data_27073 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27073 _Entry.Title ; Ile- 1 Methyl resonance assignment of the Hepatitis C Virus RNA-dependent RNA-polymerase NS5B (strain JFH-1). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-13 _Entry.Accession_date 2017-04-13 _Entry.Last_release_date 2017-04-13 _Entry.Original_release_date 2017-04-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . 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 Xavier Hanoulle . . . . 27073 2 Helene Launay . . . . 27073 3 Luiza Mamigonian-Bessa . . . . 27073 4 Francois-Xavier Cantrelle . . . . 27073 5 Robert Schneider . . . . 27073 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CNRS UMR8576 - NMR and Molecular Interactions team' . 27073 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27073 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 20 27073 '1H chemical shifts' 60 27073 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 . . 2017-10-11 2017-04-13 update BMRB 'update entry citation' 27073 1 . . 2017-09-13 2017-04-13 original author 'original release' 27073 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2XXD . 27073 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27073 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28912275 _Citation.Full_citation . _Citation.Title ; NMR reveals the intrinsically disordered domain 2 of NS5A protein as an allosteric regulator of the hepatitis C virus RNA polymerase NS5B ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 117 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 813766 _Citation.Page_last 813766 _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 Luiza Bessa . M. . . 27073 1 2 Helene Launay . . . . 27073 1 3 Marie Dujardin . . . . 27073 1 4 Francois-Xavier Cantrelle . . . . 27073 1 5 Guy Lippens . . . . 27073 1 6 Isabelle Landrieu . . . . 27073 1 7 Robert Schneider . . . . 27073 1 8 Xavier Hanoulle . . . . 27073 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27073 _Assembly.ID 1 _Assembly.Name 'NS5Bd21 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 NS5Bd21 1 $HCV_polymerase_polypeptide A . yes native no no . . . 27073 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCV_polymerase_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode HCV_polymerase_polypeptide _Entity.Entry_ID 27073 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCV_polymerase_polypeptide _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 ; SMSYSWTGALITPCSPEEEK LPINPLSNSLLRYHNKVYCT TSKSASQRAKKVTFDRTQVL DAHYDSVLKDIKLAASKVSA RLLTLEEACQLTPPHSARSK YGFGAKEVRSLSGRAVNHIK SVWKDLLEDPQTPIPTTIMA KNEVFCVDPAKGGKKPARLI VYPDLGVRVCEKMALYDITQ KLPQAVMGASYGFQYSPAQR VEYLLKAWAEKKDPMGFSYD TRCFDSTVTERDIRTEESIY QACSLPEEARTAIHSLTERL YVGGPMFNSKGQTCGYRRCR ASGVLTTSMGNTITCYVKAL AACKAAGIVAPTMLVCGDDL VVISESQGTEEDERNLRAFT EAMTRYSAPPGDPPRPEYDL ELITSCSSNVSVALGPRGRR RYYLTRDPTTPLARAAWETV RHSPINSWLGNIIQYAPTIW VRMVLMTHFFSILMVQDTLD QNLNFEMYGSVYSVNPLDLP AIIERLHGLDAFSMHTYSHH ELTRVASALRKLGAPPLRVW KSRARAVRASLISRGGKAAV CGRYLFNWAVKTKLKLTPLP EARLLDLSSWFTVGAGGGDI FHSVSRARPRSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This is the soluble HCV polymerase without its 21 C-terminal residues (delta21). Residues 571-577 correspond to a non-native affinity tag. ; _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 577 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q99IB8 . . . . . . . . . . . . . . . . 27073 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA-dependent RNA polymerase' 27073 1 stop_ 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 . SER . 27073 1 2 . MET . 27073 1 3 . SER . 27073 1 4 . TYR . 27073 1 5 . SER . 27073 1 6 . TRP . 27073 1 7 . THR . 27073 1 8 . GLY . 27073 1 9 . ALA . 27073 1 10 . LEU . 27073 1 11 . ILE . 27073 1 12 . THR . 27073 1 13 . PRO . 27073 1 14 . CYS . 27073 1 15 . SER . 27073 1 16 . PRO . 27073 1 17 . GLU . 27073 1 18 . GLU . 27073 1 19 . GLU . 27073 1 20 . LYS . 27073 1 21 . LEU . 27073 1 22 . PRO . 27073 1 23 . ILE . 27073 1 24 . ASN . 27073 1 25 . PRO . 27073 1 26 . LEU . 27073 1 27 . SER . 27073 1 28 . ASN . 27073 1 29 . SER . 27073 1 30 . LEU . 27073 1 31 . LEU . 27073 1 32 . ARG . 27073 1 33 . TYR . 27073 1 34 . HIS . 27073 1 35 . ASN . 27073 1 36 . LYS . 27073 1 37 . VAL . 27073 1 38 . TYR . 27073 1 39 . CYS . 27073 1 40 . THR . 27073 1 41 . THR . 27073 1 42 . SER . 27073 1 43 . LYS . 27073 1 44 . SER . 27073 1 45 . ALA . 27073 1 46 . SER . 27073 1 47 . GLN . 27073 1 48 . ARG . 27073 1 49 . ALA . 27073 1 50 . LYS . 27073 1 51 . LYS . 27073 1 52 . VAL . 27073 1 53 . THR . 27073 1 54 . PHE . 27073 1 55 . ASP . 27073 1 56 . ARG . 27073 1 57 . THR . 27073 1 58 . GLN . 27073 1 59 . VAL . 27073 1 60 . LEU . 27073 1 61 . ASP . 27073 1 62 . ALA . 27073 1 63 . HIS . 27073 1 64 . TYR . 27073 1 65 . ASP . 27073 1 66 . SER . 27073 1 67 . VAL . 27073 1 68 . LEU . 27073 1 69 . LYS . 27073 1 70 . ASP . 27073 1 71 . ILE . 27073 1 72 . LYS . 27073 1 73 . LEU . 27073 1 74 . ALA . 27073 1 75 . ALA . 27073 1 76 . SER . 27073 1 77 . LYS . 27073 1 78 . VAL . 27073 1 79 . SER . 27073 1 80 . ALA . 27073 1 81 . ARG . 27073 1 82 . LEU . 27073 1 83 . LEU . 27073 1 84 . THR . 27073 1 85 . LEU . 27073 1 86 . GLU . 27073 1 87 . GLU . 27073 1 88 . ALA . 27073 1 89 . CYS . 27073 1 90 . GLN . 27073 1 91 . LEU . 27073 1 92 . THR . 27073 1 93 . PRO . 27073 1 94 . PRO . 27073 1 95 . HIS . 27073 1 96 . SER . 27073 1 97 . ALA . 27073 1 98 . ARG . 27073 1 99 . SER . 27073 1 100 . LYS . 27073 1 101 . TYR . 27073 1 102 . GLY . 27073 1 103 . PHE . 27073 1 104 . GLY . 27073 1 105 . ALA . 27073 1 106 . LYS . 27073 1 107 . GLU . 27073 1 108 . VAL . 27073 1 109 . ARG . 27073 1 110 . SER . 27073 1 111 . LEU . 27073 1 112 . SER . 27073 1 113 . GLY . 27073 1 114 . ARG . 27073 1 115 . ALA . 27073 1 116 . VAL . 27073 1 117 . ASN . 27073 1 118 . HIS . 27073 1 119 . ILE . 27073 1 120 . LYS . 27073 1 121 . SER . 27073 1 122 . VAL . 27073 1 123 . TRP . 27073 1 124 . LYS . 27073 1 125 . ASP . 27073 1 126 . LEU . 27073 1 127 . LEU . 27073 1 128 . GLU . 27073 1 129 . ASP . 27073 1 130 . PRO . 27073 1 131 . GLN . 27073 1 132 . THR . 27073 1 133 . PRO . 27073 1 134 . ILE . 27073 1 135 . PRO . 27073 1 136 . THR . 27073 1 137 . THR . 27073 1 138 . ILE . 27073 1 139 . MET . 27073 1 140 . ALA . 27073 1 141 . LYS . 27073 1 142 . ASN . 27073 1 143 . GLU . 27073 1 144 . VAL . 27073 1 145 . PHE . 27073 1 146 . CYS . 27073 1 147 . VAL . 27073 1 148 . ASP . 27073 1 149 . PRO . 27073 1 150 . ALA . 27073 1 151 . LYS . 27073 1 152 . GLY . 27073 1 153 . GLY . 27073 1 154 . LYS . 27073 1 155 . LYS . 27073 1 156 . PRO . 27073 1 157 . ALA . 27073 1 158 . ARG . 27073 1 159 . LEU . 27073 1 160 . ILE . 27073 1 161 . VAL . 27073 1 162 . TYR . 27073 1 163 . PRO . 27073 1 164 . ASP . 27073 1 165 . LEU . 27073 1 166 . GLY . 27073 1 167 . VAL . 27073 1 168 . ARG . 27073 1 169 . VAL . 27073 1 170 . CYS . 27073 1 171 . GLU . 27073 1 172 . LYS . 27073 1 173 . MET . 27073 1 174 . ALA . 27073 1 175 . LEU . 27073 1 176 . TYR . 27073 1 177 . ASP . 27073 1 178 . ILE . 27073 1 179 . THR . 27073 1 180 . GLN . 27073 1 181 . LYS . 27073 1 182 . LEU . 27073 1 183 . PRO . 27073 1 184 . GLN . 27073 1 185 . ALA . 27073 1 186 . VAL . 27073 1 187 . MET . 27073 1 188 . GLY . 27073 1 189 . ALA . 27073 1 190 . SER . 27073 1 191 . TYR . 27073 1 192 . GLY . 27073 1 193 . PHE . 27073 1 194 . GLN . 27073 1 195 . TYR . 27073 1 196 . SER . 27073 1 197 . PRO . 27073 1 198 . ALA . 27073 1 199 . GLN . 27073 1 200 . ARG . 27073 1 201 . VAL . 27073 1 202 . GLU . 27073 1 203 . TYR . 27073 1 204 . LEU . 27073 1 205 . LEU . 27073 1 206 . LYS . 27073 1 207 . ALA . 27073 1 208 . TRP . 27073 1 209 . ALA . 27073 1 210 . GLU . 27073 1 211 . LYS . 27073 1 212 . LYS . 27073 1 213 . ASP . 27073 1 214 . PRO . 27073 1 215 . MET . 27073 1 216 . GLY . 27073 1 217 . PHE . 27073 1 218 . SER . 27073 1 219 . TYR . 27073 1 220 . ASP . 27073 1 221 . THR . 27073 1 222 . ARG . 27073 1 223 . CYS . 27073 1 224 . PHE . 27073 1 225 . ASP . 27073 1 226 . SER . 27073 1 227 . THR . 27073 1 228 . VAL . 27073 1 229 . THR . 27073 1 230 . GLU . 27073 1 231 . ARG . 27073 1 232 . ASP . 27073 1 233 . ILE . 27073 1 234 . ARG . 27073 1 235 . THR . 27073 1 236 . GLU . 27073 1 237 . GLU . 27073 1 238 . SER . 27073 1 239 . ILE . 27073 1 240 . TYR . 27073 1 241 . GLN . 27073 1 242 . ALA . 27073 1 243 . CYS . 27073 1 244 . SER . 27073 1 245 . LEU . 27073 1 246 . PRO . 27073 1 247 . GLU . 27073 1 248 . GLU . 27073 1 249 . ALA . 27073 1 250 . ARG . 27073 1 251 . THR . 27073 1 252 . ALA . 27073 1 253 . ILE . 27073 1 254 . HIS . 27073 1 255 . SER . 27073 1 256 . LEU . 27073 1 257 . THR . 27073 1 258 . GLU . 27073 1 259 . ARG . 27073 1 260 . LEU . 27073 1 261 . TYR . 27073 1 262 . VAL . 27073 1 263 . GLY . 27073 1 264 . GLY . 27073 1 265 . PRO . 27073 1 266 . MET . 27073 1 267 . PHE . 27073 1 268 . ASN . 27073 1 269 . SER . 27073 1 270 . LYS . 27073 1 271 . GLY . 27073 1 272 . GLN . 27073 1 273 . THR . 27073 1 274 . CYS . 27073 1 275 . GLY . 27073 1 276 . TYR . 27073 1 277 . ARG . 27073 1 278 . ARG . 27073 1 279 . CYS . 27073 1 280 . ARG . 27073 1 281 . ALA . 27073 1 282 . SER . 27073 1 283 . GLY . 27073 1 284 . VAL . 27073 1 285 . LEU . 27073 1 286 . THR . 27073 1 287 . THR . 27073 1 288 . SER . 27073 1 289 . MET . 27073 1 290 . GLY . 27073 1 291 . ASN . 27073 1 292 . THR . 27073 1 293 . ILE . 27073 1 294 . THR . 27073 1 295 . CYS . 27073 1 296 . TYR . 27073 1 297 . VAL . 27073 1 298 . LYS . 27073 1 299 . ALA . 27073 1 300 . LEU . 27073 1 301 . ALA . 27073 1 302 . ALA . 27073 1 303 . CYS . 27073 1 304 . LYS . 27073 1 305 . ALA . 27073 1 306 . ALA . 27073 1 307 . GLY . 27073 1 308 . ILE . 27073 1 309 . VAL . 27073 1 310 . ALA . 27073 1 311 . PRO . 27073 1 312 . THR . 27073 1 313 . MET . 27073 1 314 . LEU . 27073 1 315 . VAL . 27073 1 316 . CYS . 27073 1 317 . GLY . 27073 1 318 . ASP . 27073 1 319 . ASP . 27073 1 320 . LEU . 27073 1 321 . VAL . 27073 1 322 . VAL . 27073 1 323 . ILE . 27073 1 324 . SER . 27073 1 325 . GLU . 27073 1 326 . SER . 27073 1 327 . GLN . 27073 1 328 . GLY . 27073 1 329 . THR . 27073 1 330 . GLU . 27073 1 331 . GLU . 27073 1 332 . ASP . 27073 1 333 . GLU . 27073 1 334 . ARG . 27073 1 335 . ASN . 27073 1 336 . LEU . 27073 1 337 . ARG . 27073 1 338 . ALA . 27073 1 339 . PHE . 27073 1 340 . THR . 27073 1 341 . GLU . 27073 1 342 . ALA . 27073 1 343 . MET . 27073 1 344 . THR . 27073 1 345 . ARG . 27073 1 346 . TYR . 27073 1 347 . SER . 27073 1 348 . ALA . 27073 1 349 . PRO . 27073 1 350 . PRO . 27073 1 351 . GLY . 27073 1 352 . ASP . 27073 1 353 . PRO . 27073 1 354 . PRO . 27073 1 355 . ARG . 27073 1 356 . PRO . 27073 1 357 . GLU . 27073 1 358 . TYR . 27073 1 359 . ASP . 27073 1 360 . LEU . 27073 1 361 . GLU . 27073 1 362 . LEU . 27073 1 363 . ILE . 27073 1 364 . THR . 27073 1 365 . SER . 27073 1 366 . CYS . 27073 1 367 . SER . 27073 1 368 . SER . 27073 1 369 . ASN . 27073 1 370 . VAL . 27073 1 371 . SER . 27073 1 372 . VAL . 27073 1 373 . ALA . 27073 1 374 . LEU . 27073 1 375 . GLY . 27073 1 376 . PRO . 27073 1 377 . ARG . 27073 1 378 . GLY . 27073 1 379 . ARG . 27073 1 380 . ARG . 27073 1 381 . ARG . 27073 1 382 . TYR . 27073 1 383 . TYR . 27073 1 384 . LEU . 27073 1 385 . THR . 27073 1 386 . ARG . 27073 1 387 . ASP . 27073 1 388 . PRO . 27073 1 389 . THR . 27073 1 390 . THR . 27073 1 391 . PRO . 27073 1 392 . LEU . 27073 1 393 . ALA . 27073 1 394 . ARG . 27073 1 395 . ALA . 27073 1 396 . ALA . 27073 1 397 . TRP . 27073 1 398 . GLU . 27073 1 399 . THR . 27073 1 400 . VAL . 27073 1 401 . ARG . 27073 1 402 . HIS . 27073 1 403 . SER . 27073 1 404 . PRO . 27073 1 405 . ILE . 27073 1 406 . ASN . 27073 1 407 . SER . 27073 1 408 . TRP . 27073 1 409 . LEU . 27073 1 410 . GLY . 27073 1 411 . ASN . 27073 1 412 . ILE . 27073 1 413 . ILE . 27073 1 414 . GLN . 27073 1 415 . TYR . 27073 1 416 . ALA . 27073 1 417 . PRO . 27073 1 418 . THR . 27073 1 419 . ILE . 27073 1 420 . TRP . 27073 1 421 . VAL . 27073 1 422 . ARG . 27073 1 423 . MET . 27073 1 424 . VAL . 27073 1 425 . LEU . 27073 1 426 . MET . 27073 1 427 . THR . 27073 1 428 . HIS . 27073 1 429 . PHE . 27073 1 430 . PHE . 27073 1 431 . SER . 27073 1 432 . ILE . 27073 1 433 . LEU . 27073 1 434 . MET . 27073 1 435 . VAL . 27073 1 436 . GLN . 27073 1 437 . ASP . 27073 1 438 . THR . 27073 1 439 . LEU . 27073 1 440 . ASP . 27073 1 441 . GLN . 27073 1 442 . ASN . 27073 1 443 . LEU . 27073 1 444 . ASN . 27073 1 445 . PHE . 27073 1 446 . GLU . 27073 1 447 . MET . 27073 1 448 . TYR . 27073 1 449 . GLY . 27073 1 450 . SER . 27073 1 451 . VAL . 27073 1 452 . TYR . 27073 1 453 . SER . 27073 1 454 . VAL . 27073 1 455 . ASN . 27073 1 456 . PRO . 27073 1 457 . LEU . 27073 1 458 . ASP . 27073 1 459 . LEU . 27073 1 460 . PRO . 27073 1 461 . ALA . 27073 1 462 . ILE . 27073 1 463 . ILE . 27073 1 464 . GLU . 27073 1 465 . ARG . 27073 1 466 . LEU . 27073 1 467 . HIS . 27073 1 468 . GLY . 27073 1 469 . LEU . 27073 1 470 . ASP . 27073 1 471 . ALA . 27073 1 472 . PHE . 27073 1 473 . SER . 27073 1 474 . MET . 27073 1 475 . HIS . 27073 1 476 . THR . 27073 1 477 . TYR . 27073 1 478 . SER . 27073 1 479 . HIS . 27073 1 480 . HIS . 27073 1 481 . GLU . 27073 1 482 . LEU . 27073 1 483 . THR . 27073 1 484 . ARG . 27073 1 485 . VAL . 27073 1 486 . ALA . 27073 1 487 . SER . 27073 1 488 . ALA . 27073 1 489 . LEU . 27073 1 490 . ARG . 27073 1 491 . LYS . 27073 1 492 . LEU . 27073 1 493 . GLY . 27073 1 494 . ALA . 27073 1 495 . PRO . 27073 1 496 . PRO . 27073 1 497 . LEU . 27073 1 498 . ARG . 27073 1 499 . VAL . 27073 1 500 . TRP . 27073 1 501 . LYS . 27073 1 502 . SER . 27073 1 503 . ARG . 27073 1 504 . ALA . 27073 1 505 . ARG . 27073 1 506 . ALA . 27073 1 507 . VAL . 27073 1 508 . ARG . 27073 1 509 . ALA . 27073 1 510 . SER . 27073 1 511 . LEU . 27073 1 512 . ILE . 27073 1 513 . SER . 27073 1 514 . ARG . 27073 1 515 . GLY . 27073 1 516 . GLY . 27073 1 517 . LYS . 27073 1 518 . ALA . 27073 1 519 . ALA . 27073 1 520 . VAL . 27073 1 521 . CYS . 27073 1 522 . GLY . 27073 1 523 . ARG . 27073 1 524 . TYR . 27073 1 525 . LEU . 27073 1 526 . PHE . 27073 1 527 . ASN . 27073 1 528 . TRP . 27073 1 529 . ALA . 27073 1 530 . VAL . 27073 1 531 . LYS . 27073 1 532 . THR . 27073 1 533 . LYS . 27073 1 534 . LEU . 27073 1 535 . LYS . 27073 1 536 . LEU . 27073 1 537 . THR . 27073 1 538 . PRO . 27073 1 539 . LEU . 27073 1 540 . PRO . 27073 1 541 . GLU . 27073 1 542 . ALA . 27073 1 543 . ARG . 27073 1 544 . LEU . 27073 1 545 . LEU . 27073 1 546 . ASP . 27073 1 547 . LEU . 27073 1 548 . SER . 27073 1 549 . SER . 27073 1 550 . TRP . 27073 1 551 . PHE . 27073 1 552 . THR . 27073 1 553 . VAL . 27073 1 554 . GLY . 27073 1 555 . ALA . 27073 1 556 . GLY . 27073 1 557 . GLY . 27073 1 558 . GLY . 27073 1 559 . ASP . 27073 1 560 . ILE . 27073 1 561 . PHE . 27073 1 562 . HIS . 27073 1 563 . SER . 27073 1 564 . VAL . 27073 1 565 . SER . 27073 1 566 . ARG . 27073 1 567 . ALA . 27073 1 568 . ARG . 27073 1 569 . PRO . 27073 1 570 . ARG . 27073 1 571 . SER . 27073 1 572 . HIS . 27073 1 573 . HIS . 27073 1 574 . HIS . 27073 1 575 . HIS . 27073 1 576 . HIS . 27073 1 577 . HIS . 27073 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 . SER 1 1 27073 1 . MET 2 2 27073 1 . SER 3 3 27073 1 . TYR 4 4 27073 1 . SER 5 5 27073 1 . TRP 6 6 27073 1 . THR 7 7 27073 1 . GLY 8 8 27073 1 . ALA 9 9 27073 1 . LEU 10 10 27073 1 . ILE 11 11 27073 1 . THR 12 12 27073 1 . PRO 13 13 27073 1 . CYS 14 14 27073 1 . SER 15 15 27073 1 . PRO 16 16 27073 1 . GLU 17 17 27073 1 . GLU 18 18 27073 1 . GLU 19 19 27073 1 . LYS 20 20 27073 1 . LEU 21 21 27073 1 . PRO 22 22 27073 1 . ILE 23 23 27073 1 . ASN 24 24 27073 1 . PRO 25 25 27073 1 . LEU 26 26 27073 1 . SER 27 27 27073 1 . ASN 28 28 27073 1 . SER 29 29 27073 1 . LEU 30 30 27073 1 . LEU 31 31 27073 1 . ARG 32 32 27073 1 . TYR 33 33 27073 1 . HIS 34 34 27073 1 . ASN 35 35 27073 1 . LYS 36 36 27073 1 . VAL 37 37 27073 1 . TYR 38 38 27073 1 . CYS 39 39 27073 1 . THR 40 40 27073 1 . THR 41 41 27073 1 . SER 42 42 27073 1 . LYS 43 43 27073 1 . SER 44 44 27073 1 . ALA 45 45 27073 1 . SER 46 46 27073 1 . GLN 47 47 27073 1 . ARG 48 48 27073 1 . ALA 49 49 27073 1 . LYS 50 50 27073 1 . LYS 51 51 27073 1 . VAL 52 52 27073 1 . THR 53 53 27073 1 . PHE 54 54 27073 1 . ASP 55 55 27073 1 . ARG 56 56 27073 1 . THR 57 57 27073 1 . GLN 58 58 27073 1 . VAL 59 59 27073 1 . LEU 60 60 27073 1 . ASP 61 61 27073 1 . ALA 62 62 27073 1 . HIS 63 63 27073 1 . TYR 64 64 27073 1 . ASP 65 65 27073 1 . SER 66 66 27073 1 . VAL 67 67 27073 1 . LEU 68 68 27073 1 . LYS 69 69 27073 1 . ASP 70 70 27073 1 . ILE 71 71 27073 1 . LYS 72 72 27073 1 . LEU 73 73 27073 1 . ALA 74 74 27073 1 . ALA 75 75 27073 1 . SER 76 76 27073 1 . LYS 77 77 27073 1 . VAL 78 78 27073 1 . SER 79 79 27073 1 . ALA 80 80 27073 1 . ARG 81 81 27073 1 . LEU 82 82 27073 1 . LEU 83 83 27073 1 . THR 84 84 27073 1 . LEU 85 85 27073 1 . GLU 86 86 27073 1 . GLU 87 87 27073 1 . ALA 88 88 27073 1 . CYS 89 89 27073 1 . GLN 90 90 27073 1 . LEU 91 91 27073 1 . THR 92 92 27073 1 . PRO 93 93 27073 1 . PRO 94 94 27073 1 . HIS 95 95 27073 1 . SER 96 96 27073 1 . ALA 97 97 27073 1 . ARG 98 98 27073 1 . SER 99 99 27073 1 . LYS 100 100 27073 1 . TYR 101 101 27073 1 . GLY 102 102 27073 1 . PHE 103 103 27073 1 . GLY 104 104 27073 1 . ALA 105 105 27073 1 . LYS 106 106 27073 1 . GLU 107 107 27073 1 . VAL 108 108 27073 1 . ARG 109 109 27073 1 . SER 110 110 27073 1 . LEU 111 111 27073 1 . SER 112 112 27073 1 . GLY 113 113 27073 1 . ARG 114 114 27073 1 . ALA 115 115 27073 1 . VAL 116 116 27073 1 . ASN 117 117 27073 1 . HIS 118 118 27073 1 . ILE 119 119 27073 1 . LYS 120 120 27073 1 . SER 121 121 27073 1 . VAL 122 122 27073 1 . TRP 123 123 27073 1 . LYS 124 124 27073 1 . ASP 125 125 27073 1 . LEU 126 126 27073 1 . LEU 127 127 27073 1 . GLU 128 128 27073 1 . ASP 129 129 27073 1 . PRO 130 130 27073 1 . GLN 131 131 27073 1 . THR 132 132 27073 1 . PRO 133 133 27073 1 . ILE 134 134 27073 1 . PRO 135 135 27073 1 . THR 136 136 27073 1 . THR 137 137 27073 1 . ILE 138 138 27073 1 . MET 139 139 27073 1 . ALA 140 140 27073 1 . LYS 141 141 27073 1 . ASN 142 142 27073 1 . GLU 143 143 27073 1 . VAL 144 144 27073 1 . PHE 145 145 27073 1 . CYS 146 146 27073 1 . VAL 147 147 27073 1 . ASP 148 148 27073 1 . PRO 149 149 27073 1 . ALA 150 150 27073 1 . LYS 151 151 27073 1 . GLY 152 152 27073 1 . GLY 153 153 27073 1 . LYS 154 154 27073 1 . LYS 155 155 27073 1 . PRO 156 156 27073 1 . ALA 157 157 27073 1 . ARG 158 158 27073 1 . LEU 159 159 27073 1 . ILE 160 160 27073 1 . VAL 161 161 27073 1 . TYR 162 162 27073 1 . PRO 163 163 27073 1 . ASP 164 164 27073 1 . LEU 165 165 27073 1 . GLY 166 166 27073 1 . VAL 167 167 27073 1 . ARG 168 168 27073 1 . VAL 169 169 27073 1 . CYS 170 170 27073 1 . GLU 171 171 27073 1 . LYS 172 172 27073 1 . MET 173 173 27073 1 . ALA 174 174 27073 1 . LEU 175 175 27073 1 . TYR 176 176 27073 1 . ASP 177 177 27073 1 . ILE 178 178 27073 1 . THR 179 179 27073 1 . GLN 180 180 27073 1 . LYS 181 181 27073 1 . LEU 182 182 27073 1 . PRO 183 183 27073 1 . GLN 184 184 27073 1 . ALA 185 185 27073 1 . VAL 186 186 27073 1 . MET 187 187 27073 1 . GLY 188 188 27073 1 . ALA 189 189 27073 1 . SER 190 190 27073 1 . TYR 191 191 27073 1 . GLY 192 192 27073 1 . PHE 193 193 27073 1 . GLN 194 194 27073 1 . TYR 195 195 27073 1 . SER 196 196 27073 1 . PRO 197 197 27073 1 . ALA 198 198 27073 1 . GLN 199 199 27073 1 . ARG 200 200 27073 1 . VAL 201 201 27073 1 . GLU 202 202 27073 1 . TYR 203 203 27073 1 . LEU 204 204 27073 1 . LEU 205 205 27073 1 . LYS 206 206 27073 1 . ALA 207 207 27073 1 . TRP 208 208 27073 1 . ALA 209 209 27073 1 . GLU 210 210 27073 1 . LYS 211 211 27073 1 . LYS 212 212 27073 1 . ASP 213 213 27073 1 . PRO 214 214 27073 1 . MET 215 215 27073 1 . GLY 216 216 27073 1 . PHE 217 217 27073 1 . SER 218 218 27073 1 . TYR 219 219 27073 1 . ASP 220 220 27073 1 . THR 221 221 27073 1 . ARG 222 222 27073 1 . CYS 223 223 27073 1 . PHE 224 224 27073 1 . ASP 225 225 27073 1 . SER 226 226 27073 1 . THR 227 227 27073 1 . VAL 228 228 27073 1 . THR 229 229 27073 1 . GLU 230 230 27073 1 . ARG 231 231 27073 1 . ASP 232 232 27073 1 . ILE 233 233 27073 1 . ARG 234 234 27073 1 . THR 235 235 27073 1 . GLU 236 236 27073 1 . GLU 237 237 27073 1 . SER 238 238 27073 1 . ILE 239 239 27073 1 . TYR 240 240 27073 1 . GLN 241 241 27073 1 . ALA 242 242 27073 1 . CYS 243 243 27073 1 . SER 244 244 27073 1 . LEU 245 245 27073 1 . PRO 246 246 27073 1 . GLU 247 247 27073 1 . GLU 248 248 27073 1 . ALA 249 249 27073 1 . ARG 250 250 27073 1 . THR 251 251 27073 1 . ALA 252 252 27073 1 . ILE 253 253 27073 1 . HIS 254 254 27073 1 . SER 255 255 27073 1 . LEU 256 256 27073 1 . THR 257 257 27073 1 . GLU 258 258 27073 1 . ARG 259 259 27073 1 . LEU 260 260 27073 1 . TYR 261 261 27073 1 . VAL 262 262 27073 1 . GLY 263 263 27073 1 . GLY 264 264 27073 1 . PRO 265 265 27073 1 . MET 266 266 27073 1 . PHE 267 267 27073 1 . ASN 268 268 27073 1 . SER 269 269 27073 1 . LYS 270 270 27073 1 . GLY 271 271 27073 1 . GLN 272 272 27073 1 . THR 273 273 27073 1 . CYS 274 274 27073 1 . GLY 275 275 27073 1 . TYR 276 276 27073 1 . ARG 277 277 27073 1 . ARG 278 278 27073 1 . CYS 279 279 27073 1 . ARG 280 280 27073 1 . ALA 281 281 27073 1 . SER 282 282 27073 1 . GLY 283 283 27073 1 . VAL 284 284 27073 1 . LEU 285 285 27073 1 . THR 286 286 27073 1 . THR 287 287 27073 1 . SER 288 288 27073 1 . MET 289 289 27073 1 . GLY 290 290 27073 1 . ASN 291 291 27073 1 . THR 292 292 27073 1 . ILE 293 293 27073 1 . THR 294 294 27073 1 . CYS 295 295 27073 1 . TYR 296 296 27073 1 . VAL 297 297 27073 1 . LYS 298 298 27073 1 . ALA 299 299 27073 1 . LEU 300 300 27073 1 . ALA 301 301 27073 1 . ALA 302 302 27073 1 . CYS 303 303 27073 1 . LYS 304 304 27073 1 . ALA 305 305 27073 1 . ALA 306 306 27073 1 . GLY 307 307 27073 1 . ILE 308 308 27073 1 . VAL 309 309 27073 1 . ALA 310 310 27073 1 . PRO 311 311 27073 1 . THR 312 312 27073 1 . MET 313 313 27073 1 . LEU 314 314 27073 1 . VAL 315 315 27073 1 . CYS 316 316 27073 1 . GLY 317 317 27073 1 . ASP 318 318 27073 1 . ASP 319 319 27073 1 . LEU 320 320 27073 1 . VAL 321 321 27073 1 . VAL 322 322 27073 1 . ILE 323 323 27073 1 . SER 324 324 27073 1 . GLU 325 325 27073 1 . SER 326 326 27073 1 . GLN 327 327 27073 1 . GLY 328 328 27073 1 . THR 329 329 27073 1 . GLU 330 330 27073 1 . GLU 331 331 27073 1 . ASP 332 332 27073 1 . GLU 333 333 27073 1 . ARG 334 334 27073 1 . ASN 335 335 27073 1 . LEU 336 336 27073 1 . ARG 337 337 27073 1 . ALA 338 338 27073 1 . PHE 339 339 27073 1 . THR 340 340 27073 1 . GLU 341 341 27073 1 . ALA 342 342 27073 1 . MET 343 343 27073 1 . THR 344 344 27073 1 . ARG 345 345 27073 1 . TYR 346 346 27073 1 . SER 347 347 27073 1 . ALA 348 348 27073 1 . PRO 349 349 27073 1 . PRO 350 350 27073 1 . GLY 351 351 27073 1 . ASP 352 352 27073 1 . PRO 353 353 27073 1 . PRO 354 354 27073 1 . ARG 355 355 27073 1 . PRO 356 356 27073 1 . GLU 357 357 27073 1 . TYR 358 358 27073 1 . ASP 359 359 27073 1 . LEU 360 360 27073 1 . GLU 361 361 27073 1 . LEU 362 362 27073 1 . ILE 363 363 27073 1 . THR 364 364 27073 1 . SER 365 365 27073 1 . CYS 366 366 27073 1 . SER 367 367 27073 1 . SER 368 368 27073 1 . ASN 369 369 27073 1 . VAL 370 370 27073 1 . SER 371 371 27073 1 . VAL 372 372 27073 1 . ALA 373 373 27073 1 . LEU 374 374 27073 1 . GLY 375 375 27073 1 . PRO 376 376 27073 1 . ARG 377 377 27073 1 . GLY 378 378 27073 1 . ARG 379 379 27073 1 . ARG 380 380 27073 1 . ARG 381 381 27073 1 . TYR 382 382 27073 1 . TYR 383 383 27073 1 . LEU 384 384 27073 1 . THR 385 385 27073 1 . ARG 386 386 27073 1 . ASP 387 387 27073 1 . PRO 388 388 27073 1 . THR 389 389 27073 1 . THR 390 390 27073 1 . PRO 391 391 27073 1 . LEU 392 392 27073 1 . ALA 393 393 27073 1 . ARG 394 394 27073 1 . ALA 395 395 27073 1 . ALA 396 396 27073 1 . TRP 397 397 27073 1 . GLU 398 398 27073 1 . THR 399 399 27073 1 . VAL 400 400 27073 1 . ARG 401 401 27073 1 . HIS 402 402 27073 1 . SER 403 403 27073 1 . PRO 404 404 27073 1 . ILE 405 405 27073 1 . ASN 406 406 27073 1 . SER 407 407 27073 1 . TRP 408 408 27073 1 . LEU 409 409 27073 1 . GLY 410 410 27073 1 . ASN 411 411 27073 1 . ILE 412 412 27073 1 . ILE 413 413 27073 1 . GLN 414 414 27073 1 . TYR 415 415 27073 1 . ALA 416 416 27073 1 . PRO 417 417 27073 1 . THR 418 418 27073 1 . ILE 419 419 27073 1 . TRP 420 420 27073 1 . VAL 421 421 27073 1 . ARG 422 422 27073 1 . MET 423 423 27073 1 . VAL 424 424 27073 1 . LEU 425 425 27073 1 . MET 426 426 27073 1 . THR 427 427 27073 1 . HIS 428 428 27073 1 . PHE 429 429 27073 1 . PHE 430 430 27073 1 . SER 431 431 27073 1 . ILE 432 432 27073 1 . LEU 433 433 27073 1 . MET 434 434 27073 1 . VAL 435 435 27073 1 . GLN 436 436 27073 1 . ASP 437 437 27073 1 . THR 438 438 27073 1 . LEU 439 439 27073 1 . ASP 440 440 27073 1 . GLN 441 441 27073 1 . ASN 442 442 27073 1 . LEU 443 443 27073 1 . ASN 444 444 27073 1 . PHE 445 445 27073 1 . GLU 446 446 27073 1 . MET 447 447 27073 1 . TYR 448 448 27073 1 . GLY 449 449 27073 1 . SER 450 450 27073 1 . VAL 451 451 27073 1 . TYR 452 452 27073 1 . SER 453 453 27073 1 . VAL 454 454 27073 1 . ASN 455 455 27073 1 . PRO 456 456 27073 1 . LEU 457 457 27073 1 . ASP 458 458 27073 1 . LEU 459 459 27073 1 . PRO 460 460 27073 1 . ALA 461 461 27073 1 . ILE 462 462 27073 1 . ILE 463 463 27073 1 . GLU 464 464 27073 1 . ARG 465 465 27073 1 . LEU 466 466 27073 1 . HIS 467 467 27073 1 . GLY 468 468 27073 1 . LEU 469 469 27073 1 . ASP 470 470 27073 1 . ALA 471 471 27073 1 . PHE 472 472 27073 1 . SER 473 473 27073 1 . MET 474 474 27073 1 . HIS 475 475 27073 1 . THR 476 476 27073 1 . TYR 477 477 27073 1 . SER 478 478 27073 1 . HIS 479 479 27073 1 . HIS 480 480 27073 1 . GLU 481 481 27073 1 . LEU 482 482 27073 1 . THR 483 483 27073 1 . ARG 484 484 27073 1 . VAL 485 485 27073 1 . ALA 486 486 27073 1 . SER 487 487 27073 1 . ALA 488 488 27073 1 . LEU 489 489 27073 1 . ARG 490 490 27073 1 . LYS 491 491 27073 1 . LEU 492 492 27073 1 . GLY 493 493 27073 1 . ALA 494 494 27073 1 . PRO 495 495 27073 1 . PRO 496 496 27073 1 . LEU 497 497 27073 1 . ARG 498 498 27073 1 . VAL 499 499 27073 1 . TRP 500 500 27073 1 . LYS 501 501 27073 1 . SER 502 502 27073 1 . ARG 503 503 27073 1 . ALA 504 504 27073 1 . ARG 505 505 27073 1 . ALA 506 506 27073 1 . VAL 507 507 27073 1 . ARG 508 508 27073 1 . ALA 509 509 27073 1 . SER 510 510 27073 1 . LEU 511 511 27073 1 . ILE 512 512 27073 1 . SER 513 513 27073 1 . ARG 514 514 27073 1 . GLY 515 515 27073 1 . GLY 516 516 27073 1 . LYS 517 517 27073 1 . ALA 518 518 27073 1 . ALA 519 519 27073 1 . VAL 520 520 27073 1 . CYS 521 521 27073 1 . GLY 522 522 27073 1 . ARG 523 523 27073 1 . TYR 524 524 27073 1 . LEU 525 525 27073 1 . PHE 526 526 27073 1 . ASN 527 527 27073 1 . TRP 528 528 27073 1 . ALA 529 529 27073 1 . VAL 530 530 27073 1 . LYS 531 531 27073 1 . THR 532 532 27073 1 . LYS 533 533 27073 1 . LEU 534 534 27073 1 . LYS 535 535 27073 1 . LEU 536 536 27073 1 . THR 537 537 27073 1 . PRO 538 538 27073 1 . LEU 539 539 27073 1 . PRO 540 540 27073 1 . GLU 541 541 27073 1 . ALA 542 542 27073 1 . ARG 543 543 27073 1 . LEU 544 544 27073 1 . LEU 545 545 27073 1 . ASP 546 546 27073 1 . LEU 547 547 27073 1 . SER 548 548 27073 1 . SER 549 549 27073 1 . TRP 550 550 27073 1 . PHE 551 551 27073 1 . THR 552 552 27073 1 . VAL 553 553 27073 1 . GLY 554 554 27073 1 . ALA 555 555 27073 1 . GLY 556 556 27073 1 . GLY 557 557 27073 1 . GLY 558 558 27073 1 . ASP 559 559 27073 1 . ILE 560 560 27073 1 . PHE 561 561 27073 1 . HIS 562 562 27073 1 . SER 563 563 27073 1 . VAL 564 564 27073 1 . SER 565 565 27073 1 . ARG 566 566 27073 1 . ALA 567 567 27073 1 . ARG 568 568 27073 1 . PRO 569 569 27073 1 . ARG 570 570 27073 1 . SER 571 571 27073 1 . HIS 572 572 27073 1 . HIS 573 573 27073 1 . HIS 574 574 27073 1 . HIS 575 575 27073 1 . HIS 576 576 27073 1 . HIS 577 577 27073 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 27073 _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 $HCV_polymerase_polypeptide . 11103 organism . 'Hepatitis C virus' 'Hepatitis C virus' . . Bacteria . Hepacivirus NCV JFH-1 . . . . . . . . . . . . 27073 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 27073 _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 $HCV_polymerase_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET21 . . . 27073 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27073 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 WT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 1 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 1 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 1 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 1 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27073 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I23V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 2 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 2 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 2 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 2 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27073 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I119V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 3 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 3 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 3 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 3 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 3 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27073 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I233V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 4 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 4 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 4 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 4 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 4 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 27073 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I160V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 5 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 5 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 5 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 5 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 5 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 27073 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I405V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 6 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 6 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 6 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 6 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 6 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 6 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 27073 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I412V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 7 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 7 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 7 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 7 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 7 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 7 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 27073 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I413V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 8 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 8 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 8 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 8 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 8 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 8 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 27073 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I419V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 9 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 9 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 9 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 9 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 9 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 9 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 9 stop_ save_ save_sample_14 _Sample.Sf_category sample _Sample.Sf_framecode sample_14 _Sample.Entry_ID 27073 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I432V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 10 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 10 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 10 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 10 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 10 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 10 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 10 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 27073 _Sample.ID 11 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I462V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 11 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 11 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 11 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 11 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 11 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 11 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 11 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 27073 _Sample.ID 12 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I463V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 12 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 12 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 12 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 12 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 12 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 12 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 12 stop_ save_ save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 27073 _Sample.ID 13 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I512V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 13 2 'potassium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 13 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 13 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 13 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 13 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 13 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 13 stop_ save_ save_sample_13 _Sample.Sf_category sample _Sample.Sf_framecode sample_13 _Sample.Entry_ID 27073 _Sample.ID 14 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I560V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 14 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 14 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 14 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 14 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 14 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 14 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 14 stop_ save_ save_sample_15 _Sample.Sf_category sample _Sample.Sf_framecode sample_15 _Sample.Entry_ID 27073 _Sample.ID 15 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NS5Bd21 I363V mutant' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HCV polymerase polypeptide' '[Ile-Cd1-13CH3; U-2H]' . . 1 $HCV_polymerase_polypeptide . . 70 50 90 uM . . . . 27073 15 2 'sodium phosphate' 'natural abundance' . . . . . . 300 . . mM . . . . 27073 15 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27073 15 4 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 27073 15 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27073 15 6 THP 'natural abundance' . . . . . . 4 . . mM . . . . 27073 15 7 TMSP 'natural abundance' . . . . . . 0.150 . . mM . . . . 27073 15 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 27073 _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' 350 . mM 27073 1 pH 6.8 . pH 27073 1 pressure 1 . atm 27073 1 temperature 305 . K 27073 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27073 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27073 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27073 1 processing 27073 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27073 _Software.ID 2 _Software.Name SPARKY _Software.Version NMRFAM-SPARKY _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27073 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27073 2 'data analysis' 27073 2 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 27073 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 27073 _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 . 900 . . . 27073 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 27073 _Experiment_list.ID 1 _Experiment_list.Details ; The assignment was performed using a combination of Ile to Val mutants, NOE data and chemical shift predictions. ; 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-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 2 '3D 1H-13C-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 3 '3D 1H-13C-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 4 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 5 '2D 1H-13C HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 6 '2D 1H-13C HMQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 7 '2D 1H-13C HMQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 8 '2D 1H-13C HMQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 9 '2D 1H-13C HMQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 10 '2D 1H-13C HMQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 11 '2D 1H-13C HMQC' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 12 '2D 1H-13C HMQC' no . . . . . . . . . . 11 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 13 '2D 1H-13C HMQC' no . . . . . . . . . . 12 $sample_11 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 14 '2D 1H-13C HMQC' no . . . . . . . . . . 13 $sample_12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 15 '2D 1H-13C HMQC' no . . . . . . . . . . 14 $sample_13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 16 '2D 1H-13C HMQC' no . . . . . . . . . . 10 $sample_14 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 1 17 '2D 1H-13C HMQC' no . . . . . . . . . . 15 $sample_15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27073 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 27073 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'TMSP as reference' 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 TMSPA 'methyl carbon' . . . . ppm 0 internal indirect 0.251449530 . . . . . 27073 1 H 1 TMSPA 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27073 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 27073 _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 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.071 _Assigned_chem_shift_list.Chem_shift_15N_err . _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-13C HMQC' . . . 27073 1 2 '3D 1H-13C-1H NOESY' . . . 27073 1 3 '3D 1H-13C-13C NOESY' . . . 27073 1 4 '2D 1H-13C HMQC' . . . 27073 1 5 '2D 1H-13C HMQC' . . . 27073 1 6 '2D 1H-13C HMQC' . . . 27073 1 7 '2D 1H-13C HMQC' . . . 27073 1 8 '2D 1H-13C HMQC' . . . 27073 1 9 '2D 1H-13C HMQC' . . . 27073 1 10 '2D 1H-13C HMQC' . . . 27073 1 11 '2D 1H-13C HMQC' . . . 27073 1 12 '2D 1H-13C HMQC' . . . 27073 1 13 '2D 1H-13C HMQC' . . . 27073 1 14 '2D 1H-13C HMQC' . . . 27073 1 15 '2D 1H-13C HMQC' . . . 27073 1 16 '2D 1H-13C HMQC' . . . 27073 1 17 '2D 1H-13C HMQC' . . . 27073 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.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 11 11 ILE HD11 H 1 0.663 0.007 . 1 . . . . 11 ILE HD1 . 27073 1 2 . 1 1 11 11 ILE HD12 H 1 0.663 0.007 . 1 . . . . 11 ILE HD1 . 27073 1 3 . 1 1 11 11 ILE HD13 H 1 0.663 0.007 . 1 . . . . 11 ILE HD1 . 27073 1 4 . 1 1 11 11 ILE CD1 C 13 13.974 0.071 . 1 . . . . 11 ILE CD1 . 27073 1 5 . 1 1 23 23 ILE HD11 H 1 0.723 0.007 . 1 . . . . 23 ILE HD1 . 27073 1 6 . 1 1 23 23 ILE HD12 H 1 0.723 0.007 . 1 . . . . 23 ILE HD1 . 27073 1 7 . 1 1 23 23 ILE HD13 H 1 0.723 0.007 . 1 . . . . 23 ILE HD1 . 27073 1 8 . 1 1 23 23 ILE CD1 C 13 12.881 0.071 . 1 . . . . 23 ILE CD1 . 27073 1 9 . 1 1 71 71 ILE HD11 H 1 0.864 0.007 . 5 . . . . 71 ILE HD1 . 27073 1 10 . 1 1 71 71 ILE HD12 H 1 0.864 0.007 . 5 . . . . 71 ILE HD1 . 27073 1 11 . 1 1 71 71 ILE HD13 H 1 0.864 0.007 . 5 . . . . 71 ILE HD1 . 27073 1 12 . 1 1 71 71 ILE CD1 C 13 12.456 0.071 . 5 . . . . 71 ILE CD1 . 27073 1 13 . 1 1 119 119 ILE HD11 H 1 0.842 0.007 . 1 . . . . 119 ILE HD1 . 27073 1 14 . 1 1 119 119 ILE HD12 H 1 0.842 0.007 . 1 . . . . 119 ILE HD1 . 27073 1 15 . 1 1 119 119 ILE HD13 H 1 0.842 0.007 . 1 . . . . 119 ILE HD1 . 27073 1 16 . 1 1 119 119 ILE CD1 C 13 14.593 0.071 . 1 . . . . 119 ILE CD1 . 27073 1 17 . 1 1 134 134 ILE HD11 H 1 0.623 0.007 . 1 . . . . 134 ILE HD1 . 27073 1 18 . 1 1 134 134 ILE HD12 H 1 0.623 0.007 . 1 . . . . 134 ILE HD1 . 27073 1 19 . 1 1 134 134 ILE HD13 H 1 0.623 0.007 . 1 . . . . 134 ILE HD1 . 27073 1 20 . 1 1 134 134 ILE CD1 C 13 13.420 0.071 . 1 . . . . 134 ILE CD1 . 27073 1 21 . 1 1 138 138 ILE HD11 H 1 1.025 0.007 . 1 . . . . 138 ILE HD1 . 27073 1 22 . 1 1 138 138 ILE HD12 H 1 1.025 0.007 . 1 . . . . 138 ILE HD1 . 27073 1 23 . 1 1 138 138 ILE HD13 H 1 1.025 0.007 . 1 . . . . 138 ILE HD1 . 27073 1 24 . 1 1 138 138 ILE CD1 C 13 14.241 0.071 . 1 . . . . 138 ILE CD1 . 27073 1 25 . 1 1 160 160 ILE HD11 H 1 0.807 0.007 . 1 . . . . 160 ILE HD1 . 27073 1 26 . 1 1 160 160 ILE HD12 H 1 0.807 0.007 . 1 . . . . 160 ILE HD1 . 27073 1 27 . 1 1 160 160 ILE HD13 H 1 0.807 0.007 . 1 . . . . 160 ILE HD1 . 27073 1 28 . 1 1 160 160 ILE CD1 C 13 12.342 0.071 . 1 . . . . 160 ILE CD1 . 27073 1 29 . 1 1 178 178 ILE HD11 H 1 0.785 0.007 . 5 . . . . 178 ILE HD1 . 27073 1 30 . 1 1 178 178 ILE HD12 H 1 0.785 0.007 . 5 . . . . 178 ILE HD1 . 27073 1 31 . 1 1 178 178 ILE HD13 H 1 0.785 0.007 . 5 . . . . 178 ILE HD1 . 27073 1 32 . 1 1 178 178 ILE CD1 C 13 14.435 0.071 . 5 . . . . 178 ILE CD1 . 27073 1 33 . 1 1 233 233 ILE HD11 H 1 0.650 0.007 . 1 . . . . 233 ILE HD1 . 27073 1 34 . 1 1 233 233 ILE HD12 H 1 0.650 0.007 . 1 . . . . 233 ILE HD1 . 27073 1 35 . 1 1 233 233 ILE HD13 H 1 0.650 0.007 . 1 . . . . 233 ILE HD1 . 27073 1 36 . 1 1 233 233 ILE CD1 C 13 12.516 0.071 . 1 . . . . 233 ILE CD1 . 27073 1 37 . 1 1 239 239 ILE HD11 H 1 0.607 0.007 . 1 . . . . 239 ILE HD1 . 27073 1 38 . 1 1 239 239 ILE HD12 H 1 0.607 0.007 . 1 . . . . 239 ILE HD1 . 27073 1 39 . 1 1 239 239 ILE HD13 H 1 0.607 0.007 . 1 . . . . 239 ILE HD1 . 27073 1 40 . 1 1 239 239 ILE CD1 C 13 13.406 0.071 . 1 . . . . 239 ILE CD1 . 27073 1 41 . 1 1 253 253 ILE HD11 H 1 0.880 0.007 . 5 . . . . 253 ILE HD1 . 27073 1 42 . 1 1 253 253 ILE HD12 H 1 0.880 0.007 . 5 . . . . 253 ILE HD1 . 27073 1 43 . 1 1 253 253 ILE HD13 H 1 0.880 0.007 . 5 . . . . 253 ILE HD1 . 27073 1 44 . 1 1 253 253 ILE CD1 C 13 14.310 0.071 . 5 . . . . 253 ILE CD1 . 27073 1 45 . 1 1 293 293 ILE HD11 H 1 0.768 0.007 . 5 . . . . 293 ILE HD1 . 27073 1 46 . 1 1 293 293 ILE HD12 H 1 0.768 0.007 . 5 . . . . 293 ILE HD1 . 27073 1 47 . 1 1 293 293 ILE HD13 H 1 0.768 0.007 . 5 . . . . 293 ILE HD1 . 27073 1 48 . 1 1 293 293 ILE CD1 C 13 13.550 0.071 . 5 . . . . 293 ILE CD1 . 27073 1 49 . 1 1 308 308 ILE HD11 H 1 0.691 0.007 . 1 . . . . 308 ILE HD1 . 27073 1 50 . 1 1 308 308 ILE HD12 H 1 0.691 0.007 . 1 . . . . 308 ILE HD1 . 27073 1 51 . 1 1 308 308 ILE HD13 H 1 0.691 0.007 . 1 . . . . 308 ILE HD1 . 27073 1 52 . 1 1 308 308 ILE CD1 C 13 9.913 0.071 . 1 . . . . 308 ILE CD1 . 27073 1 53 . 1 1 323 323 ILE HD11 H 1 0.893 0.007 . 1 . . . . 323 ILE HD1 . 27073 1 54 . 1 1 323 323 ILE HD12 H 1 0.893 0.007 . 1 . . . . 323 ILE HD1 . 27073 1 55 . 1 1 323 323 ILE HD13 H 1 0.893 0.007 . 1 . . . . 323 ILE HD1 . 27073 1 56 . 1 1 323 323 ILE CD1 C 13 13.510 0.071 . 1 . . . . 323 ILE CD1 . 27073 1 57 . 1 1 363 363 ILE HD11 H 1 0.599 0.007 . 1 . . . . 363 ILE HD1 . 27073 1 58 . 1 1 363 363 ILE HD12 H 1 0.599 0.007 . 1 . . . . 363 ILE HD1 . 27073 1 59 . 1 1 363 363 ILE HD13 H 1 0.599 0.007 . 1 . . . . 363 ILE HD1 . 27073 1 60 . 1 1 363 363 ILE CD1 C 13 12.816 0.071 . 1 . . . . 363 ILE CD1 . 27073 1 61 . 1 1 419 419 ILE HD11 H 1 0.600 0.007 . 1 . . . . 419 ILE HD1 . 27073 1 62 . 1 1 419 419 ILE HD12 H 1 0.600 0.007 . 1 . . . . 419 ILE HD1 . 27073 1 63 . 1 1 419 419 ILE HD13 H 1 0.600 0.007 . 1 . . . . 419 ILE HD1 . 27073 1 64 . 1 1 419 419 ILE CD1 C 13 13.858 0.071 . 1 . . . . 419 ILE CD1 . 27073 1 65 . 1 1 432 432 ILE HD11 H 1 0.458 0.007 . 1 . . . . 432 ILE HD1 . 27073 1 66 . 1 1 432 432 ILE HD12 H 1 0.458 0.007 . 1 . . . . 432 ILE HD1 . 27073 1 67 . 1 1 432 432 ILE HD13 H 1 0.458 0.007 . 1 . . . . 432 ILE HD1 . 27073 1 68 . 1 1 432 432 ILE CD1 C 13 11.788 0.071 . 1 . . . . 432 ILE CD1 . 27073 1 69 . 1 1 462 462 ILE HD11 H 1 0.844 0.007 . 1 . . . . 462 ILE HD1 . 27073 1 70 . 1 1 462 462 ILE HD12 H 1 0.844 0.007 . 1 . . . . 462 ILE HD1 . 27073 1 71 . 1 1 462 462 ILE HD13 H 1 0.844 0.007 . 1 . . . . 462 ILE HD1 . 27073 1 72 . 1 1 462 462 ILE CD1 C 13 14.451 0.071 . 1 . . . . 462 ILE CD1 . 27073 1 73 . 1 1 463 463 ILE HD11 H 1 0.802 0.007 . 1 . . . . 463 ILE HD1 . 27073 1 74 . 1 1 463 463 ILE HD12 H 1 0.802 0.007 . 1 . . . . 463 ILE HD1 . 27073 1 75 . 1 1 463 463 ILE HD13 H 1 0.802 0.007 . 1 . . . . 463 ILE HD1 . 27073 1 76 . 1 1 463 463 ILE CD1 C 13 14.642 0.071 . 1 . . . . 463 ILE CD1 . 27073 1 77 . 1 1 512 512 ILE HD11 H 1 0.697 0.007 . 1 . . . . 512 ILE HD1 . 27073 1 78 . 1 1 512 512 ILE HD12 H 1 0.697 0.007 . 1 . . . . 512 ILE HD1 . 27073 1 79 . 1 1 512 512 ILE HD13 H 1 0.697 0.007 . 1 . . . . 512 ILE HD1 . 27073 1 80 . 1 1 512 512 ILE CD1 C 13 13.523 0.071 . 1 . . . . 512 ILE CD1 . 27073 1 stop_ save_