL HG2 H 0.893 0.020 . 89 1163 11 VAL C C 177.554 0.400 . 90 1163 11 VAL CA C 62.313 0.400 . 91 1163 11 VAL CB C 35.128 0.400 . 92 1163 11 VAL CG1 C 21.087 0.400 . 93 1163 11 VAL CG2 C 21.146 0.400 . 94 1163 11 VAL N N 118.598 0.400 . 95 1164 12 GLU H H 8.881 0.020 . 96 1164 12 GLU HA H 4.256 0.020 . 97 1164 12 GLU HB2 H 2.037 0.020 . 98 1164 12 GLU HB3 H 2.289 0.020 . 99 1164 12 GLU HG2 H 2.530 0.020 . 100 1164 12 GLU HG3 H 2.530 0.020 . 101 1164 12 GLU C C 178.626 0.400 . 102 1164 12 GLU CA C 56.408 0.400 . 103 1164 12 GLU CB C 29.161 0.400 . 104 1164 12 GLU CG C 36.217 0.400 . 105 1164 12 GLU N N 122.811 0.400 . 106 1165 13 PHE HA H 4.262 0.020 . 107 1165 13 PHE HB2 H 3.017 0.020 . 108 1165 13 PHE HB3 H 3.250 0.020 . 109 1165 13 PHE HD1 H 7.212 0.020 . 110 1165 13 PHE HD2 H 7.212 0.020 . 111 1165 13 PHE HE1 H 7.155 0.020 . 112 1165 13 PHE HE2 H 7.155 0.020 . 113 1165 13 PHE HZ H 6.982 0.020 . 114 1165 13 PHE C C 176.695 0.400 . 115 1165 13 PHE CA C 61.335 0.400 . 116 1165 13 PHE CB C 38.796 0.400 . 117 1165 13 PHE CD1 C 131.591 0.400 . 118 1165 13 PHE CD2 C 130.988 0.400 . 119 1165 13 PHE CE1 C 130.875 0.400 . 120 1165 13 PHE CE2 C 131.007 0.400 . 121 1165 13 PHE CZ C 129.298 0.400 . 122 1166 14 ASN H H 9.248 0.020 . 123 1166 14 ASN HA H 4.016 0.020 . 124 1166 14 ASN HB2 H 2.718 0.020 . 125 1166 14 ASN HB3 H 2.787 0.020 . 126 1166 14 ASN HD21 H 6.947 0.020 . 127 1166 14 ASN HD22 H 7.749 0.020 . 128 1166 14 ASN C C 177.586 0.400 . 129 1166 14 ASN CA C 56.693 0.400 . 130 1166 14 ASN CB C 37.794 0.400 . 131 1166 14 ASN N N 115.057 0.400 . 132 1166 14 ASN ND2 N 113.508 0.400 . 133 1167 15 ASP H H 7.133 0.020 . 134 1167 15 ASP HA H 4.457 0.020 . 135 1167 15 ASP HB2 H 2.544 0.020 . 136 1167 15 ASP HB3 H 2.765 0.020 . 137 1167 15 ASP C C 177.894 0.400 . 138 1167 15 ASP CA C 56.950 0.400 . 139 1167 15 ASP CB C 40.871 0.400 . 140 1167 15 ASP N N 119.402 0.400 . 141 1168 16 VAL H H 7.914 0.020 . 142 1168 16 VAL HA H 3.211 0.020 . 143 1168 16 VAL HB H 2.013 0.020 . 144 1168 16 VAL HG1 H 0.683 0.020 . 145 1168 16 VAL HG2 H 0.730 0.020 . 146 1168 16 VAL C C 177.742 0.400 . 147 1168 16 VAL CA C 67.484 0.400 . 148 1168 16 VAL CB C 32.007 0.400 . 149 1168 16 VAL CG1 C 22.070 0.400 . 150 1168 16 VAL CG2 C 20.495 0.400 . 151 1168 16 VAL N N 123.245 0.400 . 152 1169 17 LYS H H 8.351 0.020 . 153 1169 17 LYS HA H 3.479 0.020 . 154 1169 17 LYS HB2 H 0.984 0.020 . 155 1169 17 LYS HB3 H 1.151 0.020 . 156 1169 17 LYS HG2 H 0.073 0.020 . 157 1169 17 LYS HG3 H 0.332 0.020 . 158 1169 17 LYS HD2 H 0.964 0.020 . 159 1169 17 LYS HD3 H 0.809 0.020 . 160 1169 17 LYS HE2 H 2.151 0.020 . 161 1169 17 LYS HE3 H 2.315 0.020 . 162 1169 17 LYS C C 178.395 0.400 . 163 1169 17 LYS CA C 60.556 0.400 . 164 1169 17 LYS CB C 31.459 0.400 . 165 1169 17 LYS CG C 24.457 0.400 . 166 1169 17 LYS CD C 29.694 0.400 . 167 1169 17 LYS CE C 41.249 0.400 . 168 1169 17 LYS N N 117.909 0.400 . 169 1170 18 THR H H 7.529 0.020 . 170 1170 18 THR HA H 3.867 0.020 . 171 1170 18 THR HB H 4.368 0.020 . 172 1170 18 THR HG2 H 1.312 0.020 . 173 1170 18 THR C C 176.712 0.400 . 174 1170 18 THR CA C 66.823 0.400 . 175 1170 18 THR CB C 68.814 0.400 . 176 1170 18 THR CG2 C 21.860 0.400 . 177 1170 18 THR N N 116.314 0.400 . 178 1171 19 LEU H H 7.750 0.020 . 179 1171 19 LEU HA H 4.359 0.020 . 180 1171 19 LEU HB2 H 1.616 0.020 . 181 1171 19 LEU HB3 H 2.088 0.020 . 182 1171 19 LEU HG H 1.810 0.020 . 183 1171 19 LEU HD1 H 0.913 0.020 . 184 1171 19 LEU HD2 H 0.935 0.020 . 185 1171 19 LEU C C 178.897 0.400 . 186 1171 19 LEU CA C 58.416 0.400 . 187 1171 19 LEU CB C 43.387 0.400 . 188 1171 19 LEU CG C 27.093 0.400 . 189 1171 19 LEU CD1 C 26.981 0.400 . 190 1171 19 LEU CD2 C 24.996 0.400 . 191 1171 19 LEU N N 123.304 0.400 . 192 1172 20 LEU H H 8.489 0.020 . 193 1172 20 LEU HA H 4.385 0.020 . 194 1172 20 LEU HB2 H 1.441 0.020 . 195 1172 20 LEU HB3 H 2.300 0.020 . 196 1172 20 LEU HG H 1.943 0.020 . 197 1172 20 LEU HD1 H 1.177 0.020 . 198 1172 20 LEU HD2 H 0.997 0.020 . 199 1172 20 LEU C C 178.195 0.400 . 200 1172 20 LEU CA C 58.474 0.400 . 201 1172 20 LEU CB C 42.929 0.400 . 202 1172 20 LEU CG C 26.851 0.400 . 203 1172 20 LEU CD1 C 23.860 0.400 . 204 1172 20 LEU CD2 C 26.906 0.400 . 205 1172 20 LEU N N 118.131 0.400 . 206 1173 21 ARG H H 8.698 0.020 . 207 1173 21 ARG HA H 3.861 0.020 . 208 1173 21 ARG HB2 H 1.990 0.020 . 209 1173 21 ARG HB3 H 2.343 0.020 . 210 1173 21 ARG HG2 H 1.535 0.020 . 211 1173 21 ARG HG3 H 1.535 0.020 . 212 1173 21 ARG HD2 H 3.232 0.020 . 213 1173 21 ARG HD3 H 3.232 0.020 . 214 1173 21 ARG C C 179.531 0.400 . 215 1173 21 ARG CA C 60.000 0.400 . 216 1173 21 ARG CB C 29.492 0.400 . 217 1173 21 ARG CG C 27.698 0.400 . 218 1173 21 ARG CD C 43.369 0.400 . 219 1173 21 ARG N N 117.684 0.400 . 220 1174 22 GLU H H 8.353 0.020 . 221 1174 22 GLU HA H 3.904 0.020 . 222 1174 22 GLU HB2 H 2.354 0.020 . 223 1174 22 GLU HB3 H 2.354 0.020 . 224 1174 22 GLU HG2 H 2.283 0.020 . 225 1174 22 GLU HG3 H 2.534 0.020 . 226 1174 22 GLU C C 178.147 0.400 . 227 1174 22 GLU CA C 60.128 0.400 . 228 1174 22 GLU CB C 29.957 0.400 . 229 1174 22 GLU CG C 36.625 0.400 . 230 1174 22 GLU N N 122.361 0.400 . 231 1175 23 TRP H H 8.354 0.020 . 232 1175 23 TRP HA H 3.025 0.020 . 233 1175 23 TRP HB2 H 2.650 0.020 . 234 1175 23 TRP HB3 H 2.650 0.020 . 235 1175 23 TRP HD1 H 6.124 0.020 . 236 1175 23 TRP HE1 H 10.645 0.020 . 237 1175 23 TRP HZ2 H 7.314 0.020 . 238 1175 23 TRP HZ3 H 7.081 0.020 . 239 1175 23 TRP HH2 H 7.112 0.020 . 240 1175 23 TRP C C 175.088 0.400 . 241 1175 23 TRP CA C 59.052 0.400 . 242 1175 23 TRP CB C 28.827 0.400 . 243 1175 23 TRP CD1 C 126.261 0.400 . 244 1175 23 TRP CZ2 C 114.298 0.400 . 245 1175 23 TRP CH2 C 122.924 0.400 . 246 1175 23 TRP N N 123.249 0.400 . 247 1175 23 TRP NE1 N 128.390 0.400 . 248 1176 24 ILE H H 7.649 0.020 . 249 1176 24 ILE HA H 2.512 0.020 . 250 1176 24 ILE HB H 0.955 0.020 . 251 1176 24 ILE HG12 H -0.396 0.020 . 252 1176 24 ILE HG13 H 1.103 0.020 . 253 1176 24 ILE HG2 H -0.320 0.020 . 254 1176 24 ILE HD1 H 0.545 0.020 . 255 1176 24 ILE C C 177.078 0.400 . 256 1176 24 ILE CA C 62.617 0.400 . 257 1176 24 ILE CB C 38.540 0.400 . 258 1176 24 ILE CG1 C 29.340 0.400 . 259 1176 24 ILE CG2 C 16.726 0.400 . 260 1176 24 ILE CD1 C 16.098 0.400 . 261 1176 24 ILE N N 113.100 0.400 . 262 1177 25 THR H H 7.692 0.020 . 263 1177 25 THR HA H 4.099 0.020 . 264 1177 25 THR HB H 4.222 0.020 . 265 1177 25 THR HG2 H 1.183 0.020 . 266 1177 25 THR C C 176.739 0.400 . 267 1177 25 THR CA C 63.670 0.400 . 268 1177 25 THR CB C 70.329 0.400 . 269 1177 25 THR CG2 C 21.246 0.400 . 270 1177 25 THR N N 105.730 0.400 . 271 1178 26 THR H H 7.498 0.020 . 272 1178 26 THR HA H 4.609 0.020 . 273 1178 26 THR HB H 4.309 0.020 . 274 1178 26 THR HG2 H 1.347 0.020 . 275 1178 26 THR C C 174.216 0.400 . 276 1178 26 THR CA C 63.041 0.400 . 277 1178 26 THR CB C 71.167 0.400 . 278 1178 26 THR CG2 C 21.204 0.400 . 279 1178 26 THR N N 110.274 0.400 . 280 1179 27 ILE H H 7.555 0.020 . 281 1179 27 ILE HA H 4.498 0.020 . 282 1179 27 ILE HB H 2.561 0.020 . 283 1179 27 ILE HG12 H 1.332 0.020 . 284 1179 27 ILE HG13 H 1.688 0.020 . 285 1179 27 ILE HG2 H 0.861 0.020 . 286 1179 27 ILE HD1 H 0.979 0.020 . 287 1179 27 ILE C C 175.391 0.400 . 288 1179 27 ILE CA C 58.541 0.400 . 289 1179 27 ILE CB C 36.500 0.400 . 290 1179 27 ILE CG1 C 28.106 0.400 . 291 1179 27 ILE CG2 C 18.090 0.400 . 292 1179 27 ILE CD1 C 10.930 0.400 . 293 1179 27 ILE N N 124.607 0.400 . 294 1180 28 SER H H 8.497 0.020 . 295 1180 28 SER HA H 4.522 0.020 . 296 1180 28 SER HB2 H 3.892 0.020 . 297 1180 28 SER HB3 H 3.892 0.020 . 298 1180 28 SER C C 173.456 0.400 . 299 1180 28 SER CA C 59.394 0.400 . 300 1180 28 SER CB C 64.026 0.400 . 301 1180 28 SER N N 120.035 0.400 . 302 1181 29 ASP H H 7.397 0.020 . 303 1181 29 ASP HA H 4.802 0.020 . 304 1181 29 ASP HB2 H 2.352 0.020 . 305 1181 29 ASP HB3 H 2.519 0.020 . 306 1181 29 ASP CA C 50.859 0.400 . 307 1181 29 ASP CB C 41.350 0.400 . 308 1181 29 ASP N N 119.333 0.400 . 309 1182 30 PRO HA H 4.171 0.020 . 310 1182 30 PRO HB2 H 1.441 0.020 . 311 1182 30 PRO HB3 H 1.441 0.020 . 312 1182 30 PRO HG2 H -0.242 0.020 . 313 1182 30 PRO HG3 H 1.172 0.020 . 314 1182 30 PRO HD2 H 1.949 0.020 . 315 1182 30 PRO HD3 H 3.119 0.020 . 316 1182 30 PRO C C 176.808 0.400 . 317 1182 30 PRO CA C 62.041 0.400 . 318 1182 30 PRO CB C 31.835 0.400 . 319 1182 30 PRO CG C 25.644 0.400 . 320 1182 30 PRO CD C 49.863 0.400 . 321 1183 31 MET H H 9.407 0.020 . 322 1183 31 MET HA H 4.474 0.020 . 323 1183 31 MET HB2 H 2.315 0.020 . 324 1183 31 MET HB3 H 2.515 0.020 . 325 1183 31 MET HG2 H 2.773 0.020 . 326 1183 31 MET HG3 H 2.873 0.020 . 327 1183 31 MET C C 178.207 0.400 . 328 1183 31 MET CA C 55.370 0.400 . 329 1183 31 MET CB C 34.227 0.400 . 330 1183 31 MET CG C 32.340 0.400 . 331 1183 31 MET N N 122.634 0.400 . 332 1184 32 GLU H H 9.380 0.020 . 333 1184 32 GLU HA H 3.869 0.020 . 334 1184 32 GLU HB2 H 2.007 0.020 . 335 1184 32 GLU HB3 H 2.128 0.020 . 336 1184 32 GLU HG2 H 2.196 0.020 . 337 1184 32 GLU HG3 H 2.196 0.020 . 338 1184 32 GLU C C 178.078 0.400 . 339 1184 32 GLU CA C 60.513 0.400 . 340 1184 32 GLU CB C 29.637 0.400 . 341 1184 32 GLU CG C 36.420 0.400 . 342 1184 32 GLU N N 127.946 0.400 . 343 1185 33 GLU H H 9.937 0.020 . 344 1185 33 GLU HA H 4.077 0.020 . 345 1185 33 GLU HB2 H 2.091 0.020 . 346 1185 33 GLU HB3 H 2.091 0.020 . 347 1185 33 GLU HG2 H 2.356 0.020 . 348 1185 33 GLU HG3 H 2.512 0.020 . 349 1185 33 GLU C C 179.518 0.400 . 350 1185 33 GLU CA C 60.344 0.400 . 351 1185 33 GLU CB C 29.754 0.400 . 352 1185 33 GLU CG C 37.095 0.400 . 353 1185 33 GLU N N 116.630 0.400 . 354 1186 34 ASP H H 7.383 0.020 . 355 1186 34 ASP HA H 5.006 0.020 . 356 1186 34 ASP HB2 H 2.660 0.020 . 357 1186 34 ASP HB3 H 3.197 0.020 . 358 1186 34 ASP C C 177.646 0.400 . 359 1186 34 ASP CA C 58.194 0.400 . 360 1186 34 ASP CB C 42.366 0.400 . 361 1186 34 ASP N N 117.934 0.400 . 362 1187 35 ILE H H 8.130 0.020 . 363 1187 35 ILE HA H 3.951 0.020 . 364 1187 35 ILE HB H 2.176 0.020 . 365 1187 35 ILE HG12 H 1.201 0.020 . 366 1187 35 ILE HG13 H 2.155 0.020 . 367 1187 35 ILE HG2 H 1.131 0.020 . 368 1187 35 ILE HD1 H 0.765 0.020 . 369 1187 35 ILE C C 179.028 0.400 . 370 1187 35 ILE CA C 66.798 0.400 . 371 1187 35 ILE CB C 38.189 0.400 . 372 1187 35 ILE CG1 C 29.988 0.400 . 373 1187 35 ILE CG2 C 18.364 0.400 . 374 1187 35 ILE CD1 C 13.463 0.400 . 375 1187 35 ILE N N 122.178 0.400 . 376 1188 36 LEU H H 8.794 0.020 . 377 1188 36 LEU HA H 4.172 0.020 . 378 1188 36 LEU HB2 H 1.595 0.020 . 379 1188 36 LEU HB3 H 1.954 0.020 . 380 1188 36 LEU HG H 1.917 0.020 . 381 1188 36 LEU HD1 H 0.984 0.020 . 382 1188 36 LEU HD2 H 1.055 0.020 . 383 1188 36 LEU C C 180.266 0.400 . 384 1188 36 LEU CA C 58.100 0.400 . 385 1188 36 LEU CB C 41.088 0.400 . 386 1188 36 LEU CG C 27.179 0.400 . 387 1188 36 LEU CD1 C 25.193 0.400 . 388 1188 36 LEU CD2 C 22.311 0.400 . 389 1188 36 LEU N N 117.408 0.400 . 390 1189 37 GLN H H 7.719 0.020 . 391 1189 37 GLN HA H 4.120 0.020 . 392 1189 37 GLN HB2 H 1.945 0.020 . 393 1189 37 GLN HB3 H 2.177 0.020 . 394 1189 37 GLN HG2 H 2.325 0.020 . 395 1189 37 GLN HG3 H 3.022 0.020 . 396 1189 37 GLN HE21 H 6.714 0.020 . 397 1189 37 GLN HE22 H 6.933 0.020 . 398 1189 37 GLN C C 179.291 0.400 . 399 1189 37 GLN CA C 60.472 0.400 . 400 1189 37 GLN CB C 28.169 0.400 . 401 1189 37 GLN CG C 35.517 0.400 . 402 1189 37 GLN N N 120.197 0.400 . 403 1189 37 GLN NE2 N 112.799 0.400 . 404 1190 38 VAL H H 7.750 0.020 . 405 1190 38 VAL HA H 3.611 0.020 . 406 1190 38 VAL HB H 2.520 0.020 . 407 1190 38 VAL HG1 H 0.895 0.020 . 408 1190 38 VAL HG2 H 1.179 0.020 . 409 1190 38 VAL C C 178.221 0.400 . 410 1190 38 VAL CA C 67.308 0.400 . 411 1190 38 VAL CB C 31.338 0.400 . 412 1190 38 VAL CG1 C 24.897 0.400 . 413 1190 38 VAL CG2 C 22.880 0.400 . 414 1190 38 VAL N N 122.803 0.400 . 415 1191 39 VAL H H 8.408 0.020 . 416 1191 39 VAL HA H 3.404 0.020 . 417 1191 39 VAL HB H 2.359 0.020 . 418 1191 39 VAL HG1 H 1.261 0.020 . 419 1191 39 VAL HG2 H 0.891 0.020 . 420 1191 39 VAL C C 177.536 0.400 . 421 1191 39 VAL CA C 68.276 0.400 . 422 1191 39 VAL CB C 31.686 0.400 . 423 1191 39 VAL CG1 C 24.906 0.400 . 424 1191 39 VAL CG2 C 21.807 0.400 . 425 1191 39 VAL N N 121.067 0.400 . 426 1192 40 LYS H H 8.310 0.020 . 427 1192 40 LYS HA H 4.186 0.020 . 428 1192 40 LYS HB2 H 1.961 0.020 . 429 1192 40 LYS HB3 H 1.961 0.020 . 430 1192 40 LYS HG2 H 1.483 0.020 . 431 1192 40 LYS HG3 H 1.483 0.020 . 432 1192 40 LYS HD2 H 1.820 0.020 . 433 1192 40 LYS HD3 H 1.820 0.020 . 434 1192 40 LYS HE2 H 3.044 0.020 . 435 1192 40 LYS HE3 H 3.044 0.020 . 436 1192 40 LYS C C 177.070 0.400 . 437 1192 40 LYS CA C 58.526 0.400 . 438 1192 40 LYS CB C 31.923 0.400 . 439 1192 40 LYS CG C 24.894 0.400 . 440 1192 40 LYS CD C 28.309 0.400 . 441 1192 40 LYS CE C 42.547 0.400 . 442 1192 40 LYS N N 120.491 0.400 . 443 1193 41 TYR H H 7.779 0.020 . 444 1193 41 TYR HA H 4.535 0.020 . 445 1193 41 TYR HB2 H 3.106 0.020 . 446 1193 41 TYR HB3 H 3.106 0.020 . 447 1193 41 TYR HD1 H 6.894 0.020 . 448 1193 41 TYR HD2 H 6.894 0.020 . 449 1193 41 TYR HE1 H 6.459 0.020 . 450 1193 41 TYR HE2 H 6.459 0.020 . 451 1193 41 TYR C C 176.951 0.400 . 452 1193 41 TYR CA C 61.056 0.400 . 453 1193 41 TYR CB C 38.271 0.400 . 454 1193 41 TYR CD1 C 132.523 0.400 . 455 1193 41 TYR CD2 C 132.535 0.400 . 456 1193 41 TYR CE1 C 117.109 0.400 . 457 1193 41 TYR CE2 C 117.126 0.400 . 458 1193 41 TYR N N 120.050 0.400 . 459 1194 42 CYS H H 8.026 0.020 . 460 1194 42 CYS HA H 3.712 0.020 . 461 1194 42 CYS HB2 H 2.396 0.020 . 462 1194 42 CYS HB3 H 3.233 0.020 . 463 1194 42 CYS C C 177.166 0.400 . 464 1194 42 CYS CA C 64.389 0.400 . 465 1194 42 CYS CB C 28.116 0.400 . 466 1194 42 CYS N N 114.607 0.400 . 467 1195 43 THR H H 8.987 0.020 . 468 1195 43 THR HA H 3.917 0.020 . 469 1195 43 THR HB H 4.517 0.020 . 470 1195 43 THR HG2 H 1.243 0.020 . 471 1195 43 THR C C 177.085 0.400 . 472 1195 43 THR CA C 66.814 0.400 . 473 1195 43 THR CB C 67.790 0.400 . 474 1195 43 THR CG2 C 21.309 0.400 . 475 1195 43 THR N N 113.638 0.400 . 476 1196 44 ASP H H 9.029 0.020 . 477 1196 44 ASP HA H 4.458 0.020 . 478 1196 44 ASP HB2 H 2.504 0.020 . 479 1196 44 ASP HB3 H 3.142 0.020 . 480 1196 44 ASP C C 179.551 0.400 . 481 1196 44 ASP CA C 57.789 0.400 . 482 1196 44 ASP CB C 39.078 0.400 . 483 1196 44 ASP N N 127.331 0.400 . 484 1197 45 LEU H H 7.950 0.020 . 485 1197 45 LEU HA H 3.883 0.020 . 486 1197 45 LEU HB2 H 1.239 0.020 . 487 1197 45 LEU HB3 H 2.154 0.020 . 488 1197 45 LEU HG H 0.454 0.020 . 489 1197 45 LEU HD1 H 0.779 0.020 . 490 1197 45 LEU HD2 H 0.772 0.020 . 491 1197 45 LEU C C 179.510 0.400 . 492 1197 45 LEU CA C 58.565 0.400 . 493 1197 45 LEU CB C 41.538 0.400 . 494 1197 45 LEU CG C 25.402 0.400 . 495 1197 45 LEU CD1 C 22.988 0.400 . 496 1197 45 LEU CD2 C 22.988 0.400 . 497 1197 45 LEU N N 120.523 0.400 . 498 1198 46 ILE H H 7.650 0.020 . 499 1198 46 ILE HA H 3.410 0.020 . 500 1198 46 ILE HB H 2.149 0.020 . 501 1198 46 ILE HG12 H 0.722 0.020 . 502 1198 46 ILE HG13 H 2.051 0.020 . 503 1198 46 ILE HG2 H 0.933 0.020 . 504 1198 46 ILE HD1 H 0.831 0.020 . 505 1198 46 ILE C C 179.935 0.400 . 506 1198 46 ILE CA C 66.408 0.400 . 507 1198 46 ILE CB C 37.708 0.400 . 508 1198 46 ILE CG1 C 30.799 0.400 . 509 1198 46 ILE CG2 C 17.849 0.400 . 510 1198 46 ILE CD1 C 15.060 0.400 . 511 1198 46 ILE N N 119.104 0.400 . 512 1199 47 GLU H H 8.491 0.020 . 513 1199 47 GLU HA H 4.016 0.020 . 514 1199 47 GLU HB2 H 2.208 0.020 . 515 1199 47 GLU HB3 H 2.208 0.020 . 516 1199 47 GLU HG2 H 2.473 0.020 . 517 1199 47 GLU HG3 H 2.473 0.020 . 518 1199 47 GLU C C 178.095 0.400 . 519 1199 47 GLU CA C 59.768 0.400 . 520 1199 47 GLU CB C 29.257 0.400 . 521 1199 47 GLU CG C 36.309 0.400 . 522 1199 47 GLU N N 123.467 0.400 . 523 1200 48 GLU H H 7.665 0.020 . 524 1200 48 GLU HA H 4.288 0.020 . 525 1200 48 GLU HB2 H 1.958 0.020 . 526 1200 48 GLU HB3 H 2.277 0.020 . 527 1200 48 GLU HG2 H 2.435 0.020 . 528 1200 48 GLU HG3 H 2.435 0.020 . 529 1200 48 GLU C C 175.245 0.400 . 530 1200 48 GLU CA C 55.730 0.400 . 531 1200 48 GLU CB C 29.583 0.400 . 532 1200 48 GLU CG C 36.056 0.400 . 533 1200 48 GLU N N 116.510 0.400 . 534 1201 49 LYS H H 8.128 0.020 . 535 1201 49 LYS HA H 3.661 0.020 . 536 1201 49 LYS HB2 H 2.078 0.020 . 537 1201 49 LYS HB3 H 2.163 0.020 . 538 1201 49 LYS HG2 H 1.266 0.020 . 539 1201 49 LYS HG3 H 1.458 0.020 . 540 1201 49 LYS HD2 H 1.642 0.020 . 541 1201 49 LYS HD3 H 1.731 0.020 . 542 1201 49 LYS HE2 H 2.864 0.020 . 543 1201 49 LYS HE3 H 2.939 0.020 . 544 1201 49 LYS C C 175.798 0.400 . 545 1201 49 LYS CA C 57.506 0.400 . 546 1201 49 LYS CB C 29.887 0.400 . 547 1201 49 LYS CG C 26.076 0.400 . 548 1201 49 LYS CD C 29.334 0.400 . 549 1201 49 LYS CE C 42.370 0.400 . 550 1201 49 LYS N N 116.839 0.400 . 551 1202 50 ASP H H 8.483 0.020 . 552 1202 50 ASP HA H 5.063 0.020 . 553 1202 50 ASP HB2 H 2.231 0.020 . 554 1202 50 ASP HB3 H 3.047 0.020 . 555 1202 50 ASP C C 176.336 0.400 . 556 1202 50 ASP CA C 51.506 0.400 . 557 1202 50 ASP CB C 38.899 0.400 . 558 1202 50 ASP N N 122.744 0.400 . 559 1203 51 LEU H H 7.545 0.020 . 560 1203 51 LEU HA H 3.899 0.020 . 561 1203 51 LEU HB2 H 1.451 0.020 . 562 1203 51 LEU HB3 H 1.691 0.020 . 563 1203 51 LEU HG H 1.455 0.020 . 564 1203 51 LEU HD1 H 0.627 0.020 . 565 1203 51 LEU HD2 H 0.617 0.020 . 566 1203 51 LEU C C 179.788 0.400 . 567 1203 51 LEU CA C 56.630 0.400 . 568 1203 51 LEU CB C 40.223 0.400 . 569 1203 51 LEU CG C 27.676 0.400 . 570 1203 51 LEU CD1 C 22.464 0.400 . 571 1203 51 LEU CD2 C 24.601 0.400 . 572 1203 51 LEU N N 119.566 0.400 . 573 1204 52 GLU H H 8.640 0.020 . 574 1204 52 GLU HA H 4.081 0.020 . 575 1204 52 GLU HB2 H 1.985 0.020 . 576 1204 52 GLU HB3 H 2.077 0.020 . 577 1204 52 GLU HG2 H 2.159 0.020 . 578 1204 52 GLU HG3 H 2.289 0.020 . 579 1204 52 GLU C C 178.619 0.400 . 580 1204 52 GLU CA C 59.574 0.400 . 581 1204 52 GLU CB C 29.360 0.400 . 582 1204 52 GLU CG C 36.524 0.400 . 583 1204 52 GLU N N 121.594 0.400 . 584 1205 53 LYS H H 7.468 0.020 . 585 1205 53 LYS HA H 3.737 0.020 . 586 1205 53 LYS HB2 H 1.523 0.020 . 587 1205 53 LYS HB3 H 1.752 0.020 . 588 1205 53 LYS HG2 H 1.292 0.020 . 589 1205 53 LYS HG3 H 1.292 0.020 . 590 1205 53 LYS HD2 H 1.548 0.020 . 591 1205 53 LYS HD3 H 1.754 0.020 . 592 1205 53 LYS HE2 H 3.012 0.020 . 593 1205 53 LYS HE3 H 3.012 0.020 . 594 1205 53 LYS C C 177.947 0.400 . 595 1205 53 LYS CA C 59.528 0.400 . 596 1205 53 LYS CB C 32.362 0.400 . 597 1205 53 LYS CG C 25.490 0.400 . 598 1205 53 LYS CD C 28.813 0.400 . 599 1205 53 LYS CE C 41.553 0.400 . 600 1205 53 LYS N N 119.466 0.400 . 601 1206 54 LEU H H 7.528 0.020 . 602 1206 54 LEU HA H 3.906 0.020 . 603 1206 54 LEU HB2 H 1.315 0.020 . 604 1206 54 LEU HB3 H 1.966 0.020 . 605 1206 54 LEU HG H 1.568 0.020 . 606 1206 54 LEU HD1 H 0.870 0.020 . 607 1206 54 LEU HD2 H 0.960 0.020 . 608 1206 54 LEU C C 177.212 0.400 . 609 1206 54 LEU CA C 58.028 0.400 . 610 1206 54 LEU CB C 41.551 0.400 . 611 1206 54 LEU CG C 26.802 0.400 . 612 1206 54 LEU CD1 C 26.581 0.400 . 613 1206 54 LEU CD2 C 23.380 0.400 . 614 1206 54 LEU N N 117.850 0.400 . 615 1207 55 ASP H H 7.807 0.020 . 616 1207 55 ASP HA H 4.267 0.020 . 617 1207 55 ASP HB2 H 2.727 0.020 . 618 1207 55 ASP HB3 H 2.727 0.020 . 619 1207 55 ASP C C 177.961 0.400 . 620 1207 55 ASP CA C 57.944 0.400 . 621 1207 55 ASP CB C 42.221 0.400 . 622 1207 55 ASP N N 117.621 0.400 . 623 1208 56 LEU H H 7.528 0.020 . 624 1208 56 LEU HA H 3.974 0.020 . 625 1208 56 LEU HB2 H 1.065 0.020 . 626 1208 56 LEU HB3 H 1.674 0.020 . 627 1208 56 LEU HG H 1.781 0.020 . 628 1208 56 LEU HD1 H 0.753 0.020 . 629 1208 56 LEU HD2 H 0.577 0.020 . 630 1208 56 LEU C C 180.809 0.400 . 631 1208 56 LEU CA C 58.062 0.400 . 632 1208 56 LEU CB C 42.221 0.400 . 633 1208 56 LEU CG C 26.165 0.400 . 634 1208 56 LEU CD1 C 22.494 0.400 . 635 1208 56 LEU CD2 C 25.181 0.400 . 636 1208 56 LEU N N 116.234 0.400 . 637 1209 57 VAL H H 8.766 0.020 . 638 1209 57 VAL HA H 4.009 0.020 . 639 1209 57 VAL HB H 2.487 0.020 . 640 1209 57 VAL HG1 H 1.319 0.020 . 641 1209 57 VAL HG2 H 1.259 0.020 . 642 1209 57 VAL C C 177.648 0.400 . 643 1209 57 VAL CA C 66.907 0.400 . 644 1209 57 VAL CB C 32.063 0.400 . 645 1209 57 VAL CG1 C 24.326 0.400 . 646 1209 57 VAL CG2 C 21.300 0.400 . 647 1209 57 VAL N N 120.998 0.400 . 648 1210 58 ILE H H 8.790 0.020 . 649 1210 58 ILE HA H 4.014 0.020 . 650 1210 58 ILE HB H 2.339 0.020 . 651 1210 58 ILE HG12 H 1.668 0.020 . 652 1210 58 ILE HG13 H 1.527 0.020 . 653 1210 58 ILE HG2 H 1.085 0.020 . 654 1210 58 ILE HD1 H 0.833 0.020 . 655 1210 58 ILE C C 178.308 0.400 . 656 1210 58 ILE CA C 63.890 0.400 . 657 1210 58 ILE CB C 35.629 0.400 . 658 1210 58 ILE CG1 C 27.927 0.400 . 659 1210 58 ILE CG2 C 17.683 0.400 . 660 1210 58 ILE CD1 C 10.371 0.400 . 661 1210 58 ILE N N 122.741 0.400 . 662 1211 59 LYS H H 8.409 0.020 . 663 1211 59 LYS HA H 3.897 0.020 . 664 1211 59 LYS HB2 H 1.894 0.020 . 665 1211 59 LYS HB3 H 1.981 0.020 . 666 1211 59 LYS HG2 H 1.482 0.020 . 667 1211 59 LYS HG3 H 1.746 0.020 . 668 1211 59 LYS HD2 H 1.647 0.020 . 669 1211 59 LYS HD3 H 1.647 0.020 . 670 1211 59 LYS HE2 H 3.016 0.020 . 671 1211 59 LYS HE3 H 3.016 0.020 . 672 1211 59 LYS C C 179.315 0.400 . 673 1211 59 LYS CA C 60.571 0.400 . 674 1211 59 LYS CB C 32.775 0.400 . 675 1211 59 LYS CG C 27.165 0.400 . 676 1211 59 LYS CD C 29.420 0.400 . 677 1211 59 LYS CE C 42.091 0.400 . 678 1211 59 LYS N N 118.919 0.400 . 679 1212 60 TYR H H 8.201 0.020 . 680 1212 60 TYR HA H 4.331 0.020 . 681 1212 60 TYR HB2 H 3.143 0.020 . 682 1212 60 TYR HB3 H 3.484 0.020 . 683 1212 60 TYR HD1 H 7.068 0.020 . 684 1212 60 TYR HD2 H 7.068 0.020 . 685 1212 60 TYR HE1 H 6.852 0.020 . 686 1212 60 TYR HE2 H 6.852 0.020 . 687 1212 60 TYR C C 177.347 0.400 . 688 1212 60 TYR CA C 62.010 0.400 . 689 1212 60 TYR CB C 39.078 0.400 . 690 1212 60 TYR CD1 C 132.144 0.400 . 691 1212 60 TYR CD2 C 132.153 0.400 . 692 1212 60 TYR CE1 C 119.344 0.400 . 693 1212 60 TYR CE2 C 119.402 0.400 . 694 1212 60 TYR N N 121.111 0.400 . 695 1213 61 MET H H 8.611 0.020 . 696 1213 61 MET HA H 3.728 0.020 . 697 1213 61 MET HB2 H 2.435 0.020 . 698 1213 61 MET HB3 H 2.726 0.020 . 699 1213 61 MET HG2 H 2.513 0.020 . 700 1213 61 MET HG3 H 3.301 0.020 . 701 1213 61 MET C C 177.125 0.400 . 702 1213 61 MET CA C 60.794 0.400 . 703 1213 61 MET CB C 33.988 0.400 . 704 1213 61 MET CG C 33.846 0.400 . 705 1213 61 MET N N 116.378 0.400 . 706 1214 62 LYS H H 8.667 0.020 . 707 1214 62 LYS HA H 2.637 0.020 . 708 1214 62 LYS HB2 H 1.670 0.020 . 709 1214 62 LYS HB3 H 1.670 0.020 . 710 1214 62 LYS HG2 H 0.556 0.020 . 711 1214 62 LYS HG3 H 0.933 0.020 . 712 1214 62 LYS HD2 H 1.500 0.020 . 713 1214 62 LYS HD3 H 1.500 0.020 . 714 1214 62 LYS HE2 H 2.900 0.020 . 715 1214 62 LYS HE3 H 2.900 0.020 . 716 1214 62 LYS C C 177.721 0.400 . 717 1214 62 LYS CA C 60.091 0.400 . 718 1214 62 LYS CB C 32.841 0.400 . 719 1214 62 LYS CG C 24.603 0.400 . 720 1214 62 LYS CD C 29.734 0.400 . 721 1214 62 LYS CE C 42.279 0.400 . 722 1214 62 LYS N N 120.011 0.400 . 723 1215 63 ARG H H 7.123 0.020 . 724 1215 63 ARG HA H 3.871 0.020 . 725 1215 63 ARG HB2 H 1.808 0.020 . 726 1215 63 ARG HB3 H 1.808 0.020 . 727 1215 63 ARG HG2 H 1.478 0.020 . 728 1215 63 ARG HG3 H 1.607 0.020 . 729 1215 63 ARG HD2 H 3.157 0.020 . 730 1215 63 ARG HD3 H 3.157 0.020 . 731 1215 63 ARG C C 178.526 0.400 . 732 1215 63 ARG CA C 58.552 0.400 . 733 1215 63 ARG CB C 29.644 0.400 . 734 1215 63 ARG CG C 27.080 0.400 . 735 1215 63 ARG CD C 43.433 0.400 . 736 1215 63 ARG N N 115.908 0.400 . 737 1216 64 LEU H H 7.228 0.020 . 738 1216 64 LEU HA H 3.846 0.020 . 739 1216 64 LEU HB2 H 1.061 0.020 . 740 1216 64 LEU HB3 H 1.363 0.020 . 741 1216 64 LEU HG H 1.193 0.020 . 742 1216 64 LEU HD1 H 0.532 0.020 . 743 1216 64 LEU HD2 H 0.448 0.020 . 744 1216 64 LEU C C 179.154 0.400 . 745 1216 64 LEU CA C 57.086 0.400 . 746 1216 64 LEU CB C 43.209 0.400 . 747 1216 64 LEU CG C 27.144 0.400 . 748 1216 64 LEU CD1 C 22.775 0.400 . 749 1216 64 LEU CD2 C 25.640 0.400 . 750 1216 64 LEU N N 116.283 0.400 . 751 1217 65 MET H H 8.794 0.020 . 752 1217 65 MET HA H 3.753 0.020 . 753 1217 65 MET HB2 H 2.346 0.020 . 754 1217 65 MET HB3 H 1.941 0.020 . 755 1217 65 MET HG2 H 2.364 0.020 . 756 1217 65 MET HG3 H 2.840 0.020 . 757 1217 65 MET C C 177.133 0.400 . 758 1217 65 MET CA C 59.542 0.400 . 759 1217 65 MET CB C 32.452 0.400 . 760 1217 65 MET CG C 35.139 0.400 . 761 1217 65 MET N N 115.904 0.400 . 762 1218 66 GLN H H 7.553 0.020 . 763 1218 66 GLN HA H 4.380 0.020 . 764 1218 66 GLN HB2 H 1.983 0.020 . 765 1218 66 GLN HB3 H 1.983 0.020 . 766 1218 66 GLN HG2 H 2.268 0.020 . 767 1218 66 GLN HG3 H 2.268 0.020 . 768 1218 66 GLN HE21 H 7.725 0.020 . 769 1218 66 GLN HE22 H 6.925 0.020 . 770 1218 66 GLN C C 176.702 0.400 . 771 1218 66 GLN CA C 56.963 0.400 . 772 1218 66 GLN CB C 27.584 0.400 . 773 1218 66 GLN CG C 34.390 0.400 . 774 1218 66 GLN N N 114.228 0.400 . 775 1218 66 GLN NE2 N 112.536 0.400 . 776 1219 67 GLN H H 7.303 0.020 . 777 1219 67 GLN HA H 4.238 0.020 . 778 1219 67 GLN HB2 H 2.057 0.020 . 779 1219 67 GLN HB3 H 2.120 0.020 . 780 1219 67 GLN HG2 H 2.377 0.020 . 781 1219 67 GLN HG3 H 2.377 0.020 . 782 1219 67 GLN HE21 H 6.680 0.020 . 783 1219 67 GLN HE22 H 7.373 0.020 . 784 1219 67 GLN C C 176.146 0.400 . 785 1219 67 GLN CA C 56.442 0.400 . 786 1219 67 GLN CB C 29.082 0.400 . 787 1219 67 GLN CG C 34.022 0.400 . 788 1219 67 GLN N N 117.437 0.400 . 789 1219 67 GLN NE2 N 111.185 0.400 . 790 1220 68 SER HA H 4.414 0.020 . 791 1220 68 SER HB2 H 3.859 0.020 . 792 1220 68 SER HB3 H 3.859 0.020 . 793 1220 68 SER C C 175.332 0.400 . 794 1220 68 SER CA C 58.113 0.400 . 795 1220 68 SER CB C 63.583 0.400 . 796 1221 69 VAL H H 8.266 0.020 . 797 1221 69 VAL HA H 4.187 0.020 . 798 1221 69 VAL HB H 2.265 0.020 . 799 1221 69 VAL HG1 H 1.000 0.020 . 800 1221 69 VAL HG2 H 0.964 0.020 . 801 1221 69 VAL C C 176.375 0.400 . 802 1221 69 VAL CA C 62.832 0.400 . 803 1221 69 VAL CB C 31.920 0.400 . 804 1221 69 VAL CG1 C 21.324 0.400 . 805 1221 69 VAL CG2 C 19.894 0.400 . 806 1221 69 VAL N N 121.079 0.400 . 807 1222 70 GLU H H 8.476 0.020 . 808 1222 70 GLU HA H 4.471 0.020 . 809 1222 70 GLU HB2 H 2.224 0.020 . 810 1222 70 GLU HB3 H 2.129 0.020 . 811 1222 70 GLU HG2 H 2.355 0.020 . 812 1222 70 GLU HG3 H 2.403 0.020 . 813 1222 70 GLU C C 176.850 0.400 . 814 1222 70 GLU CA C 56.009 0.400 . 815 1222 70 GLU CB C 29.501 0.400 . 816 1222 70 GLU CG C 35.775 0.400 . 817 1222 70 GLU N N 120.817 0.400 . 818 1223 71 SER C C 176.846 0.400 . 819 1223 71 SER CA C 59.886 0.400 . 820 1223 71 SER CB C 63.939 0.400 . 821 1224 72 VAL H H 8.567 0.020 . 822 1224 72 VAL HA H 4.041 0.020 . 823 1224 72 VAL HB H 2.007 0.020 . 824 1224 72 VAL HG1 H 0.740 0.020 . 825 1224 72 VAL HG2 H 0.740 0.020 . 826 1224 72 VAL C C 177.666 0.400 . 827 1224 72 VAL CA C 64.742 0.400 . 828 1224 72 VAL CB C 31.093 0.400 . 829 1224 72 VAL CG1 C 20.592 0.400 . 830 1224 72 VAL CG2 C 20.567 0.400 . 831 1224 72 VAL N N 120.690 0.400 . 832 1225 73 TRP H H 7.622 0.020 . 833 1225 73 TRP HA H 4.543 0.020 . 834 1225 73 TRP HB2 H 3.218 0.020 . 835 1225 73 TRP HB3 H 3.278 0.020 . 836 1225 73 TRP HD1 H 7.273 0.020 . 837 1225 73 TRP HE1 H 9.559 0.020 . 838 1225 73 TRP C C 177.950 0.400 . 839 1225 73 TRP CA C 59.818 0.400 . 840 1225 73 TRP CB C 29.722 0.400 . 841 1225 73 TRP CD1 C 126.407 0.400 . 842 1225 73 TRP N N 121.959 0.400 . 843 1225 73 TRP NE1 N 127.788 0.400 . 844 1226 74 ASN H H 7.802 0.020 . 845 1226 74 ASN HA H 4.396 0.020 . 846 1226 74 ASN HB2 H 3.047 0.020 . 847 1226 74 ASN HB3 H 3.012 0.020 . 848 1226 74 ASN HD21 H 7.192 0.020 . 849 1226 74 ASN HD22 H 7.596 0.020 . 850 1226 74 ASN C C 177.762 0.400 . 851 1226 74 ASN CA C 57.399 0.400 . 852 1226 74 ASN CB C 39.011 0.400 . 853 1226 74 ASN N N 119.103 0.400 . 854 1226 74 ASN ND2 N 113.284 0.400 . 855 1227 75 MET H H 7.854 0.020 . 856 1227 75 MET HA H 4.366 0.020 . 857 1227 75 MET HB2 H 2.185 0.020 . 858 1227 75 MET HB3 H 2.185 0.020 . 859 1227 75 MET HG2 H 2.670 0.020 . 860 1227 75 MET HG3 H 2.777 0.020 . 861 1227 75 MET C C 179.067 0.400 . 862 1227 75 MET CA C 58.535 0.400 . 863 1227 75 MET CB C 32.340 0.400 . 864 1227 75 MET CG C 32.306 0.400 . 865 1227 75 MET N N 117.058 0.400 . 866 1228 76 ALA H H 7.877 0.020 . 867 1228 76 ALA HA H 4.270 0.020 . 868 1228 76 ALA HB H 1.571 0.020 . 869 1228 76 ALA C C 178.996 0.400 . 870 1228 76 ALA CA C 55.526 0.400 . 871 1228 76 ALA CB C 17.489 0.400 . 872 1228 76 ALA N N 123.610 0.400 . 873 1229 77 PHE H H 8.414 0.020 . 874 1229 77 PHE HA H 4.199 0.020 . 875 1229 77 PHE HB2 H 3.195 0.020 . 876 1229 77 PHE HB3 H 3.616 0.020 . 877 1229 77 PHE HD1 H 7.476 0.020 . 878 1229 77 PHE HD2 H 7.476 0.020 . 879 1229 77 PHE C C 176.305 0.400 . 880 1229 77 PHE CA C 63.077 0.400 . 881 1229 77 PHE CB C 38.228 0.400 . 882 1229 77 PHE CD1 C 131.684 0.400 . 883 1229 77 PHE CD2 C 131.870 0.400 . 884 1229 77 PHE N N 117.850 0.400 . 885 1230 78 ASP H H 7.761 0.020 . 886 1230 78 ASP HA H 4.244 0.020 . 887 1230 78 ASP HB2 H 2.752 0.020 . 888 1230 78 ASP HB3 H 2.829 0.020 . 889 1230 78 ASP C C 178.126 0.400 . 890 1230 78 ASP CA C 57.702 0.400 . 891 1230 78 ASP CB C 40.275 0.400 . 892 1230 78 ASP N N 118.231 0.400 . 893 1231 79 PHE H H 7.966 0.020 . 894 1231 79 PHE HA H 4.295 0.020 . 895 1231 79 PHE HB2 H 3.287 0.020 . 896 1231 79 PHE HB3 H 3.381 0.020 . 897 1231 79 PHE HD1 H 7.186 0.020 . 898 1231 79 PHE HD2 H 7.186 0.020 . 899 1231 79 PHE C C 178.798 0.400 . 900 1231 79 PHE CA C 61.408 0.400 . 901 1231 79 PHE CB C 39.421 0.400 . 902 1231 79 PHE CD1 C 132.289 0.400 . 903 1231 79 PHE CD2 C 132.282 0.400 . 904 1231 79 PHE N N 119.978 0.400 . 905 1232 80 ILE H H 8.627 0.020 . 906 1232 80 ILE HA H 3.415 0.020 . 907 1232 80 ILE HB H 1.965 0.020 . 908 1232 80 ILE HG12 H 2.269 0.020 . 909 1232 80 ILE HG13 H 1.104 0.020 . 910 1232 80 ILE HG2 H 0.852 0.020 . 911 1232 80 ILE HD1 H 1.262 0.020 . 912 1232 80 ILE C C 177.214 0.400 . 913 1232 80 ILE CA C 66.125 0.400 . 914 1232 80 ILE CB C 38.616 0.400 . 915 1232 80 ILE CG1 C 30.321 0.400 . 916 1232 80 ILE CG2 C 16.930 0.400 . 917 1232 80 ILE CD1 C 14.513 0.400 . 918 1232 80 ILE N N 122.751 0.400 . 919 1233 81 LEU H H 8.737 0.020 . 920 1233 81 LEU HA H 3.725 0.020 . 921 1233 81 LEU HB2 H 0.916 0.020 . 922 1233 81 LEU HB3 H 1.567 0.020 . 923 1233 81 LEU HG H 0.875 0.020 . 924 1233 81 LEU HD1 H 0.958 0.020 . 925 1233 81 LEU HD2 H 0.958 0.020 . 926 1233 81 LEU C C 178.649 0.400 . 927 1233 81 LEU CA C 58.106 0.400 . 928 1233 81 LEU CB C 40.799 0.400 . 929 1233 81 LEU CG C 23.584 0.400 . 930 1233 81 LEU CD1 C 25.581 0.400 . 931 1233 81 LEU CD2 C 26.794 0.400 . 932 1233 81 LEU N N 119.375 0.400 . 933 1234 82 ASP H H 8.364 0.020 . 934 1234 82 ASP HA H 4.262 0.020 . 935 1234 82 ASP HB2 H 2.489 0.020 . 936 1234 82 ASP HB3 H 2.736 0.020 . 937 1234 82 ASP C C 178.635 0.400 . 938 1234 82 ASP CA C 57.678 0.400 . 939 1234 82 ASP CB C 40.783 0.400 . 940 1234 82 ASP N N 118.096 0.400 . 941 1235 83 ASN H H 7.419 0.020 . 942 1235 83 ASN HA H 4.150 0.020 . 943 1235 83 ASN HB2 H 2.268 0.020 . 944 1235 83 ASN HB3 H 2.620 0.020 . 945 1235 83 ASN HD21 H 6.745 0.020 . 946 1235 83 ASN HD22 H 5.482 0.020 . 947 1235 83 ASN C C 177.446 0.400 . 948 1235 83 ASN CA C 57.223 0.400 . 949 1235 83 ASN CB C 40.092 0.400 . 950 1235 83 ASN N N 115.421 0.400 . 951 1235 83 ASN ND2 N 112.636 0.400 . 952 1236 84 VAL H H 8.304 0.020 . 953 1236 84 VAL HA H 3.410 0.020 . 954 1236 84 VAL HB H 2.270 0.020 . 955 1236 84 VAL HG1 H 1.087 0.020 . 956 1236 84 VAL HG2 H 0.929 0.020 . 957 1236 84 VAL C C 177.084 0.400 . 958 1236 84 VAL CA C 67.006 0.400 . 959 1236 84 VAL CB C 31.956 0.400 . 960 1236 84 VAL CG1 C 23.953 0.400 . 961 1236 84 VAL CG2 C 21.955 0.400 . 962 1236 84 VAL N N 120.026 0.400 . 963 1237 85 GLN H H 8.842 0.020 . 964 1237 85 GLN HA H 4.449 0.020 . 965 1237 85 GLN HB2 H 2.207 0.020 . 966 1237 85 GLN HB3 H 2.076 0.020 . 967 1237 85 GLN HG2 H 2.531 0.020 . 968 1237 85 GLN HG3 H 2.453 0.020 . 969 1237 85 GLN HE21 H 7.179 0.020 . 970 1237 85 GLN HE22 H 7.322 0.020 . 971 1237 85 GLN C C 179.326 0.400 . 972 1237 85 GLN CA C 59.129 0.400 . 973 1237 85 GLN CB C 28.629 0.400 . 974 1237 85 GLN CG C 33.059 0.400 . 975 1237 85 GLN N N 118.373 0.400 . 976 1237 85 GLN NE2 N 110.177 0.400 . 977 1238 86 VAL H H 7.645 0.020 . 978 1238 86 VAL HA H 3.726 0.020 . 979 1238 86 VAL HB H 2.109 0.020 . 980 1238 86 VAL HG1 H 1.049 0.020 . 981 1238 86 VAL HG2 H 0.908 0.020 . 982 1238 86 VAL C C 178.402 0.400 . 983 1238 86 VAL CA C 66.531 0.400 . 984 1238 86 VAL CB C 31.823 0.400 . 985 1238 86 VAL CG1 C 22.710 0.400 . 986 1238 86 VAL CG2 C 20.994 0.400 . 987 1238 86 VAL N N 118.583 0.400 . 988 1239 87 VAL H H 7.304 0.020 . 989 1239 87 VAL HA H 3.758 0.020 . 990 1239 87 VAL HB H 2.046 0.020 . 991 1239 87 VAL HG1 H 1.083 0.020 . 992 1239 87 VAL HG2 H 1.011 0.020 . 993 1239 87 VAL C C 180.085 0.400 . 994 1239 87 VAL CA C 66.373 0.400 . 995 1239 87 VAL CB C 31.525 0.400 . 996 1239 87 VAL CG1 C 22.392 0.400 . 997 1239 87 VAL N N 120.256 0.400 . 998 1240 88 LEU H H 8.819 0.020 . 999 1240 88 LEU HA H 4.045 0.020 . 1000 1240 88 LEU HB2 H 1.852 0.020 . 1001 1240 88 LEU HB3 H 1.852 0.020 . 1002 1240 88 LEU HG H 1.773 0.020 . 1003 1240 88 LEU HD1 H 0.806 0.020 . 1004 1240 88 LEU HD2 H 0.859 0.020 . 1005 1240 88 LEU C C 179.304 0.400 . 1006 1240 88 LEU CA C 58.977 0.400 . 1007 1240 88 LEU CB C 42.072 0.400 . 1008 1240 88 LEU CG C 26.719 0.400 . 1009 1240 88 LEU CD1 C 24.929 0.400 . 1010 1240 88 LEU CD2 C 26.198 0.400 . 1011 1240 88 LEU N N 124.082 0.400 . 1012 1241 89 GLN H H 8.506 0.020 . 1013 1241 89 GLN HA H 3.988 0.020 . 1014 1241 89 GLN HB2 H 2.200 0.020 . 1015 1241 89 GLN HB3 H 2.131 0.020 . 1016 1241 89 GLN HG2 H 2.372 0.020 . 1017 1241 89 GLN HG3 H 2.372 0.020 . 1018 1241 89 GLN HE21 H 6.692 0.020 . 1019 1241 89 GLN HE22 H 7.307 0.020 . 1020 1241 89 GLN C C 179.004 0.400 . 1021 1241 89 GLN CA C 59.213 0.400 . 1022 1241 89 GLN CB C 28.243 0.400 . 1023 1241 89 GLN CG C 34.009 0.400 . 1024 1241 89 GLN N N 119.694 0.400 . 1025 1241 89 GLN NE2 N 110.846 0.400 . 1026 1242 90 GLN H H 8.076 0.020 . 1027 1242 90 GLN HA H 4.083 0.020 . 1028 1242 90 GLN HB2 H 2.123 0.020 . 1029 1242 90 GLN HB3 H 2.226 0.020 . 1030 1242 90 GLN HG2 H 2.453 0.020 . 1031 1242 90 GLN HG3 H 2.569 0.020 . 1032 1242 90 GLN HE21 H 6.757 0.020 . 1033 1242 90 GLN HE22 H 7.386 0.020 . 1034 1242 90 GLN C C 177.210 0.400 . 1035 1242 90 GLN CA C 58.153 0.400 . 1036 1242 90 GLN CB C 28.818 0.400 . 1037 1242 90 GLN CG C 33.991 0.400 . 1038 1242 90 GLN N N 117.572 0.400 . 1039 1242 90 GLN NE2 N 111.099 0.400 . 1040 1243 91 THR H H 7.983 0.020 . 1041 1243 91 THR HA H 4.021 0.020 . 1042 1243 91 THR HB H 3.781 0.020 . 1043 1243 91 THR HG2 H 0.672 0.020 . 1044 1243 91 THR C C 175.038 0.400 . 1045 1243 91 THR CA C 65.115 0.400 . 1046 1243 91 THR CB C 69.762 0.400 . 1047 1243 91 THR CG2 C 20.904 0.400 . 1048 1243 91 THR N N 112.913 0.400 . 1049 1244 92 TYR H H 8.447 0.020 . 1050 1244 92 TYR HA H 4.736 0.020 . 1051 1244 92 TYR HB2 H 2.780 0.020 . 1052 1244 92 TYR HB3 H 3.282 0.020 . 1053 1244 92 TYR HD1 H 7.168 0.020 . 1054 1244 92 TYR HD2 H 7.168 0.020 . 1055 1244 92 TYR HE1 H 6.825 0.020 . 1056 1244 92 TYR HE2 H 6.825 0.020 . 1057 1244 92 TYR C C 176.817 0.400 . 1058 1244 92 TYR CA C 58.476 0.400 . 1059 1244 92 TYR CB C 40.447 0.400 . 1060 1244 92 TYR CD1 C 132.894 0.400 . 1061 1244 92 TYR CD2 C 132.898 0.400 . 1062 1244 92 TYR CE1 C 118.526 0.400 . 1063 1244 92 TYR CE2 C 118.551 0.400 . 1064 1244 92 TYR N N 118.177 0.400 . 1065 1245 93 GLY H H 8.026 0.020 . 1066 1245 93 GLY HA2 H 4.068 0.020 . 1067 1245 93 GLY HA3 H 4.151 0.020 . 1068 1245 93 GLY C C 173.830 0.400 . 1069 1245 93 GLY CA C 46.170 0.400 . 1070 1245 93 GLY N N 109.707 0.400 . 1071 1246 94 SER H H 7.615 0.020 . 1072 1246 94 SER HA H 4.664 0.020 . 1073 1246 94 SER HB2 H 3.770 0.020 . 1074 1246 94 SER HB3 H 3.843 0.020 . 1075 1246 94 SER C C 172.951 0.400 . 1076 1246 94 SER CA C 57.427 0.400 . 1077 1246 94 SER CB C 64.811 0.400 . 1078 1246 94 SER N N 113.950 0.400 . 1079 1247 95 THR H H 7.889 0.020 . 1080 1247 95 THR HA H 4.434 0.020 . 1081 1247 95 THR HB H 4.246 0.020 . 1082 1247 95 THR HG2 H 1.183 0.020 . 1083 1247 95 THR C C 174.717 0.400 . 1084 1247 95 THR CA C 61.118 0.400 . 1085 1247 95 THR CB C 70.625 0.400 . 1086 1247 95 THR CG2 C 22.132 0.400 . 1087 1247 95 THR N N 110.221 0.400 . 1088 1248 96 LEU H H 8.980 0.020 . 1089 1248 96 LEU HA H 4.318 0.020 . 1090 1248 96 LEU HB2 H 1.497 0.020 . 1091 1248 96 LEU HB3 H 1.497 0.020 . 1092 1248 96 LEU HG H 1.529 0.020 . 1093 1248 96 LEU HD1 H 0.795 0.020 . 1094 1248 96 LEU HD2 H 0.763 0.020 . 1095 1248 96 LEU C C 176.973 0.400 . 1096 1248 96 LEU CA C 54.986 0.400 . 1097 1248 96 LEU CB C 42.804 0.400 . 1098 1248 96 LEU CG C 26.709 0.400 . 1099 1248 96 LEU CD1 C 24.957 0.400 . 1100 1248 96 LEU CD2 C 24.007 0.400 . 1101 1248 96 LEU N N 124.226 0.400 . 1102 1249 97 LYS H H 8.624 0.020 . 1103 1249 97 LYS HA H 4.433 0.020 . 1104 1249 97 LYS HB2 H 1.732 0.020 . 1105 1249 97 LYS HB3 H 1.821 0.020 . 1106 1249 97 LYS HG2 H 1.357 0.020 . 1107 1249 97 LYS HG3 H 1.438 0.020 . 1108 1249 97 LYS HD2 H 1.647 0.020 . 1109 1249 97 LYS HD3 H 1.647 0.020 . 1110 1249 97 LYS HE2 H 2.956 0.020 . 1111 1249 97 LYS HE3 H 2.956 0.020 . 1112 1249 97 LYS C C 176.016 0.400 . 1113 1249 97 LYS CA C 55.836 0.400 . 1114 1249 97 LYS CB C 32.498 0.400 . 1115 1249 97 LYS CG C 24.773 0.400 . 1116 1249 97 LYS CD C 29.105 0.400 . 1117 1249 97 LYS CE C 42.210 0.400 . 1118 1249 97 LYS N N 125.084 0.400 . 1119 1250 98 VAL H H 8.355 0.020 . 1120 1250 98 VAL HA H 4.269 0.020 . 1121 1250 98 VAL HB H 2.155 0.020 . 1122 1250 98 VAL HG1 H 0.952 0.020 . 1123 1250 98 VAL HG2 H 0.922 0.020 . 1124 1250 98 VAL C C 175.164 0.400 . 1125 1250 98 VAL CA C 62.061 0.400 . 1126 1250 98 VAL CB C 32.789 0.400 . 1127 1250 98 VAL CG1 C 21.723 0.400 . 1128 1250 98 VAL CG2 C 20.556 0.400 . 1129 1250 98 VAL N N 122.667 0.400 . 1130 1251 99 THR H H 7.715 0.020 . 1131 1251 99 THR HA H 4.159 0.020 . 1132 1251 99 THR HB H 4.237 0.020 . 1133 1251 99 THR HG2 H 1.146 0.020 . 1134 1251 99 THR C C 178.975 0.400 . 1135 1251 99 THR CA C 62.892 0.400 . 1136 1251 99 THR CB C 70.727 0.400 . 1137 1251 99 THR CG2 C 22.241 0.400 . 1138 1251 99 THR N N 122.114 0.400 . 1139 1254 102 HIS HA H 4.679 0.020 . 1140 1254 102 HIS HB2 H 3.097 0.020 . 1141 1254 102 HIS HB3 H 3.186 0.020 . 1142 1254 102 HIS HD2 H 7.101 0.020 . 1143 1254 102 HIS HE1 H 8.010 0.020 . 1144 1254 102 HIS C C 175.166 0.400 . 1145 1254 102 HIS CA C 56.181 0.400 . 1146 1254 102 HIS CB C 30.551 0.400 . 1147 1254 102 HIS CE1 C 138.078 0.400 . 1148 1255 103 LYS H H 8.310 0.020 . 1149 1255 103 LYS HA H 4.339 0.020 . 1150 1255 103 LYS HB2 H 1.719 0.020 . 1151 1255 103 LYS HB3 H 1.853 0.020 . 1152 1255 103 LYS HG2 H 1.408 0.020 . 1153 1255 103 LYS HG3 H 1.408 0.020 . 1154 1255 103 LYS HD2 H 1.692 0.020 . 1155 1255 103 LYS HD3 H 1.692 0.020 . 1156 1255 103 LYS HE2 H 3.008 0.020 . 1157 1255 103 LYS HE3 H 3.008 0.020 . 1158 1255 103 LYS C C 175.653 0.400 . 1159 1255 103 LYS CA C 56.400 0.400 . 1160 1255 103 LYS CB C 33.194 0.400 . 1161 1255 103 LYS CG C 24.920 0.400 . 1162 1255 103 LYS CD C 29.296 0.400 . 1163 1255 103 LYS CE C 42.198 0.400 . 1164 1255 103 LYS N N 123.203 0.400 . 1165 1256 104 LYS H H 8.310 0.020 . 1166 1256 104 LYS HA H 4.424 0.020 . 1167 1256 104 LYS HB2 H 1.721 0.020 . 1168 1256 104 LYS HB3 H 1.851 0.020 . 1169 1256 104 LYS HG2 H 1.430 0.020 . 1170 1256 104 LYS HG3 H 1.481 0.020 . 1171 1256 104 LYS HD2 H 1.668 0.020 . 1172 1256 104 LYS HD3 H 1.440 0.020 . 1173 1256 104 LYS HE2 H 2.968 0.020 . 1174 1256 104 LYS HE3 H 2.968 0.020 . 1175 1256 104 LYS C C 175.719 0.400 . 1176 1256 104 LYS CA C 55.590 0.400 . 1177 1256 104 LYS CB C 34.144 0.400 . 1178 1256 104 LYS CG C 24.834 0.400 . 1179 1256 104 LYS CD C 29.123 0.400 . 1180 1256 104 LYS CE C 42.208 0.400 . 1181 1256 104 LYS N N 122.065 0.400 . 1182 1257 105 SER H H 8.481 0.020 . 1183 1257 105 SER HA H 4.850 0.020 . 1184 1257 105 SER HB2 H 3.720 0.020 . 1185 1257 105 SER HB3 H 4.213 0.020 . 1186 1257 105 SER C C 175.692 0.400 . 1187 1257 105 SER CA C 58.024 0.400 . 1188 1257 105 SER CB C 63.760 0.400 . 1189 1257 105 SER N N 118.694 0.400 . 1190 1258 106 PHE H H 10.896 0.020 . 1191 1258 106 PHE HA H 4.112 0.020 . 1192 1258 106 PHE HB2 H 2.258 0.020 . 1193 1258 106 PHE HB3 H 3.265 0.020 . 1194 1258 106 PHE HE1 H 7.076 0.020 . 1195 1258 106 PHE HE2 H 7.076 0.020 . 1196 1258 106 PHE C C 177.701 0.400 . 1197 1258 106 PHE CA C 61.747 0.400 . 1198 1258 106 PHE CB C 40.100 0.400 . 1199 1258 106 PHE CE1 C 131.017 0.400 . 1200 1258 106 PHE N N 132.826 0.400 . 1201 1259 107 PHE H H 8.253 0.020 . 1202 1259 107 PHE HA H 3.893 0.020 . 1203 1259 107 PHE HB2 H 3.040 0.020 . 1204 1259 107 PHE HB3 H 2.743 0.020 . 1205 1259 107 PHE HD1 H 7.025 0.020 . 1206 1259 107 PHE HD2 H 7.025 0.020 . 1207 1259 107 PHE HE1 H 6.220 0.020 . 1208 1259 107 PHE HE2 H 6.220 0.020 . 1209 1259 107 PHE HZ H 6.311 0.020 . 1210 1259 107 PHE C C 178.237 0.400 . 1211 1259 107 PHE CA C 62.039 0.400 . 1212 1259 107 PHE CB C 37.241 0.400 . 1213 1259 107 PHE CD1 C 130.361 0.400 . 1214 1259 107 PHE CD2 C 130.433 0.400 . 1215 1259 107 PHE CE1 C 130.433 0.400 . 1216 1259 107 PHE CE2 C 130.459 0.400 . 1217 1259 107 PHE CZ C 129.489 0.400 . 1218 1259 107 PHE N N 117.298 0.400 . 1219 1260 108 ASP H H 8.617 0.020 . 1220 1260 108 ASP HA H 4.398 0.020 . 1221 1260 108 ASP HB2 H 2.627 0.020 . 1222 1260 108 ASP HB3 H 2.627 0.020 . 1223 1260 108 ASP C C 179.312 0.400 . 1224 1260 108 ASP CA C 57.425 0.400 . 1225 1260 108 ASP CB C 39.676 0.400 . 1226 1260 108 ASP N N 121.658 0.400 . 1227 1261 109 LYS H H 7.521 0.020 . 1228 1261 109 LYS HA H 3.949 0.020 . 1229 1261 109 LYS HB2 H 1.793 0.020 . 1230 1261 109 LYS HB3 H 1.871 0.020 . 1231 1261 109 LYS HG2 H 1.421 0.020 . 1232 1261 109 LYS HG3 H 1.213 0.020 . 1233 1261 109 LYS HD2 H 1.613 0.020 . 1234 1261 109 LYS HD3 H 1.613 0.020 . 1235 1261 109 LYS HE2 H 2.914 0.020 . 1236 1261 109 LYS HE3 H 2.914 0.020 . 1237 1261 109 LYS C C 179.279 0.400 . 1238 1261 109 LYS CA C 59.559 0.400 . 1239 1261 109 LYS CB C 31.717 0.400 . 1240 1261 109 LYS CG C 24.919 0.400 . 1241 1261 109 LYS CD C 29.423 0.400 . 1242 1261 109 LYS CE C 41.974 0.400 . 1243 1261 109 LYS N N 122.104 0.400 . 1244 1262 110 LYS H H 7.751 0.020 . 1245 1262 110 LYS HA H 3.857 0.020 . 1246 1262 110 LYS HB2 H 1.658 0.020 . 1247 1262 110 LYS HB3 H 1.786 0.020 . 1248 1262 110 LYS HG2 H 0.732 0.020 . 1249 1262 110 LYS HG3 H 0.732 0.020 . 1250 1262 110 LYS HD2 H 1.353 0.020 . 1251 1262 110 LYS HD3 H 1.353 0.020 . 1252 1262 110 LYS HE2 H 2.428 0.020 . 1253 1262 110 LYS HE3 H 2.664 0.020 . 1254 1262 110 LYS C C 179.358 0.400 . 1255 1262 110 LYS CA C 56.964 0.400 . 1256 1262 110 LYS CB C 30.655 0.400 . 1257 1262 110 LYS CG C 23.125 0.400 . 1258 1262 110 LYS CD C 26.608 0.400 . 1259 1262 110 LYS CE C 41.922 0.400 . 1260 1262 110 LYS N N 117.604 0.400 . 1261 1263 111 ARG H H 8.448 0.020 . 1262 1263 111 ARG HA H 4.042 0.020 . 1263 1263 111 ARG HB2 H 1.797 0.020 . 1264 1263 111 ARG HB3 H 1.853 0.020 . 1265 1263 111 ARG HG2 H 1.354 0.020 . 1266 1263 111 ARG HG3 H 1.468 0.020 . 1267 1263 111 ARG HD2 H 3.304 0.020 . 1268 1263 111 ARG HD3 H 3.304 0.020 . 1269 1263 111 ARG C C 178.599 0.400 . 1270 1263 111 ARG CA C 59.434 0.400 . 1271 1263 111 ARG CB C 30.782 0.400 . 1272 1263 111 ARG CG C 28.032 0.400 . 1273 1263 111 ARG CD C 43.089 0.400 . 1274 1263 111 ARG N N 120.661 0.400 . 1275 1264 112 SER H H 7.649 0.020 . 1276 1264 112 SER HA H 4.295 0.020 . 1277 1264 112 SER HB2 H 3.974 0.020 . 1278 1264 112 SER HB3 H 3.974 0.020 . 1279 1264 112 SER C C 175.203 0.400 . 1280 1264 112 SER CA C 60.569 0.400 . 1281 1264 112 SER CB C 63.575 0.400 . 1282 1264 112 SER N N 112.831 0.400 . 1283 1265 113 GLU H H 7.570 0.020 . 1284 1265 113 GLU HA H 4.140 0.020 . 1285 1265 113 GLU HB2 H 1.991 0.020 . 1286 1265 113 GLU HB3 H 1.991 0.020 . 1287 1265 113 GLU HG2 H 2.178 0.020 . 1288 1265 113 GLU HG3 H 2.410 0.020 . 1289 1265 113 GLU C C 176.558 0.400 . 1290 1265 113 GLU CA C 57.005 0.400 . 1291 1265 113 GLU CB C 30.460 0.400 . 1292 1265 113 GLU CG C 36.417 0.400 . 1293 1265 113 GLU N N 120.113 0.400 . 1294 1266 114 ARG H H 7.483 0.020 . 1295 1266 114 ARG HA H 4.032 0.020 . 1296 1266 114 ARG HB2 H 1.538 0.020 . 1297 1266 114 ARG HB3 H 1.538 0.020 . 1298 1266 114 ARG HG2 H 1.312 0.020 . 1299 1266 114 ARG HG3 H 1.312 0.020 . 1300 1266 114 ARG HD2 H 2.895 0.020 . 1301 1266 114 ARG HD3 H 2.946 0.020 . 1302 1266 114 ARG C C 175.255 0.400 . 1303 1266 114 ARG CA C 56.114 0.400 . 1304 1266 114 ARG CB C 30.439 0.400 . 1305 1266 114 ARG CG C 27.036 0.400 . 1306 1266 114 ARG CD C 42.958 0.400 . 1307 1266 114 ARG N N 119.419 0.400 . 1308 1267 115 LYS H H 7.922 0.020 . 1309 1267 115 LYS HA H 4.258 0.020 . 1310 1267 115 LYS HB2 H 1.546 0.020 . 1311 1267 115 LYS HB3 H 1.714 0.020 . 1312 1267 115 LYS HG2 H 1.275 0.020 . 1313 1267 115 LYS HG3 H 1.275 0.020 . 1314 1267 115 LYS HD2 H 1.596 0.020 . 1315 1267 115 LYS HD3 H 1.596 0.020 . 1316 1267 115 LYS HE2 H 2.941 0.020 . 1317 1267 115 LYS HE3 H 2.941 0.020 . 1318 1267 115 LYS C C 175.270 0.400 . 1319 1267 115 LYS CA C 55.840 0.400 . 1320 1267 115 LYS CB C 32.513 0.400 . 1321 1267 115 LYS CG C 24.592 0.400 . 1322 1267 115 LYS CD C 28.831 0.400 . 1323 1267 115 LYS CE C 42.237 0.400 . 1324 1267 115 LYS N N 122.182 0.400 . 1325 1268 116 TRP H H 7.648 0.020 . 1326 1268 116 TRP HA H 4.474 0.020 . 1327 1268 116 TRP HB2 H 3.083 0.020 . 1328 1268 116 TRP HB3 H 3.368 0.020 . 1329 1268 116 TRP HD1 H 7.161 0.020 . 1330 1268 116 TRP HE1 H 10.024 0.020 . 1331 1268 116 TRP HE3 H 7.641 0.020 . 1332 1268 116 TRP HZ2 H 7.373 0.020 . 1333 1268 116 TRP HZ3 H 7.357 0.020 . 1334 1268 116 TRP CA C 58.521 0.400 . 1335 1268 116 TRP CB C 30.207 0.400 . 1336 1268 116 TRP CD1 C 127.073 0.400 . 1337 1268 116 TRP CZ2 C 114.174 0.400 . 1338 1268 116 TRP CZ3 C 130.173 0.400 . 1339 1268 116 TRP N N 127.616 0.400 . 1340 1268 116 TRP NE1 N 128.666 0.400 . stop_ save_