data_30772 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30772 _Entry.Title ; Abl 1b isoform inactive2 state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-12 _Entry.Accession_date 2020-07-12 _Entry.Last_release_date 2020-07-30 _Entry.Original_release_date 2020-07-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 T. Xie T. . . . 30772 2 T. Saleh T. . . . 30772 3 P. Rossi P. . . . 30772 4 C. Kalodimos C. G. . . 30772 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ABL isoform 1b' . 30772 ONCOPROTEIN . 30772 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30772 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 139 30772 '1H chemical shifts' 414 30772 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 1 . . 2020-10-05 . original BMRB . 30772 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XRG 'BMRB Entry Tracking System' 30772 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30772 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33004676 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational states dynamically populated by a kinase determine its function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year 2020 _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 T. Xie T. . . . 30772 1 2 T. Saleh T. . . . 30772 1 3 P. Rossi P. . . . 30772 1 4 C. Kalodimos C. G. . . 30772 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30772 _Assembly.ID 1 _Assembly.Name 'Tyrosine-protein kinase ABL1 (E.C.2.7.10.2)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30772 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30772 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPNYDKWEMERTDITMKHKL GEGQYGEVYEGVWKKYSLTV AVKTLKEDTMEVEEFLKEAA VLKEIKHPNLVQLLGVCTRE PPFYIITEFMTYGNLLDYLR ECNRQEVNAVVLLYMATQIS SAMEYLEKKNFIHRDLAARN CLVGENHLVKVADFGLSRLM YGDTYTAHAGAKFPIKWTAP ESLAYNKFSIKSDVWAFGVL LWEIATYGMSPYPGIDLSQV YELLEKDYRMERPEGCPEKV YELMRACWQWNPSDRPSFAE IHQAFETMFQESSISDEVEK ELGKQGV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 287 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'G269E, M309L, T408Y' _Entity.EC_number 2.7.10.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33296.992 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Abelson murine leukemia viral oncogene homolog 1' common 30772 1 'Abelson tyrosine-protein kinase 1' common 30772 1 'Proto-oncogene c-Abl' common 30772 1 p150 common 30772 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 1 248 SER . 30772 1 2 249 PRO . 30772 1 3 250 ASN . 30772 1 4 251 TYR . 30772 1 5 252 ASP . 30772 1 6 253 LYS . 30772 1 7 254 TRP . 30772 1 8 255 GLU . 30772 1 9 256 MET . 30772 1 10 257 GLU . 30772 1 11 258 ARG . 30772 1 12 259 THR . 30772 1 13 260 ASP . 30772 1 14 261 ILE . 30772 1 15 262 THR . 30772 1 16 263 MET . 30772 1 17 264 LYS . 30772 1 18 265 HIS . 30772 1 19 266 LYS . 30772 1 20 267 LEU . 30772 1 21 268 GLY . 30772 1 22 269 GLU . 30772 1 23 270 GLY . 30772 1 24 271 GLN . 30772 1 25 272 TYR . 30772 1 26 273 GLY . 30772 1 27 274 GLU . 30772 1 28 275 VAL . 30772 1 29 276 TYR . 30772 1 30 277 GLU . 30772 1 31 278 GLY . 30772 1 32 279 VAL . 30772 1 33 280 TRP . 30772 1 34 281 LYS . 30772 1 35 282 LYS . 30772 1 36 283 TYR . 30772 1 37 284 SER . 30772 1 38 285 LEU . 30772 1 39 286 THR . 30772 1 40 287 VAL . 30772 1 41 288 ALA . 30772 1 42 289 VAL . 30772 1 43 290 LYS . 30772 1 44 291 THR . 30772 1 45 292 LEU . 30772 1 46 293 LYS . 30772 1 47 294 GLU . 30772 1 48 295 ASP . 30772 1 49 296 THR . 30772 1 50 297 MET . 30772 1 51 298 GLU . 30772 1 52 299 VAL . 30772 1 53 300 GLU . 30772 1 54 301 GLU . 30772 1 55 302 PHE . 30772 1 56 303 LEU . 30772 1 57 304 LYS . 30772 1 58 305 GLU . 30772 1 59 306 ALA . 30772 1 60 307 ALA . 30772 1 61 308 VAL . 30772 1 62 309 LEU . 30772 1 63 310 LYS . 30772 1 64 311 GLU . 30772 1 65 312 ILE . 30772 1 66 313 LYS . 30772 1 67 314 HIS . 30772 1 68 315 PRO . 30772 1 69 316 ASN . 30772 1 70 317 LEU . 30772 1 71 318 VAL . 30772 1 72 319 GLN . 30772 1 73 320 LEU . 30772 1 74 321 LEU . 30772 1 75 322 GLY . 30772 1 76 323 VAL . 30772 1 77 324 CYS . 30772 1 78 325 THR . 30772 1 79 326 ARG . 30772 1 80 327 GLU . 30772 1 81 328 PRO . 30772 1 82 329 PRO . 30772 1 83 330 PHE . 30772 1 84 331 TYR . 30772 1 85 332 ILE . 30772 1 86 333 ILE . 30772 1 87 334 THR . 30772 1 88 335 GLU . 30772 1 89 336 PHE . 30772 1 90 337 MET . 30772 1 91 338 THR . 30772 1 92 339 TYR . 30772 1 93 340 GLY . 30772 1 94 341 ASN . 30772 1 95 342 LEU . 30772 1 96 343 LEU . 30772 1 97 344 ASP . 30772 1 98 345 TYR . 30772 1 99 346 LEU . 30772 1 100 347 ARG . 30772 1 101 348 GLU . 30772 1 102 349 CYS . 30772 1 103 350 ASN . 30772 1 104 351 ARG . 30772 1 105 352 GLN . 30772 1 106 353 GLU . 30772 1 107 354 VAL . 30772 1 108 355 ASN . 30772 1 109 356 ALA . 30772 1 110 357 VAL . 30772 1 111 358 VAL . 30772 1 112 359 LEU . 30772 1 113 360 LEU . 30772 1 114 361 TYR . 30772 1 115 362 MET . 30772 1 116 363 ALA . 30772 1 117 364 THR . 30772 1 118 365 GLN . 30772 1 119 366 ILE . 30772 1 120 367 SER . 30772 1 121 368 SER . 30772 1 122 369 ALA . 30772 1 123 370 MET . 30772 1 124 371 GLU . 30772 1 125 372 TYR . 30772 1 126 373 LEU . 30772 1 127 374 GLU . 30772 1 128 375 LYS . 30772 1 129 376 LYS . 30772 1 130 377 ASN . 30772 1 131 378 PHE . 30772 1 132 379 ILE . 30772 1 133 380 HIS . 30772 1 134 381 ARG . 30772 1 135 382 ASP . 30772 1 136 383 LEU . 30772 1 137 384 ALA . 30772 1 138 385 ALA . 30772 1 139 386 ARG . 30772 1 140 387 ASN . 30772 1 141 388 CYS . 30772 1 142 389 LEU . 30772 1 143 390 VAL . 30772 1 144 391 GLY . 30772 1 145 392 GLU . 30772 1 146 393 ASN . 30772 1 147 394 HIS . 30772 1 148 395 LEU . 30772 1 149 396 VAL . 30772 1 150 397 LYS . 30772 1 151 398 VAL . 30772 1 152 399 ALA . 30772 1 153 400 ASP . 30772 1 154 401 PHE . 30772 1 155 402 GLY . 30772 1 156 403 LEU . 30772 1 157 404 SER . 30772 1 158 405 ARG . 30772 1 159 406 LEU . 30772 1 160 407 MET . 30772 1 161 408 TYR . 30772 1 162 409 GLY . 30772 1 163 410 ASP . 30772 1 164 411 THR . 30772 1 165 412 TYR . 30772 1 166 413 THR . 30772 1 167 414 ALA . 30772 1 168 415 HIS . 30772 1 169 416 ALA . 30772 1 170 417 GLY . 30772 1 171 418 ALA . 30772 1 172 419 LYS . 30772 1 173 420 PHE . 30772 1 174 421 PRO . 30772 1 175 422 ILE . 30772 1 176 423 LYS . 30772 1 177 424 TRP . 30772 1 178 425 THR . 30772 1 179 426 ALA . 30772 1 180 427 PRO . 30772 1 181 428 GLU . 30772 1 182 429 SER . 30772 1 183 430 LEU . 30772 1 184 431 ALA . 30772 1 185 432 TYR . 30772 1 186 433 ASN . 30772 1 187 434 LYS . 30772 1 188 435 PHE . 30772 1 189 436 SER . 30772 1 190 437 ILE . 30772 1 191 438 LYS . 30772 1 192 439 SER . 30772 1 193 440 ASP . 30772 1 194 441 VAL . 30772 1 195 442 TRP . 30772 1 196 443 ALA . 30772 1 197 444 PHE . 30772 1 198 445 GLY . 30772 1 199 446 VAL . 30772 1 200 447 LEU . 30772 1 201 448 LEU . 30772 1 202 449 TRP . 30772 1 203 450 GLU . 30772 1 204 451 ILE . 30772 1 205 452 ALA . 30772 1 206 453 THR . 30772 1 207 454 TYR . 30772 1 208 455 GLY . 30772 1 209 456 MET . 30772 1 210 457 SER . 30772 1 211 458 PRO . 30772 1 212 459 TYR . 30772 1 213 460 PRO . 30772 1 214 461 GLY . 30772 1 215 462 ILE . 30772 1 216 463 ASP . 30772 1 217 464 LEU . 30772 1 218 465 SER . 30772 1 219 466 GLN . 30772 1 220 467 VAL . 30772 1 221 468 TYR . 30772 1 222 469 GLU . 30772 1 223 470 LEU . 30772 1 224 471 LEU . 30772 1 225 472 GLU . 30772 1 226 473 LYS . 30772 1 227 474 ASP . 30772 1 228 475 TYR . 30772 1 229 476 ARG . 30772 1 230 477 MET . 30772 1 231 478 GLU . 30772 1 232 479 ARG . 30772 1 233 480 PRO . 30772 1 234 481 GLU . 30772 1 235 482 GLY . 30772 1 236 483 CYS . 30772 1 237 484 PRO . 30772 1 238 485 GLU . 30772 1 239 486 LYS . 30772 1 240 487 VAL . 30772 1 241 488 TYR . 30772 1 242 489 GLU . 30772 1 243 490 LEU . 30772 1 244 491 MET . 30772 1 245 492 ARG . 30772 1 246 493 ALA . 30772 1 247 494 CYS . 30772 1 248 495 TRP . 30772 1 249 496 GLN . 30772 1 250 497 TRP . 30772 1 251 498 ASN . 30772 1 252 499 PRO . 30772 1 253 500 SER . 30772 1 254 501 ASP . 30772 1 255 502 ARG . 30772 1 256 503 PRO . 30772 1 257 504 SER . 30772 1 258 505 PHE . 30772 1 259 506 ALA . 30772 1 260 507 GLU . 30772 1 261 508 ILE . 30772 1 262 509 HIS . 30772 1 263 510 GLN . 30772 1 264 511 ALA . 30772 1 265 512 PHE . 30772 1 266 513 GLU . 30772 1 267 514 THR . 30772 1 268 515 MET . 30772 1 269 516 PHE . 30772 1 270 517 GLN . 30772 1 271 518 GLU . 30772 1 272 519 SER . 30772 1 273 520 SER . 30772 1 274 521 ILE . 30772 1 275 522 SER . 30772 1 276 523 ASP . 30772 1 277 524 GLU . 30772 1 278 525 VAL . 30772 1 279 526 GLU . 30772 1 280 527 LYS . 30772 1 281 528 GLU . 30772 1 282 529 LEU . 30772 1 283 530 GLY . 30772 1 284 531 LYS . 30772 1 285 532 GLN . 30772 1 286 533 GLY . 30772 1 287 534 VAL . 30772 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 30772 1 . PRO 2 2 30772 1 . ASN 3 3 30772 1 . TYR 4 4 30772 1 . ASP 5 5 30772 1 . LYS 6 6 30772 1 . TRP 7 7 30772 1 . GLU 8 8 30772 1 . MET 9 9 30772 1 . GLU 10 10 30772 1 . ARG 11 11 30772 1 . THR 12 12 30772 1 . ASP 13 13 30772 1 . ILE 14 14 30772 1 . THR 15 15 30772 1 . MET 16 16 30772 1 . LYS 17 17 30772 1 . HIS 18 18 30772 1 . LYS 19 19 30772 1 . LEU 20 20 30772 1 . GLY 21 21 30772 1 . GLU 22 22 30772 1 . GLY 23 23 30772 1 . GLN 24 24 30772 1 . TYR 25 25 30772 1 . GLY 26 26 30772 1 . GLU 27 27 30772 1 . VAL 28 28 30772 1 . TYR 29 29 30772 1 . GLU 30 30 30772 1 . GLY 31 31 30772 1 . VAL 32 32 30772 1 . TRP 33 33 30772 1 . LYS 34 34 30772 1 . LYS 35 35 30772 1 . TYR 36 36 30772 1 . SER 37 37 30772 1 . LEU 38 38 30772 1 . THR 39 39 30772 1 . VAL 40 40 30772 1 . ALA 41 41 30772 1 . VAL 42 42 30772 1 . LYS 43 43 30772 1 . THR 44 44 30772 1 . LEU 45 45 30772 1 . LYS 46 46 30772 1 . GLU 47 47 30772 1 . ASP 48 48 30772 1 . THR 49 49 30772 1 . MET 50 50 30772 1 . GLU 51 51 30772 1 . VAL 52 52 30772 1 . GLU 53 53 30772 1 . GLU 54 54 30772 1 . PHE 55 55 30772 1 . LEU 56 56 30772 1 . LYS 57 57 30772 1 . GLU 58 58 30772 1 . ALA 59 59 30772 1 . ALA 60 60 30772 1 . VAL 61 61 30772 1 . LEU 62 62 30772 1 . LYS 63 63 30772 1 . GLU 64 64 30772 1 . ILE 65 65 30772 1 . LYS 66 66 30772 1 . HIS 67 67 30772 1 . PRO 68 68 30772 1 . ASN 69 69 30772 1 . LEU 70 70 30772 1 . VAL 71 71 30772 1 . GLN 72 72 30772 1 . LEU 73 73 30772 1 . LEU 74 74 30772 1 . GLY 75 75 30772 1 . VAL 76 76 30772 1 . CYS 77 77 30772 1 . THR 78 78 30772 1 . ARG 79 79 30772 1 . GLU 80 80 30772 1 . PRO 81 81 30772 1 . PRO 82 82 30772 1 . PHE 83 83 30772 1 . TYR 84 84 30772 1 . ILE 85 85 30772 1 . ILE 86 86 30772 1 . THR 87 87 30772 1 . GLU 88 88 30772 1 . PHE 89 89 30772 1 . MET 90 90 30772 1 . THR 91 91 30772 1 . TYR 92 92 30772 1 . GLY 93 93 30772 1 . ASN 94 94 30772 1 . LEU 95 95 30772 1 . LEU 96 96 30772 1 . ASP 97 97 30772 1 . TYR 98 98 30772 1 . LEU 99 99 30772 1 . ARG 100 100 30772 1 . GLU 101 101 30772 1 . CYS 102 102 30772 1 . ASN 103 103 30772 1 . ARG 104 104 30772 1 . GLN 105 105 30772 1 . GLU 106 106 30772 1 . VAL 107 107 30772 1 . ASN 108 108 30772 1 . ALA 109 109 30772 1 . VAL 110 110 30772 1 . VAL 111 111 30772 1 . LEU 112 112 30772 1 . LEU 113 113 30772 1 . TYR 114 114 30772 1 . MET 115 115 30772 1 . ALA 116 116 30772 1 . THR 117 117 30772 1 . GLN 118 118 30772 1 . ILE 119 119 30772 1 . SER 120 120 30772 1 . SER 121 121 30772 1 . ALA 122 122 30772 1 . MET 123 123 30772 1 . GLU 124 124 30772 1 . TYR 125 125 30772 1 . LEU 126 126 30772 1 . GLU 127 127 30772 1 . LYS 128 128 30772 1 . LYS 129 129 30772 1 . ASN 130 130 30772 1 . PHE 131 131 30772 1 . ILE 132 132 30772 1 . HIS 133 133 30772 1 . ARG 134 134 30772 1 . ASP 135 135 30772 1 . LEU 136 136 30772 1 . ALA 137 137 30772 1 . ALA 138 138 30772 1 . ARG 139 139 30772 1 . ASN 140 140 30772 1 . CYS 141 141 30772 1 . LEU 142 142 30772 1 . VAL 143 143 30772 1 . GLY 144 144 30772 1 . GLU 145 145 30772 1 . ASN 146 146 30772 1 . HIS 147 147 30772 1 . LEU 148 148 30772 1 . VAL 149 149 30772 1 . LYS 150 150 30772 1 . VAL 151 151 30772 1 . ALA 152 152 30772 1 . ASP 153 153 30772 1 . PHE 154 154 30772 1 . GLY 155 155 30772 1 . LEU 156 156 30772 1 . SER 157 157 30772 1 . ARG 158 158 30772 1 . LEU 159 159 30772 1 . MET 160 160 30772 1 . TYR 161 161 30772 1 . GLY 162 162 30772 1 . ASP 163 163 30772 1 . THR 164 164 30772 1 . TYR 165 165 30772 1 . THR 166 166 30772 1 . ALA 167 167 30772 1 . HIS 168 168 30772 1 . ALA 169 169 30772 1 . GLY 170 170 30772 1 . ALA 171 171 30772 1 . LYS 172 172 30772 1 . PHE 173 173 30772 1 . PRO 174 174 30772 1 . ILE 175 175 30772 1 . LYS 176 176 30772 1 . TRP 177 177 30772 1 . THR 178 178 30772 1 . ALA 179 179 30772 1 . PRO 180 180 30772 1 . GLU 181 181 30772 1 . SER 182 182 30772 1 . LEU 183 183 30772 1 . ALA 184 184 30772 1 . TYR 185 185 30772 1 . ASN 186 186 30772 1 . LYS 187 187 30772 1 . PHE 188 188 30772 1 . SER 189 189 30772 1 . ILE 190 190 30772 1 . LYS 191 191 30772 1 . SER 192 192 30772 1 . ASP 193 193 30772 1 . VAL 194 194 30772 1 . TRP 195 195 30772 1 . ALA 196 196 30772 1 . PHE 197 197 30772 1 . GLY 198 198 30772 1 . VAL 199 199 30772 1 . LEU 200 200 30772 1 . LEU 201 201 30772 1 . TRP 202 202 30772 1 . GLU 203 203 30772 1 . ILE 204 204 30772 1 . ALA 205 205 30772 1 . THR 206 206 30772 1 . TYR 207 207 30772 1 . GLY 208 208 30772 1 . MET 209 209 30772 1 . SER 210 210 30772 1 . PRO 211 211 30772 1 . TYR 212 212 30772 1 . PRO 213 213 30772 1 . GLY 214 214 30772 1 . ILE 215 215 30772 1 . ASP 216 216 30772 1 . LEU 217 217 30772 1 . SER 218 218 30772 1 . GLN 219 219 30772 1 . VAL 220 220 30772 1 . TYR 221 221 30772 1 . GLU 222 222 30772 1 . LEU 223 223 30772 1 . LEU 224 224 30772 1 . GLU 225 225 30772 1 . LYS 226 226 30772 1 . ASP 227 227 30772 1 . TYR 228 228 30772 1 . ARG 229 229 30772 1 . MET 230 230 30772 1 . GLU 231 231 30772 1 . ARG 232 232 30772 1 . PRO 233 233 30772 1 . GLU 234 234 30772 1 . GLY 235 235 30772 1 . CYS 236 236 30772 1 . PRO 237 237 30772 1 . GLU 238 238 30772 1 . LYS 239 239 30772 1 . VAL 240 240 30772 1 . TYR 241 241 30772 1 . GLU 242 242 30772 1 . LEU 243 243 30772 1 . MET 244 244 30772 1 . ARG 245 245 30772 1 . ALA 246 246 30772 1 . CYS 247 247 30772 1 . TRP 248 248 30772 1 . GLN 249 249 30772 1 . TRP 250 250 30772 1 . ASN 251 251 30772 1 . PRO 252 252 30772 1 . SER 253 253 30772 1 . ASP 254 254 30772 1 . ARG 255 255 30772 1 . PRO 256 256 30772 1 . SER 257 257 30772 1 . PHE 258 258 30772 1 . ALA 259 259 30772 1 . GLU 260 260 30772 1 . ILE 261 261 30772 1 . HIS 262 262 30772 1 . GLN 263 263 30772 1 . ALA 264 264 30772 1 . PHE 265 265 30772 1 . GLU 266 266 30772 1 . THR 267 267 30772 1 . MET 268 268 30772 1 . PHE 269 269 30772 1 . GLN 270 270 30772 1 . GLU 271 271 30772 1 . SER 272 272 30772 1 . SER 273 273 30772 1 . ILE 274 274 30772 1 . SER 275 275 30772 1 . ASP 276 276 30772 1 . GLU 277 277 30772 1 . VAL 278 278 30772 1 . GLU 279 279 30772 1 . LYS 280 280 30772 1 . GLU 281 281 30772 1 . LEU 282 282 30772 1 . GLY 283 283 30772 1 . LYS 284 284 30772 1 . GLN 285 285 30772 1 . GLY 286 286 30772 1 . VAL 287 287 30772 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 30772 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'ABL1, ABL, JTK7' . 30772 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 30772 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30772 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30772 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 250 uM [U-100% 13C; U-100% 15N; U-100% 2H] Abl 1b G269E/M309L/T408Y variant, 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM beta-mercaptoethanol, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Abl 1b G269E/M309L/T408Y variant' '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $entity_1 . . 250 . . uM . . . . 30772 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30772 1 3 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30772 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2.5 . . mM . . . . 30772 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30772 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 250 uM N-ILVMAT-FY Abl 1b G269E/M309L/T408Y variant, 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM beta-mercaptoethanol, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Abl 1b G269E/M309L/T408Y variant' N-ILVMAT-FY . . 1 $entity_1 . . 250 . . uM . . . . 30772 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30772 2 3 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30772 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2.5 . . mM . . . . 30772 2 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 30772 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 30772 1 pH 7.7 . pH 30772 1 pressure 1 . atm 30772 1 temperature 283 . K 30772 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30772 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30772 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30772 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30772 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30772 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30772 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30772 _Software.ID 3 _Software.Type . _Software.Name I-PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Bahrami, Dashti, Eghbalnia, Tonelli, Westler and Markley' . . 30772 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30772 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30772 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30772 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30772 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30772 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30772 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30772 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30772 _Software.ID 6 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30772 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30772 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30772 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30772 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30772 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30772 _Software.ID 8 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30772 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30772 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30772 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1100 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30772 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 30772 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 1100 . . . 30772 1 2 NMR_spectrometer_2 Bruker AVANCE . 850 . . . 30772 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 30772 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30772 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30772 1 3 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30772 1 4 '3D CaCmHm_sofastNOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30772 1 5 '3D CCH NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30772 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30772 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30772 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30772 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30772 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30772 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30772 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30772 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30772 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _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 HSQC aromatic' . . . 30772 1 2 '2D 1H-13C HMQC' . . . 30772 1 3 '2D 1H-15N TROSY' . . . 30772 1 4 '3D CaCmHm_sofastNOESY' . . . 30772 1 5 '3D CCH NOESY' . . . 30772 1 6 '3D 1H-13C NOESY aromatic' . . . 30772 1 7 '3D 1H-13C NOESY aliphatic' . . . 30772 1 8 '3D 1H-15N NOESY' . . . 30772 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 9 9 MET HE1 H 1 0.666 0.00 . . . . . . A 256 MET HE1 . 30772 1 2 . 1 . 1 9 9 MET HE2 H 1 0.666 0.00 . . . . . . A 256 MET HE2 . 30772 1 3 . 1 . 1 9 9 MET HE3 H 1 0.666 0.00 . . . . . . A 256 MET HE3 . 30772 1 4 . 1 . 1 9 9 MET CE C 13 15.493 0.00 . . . . . . A 256 MET CE . 30772 1 5 . 1 . 1 12 12 THR HG21 H 1 1.220 0.00 . . . . . . A 259 THR HG21 . 30772 1 6 . 1 . 1 12 12 THR HG22 H 1 1.220 0.00 . . . . . . A 259 THR HG22 . 30772 1 7 . 1 . 1 12 12 THR HG23 H 1 1.220 0.00 . . . . . . A 259 THR HG23 . 30772 1 8 . 1 . 1 12 12 THR CG2 C 13 21.724 0.00 . . . . . . A 259 THR CG2 . 30772 1 9 . 1 . 1 14 14 ILE HD11 H 1 0.433 0.00 . . . . . . A 261 ILE HD11 . 30772 1 10 . 1 . 1 14 14 ILE HD12 H 1 0.433 0.00 . . . . . . A 261 ILE HD12 . 30772 1 11 . 1 . 1 14 14 ILE HD13 H 1 0.433 0.00 . . . . . . A 261 ILE HD13 . 30772 1 12 . 1 . 1 14 14 ILE CD1 C 13 11.474 0.00 . . . . . . A 261 ILE CD1 . 30772 1 13 . 1 . 1 15 15 THR HG21 H 1 1.069 0.00 . . . . . . A 262 THR HG21 . 30772 1 14 . 1 . 1 15 15 THR HG22 H 1 1.069 0.00 . . . . . . A 262 THR HG22 . 30772 1 15 . 1 . 1 15 15 THR HG23 H 1 1.069 0.00 . . . . . . A 262 THR HG23 . 30772 1 16 . 1 . 1 15 15 THR CG2 C 13 21.872 0.00 . . . . . . A 262 THR CG2 . 30772 1 17 . 1 . 1 16 16 MET HE1 H 1 1.053 0.00 . . . . . . A 263 MET HE1 . 30772 1 18 . 1 . 1 16 16 MET HE2 H 1 1.053 0.00 . . . . . . A 263 MET HE2 . 30772 1 19 . 1 . 1 16 16 MET HE3 H 1 1.053 0.00 . . . . . . A 263 MET HE3 . 30772 1 20 . 1 . 1 16 16 MET CE C 13 16.934 0.00 . . . . . . A 263 MET CE . 30772 1 21 . 1 . 1 20 20 LEU HD11 H 1 0.883 0.00 . . . . . . A 267 LEU HD11 . 30772 1 22 . 1 . 1 20 20 LEU HD12 H 1 0.883 0.00 . . . . . . A 267 LEU HD12 . 30772 1 23 . 1 . 1 20 20 LEU HD13 H 1 0.883 0.00 . . . . . . A 267 LEU HD13 . 30772 1 24 . 1 . 1 20 20 LEU HD21 H 1 0.983 0.00 . . . . . . A 267 LEU HD21 . 30772 1 25 . 1 . 1 20 20 LEU HD22 H 1 0.983 0.00 . . . . . . A 267 LEU HD22 . 30772 1 26 . 1 . 1 20 20 LEU HD23 H 1 0.983 0.00 . . . . . . A 267 LEU HD23 . 30772 1 27 . 1 . 1 20 20 LEU CD1 C 13 25.335 0.00 . . . . . . A 267 LEU CD1 . 30772 1 28 . 1 . 1 20 20 LEU CD2 C 13 22.765 0.00 . . . . . . A 267 LEU CD2 . 30772 1 29 . 1 . 1 25 25 TYR HD1 H 1 6.557 0.00 . . . . . . A 272 TYR HD1 . 30772 1 30 . 1 . 1 25 25 TYR HD2 H 1 6.557 0.00 . . . . . . A 272 TYR HD2 . 30772 1 31 . 1 . 1 25 25 TYR HE1 H 1 6.357 0.00 . . . . . . A 272 TYR HE1 . 30772 1 32 . 1 . 1 25 25 TYR HE2 H 1 6.357 0.00 . . . . . . A 272 TYR HE2 . 30772 1 33 . 1 . 1 32 32 VAL HG11 H 1 0.771 0.00 . . . . . . A 279 VAL HG11 . 30772 1 34 . 1 . 1 32 32 VAL HG12 H 1 0.771 0.00 . . . . . . A 279 VAL HG12 . 30772 1 35 . 1 . 1 32 32 VAL HG13 H 1 0.771 0.00 . . . . . . A 279 VAL HG13 . 30772 1 36 . 1 . 1 32 32 VAL HG21 H 1 0.633 0.00 . . . . . . A 279 VAL HG21 . 30772 1 37 . 1 . 1 32 32 VAL HG22 H 1 0.633 0.00 . . . . . . A 279 VAL HG22 . 30772 1 38 . 1 . 1 32 32 VAL HG23 H 1 0.633 0.00 . . . . . . A 279 VAL HG23 . 30772 1 39 . 1 . 1 32 32 VAL CG1 C 13 21.397 0.00 . . . . . . A 279 VAL CG1 . 30772 1 40 . 1 . 1 32 32 VAL CG2 C 13 20.403 0.00 . . . . . . A 279 VAL CG2 . 30772 1 41 . 1 . 1 33 33 TRP HE1 H 1 10.620 0.00 . . . . . . A 280 TRP HE1 . 30772 1 42 . 1 . 1 36 36 TYR HD1 H 1 6.679 0.00 . . . . . . A 283 TYR HD1 . 30772 1 43 . 1 . 1 36 36 TYR HD2 H 1 6.679 0.00 . . . . . . A 283 TYR HD2 . 30772 1 44 . 1 . 1 36 36 TYR HE1 H 1 6.314 0.00 . . . . . . A 283 TYR HE1 . 30772 1 45 . 1 . 1 36 36 TYR HE2 H 1 6.314 0.00 . . . . . . A 283 TYR HE2 . 30772 1 46 . 1 . 1 38 38 LEU HD11 H 1 0.901 0.00 . . . . . . A 285 LEU HD11 . 30772 1 47 . 1 . 1 38 38 LEU HD12 H 1 0.901 0.00 . . . . . . A 285 LEU HD12 . 30772 1 48 . 1 . 1 38 38 LEU HD13 H 1 0.901 0.00 . . . . . . A 285 LEU HD13 . 30772 1 49 . 1 . 1 38 38 LEU HD21 H 1 0.983 0.00 . . . . . . A 285 LEU HD21 . 30772 1 50 . 1 . 1 38 38 LEU HD22 H 1 0.983 0.00 . . . . . . A 285 LEU HD22 . 30772 1 51 . 1 . 1 38 38 LEU HD23 H 1 0.983 0.00 . . . . . . A 285 LEU HD23 . 30772 1 52 . 1 . 1 38 38 LEU CD1 C 13 25.708 0.00 . . . . . . A 285 LEU CD1 . 30772 1 53 . 1 . 1 38 38 LEU CD2 C 13 23.204 0.00 . . . . . . A 285 LEU CD2 . 30772 1 54 . 1 . 1 39 39 THR HG21 H 1 0.624 0.00 . . . . . . A 286 THR HG21 . 30772 1 55 . 1 . 1 39 39 THR HG22 H 1 0.624 0.00 . . . . . . A 286 THR HG22 . 30772 1 56 . 1 . 1 39 39 THR HG23 H 1 0.624 0.00 . . . . . . A 286 THR HG23 . 30772 1 57 . 1 . 1 39 39 THR CG2 C 13 21.643 0.00 . . . . . . A 286 THR CG2 . 30772 1 58 . 1 . 1 40 40 VAL HG11 H 1 0.847 0.00 . . . . . . A 287 VAL HG11 . 30772 1 59 . 1 . 1 40 40 VAL HG12 H 1 0.847 0.00 . . . . . . A 287 VAL HG12 . 30772 1 60 . 1 . 1 40 40 VAL HG13 H 1 0.847 0.00 . . . . . . A 287 VAL HG13 . 30772 1 61 . 1 . 1 40 40 VAL HG21 H 1 0.352 0.00 . . . . . . A 287 VAL HG21 . 30772 1 62 . 1 . 1 40 40 VAL HG22 H 1 0.352 0.00 . . . . . . A 287 VAL HG22 . 30772 1 63 . 1 . 1 40 40 VAL HG23 H 1 0.352 0.00 . . . . . . A 287 VAL HG23 . 30772 1 64 . 1 . 1 40 40 VAL CG1 C 13 23.075 0.00 . . . . . . A 287 VAL CG1 . 30772 1 65 . 1 . 1 40 40 VAL CG2 C 13 17.157 0.00 . . . . . . A 287 VAL CG2 . 30772 1 66 . 1 . 1 41 41 ALA HB1 H 1 1.245 0.00 . . . . . . A 288 ALA HB1 . 30772 1 67 . 1 . 1 41 41 ALA HB2 H 1 1.245 0.00 . . . . . . A 288 ALA HB2 . 30772 1 68 . 1 . 1 41 41 ALA HB3 H 1 1.245 0.00 . . . . . . A 288 ALA HB3 . 30772 1 69 . 1 . 1 41 41 ALA CB C 13 20.287 0.00 . . . . . . A 288 ALA CB . 30772 1 70 . 1 . 1 42 42 VAL HG11 H 1 0.006 0.00 . . . . . . A 289 VAL HG11 . 30772 1 71 . 1 . 1 42 42 VAL HG12 H 1 0.006 0.00 . . . . . . A 289 VAL HG12 . 30772 1 72 . 1 . 1 42 42 VAL HG13 H 1 0.006 0.00 . . . . . . A 289 VAL HG13 . 30772 1 73 . 1 . 1 42 42 VAL HG21 H 1 0.460 0.00 . . . . . . A 289 VAL HG21 . 30772 1 74 . 1 . 1 42 42 VAL HG22 H 1 0.460 0.00 . . . . . . A 289 VAL HG22 . 30772 1 75 . 1 . 1 42 42 VAL HG23 H 1 0.460 0.00 . . . . . . A 289 VAL HG23 . 30772 1 76 . 1 . 1 42 42 VAL CG1 C 13 20.662 0.00 . . . . . . A 289 VAL CG1 . 30772 1 77 . 1 . 1 42 42 VAL CG2 C 13 20.159 0.00 . . . . . . A 289 VAL CG2 . 30772 1 78 . 1 . 1 50 50 MET HE1 H 1 2.002 0.00 . . . . . . A 297 MET HE1 . 30772 1 79 . 1 . 1 50 50 MET HE2 H 1 2.002 0.00 . . . . . . A 297 MET HE2 . 30772 1 80 . 1 . 1 50 50 MET HE3 H 1 2.002 0.00 . . . . . . A 297 MET HE3 . 30772 1 81 . 1 . 1 50 50 MET CE C 13 16.720 0.00 . . . . . . A 297 MET CE . 30772 1 82 . 1 . 1 56 56 LEU HD11 H 1 0.903 0.00 . . . . . . A 303 LEU HD11 . 30772 1 83 . 1 . 1 56 56 LEU HD12 H 1 0.903 0.00 . . . . . . A 303 LEU HD12 . 30772 1 84 . 1 . 1 56 56 LEU HD13 H 1 0.903 0.00 . . . . . . A 303 LEU HD13 . 30772 1 85 . 1 . 1 56 56 LEU CD1 C 13 25.699 0.00 . . . . . . A 303 LEU CD1 . 30772 1 86 . 1 . 1 59 59 ALA HB1 H 1 1.055 0.00 . . . . . . A 306 ALA HB1 . 30772 1 87 . 1 . 1 59 59 ALA HB2 H 1 1.055 0.00 . . . . . . A 306 ALA HB2 . 30772 1 88 . 1 . 1 59 59 ALA HB3 H 1 1.055 0.00 . . . . . . A 306 ALA HB3 . 30772 1 89 . 1 . 1 59 59 ALA CB C 13 17.499 0.00 . . . . . . A 306 ALA CB . 30772 1 90 . 1 . 1 60 60 ALA HB1 H 1 1.439 0.00 . . . . . . A 307 ALA HB1 . 30772 1 91 . 1 . 1 60 60 ALA HB2 H 1 1.439 0.00 . . . . . . A 307 ALA HB2 . 30772 1 92 . 1 . 1 60 60 ALA HB3 H 1 1.439 0.00 . . . . . . A 307 ALA HB3 . 30772 1 93 . 1 . 1 60 60 ALA CB C 13 17.797 0.00 . . . . . . A 307 ALA CB . 30772 1 94 . 1 . 1 65 65 ILE HD11 H 1 0.404 0.00 . . . . . . A 312 ILE HD11 . 30772 1 95 . 1 . 1 65 65 ILE HD12 H 1 0.404 0.00 . . . . . . A 312 ILE HD12 . 30772 1 96 . 1 . 1 65 65 ILE HD13 H 1 0.404 0.00 . . . . . . A 312 ILE HD13 . 30772 1 97 . 1 . 1 65 65 ILE CD1 C 13 11.370 0.00 . . . . . . A 312 ILE CD1 . 30772 1 98 . 1 . 1 70 70 LEU HD11 H 1 0.469 0.00 . . . . . . A 317 LEU HD11 . 30772 1 99 . 1 . 1 70 70 LEU HD12 H 1 0.469 0.00 . . . . . . A 317 LEU HD12 . 30772 1 100 . 1 . 1 70 70 LEU HD13 H 1 0.469 0.00 . . . . . . A 317 LEU HD13 . 30772 1 101 . 1 . 1 70 70 LEU HD21 H 1 0.684 0.00 . . . . . . A 317 LEU HD21 . 30772 1 102 . 1 . 1 70 70 LEU HD22 H 1 0.684 0.00 . . . . . . A 317 LEU HD22 . 30772 1 103 . 1 . 1 70 70 LEU HD23 H 1 0.684 0.00 . . . . . . A 317 LEU HD23 . 30772 1 104 . 1 . 1 70 70 LEU CD1 C 13 26.228 0.00 . . . . . . A 317 LEU CD1 . 30772 1 105 . 1 . 1 70 70 LEU CD2 C 13 24.296 0.00 . . . . . . A 317 LEU CD2 . 30772 1 106 . 1 . 1 71 71 VAL HG11 H 1 0.794 0.00 . . . . . . A 318 VAL HG11 . 30772 1 107 . 1 . 1 71 71 VAL HG12 H 1 0.794 0.00 . . . . . . A 318 VAL HG12 . 30772 1 108 . 1 . 1 71 71 VAL HG13 H 1 0.794 0.00 . . . . . . A 318 VAL HG13 . 30772 1 109 . 1 . 1 71 71 VAL HG21 H 1 0.970 0.00 . . . . . . A 318 VAL HG21 . 30772 1 110 . 1 . 1 71 71 VAL HG22 H 1 0.970 0.00 . . . . . . A 318 VAL HG22 . 30772 1 111 . 1 . 1 71 71 VAL HG23 H 1 0.970 0.00 . . . . . . A 318 VAL HG23 . 30772 1 112 . 1 . 1 71 71 VAL CG1 C 13 23.948 0.00 . . . . . . A 318 VAL CG1 . 30772 1 113 . 1 . 1 71 71 VAL CG2 C 13 21.927 0.00 . . . . . . A 318 VAL CG2 . 30772 1 114 . 1 . 1 73 73 LEU HD11 H 1 -0.424 0.00 . . . . . . A 320 LEU HD11 . 30772 1 115 . 1 . 1 73 73 LEU HD12 H 1 -0.424 0.00 . . . . . . A 320 LEU HD12 . 30772 1 116 . 1 . 1 73 73 LEU HD13 H 1 -0.424 0.00 . . . . . . A 320 LEU HD13 . 30772 1 117 . 1 . 1 73 73 LEU HD21 H 1 0.705 0.00 . . . . . . A 320 LEU HD21 . 30772 1 118 . 1 . 1 73 73 LEU HD22 H 1 0.705 0.00 . . . . . . A 320 LEU HD22 . 30772 1 119 . 1 . 1 73 73 LEU HD23 H 1 0.705 0.00 . . . . . . A 320 LEU HD23 . 30772 1 120 . 1 . 1 73 73 LEU CD1 C 13 25.928 0.00 . . . . . . A 320 LEU CD1 . 30772 1 121 . 1 . 1 73 73 LEU CD2 C 13 25.640 0.00 . . . . . . A 320 LEU CD2 . 30772 1 122 . 1 . 1 74 74 LEU HD11 H 1 0.759 0.00 . . . . . . A 321 LEU HD11 . 30772 1 123 . 1 . 1 74 74 LEU HD12 H 1 0.759 0.00 . . . . . . A 321 LEU HD12 . 30772 1 124 . 1 . 1 74 74 LEU HD13 H 1 0.759 0.00 . . . . . . A 321 LEU HD13 . 30772 1 125 . 1 . 1 74 74 LEU CD1 C 13 25.850 0.00 . . . . . . A 321 LEU CD1 . 30772 1 126 . 1 . 1 76 76 VAL HG21 H 1 0.669 0.00 . . . . . . A 323 VAL HG21 . 30772 1 127 . 1 . 1 76 76 VAL HG22 H 1 0.669 0.00 . . . . . . A 323 VAL HG22 . 30772 1 128 . 1 . 1 76 76 VAL HG23 H 1 0.669 0.00 . . . . . . A 323 VAL HG23 . 30772 1 129 . 1 . 1 76 76 VAL CG2 C 13 18.701 0.00 . . . . . . A 323 VAL CG2 . 30772 1 130 . 1 . 1 84 84 TYR HD1 H 1 6.758 0.00 . . . . . . A 331 TYR HD1 . 30772 1 131 . 1 . 1 84 84 TYR HD2 H 1 6.758 0.00 . . . . . . A 331 TYR HD2 . 30772 1 132 . 1 . 1 84 84 TYR HE1 H 1 6.468 0.00 . . . . . . A 331 TYR HE1 . 30772 1 133 . 1 . 1 84 84 TYR HE2 H 1 6.467 0.00 . . . . . . A 331 TYR HE2 . 30772 1 134 . 1 . 1 85 85 ILE HD11 H 1 0.746 0.00 . . . . . . A 332 ILE HD11 . 30772 1 135 . 1 . 1 85 85 ILE HD12 H 1 0.746 0.00 . . . . . . A 332 ILE HD12 . 30772 1 136 . 1 . 1 85 85 ILE HD13 H 1 0.746 0.00 . . . . . . A 332 ILE HD13 . 30772 1 137 . 1 . 1 85 85 ILE CD1 C 13 14.351 0.00 . . . . . . A 332 ILE CD1 . 30772 1 138 . 1 . 1 86 86 ILE HD11 H 1 0.571 0.00 . . . . . . A 333 ILE HD11 . 30772 1 139 . 1 . 1 86 86 ILE HD12 H 1 0.571 0.00 . . . . . . A 333 ILE HD12 . 30772 1 140 . 1 . 1 86 86 ILE HD13 H 1 0.571 0.00 . . . . . . A 333 ILE HD13 . 30772 1 141 . 1 . 1 86 86 ILE CD1 C 13 15.103 0.00 . . . . . . A 333 ILE CD1 . 30772 1 142 . 1 . 1 87 87 THR HG21 H 1 1.016 0.00 . . . . . . A 334 THR HG21 . 30772 1 143 . 1 . 1 87 87 THR HG22 H 1 1.016 0.00 . . . . . . A 334 THR HG22 . 30772 1 144 . 1 . 1 87 87 THR HG23 H 1 1.016 0.00 . . . . . . A 334 THR HG23 . 30772 1 145 . 1 . 1 87 87 THR CG2 C 13 20.207 0.00 . . . . . . A 334 THR CG2 . 30772 1 146 . 1 . 1 89 89 PHE HE1 H 1 7.192 0.00 . . . . . . A 336 PHE HE1 . 30772 1 147 . 1 . 1 89 89 PHE HE2 H 1 7.192 0.00 . . . . . . A 336 PHE HE2 . 30772 1 148 . 1 . 1 89 89 PHE CE1 C 13 128.750 0.00 . . . . . . A 336 PHE CE1 . 30772 1 149 . 1 . 1 89 89 PHE CE2 C 13 128.750 0.00 . . . . . . A 336 PHE CE2 . 30772 1 150 . 1 . 1 90 90 MET HE1 H 1 1.557 0.00 . . . . . . A 337 MET HE1 . 30772 1 151 . 1 . 1 90 90 MET HE2 H 1 1.557 0.00 . . . . . . A 337 MET HE2 . 30772 1 152 . 1 . 1 90 90 MET HE3 H 1 1.557 0.00 . . . . . . A 337 MET HE3 . 30772 1 153 . 1 . 1 90 90 MET CE C 13 15.874 0.00 . . . . . . A 337 MET CE . 30772 1 154 . 1 . 1 95 95 LEU HD11 H 1 0.681 0.00 . . . . . . A 342 LEU HD11 . 30772 1 155 . 1 . 1 95 95 LEU HD12 H 1 0.681 0.00 . . . . . . A 342 LEU HD12 . 30772 1 156 . 1 . 1 95 95 LEU HD13 H 1 0.681 0.00 . . . . . . A 342 LEU HD13 . 30772 1 157 . 1 . 1 95 95 LEU HD21 H 1 0.879 0.00 . . . . . . A 342 LEU HD21 . 30772 1 158 . 1 . 1 95 95 LEU HD22 H 1 0.879 0.00 . . . . . . A 342 LEU HD22 . 30772 1 159 . 1 . 1 95 95 LEU HD23 H 1 0.879 0.00 . . . . . . A 342 LEU HD23 . 30772 1 160 . 1 . 1 95 95 LEU CD1 C 13 25.957 0.00 . . . . . . A 342 LEU CD1 . 30772 1 161 . 1 . 1 95 95 LEU CD2 C 13 23.864 0.00 . . . . . . A 342 LEU CD2 . 30772 1 162 . 1 . 1 96 96 LEU HD11 H 1 1.002 0.00 . . . . . . A 343 LEU HD11 . 30772 1 163 . 1 . 1 96 96 LEU HD12 H 1 1.002 0.00 . . . . . . A 343 LEU HD12 . 30772 1 164 . 1 . 1 96 96 LEU HD13 H 1 1.002 0.00 . . . . . . A 343 LEU HD13 . 30772 1 165 . 1 . 1 96 96 LEU HD21 H 1 1.051 0.00 . . . . . . A 343 LEU HD21 . 30772 1 166 . 1 . 1 96 96 LEU HD22 H 1 1.051 0.00 . . . . . . A 343 LEU HD22 . 30772 1 167 . 1 . 1 96 96 LEU HD23 H 1 1.051 0.00 . . . . . . A 343 LEU HD23 . 30772 1 168 . 1 . 1 96 96 LEU CD1 C 13 25.433 0.00 . . . . . . A 343 LEU CD1 . 30772 1 169 . 1 . 1 96 96 LEU CD2 C 13 23.906 0.00 . . . . . . A 343 LEU CD2 . 30772 1 170 . 1 . 1 99 99 LEU HD11 H 1 0.711 0.00 . . . . . . A 346 LEU HD11 . 30772 1 171 . 1 . 1 99 99 LEU HD12 H 1 0.711 0.00 . . . . . . A 346 LEU HD12 . 30772 1 172 . 1 . 1 99 99 LEU HD13 H 1 0.711 0.00 . . . . . . A 346 LEU HD13 . 30772 1 173 . 1 . 1 99 99 LEU HD21 H 1 0.784 0.00 . . . . . . A 346 LEU HD21 . 30772 1 174 . 1 . 1 99 99 LEU HD22 H 1 0.784 0.00 . . . . . . A 346 LEU HD22 . 30772 1 175 . 1 . 1 99 99 LEU HD23 H 1 0.784 0.00 . . . . . . A 346 LEU HD23 . 30772 1 176 . 1 . 1 99 99 LEU CD1 C 13 27.256 0.00 . . . . . . A 346 LEU CD1 . 30772 1 177 . 1 . 1 99 99 LEU CD2 C 13 22.166 0.00 . . . . . . A 346 LEU CD2 . 30772 1 178 . 1 . 1 107 107 VAL HG11 H 1 0.918 0.00 . . . . . . A 354 VAL HG11 . 30772 1 179 . 1 . 1 107 107 VAL HG12 H 1 0.918 0.00 . . . . . . A 354 VAL HG12 . 30772 1 180 . 1 . 1 107 107 VAL HG13 H 1 0.918 0.00 . . . . . . A 354 VAL HG13 . 30772 1 181 . 1 . 1 107 107 VAL HG21 H 1 0.878 0.00 . . . . . . A 354 VAL HG21 . 30772 1 182 . 1 . 1 107 107 VAL HG22 H 1 0.878 0.00 . . . . . . A 354 VAL HG22 . 30772 1 183 . 1 . 1 107 107 VAL HG23 H 1 0.878 0.00 . . . . . . A 354 VAL HG23 . 30772 1 184 . 1 . 1 107 107 VAL CG1 C 13 21.885 0.00 . . . . . . A 354 VAL CG1 . 30772 1 185 . 1 . 1 107 107 VAL CG2 C 13 21.842 0.00 . . . . . . A 354 VAL CG2 . 30772 1 186 . 1 . 1 109 109 ALA HB1 H 1 1.492 0.00 . . . . . . A 356 ALA HB1 . 30772 1 187 . 1 . 1 109 109 ALA HB2 H 1 1.492 0.00 . . . . . . A 356 ALA HB2 . 30772 1 188 . 1 . 1 109 109 ALA HB3 H 1 1.492 0.00 . . . . . . A 356 ALA HB3 . 30772 1 189 . 1 . 1 109 109 ALA CB C 13 18.415 0.00 . . . . . . A 356 ALA CB . 30772 1 190 . 1 . 1 110 110 VAL HG11 H 1 1.013 0.00 . . . . . . A 357 VAL HG11 . 30772 1 191 . 1 . 1 110 110 VAL HG12 H 1 1.013 0.00 . . . . . . A 357 VAL HG12 . 30772 1 192 . 1 . 1 110 110 VAL HG13 H 1 1.013 0.00 . . . . . . A 357 VAL HG13 . 30772 1 193 . 1 . 1 110 110 VAL HG21 H 1 1.029 0.00 . . . . . . A 357 VAL HG21 . 30772 1 194 . 1 . 1 110 110 VAL HG22 H 1 1.029 0.00 . . . . . . A 357 VAL HG22 . 30772 1 195 . 1 . 1 110 110 VAL HG23 H 1 1.029 0.00 . . . . . . A 357 VAL HG23 . 30772 1 196 . 1 . 1 110 110 VAL CG1 C 13 22.725 0.00 . . . . . . A 357 VAL CG1 . 30772 1 197 . 1 . 1 110 110 VAL CG2 C 13 21.398 0.00 . . . . . . A 357 VAL CG2 . 30772 1 198 . 1 . 1 111 111 VAL HG11 H 1 0.528 0.00 . . . . . . A 358 VAL HG11 . 30772 1 199 . 1 . 1 111 111 VAL HG12 H 1 0.528 0.00 . . . . . . A 358 VAL HG12 . 30772 1 200 . 1 . 1 111 111 VAL HG13 H 1 0.528 0.00 . . . . . . A 358 VAL HG13 . 30772 1 201 . 1 . 1 111 111 VAL HG21 H 1 1.051 0.00 . . . . . . A 358 VAL HG21 . 30772 1 202 . 1 . 1 111 111 VAL HG22 H 1 1.051 0.00 . . . . . . A 358 VAL HG22 . 30772 1 203 . 1 . 1 111 111 VAL HG23 H 1 1.051 0.00 . . . . . . A 358 VAL HG23 . 30772 1 204 . 1 . 1 111 111 VAL CG1 C 13 22.465 0.00 . . . . . . A 358 VAL CG1 . 30772 1 205 . 1 . 1 111 111 VAL CG2 C 13 22.415 0.00 . . . . . . A 358 VAL CG2 . 30772 1 206 . 1 . 1 112 112 LEU HD11 H 1 0.506 0.00 . . . . . . A 359 LEU HD11 . 30772 1 207 . 1 . 1 112 112 LEU HD12 H 1 0.506 0.00 . . . . . . A 359 LEU HD12 . 30772 1 208 . 1 . 1 112 112 LEU HD13 H 1 0.506 0.00 . . . . . . A 359 LEU HD13 . 30772 1 209 . 1 . 1 112 112 LEU HD21 H 1 0.322 0.00 . . . . . . A 359 LEU HD21 . 30772 1 210 . 1 . 1 112 112 LEU HD22 H 1 0.322 0.00 . . . . . . A 359 LEU HD22 . 30772 1 211 . 1 . 1 112 112 LEU HD23 H 1 0.322 0.00 . . . . . . A 359 LEU HD23 . 30772 1 212 . 1 . 1 112 112 LEU CD1 C 13 24.442 0.00 . . . . . . A 359 LEU CD1 . 30772 1 213 . 1 . 1 112 112 LEU CD2 C 13 20.787 0.00 . . . . . . A 359 LEU CD2 . 30772 1 214 . 1 . 1 113 113 LEU HD11 H 1 1.006 0.00 . . . . . . A 360 LEU HD11 . 30772 1 215 . 1 . 1 113 113 LEU HD12 H 1 1.006 0.00 . . . . . . A 360 LEU HD12 . 30772 1 216 . 1 . 1 113 113 LEU HD13 H 1 1.006 0.00 . . . . . . A 360 LEU HD13 . 30772 1 217 . 1 . 1 113 113 LEU HD21 H 1 1.048 0.00 . . . . . . A 360 LEU HD21 . 30772 1 218 . 1 . 1 113 113 LEU HD22 H 1 1.048 0.00 . . . . . . A 360 LEU HD22 . 30772 1 219 . 1 . 1 113 113 LEU HD23 H 1 1.048 0.00 . . . . . . A 360 LEU HD23 . 30772 1 220 . 1 . 1 113 113 LEU CD1 C 13 25.915 0.00 . . . . . . A 360 LEU CD1 . 30772 1 221 . 1 . 1 113 113 LEU CD2 C 13 23.906 0.00 . . . . . . A 360 LEU CD2 . 30772 1 222 . 1 . 1 115 115 MET HE1 H 1 1.757 0.00 . . . . . . A 362 MET HE1 . 30772 1 223 . 1 . 1 115 115 MET HE2 H 1 1.757 0.00 . . . . . . A 362 MET HE2 . 30772 1 224 . 1 . 1 115 115 MET HE3 H 1 1.757 0.00 . . . . . . A 362 MET HE3 . 30772 1 225 . 1 . 1 115 115 MET CE C 13 18.055 0.00 . . . . . . A 362 MET CE . 30772 1 226 . 1 . 1 116 116 ALA HB1 H 1 0.659 0.00 . . . . . . A 363 ALA HB1 . 30772 1 227 . 1 . 1 116 116 ALA HB2 H 1 0.659 0.00 . . . . . . A 363 ALA HB2 . 30772 1 228 . 1 . 1 116 116 ALA HB3 H 1 0.659 0.00 . . . . . . A 363 ALA HB3 . 30772 1 229 . 1 . 1 116 116 ALA CB C 13 18.060 0.00 . . . . . . A 363 ALA CB . 30772 1 230 . 1 . 1 117 117 THR HG21 H 1 1.249 0.00 . . . . . . A 364 THR HG21 . 30772 1 231 . 1 . 1 117 117 THR HG22 H 1 1.249 0.00 . . . . . . A 364 THR HG22 . 30772 1 232 . 1 . 1 117 117 THR HG23 H 1 1.249 0.00 . . . . . . A 364 THR HG23 . 30772 1 233 . 1 . 1 117 117 THR CG2 C 13 21.267 0.00 . . . . . . A 364 THR CG2 . 30772 1 234 . 1 . 1 119 119 ILE HD11 H 1 0.646 0.00 . . . . . . A 366 ILE HD11 . 30772 1 235 . 1 . 1 119 119 ILE HD12 H 1 0.646 0.00 . . . . . . A 366 ILE HD12 . 30772 1 236 . 1 . 1 119 119 ILE HD13 H 1 0.646 0.00 . . . . . . A 366 ILE HD13 . 30772 1 237 . 1 . 1 119 119 ILE CD1 C 13 15.070 0.00 . . . . . . A 366 ILE CD1 . 30772 1 238 . 1 . 1 122 122 ALA HB1 H 1 1.118 0.00 . . . . . . A 369 ALA HB1 . 30772 1 239 . 1 . 1 122 122 ALA HB2 H 1 1.118 0.00 . . . . . . A 369 ALA HB2 . 30772 1 240 . 1 . 1 122 122 ALA HB3 H 1 1.118 0.00 . . . . . . A 369 ALA HB3 . 30772 1 241 . 1 . 1 122 122 ALA CB C 13 18.031 0.00 . . . . . . A 369 ALA CB . 30772 1 242 . 1 . 1 123 123 MET HE1 H 1 1.772 0.00 . . . . . . A 370 MET HE1 . 30772 1 243 . 1 . 1 123 123 MET HE2 H 1 1.772 0.00 . . . . . . A 370 MET HE2 . 30772 1 244 . 1 . 1 123 123 MET HE3 H 1 1.772 0.00 . . . . . . A 370 MET HE3 . 30772 1 245 . 1 . 1 123 123 MET CE C 13 15.532 0.00 . . . . . . A 370 MET CE . 30772 1 246 . 1 . 1 125 125 TYR HD1 H 1 6.753 0.00 . . . . . . A 372 TYR HD1 . 30772 1 247 . 1 . 1 125 125 TYR HD2 H 1 6.753 0.00 . . . . . . A 372 TYR HD2 . 30772 1 248 . 1 . 1 125 125 TYR HE1 H 1 6.543 0.00 . . . . . . A 372 TYR HE1 . 30772 1 249 . 1 . 1 125 125 TYR HE2 H 1 6.543 0.00 . . . . . . A 372 TYR HE2 . 30772 1 250 . 1 . 1 126 126 LEU HD11 H 1 0.688 0.00 . . . . . . A 373 LEU HD11 . 30772 1 251 . 1 . 1 126 126 LEU HD12 H 1 0.688 0.00 . . . . . . A 373 LEU HD12 . 30772 1 252 . 1 . 1 126 126 LEU HD13 H 1 0.688 0.00 . . . . . . A 373 LEU HD13 . 30772 1 253 . 1 . 1 126 126 LEU HD21 H 1 0.184 0.00 . . . . . . A 373 LEU HD21 . 30772 1 254 . 1 . 1 126 126 LEU HD22 H 1 0.184 0.00 . . . . . . A 373 LEU HD22 . 30772 1 255 . 1 . 1 126 126 LEU HD23 H 1 0.184 0.00 . . . . . . A 373 LEU HD23 . 30772 1 256 . 1 . 1 126 126 LEU CD1 C 13 25.394 0.00 . . . . . . A 373 LEU CD1 . 30772 1 257 . 1 . 1 126 126 LEU CD2 C 13 21.772 0.00 . . . . . . A 373 LEU CD2 . 30772 1 258 . 1 . 1 131 131 PHE HE1 H 1 7.185 0.00 . . . . . . A 378 PHE HE1 . 30772 1 259 . 1 . 1 131 131 PHE HE2 H 1 7.185 0.00 . . . . . . A 378 PHE HE2 . 30772 1 260 . 1 . 1 131 131 PHE CE1 C 13 128.411 0.00 . . . . . . A 378 PHE CE1 . 30772 1 261 . 1 . 1 131 131 PHE CE2 C 13 128.411 0.00 . . . . . . A 378 PHE CE2 . 30772 1 262 . 1 . 1 132 132 ILE HD11 H 1 0.767 0.00 . . . . . . A 379 ILE HD11 . 30772 1 263 . 1 . 1 132 132 ILE HD12 H 1 0.767 0.00 . . . . . . A 379 ILE HD12 . 30772 1 264 . 1 . 1 132 132 ILE HD13 H 1 0.767 0.00 . . . . . . A 379 ILE HD13 . 30772 1 265 . 1 . 1 132 132 ILE CD1 C 13 14.633 0.00 . . . . . . A 379 ILE CD1 . 30772 1 266 . 1 . 1 136 136 LEU HD11 H 1 0.670 0.00 . . . . . . A 383 LEU HD11 . 30772 1 267 . 1 . 1 136 136 LEU HD12 H 1 0.670 0.00 . . . . . . A 383 LEU HD12 . 30772 1 268 . 1 . 1 136 136 LEU HD13 H 1 0.670 0.00 . . . . . . A 383 LEU HD13 . 30772 1 269 . 1 . 1 136 136 LEU HD21 H 1 0.955 0.00 . . . . . . A 383 LEU HD21 . 30772 1 270 . 1 . 1 136 136 LEU HD22 H 1 0.955 0.00 . . . . . . A 383 LEU HD22 . 30772 1 271 . 1 . 1 136 136 LEU HD23 H 1 0.955 0.00 . . . . . . A 383 LEU HD23 . 30772 1 272 . 1 . 1 136 136 LEU CD1 C 13 23.209 0.00 . . . . . . A 383 LEU CD1 . 30772 1 273 . 1 . 1 136 136 LEU CD2 C 13 25.210 0.00 . . . . . . A 383 LEU CD2 . 30772 1 274 . 1 . 1 137 137 ALA HB1 H 1 0.761 0.00 . . . . . . A 384 ALA HB1 . 30772 1 275 . 1 . 1 137 137 ALA HB2 H 1 0.761 0.00 . . . . . . A 384 ALA HB2 . 30772 1 276 . 1 . 1 137 137 ALA HB3 H 1 0.761 0.00 . . . . . . A 384 ALA HB3 . 30772 1 277 . 1 . 1 137 137 ALA CB C 13 20.774 0.00 . . . . . . A 384 ALA CB . 30772 1 278 . 1 . 1 138 138 ALA HB1 H 1 1.272 0.00 . . . . . . A 385 ALA HB1 . 30772 1 279 . 1 . 1 138 138 ALA HB2 H 1 1.272 0.00 . . . . . . A 385 ALA HB2 . 30772 1 280 . 1 . 1 138 138 ALA HB3 H 1 1.272 0.00 . . . . . . A 385 ALA HB3 . 30772 1 281 . 1 . 1 138 138 ALA CB C 13 15.869 0.00 . . . . . . A 385 ALA CB . 30772 1 282 . 1 . 1 143 143 VAL HG11 H 1 0.363 0.00 . . . . . . A 390 VAL HG11 . 30772 1 283 . 1 . 1 143 143 VAL HG12 H 1 0.363 0.00 . . . . . . A 390 VAL HG12 . 30772 1 284 . 1 . 1 143 143 VAL HG13 H 1 0.363 0.00 . . . . . . A 390 VAL HG13 . 30772 1 285 . 1 . 1 143 143 VAL HG21 H 1 0.131 0.00 . . . . . . A 390 VAL HG21 . 30772 1 286 . 1 . 1 143 143 VAL HG22 H 1 0.131 0.00 . . . . . . A 390 VAL HG22 . 30772 1 287 . 1 . 1 143 143 VAL HG23 H 1 0.131 0.00 . . . . . . A 390 VAL HG23 . 30772 1 288 . 1 . 1 143 143 VAL CG1 C 13 21.796 0.00 . . . . . . A 390 VAL CG1 . 30772 1 289 . 1 . 1 143 143 VAL CG2 C 13 19.821 0.00 . . . . . . A 390 VAL CG2 . 30772 1 290 . 1 . 1 148 148 LEU HD11 H 1 0.862 0.00 . . . . . . A 395 LEU HD11 . 30772 1 291 . 1 . 1 148 148 LEU HD12 H 1 0.862 0.00 . . . . . . A 395 LEU HD12 . 30772 1 292 . 1 . 1 148 148 LEU HD13 H 1 0.862 0.00 . . . . . . A 395 LEU HD13 . 30772 1 293 . 1 . 1 148 148 LEU HD21 H 1 0.872 0.00 . . . . . . A 395 LEU HD21 . 30772 1 294 . 1 . 1 148 148 LEU HD22 H 1 0.872 0.00 . . . . . . A 395 LEU HD22 . 30772 1 295 . 1 . 1 148 148 LEU HD23 H 1 0.872 0.00 . . . . . . A 395 LEU HD23 . 30772 1 296 . 1 . 1 148 148 LEU CD1 C 13 26.349 0.00 . . . . . . A 395 LEU CD1 . 30772 1 297 . 1 . 1 148 148 LEU CD2 C 13 23.088 0.00 . . . . . . A 395 LEU CD2 . 30772 1 298 . 1 . 1 149 149 VAL HG11 H 1 0.643 0.00 . . . . . . A 396 VAL HG11 . 30772 1 299 . 1 . 1 149 149 VAL HG12 H 1 0.643 0.00 . . . . . . A 396 VAL HG12 . 30772 1 300 . 1 . 1 149 149 VAL HG13 H 1 0.643 0.00 . . . . . . A 396 VAL HG13 . 30772 1 301 . 1 . 1 149 149 VAL HG21 H 1 0.712 0.00 . . . . . . A 396 VAL HG21 . 30772 1 302 . 1 . 1 149 149 VAL HG22 H 1 0.712 0.00 . . . . . . A 396 VAL HG22 . 30772 1 303 . 1 . 1 149 149 VAL HG23 H 1 0.712 0.00 . . . . . . A 396 VAL HG23 . 30772 1 304 . 1 . 1 149 149 VAL CG1 C 13 22.334 0.00 . . . . . . A 396 VAL CG1 . 30772 1 305 . 1 . 1 149 149 VAL CG2 C 13 22.225 0.00 . . . . . . A 396 VAL CG2 . 30772 1 306 . 1 . 1 151 151 VAL HG11 H 1 0.916 0.00 . . . . . . A 398 VAL HG11 . 30772 1 307 . 1 . 1 151 151 VAL HG12 H 1 0.916 0.00 . . . . . . A 398 VAL HG12 . 30772 1 308 . 1 . 1 151 151 VAL HG13 H 1 0.916 0.00 . . . . . . A 398 VAL HG13 . 30772 1 309 . 1 . 1 151 151 VAL CG1 C 13 22.696 0.00 . . . . . . A 398 VAL CG1 . 30772 1 310 . 1 . 1 152 152 ALA HB1 H 1 1.286 0.00 . . . . . . A 399 ALA HB1 . 30772 1 311 . 1 . 1 152 152 ALA HB2 H 1 1.286 0.00 . . . . . . A 399 ALA HB2 . 30772 1 312 . 1 . 1 152 152 ALA HB3 H 1 1.286 0.00 . . . . . . A 399 ALA HB3 . 30772 1 313 . 1 . 1 152 152 ALA CB C 13 22.377 0.00 . . . . . . A 399 ALA CB . 30772 1 314 . 1 . 1 154 154 PHE HE1 H 1 7.093 0.00 . . . . . . A 401 PHE HE1 . 30772 1 315 . 1 . 1 154 154 PHE HE2 H 1 7.093 0.00 . . . . . . A 401 PHE HE2 . 30772 1 316 . 1 . 1 154 154 PHE CE1 C 13 128.717 0.00 . . . . . . A 401 PHE CE1 . 30772 1 317 . 1 . 1 154 154 PHE CE2 C 13 128.717 0.00 . . . . . . A 401 PHE CE2 . 30772 1 318 . 1 . 1 160 160 MET HE1 H 1 1.831 0.00 . . . . . . A 407 MET HE1 . 30772 1 319 . 1 . 1 160 160 MET HE2 H 1 1.831 0.00 . . . . . . A 407 MET HE2 . 30772 1 320 . 1 . 1 160 160 MET HE3 H 1 1.831 0.00 . . . . . . A 407 MET HE3 . 30772 1 321 . 1 . 1 160 160 MET CE C 13 17.192 0.00 . . . . . . A 407 MET CE . 30772 1 322 . 1 . 1 166 166 THR HG21 H 1 1.200 0.00 . . . . . . A 413 THR HG21 . 30772 1 323 . 1 . 1 166 166 THR HG22 H 1 1.200 0.00 . . . . . . A 413 THR HG22 . 30772 1 324 . 1 . 1 166 166 THR HG23 H 1 1.200 0.00 . . . . . . A 413 THR HG23 . 30772 1 325 . 1 . 1 166 166 THR CG2 C 13 21.699 0.00 . . . . . . A 413 THR CG2 . 30772 1 326 . 1 . 1 167 167 ALA HB1 H 1 1.190 0.00 . . . . . . A 414 ALA HB1 . 30772 1 327 . 1 . 1 167 167 ALA HB2 H 1 1.190 0.00 . . . . . . A 414 ALA HB2 . 30772 1 328 . 1 . 1 167 167 ALA HB3 H 1 1.190 0.00 . . . . . . A 414 ALA HB3 . 30772 1 329 . 1 . 1 167 167 ALA CB C 13 18.678 0.00 . . . . . . A 414 ALA CB . 30772 1 330 . 1 . 1 169 169 ALA HB1 H 1 1.249 0.00 . . . . . . A 416 ALA HB1 . 30772 1 331 . 1 . 1 169 169 ALA HB2 H 1 1.249 0.00 . . . . . . A 416 ALA HB2 . 30772 1 332 . 1 . 1 169 169 ALA HB3 H 1 1.249 0.00 . . . . . . A 416 ALA HB3 . 30772 1 333 . 1 . 1 169 169 ALA CB C 13 18.563 0.00 . . . . . . A 416 ALA CB . 30772 1 334 . 1 . 1 171 171 ALA HB1 H 1 1.247 0.00 . . . . . . A 418 ALA HB1 . 30772 1 335 . 1 . 1 171 171 ALA HB2 H 1 1.247 0.00 . . . . . . A 418 ALA HB2 . 30772 1 336 . 1 . 1 171 171 ALA HB3 H 1 1.247 0.00 . . . . . . A 418 ALA HB3 . 30772 1 337 . 1 . 1 171 171 ALA CB C 13 19.107 0.00 . . . . . . A 418 ALA CB . 30772 1 338 . 1 . 1 175 175 ILE HD11 H 1 0.849 0.00 . . . . . . A 422 ILE HD11 . 30772 1 339 . 1 . 1 175 175 ILE HD12 H 1 0.849 0.00 . . . . . . A 422 ILE HD12 . 30772 1 340 . 1 . 1 175 175 ILE HD13 H 1 0.849 0.00 . . . . . . A 422 ILE HD13 . 30772 1 341 . 1 . 1 175 175 ILE CD1 C 13 12.813 0.00 . . . . . . A 422 ILE CD1 . 30772 1 342 . 1 . 1 177 177 TRP HE1 H 1 10.612 0.01 . . . . . . A 424 TRP HE1 . 30772 1 343 . 1 . 1 178 178 THR HG21 H 1 1.138 0.00 . . . . . . A 425 THR HG21 . 30772 1 344 . 1 . 1 178 178 THR HG22 H 1 1.138 0.00 . . . . . . A 425 THR HG22 . 30772 1 345 . 1 . 1 178 178 THR HG23 H 1 1.138 0.00 . . . . . . A 425 THR HG23 . 30772 1 346 . 1 . 1 178 178 THR CG2 C 13 22.583 0.00 . . . . . . A 425 THR CG2 . 30772 1 347 . 1 . 1 179 179 ALA HB1 H 1 1.118 0.00 . . . . . . A 426 ALA HB1 . 30772 1 348 . 1 . 1 179 179 ALA HB2 H 1 1.118 0.00 . . . . . . A 426 ALA HB2 . 30772 1 349 . 1 . 1 179 179 ALA HB3 H 1 1.118 0.00 . . . . . . A 426 ALA HB3 . 30772 1 350 . 1 . 1 179 179 ALA CB C 13 17.284 0.00 . . . . . . A 426 ALA CB . 30772 1 351 . 1 . 1 183 183 LEU HD11 H 1 0.761 0.00 . . . . . . A 430 LEU HD11 . 30772 1 352 . 1 . 1 183 183 LEU HD12 H 1 0.761 0.00 . . . . . . A 430 LEU HD12 . 30772 1 353 . 1 . 1 183 183 LEU HD13 H 1 0.761 0.00 . . . . . . A 430 LEU HD13 . 30772 1 354 . 1 . 1 183 183 LEU HD21 H 1 0.759 0.00 . . . . . . A 430 LEU HD21 . 30772 1 355 . 1 . 1 183 183 LEU HD22 H 1 0.759 0.00 . . . . . . A 430 LEU HD22 . 30772 1 356 . 1 . 1 183 183 LEU HD23 H 1 0.759 0.00 . . . . . . A 430 LEU HD23 . 30772 1 357 . 1 . 1 183 183 LEU CD1 C 13 25.362 0.00 . . . . . . A 430 LEU CD1 . 30772 1 358 . 1 . 1 183 183 LEU CD2 C 13 23.367 0.00 . . . . . . A 430 LEU CD2 . 30772 1 359 . 1 . 1 184 184 ALA HB1 H 1 0.518 0.00 . . . . . . A 431 ALA HB1 . 30772 1 360 . 1 . 1 184 184 ALA HB2 H 1 0.518 0.00 . . . . . . A 431 ALA HB2 . 30772 1 361 . 1 . 1 184 184 ALA HB3 H 1 0.518 0.00 . . . . . . A 431 ALA HB3 . 30772 1 362 . 1 . 1 184 184 ALA CB C 13 18.776 0.00 . . . . . . A 431 ALA CB . 30772 1 363 . 1 . 1 190 190 ILE HD11 H 1 1.237 0.00 . . . . . . A 437 ILE HD11 . 30772 1 364 . 1 . 1 190 190 ILE HD12 H 1 1.237 0.00 . . . . . . A 437 ILE HD12 . 30772 1 365 . 1 . 1 190 190 ILE HD13 H 1 1.237 0.00 . . . . . . A 437 ILE HD13 . 30772 1 366 . 1 . 1 190 190 ILE CD1 C 13 12.466 0.00 . . . . . . A 437 ILE CD1 . 30772 1 367 . 1 . 1 194 194 VAL HG11 H 1 0.981 0.00 . . . . . . A 441 VAL HG11 . 30772 1 368 . 1 . 1 194 194 VAL HG12 H 1 0.981 0.00 . . . . . . A 441 VAL HG12 . 30772 1 369 . 1 . 1 194 194 VAL HG13 H 1 0.981 0.00 . . . . . . A 441 VAL HG13 . 30772 1 370 . 1 . 1 194 194 VAL HG21 H 1 0.265 0.00 . . . . . . A 441 VAL HG21 . 30772 1 371 . 1 . 1 194 194 VAL HG22 H 1 0.265 0.00 . . . . . . A 441 VAL HG22 . 30772 1 372 . 1 . 1 194 194 VAL HG23 H 1 0.265 0.00 . . . . . . A 441 VAL HG23 . 30772 1 373 . 1 . 1 194 194 VAL CG1 C 13 22.683 0.00 . . . . . . A 441 VAL CG1 . 30772 1 374 . 1 . 1 194 194 VAL CG2 C 13 21.490 0.00 . . . . . . A 441 VAL CG2 . 30772 1 375 . 1 . 1 195 195 TRP HE1 H 1 10.614 0.00 . . . . . . A 442 TRP HE1 . 30772 1 376 . 1 . 1 196 196 ALA HB1 H 1 2.409 0.00 . . . . . . A 443 ALA HB1 . 30772 1 377 . 1 . 1 196 196 ALA HB2 H 1 2.409 0.00 . . . . . . A 443 ALA HB2 . 30772 1 378 . 1 . 1 196 196 ALA HB3 H 1 2.409 0.00 . . . . . . A 443 ALA HB3 . 30772 1 379 . 1 . 1 196 196 ALA CB C 13 19.532 0.00 . . . . . . A 443 ALA CB . 30772 1 380 . 1 . 1 197 197 PHE HE1 H 1 7.064 0.00 . . . . . . A 444 PHE HE1 . 30772 1 381 . 1 . 1 197 197 PHE HE2 H 1 7.064 0.00 . . . . . . A 444 PHE HE2 . 30772 1 382 . 1 . 1 197 197 PHE CE1 C 13 128.295 0.00 . . . . . . A 444 PHE CE1 . 30772 1 383 . 1 . 1 197 197 PHE CE2 C 13 128.295 0.00 . . . . . . A 444 PHE CE2 . 30772 1 384 . 1 . 1 199 199 VAL HG11 H 1 1.150 0.00 . . . . . . A 446 VAL HG11 . 30772 1 385 . 1 . 1 199 199 VAL HG12 H 1 1.150 0.00 . . . . . . A 446 VAL HG12 . 30772 1 386 . 1 . 1 199 199 VAL HG13 H 1 1.150 0.00 . . . . . . A 446 VAL HG13 . 30772 1 387 . 1 . 1 199 199 VAL HG21 H 1 0.281 0.00 . . . . . . A 446 VAL HG21 . 30772 1 388 . 1 . 1 199 199 VAL HG22 H 1 0.281 0.00 . . . . . . A 446 VAL HG22 . 30772 1 389 . 1 . 1 199 199 VAL HG23 H 1 0.281 0.00 . . . . . . A 446 VAL HG23 . 30772 1 390 . 1 . 1 199 199 VAL CG1 C 13 22.036 0.00 . . . . . . A 446 VAL CG1 . 30772 1 391 . 1 . 1 199 199 VAL CG2 C 13 21.103 0.00 . . . . . . A 446 VAL CG2 . 30772 1 392 . 1 . 1 200 200 LEU HD11 H 1 0.718 0.00 . . . . . . A 447 LEU HD11 . 30772 1 393 . 1 . 1 200 200 LEU HD12 H 1 0.718 0.00 . . . . . . A 447 LEU HD12 . 30772 1 394 . 1 . 1 200 200 LEU HD13 H 1 0.718 0.00 . . . . . . A 447 LEU HD13 . 30772 1 395 . 1 . 1 200 200 LEU HD21 H 1 0.768 0.00 . . . . . . A 447 LEU HD21 . 30772 1 396 . 1 . 1 200 200 LEU HD22 H 1 0.768 0.00 . . . . . . A 447 LEU HD22 . 30772 1 397 . 1 . 1 200 200 LEU HD23 H 1 0.768 0.00 . . . . . . A 447 LEU HD23 . 30772 1 398 . 1 . 1 200 200 LEU CD1 C 13 26.754 0.00 . . . . . . A 447 LEU CD1 . 30772 1 399 . 1 . 1 200 200 LEU CD2 C 13 25.043 0.00 . . . . . . A 447 LEU CD2 . 30772 1 400 . 1 . 1 201 201 LEU HD11 H 1 0.781 0.00 . . . . . . A 448 LEU HD11 . 30772 1 401 . 1 . 1 201 201 LEU HD12 H 1 0.781 0.00 . . . . . . A 448 LEU HD12 . 30772 1 402 . 1 . 1 201 201 LEU HD13 H 1 0.781 0.00 . . . . . . A 448 LEU HD13 . 30772 1 403 . 1 . 1 201 201 LEU HD21 H 1 0.522 0.00 . . . . . . A 448 LEU HD21 . 30772 1 404 . 1 . 1 201 201 LEU HD22 H 1 0.522 0.00 . . . . . . A 448 LEU HD22 . 30772 1 405 . 1 . 1 201 201 LEU HD23 H 1 0.522 0.00 . . . . . . A 448 LEU HD23 . 30772 1 406 . 1 . 1 201 201 LEU CD1 C 13 25.171 0.00 . . . . . . A 448 LEU CD1 . 30772 1 407 . 1 . 1 201 201 LEU CD2 C 13 23.639 0.00 . . . . . . A 448 LEU CD2 . 30772 1 408 . 1 . 1 202 202 TRP HE1 H 1 10.136 0.00 . . . . . . A 449 TRP HE1 . 30772 1 409 . 1 . 1 204 204 ILE HD11 H 1 0.446 0.00 . . . . . . A 451 ILE HD11 . 30772 1 410 . 1 . 1 204 204 ILE HD12 H 1 0.446 0.00 . . . . . . A 451 ILE HD12 . 30772 1 411 . 1 . 1 204 204 ILE HD13 H 1 0.446 0.00 . . . . . . A 451 ILE HD13 . 30772 1 412 . 1 . 1 204 204 ILE CD1 C 13 13.065 0.00 . . . . . . A 451 ILE CD1 . 30772 1 413 . 1 . 1 205 205 ALA HB1 H 1 1.166 0.00 . . . . . . A 452 ALA HB1 . 30772 1 414 . 1 . 1 205 205 ALA HB2 H 1 1.166 0.00 . . . . . . A 452 ALA HB2 . 30772 1 415 . 1 . 1 205 205 ALA HB3 H 1 1.166 0.00 . . . . . . A 452 ALA HB3 . 30772 1 416 . 1 . 1 205 205 ALA CB C 13 18.955 0.00 . . . . . . A 452 ALA CB . 30772 1 417 . 1 . 1 206 206 THR HG21 H 1 -0.204 0.00 . . . . . . A 453 THR HG21 . 30772 1 418 . 1 . 1 206 206 THR HG22 H 1 -0.204 0.00 . . . . . . A 453 THR HG22 . 30772 1 419 . 1 . 1 206 206 THR HG23 H 1 -0.204 0.00 . . . . . . A 453 THR HG23 . 30772 1 420 . 1 . 1 206 206 THR CG2 C 13 19.186 0.00 . . . . . . A 453 THR CG2 . 30772 1 421 . 1 . 1 209 209 MET HE1 H 1 2.168 0.00 . . . . . . A 456 MET HE1 . 30772 1 422 . 1 . 1 209 209 MET HE2 H 1 2.168 0.00 . . . . . . A 456 MET HE2 . 30772 1 423 . 1 . 1 209 209 MET HE3 H 1 2.168 0.00 . . . . . . A 456 MET HE3 . 30772 1 424 . 1 . 1 209 209 MET CE C 13 16.876 0.00 . . . . . . A 456 MET CE . 30772 1 425 . 1 . 1 215 215 ILE HD11 H 1 0.389 0.00 . . . . . . A 462 ILE HD11 . 30772 1 426 . 1 . 1 215 215 ILE HD12 H 1 0.389 0.00 . . . . . . A 462 ILE HD12 . 30772 1 427 . 1 . 1 215 215 ILE HD13 H 1 0.389 0.00 . . . . . . A 462 ILE HD13 . 30772 1 428 . 1 . 1 215 215 ILE CD1 C 13 11.109 0.00 . . . . . . A 462 ILE CD1 . 30772 1 429 . 1 . 1 217 217 LEU HD11 H 1 0.922 0.00 . . . . . . A 464 LEU HD11 . 30772 1 430 . 1 . 1 217 217 LEU HD12 H 1 0.922 0.00 . . . . . . A 464 LEU HD12 . 30772 1 431 . 1 . 1 217 217 LEU HD13 H 1 0.922 0.00 . . . . . . A 464 LEU HD13 . 30772 1 432 . 1 . 1 217 217 LEU HD21 H 1 0.817 0.00 . . . . . . A 464 LEU HD21 . 30772 1 433 . 1 . 1 217 217 LEU HD22 H 1 0.817 0.00 . . . . . . A 464 LEU HD22 . 30772 1 434 . 1 . 1 217 217 LEU HD23 H 1 0.817 0.00 . . . . . . A 464 LEU HD23 . 30772 1 435 . 1 . 1 217 217 LEU CD1 C 13 25.262 0.00 . . . . . . A 464 LEU CD1 . 30772 1 436 . 1 . 1 217 217 LEU CD2 C 13 23.715 0.00 . . . . . . A 464 LEU CD2 . 30772 1 437 . 1 . 1 220 220 VAL HG11 H 1 0.452 0.00 . . . . . . A 467 VAL HG11 . 30772 1 438 . 1 . 1 220 220 VAL HG12 H 1 0.452 0.00 . . . . . . A 467 VAL HG12 . 30772 1 439 . 1 . 1 220 220 VAL HG13 H 1 0.452 0.00 . . . . . . A 467 VAL HG13 . 30772 1 440 . 1 . 1 220 220 VAL HG21 H 1 0.313 0.00 . . . . . . A 467 VAL HG21 . 30772 1 441 . 1 . 1 220 220 VAL HG22 H 1 0.313 0.00 . . . . . . A 467 VAL HG22 . 30772 1 442 . 1 . 1 220 220 VAL HG23 H 1 0.313 0.00 . . . . . . A 467 VAL HG23 . 30772 1 443 . 1 . 1 220 220 VAL CG1 C 13 23.052 0.00 . . . . . . A 467 VAL CG1 . 30772 1 444 . 1 . 1 220 220 VAL CG2 C 13 20.015 0.00 . . . . . . A 467 VAL CG2 . 30772 1 445 . 1 . 1 223 223 LEU HD11 H 1 0.358 0.00 . . . . . . A 470 LEU HD11 . 30772 1 446 . 1 . 1 223 223 LEU HD12 H 1 0.358 0.00 . . . . . . A 470 LEU HD12 . 30772 1 447 . 1 . 1 223 223 LEU HD13 H 1 0.358 0.00 . . . . . . A 470 LEU HD13 . 30772 1 448 . 1 . 1 223 223 LEU HD21 H 1 0.497 0.00 . . . . . . A 470 LEU HD21 . 30772 1 449 . 1 . 1 223 223 LEU HD22 H 1 0.497 0.00 . . . . . . A 470 LEU HD22 . 30772 1 450 . 1 . 1 223 223 LEU HD23 H 1 0.497 0.00 . . . . . . A 470 LEU HD23 . 30772 1 451 . 1 . 1 223 223 LEU CD1 C 13 25.669 0.00 . . . . . . A 470 LEU CD1 . 30772 1 452 . 1 . 1 223 223 LEU CD2 C 13 22.337 0.00 . . . . . . A 470 LEU CD2 . 30772 1 453 . 1 . 1 224 224 LEU HD11 H 1 0.728 0.00 . . . . . . A 471 LEU HD11 . 30772 1 454 . 1 . 1 224 224 LEU HD12 H 1 0.728 0.00 . . . . . . A 471 LEU HD12 . 30772 1 455 . 1 . 1 224 224 LEU HD13 H 1 0.728 0.00 . . . . . . A 471 LEU HD13 . 30772 1 456 . 1 . 1 224 224 LEU HD21 H 1 1.214 0.00 . . . . . . A 471 LEU HD21 . 30772 1 457 . 1 . 1 224 224 LEU HD22 H 1 1.214 0.00 . . . . . . A 471 LEU HD22 . 30772 1 458 . 1 . 1 224 224 LEU HD23 H 1 1.214 0.00 . . . . . . A 471 LEU HD23 . 30772 1 459 . 1 . 1 224 224 LEU CD1 C 13 26.583 0.00 . . . . . . A 471 LEU CD1 . 30772 1 460 . 1 . 1 224 224 LEU CD2 C 13 21.084 0.00 . . . . . . A 471 LEU CD2 . 30772 1 461 . 1 . 1 228 228 TYR HD1 H 1 6.801 0.00 . . . . . . A 475 TYR HD1 . 30772 1 462 . 1 . 1 228 228 TYR HD2 H 1 6.801 0.00 . . . . . . A 475 TYR HD2 . 30772 1 463 . 1 . 1 228 228 TYR HE1 H 1 6.552 0.00 . . . . . . A 475 TYR HE1 . 30772 1 464 . 1 . 1 228 228 TYR HE2 H 1 6.552 0.00 . . . . . . A 475 TYR HE2 . 30772 1 465 . 1 . 1 230 230 MET HE1 H 1 0.752 0.00 . . . . . . A 477 MET HE1 . 30772 1 466 . 1 . 1 230 230 MET HE2 H 1 0.752 0.00 . . . . . . A 477 MET HE2 . 30772 1 467 . 1 . 1 230 230 MET HE3 H 1 0.752 0.00 . . . . . . A 477 MET HE3 . 30772 1 468 . 1 . 1 230 230 MET CE C 13 16.457 0.00 . . . . . . A 477 MET CE . 30772 1 469 . 1 . 1 240 240 VAL HG11 H 1 1.031 0.00 . . . . . . A 487 VAL HG11 . 30772 1 470 . 1 . 1 240 240 VAL HG12 H 1 1.031 0.00 . . . . . . A 487 VAL HG12 . 30772 1 471 . 1 . 1 240 240 VAL HG13 H 1 1.031 0.00 . . . . . . A 487 VAL HG13 . 30772 1 472 . 1 . 1 240 240 VAL HG21 H 1 0.962 0.00 . . . . . . A 487 VAL HG21 . 30772 1 473 . 1 . 1 240 240 VAL HG22 H 1 0.962 0.00 . . . . . . A 487 VAL HG22 . 30772 1 474 . 1 . 1 240 240 VAL HG23 H 1 0.962 0.00 . . . . . . A 487 VAL HG23 . 30772 1 475 . 1 . 1 240 240 VAL CG1 C 13 23.150 0.00 . . . . . . A 487 VAL CG1 . 30772 1 476 . 1 . 1 240 240 VAL CG2 C 13 21.544 0.00 . . . . . . A 487 VAL CG2 . 30772 1 477 . 1 . 1 243 243 LEU HD11 H 1 0.458 0.00 . . . . . . A 490 LEU HD11 . 30772 1 478 . 1 . 1 243 243 LEU HD12 H 1 0.458 0.00 . . . . . . A 490 LEU HD12 . 30772 1 479 . 1 . 1 243 243 LEU HD13 H 1 0.458 0.00 . . . . . . A 490 LEU HD13 . 30772 1 480 . 1 . 1 243 243 LEU HD21 H 1 0.634 0.00 . . . . . . A 490 LEU HD21 . 30772 1 481 . 1 . 1 243 243 LEU HD22 H 1 0.634 0.00 . . . . . . A 490 LEU HD22 . 30772 1 482 . 1 . 1 243 243 LEU HD23 H 1 0.634 0.00 . . . . . . A 490 LEU HD23 . 30772 1 483 . 1 . 1 243 243 LEU CD1 C 13 25.841 0.00 . . . . . . A 490 LEU CD1 . 30772 1 484 . 1 . 1 243 243 LEU CD2 C 13 24.082 0.00 . . . . . . A 490 LEU CD2 . 30772 1 485 . 1 . 1 244 244 MET HE1 H 1 1.947 0.00 . . . . . . A 491 MET HE1 . 30772 1 486 . 1 . 1 244 244 MET HE2 H 1 1.947 0.00 . . . . . . A 491 MET HE2 . 30772 1 487 . 1 . 1 244 244 MET HE3 H 1 1.947 0.00 . . . . . . A 491 MET HE3 . 30772 1 488 . 1 . 1 244 244 MET CE C 13 18.197 0.00 . . . . . . A 491 MET CE . 30772 1 489 . 1 . 1 246 246 ALA HB1 H 1 1.416 0.00 . . . . . . A 493 ALA HB1 . 30772 1 490 . 1 . 1 246 246 ALA HB2 H 1 1.416 0.00 . . . . . . A 493 ALA HB2 . 30772 1 491 . 1 . 1 246 246 ALA HB3 H 1 1.416 0.00 . . . . . . A 493 ALA HB3 . 30772 1 492 . 1 . 1 246 246 ALA CB C 13 17.499 0.00 . . . . . . A 493 ALA CB . 30772 1 493 . 1 . 1 248 248 TRP HE1 H 1 10.652 0.00 . . . . . . A 495 TRP HE1 . 30772 1 494 . 1 . 1 258 258 PHE HE1 H 1 7.514 0.00 . . . . . . A 505 PHE HE1 . 30772 1 495 . 1 . 1 258 258 PHE HE2 H 1 7.514 0.00 . . . . . . A 505 PHE HE2 . 30772 1 496 . 1 . 1 258 258 PHE CE1 C 13 130.548 0.00 . . . . . . A 505 PHE CE1 . 30772 1 497 . 1 . 1 258 258 PHE CE2 C 13 130.548 0.00 . . . . . . A 505 PHE CE2 . 30772 1 498 . 1 . 1 259 259 ALA HB1 H 1 1.491 0.00 . . . . . . A 506 ALA HB1 . 30772 1 499 . 1 . 1 259 259 ALA HB2 H 1 1.491 0.00 . . . . . . A 506 ALA HB2 . 30772 1 500 . 1 . 1 259 259 ALA HB3 H 1 1.491 0.00 . . . . . . A 506 ALA HB3 . 30772 1 501 . 1 . 1 259 259 ALA CB C 13 17.957 0.00 . . . . . . A 506 ALA CB . 30772 1 502 . 1 . 1 261 261 ILE HD11 H 1 0.394 0.00 . . . . . . A 508 ILE HD11 . 30772 1 503 . 1 . 1 261 261 ILE HD12 H 1 0.394 0.00 . . . . . . A 508 ILE HD12 . 30772 1 504 . 1 . 1 261 261 ILE HD13 H 1 0.394 0.00 . . . . . . A 508 ILE HD13 . 30772 1 505 . 1 . 1 261 261 ILE CD1 C 13 14.587 0.00 . . . . . . A 508 ILE CD1 . 30772 1 506 . 1 . 1 264 264 ALA HB1 H 1 1.312 0.00 . . . . . . A 511 ALA HB1 . 30772 1 507 . 1 . 1 264 264 ALA HB2 H 1 1.312 0.00 . . . . . . A 511 ALA HB2 . 30772 1 508 . 1 . 1 264 264 ALA HB3 H 1 1.312 0.00 . . . . . . A 511 ALA HB3 . 30772 1 509 . 1 . 1 264 264 ALA CB C 13 17.583 0.00 . . . . . . A 511 ALA CB . 30772 1 510 . 1 . 1 265 265 PHE HE1 H 1 7.241 0.00 . . . . . . A 512 PHE HE1 . 30772 1 511 . 1 . 1 265 265 PHE HE2 H 1 7.241 0.00 . . . . . . A 512 PHE HE2 . 30772 1 512 . 1 . 1 265 265 PHE CE1 C 13 127.965 0.00 . . . . . . A 512 PHE CE1 . 30772 1 513 . 1 . 1 265 265 PHE CE2 C 13 127.965 0.00 . . . . . . A 512 PHE CE2 . 30772 1 514 . 1 . 1 267 267 THR HG21 H 1 1.155 0.00 . . . . . . A 514 THR HG21 . 30772 1 515 . 1 . 1 267 267 THR HG22 H 1 1.155 0.00 . . . . . . A 514 THR HG22 . 30772 1 516 . 1 . 1 267 267 THR HG23 H 1 1.155 0.00 . . . . . . A 514 THR HG23 . 30772 1 517 . 1 . 1 267 267 THR CG2 C 13 21.363 0.00 . . . . . . A 514 THR CG2 . 30772 1 518 . 1 . 1 268 268 MET HE1 H 1 1.317 0.00 . . . . . . A 515 MET HE1 . 30772 1 519 . 1 . 1 268 268 MET HE2 H 1 1.317 0.00 . . . . . . A 515 MET HE2 . 30772 1 520 . 1 . 1 268 268 MET HE3 H 1 1.317 0.00 . . . . . . A 515 MET HE3 . 30772 1 521 . 1 . 1 268 268 MET CE C 13 16.547 0.00 . . . . . . A 515 MET CE . 30772 1 522 . 1 . 1 269 269 PHE HE1 H 1 7.292 0.00 . . . . . . A 516 PHE HE1 . 30772 1 523 . 1 . 1 269 269 PHE HE2 H 1 7.292 0.00 . . . . . . A 516 PHE HE2 . 30772 1 524 . 1 . 1 269 269 PHE CE1 C 13 129.139 0.00 . . . . . . A 516 PHE CE1 . 30772 1 525 . 1 . 1 269 269 PHE CE2 C 13 129.140 0.00 . . . . . . A 516 PHE CE2 . 30772 1 526 . 1 . 1 274 274 ILE HD11 H 1 0.782 0.00 . . . . . . A 521 ILE HD11 . 30772 1 527 . 1 . 1 274 274 ILE HD12 H 1 0.782 0.00 . . . . . . A 521 ILE HD12 . 30772 1 528 . 1 . 1 274 274 ILE HD13 H 1 0.782 0.00 . . . . . . A 521 ILE HD13 . 30772 1 529 . 1 . 1 274 274 ILE CD1 C 13 12.824 0.00 . . . . . . A 521 ILE CD1 . 30772 1 530 . 1 . 1 278 278 VAL HG11 H 1 0.919 0.00 . . . . . . A 525 VAL HG11 . 30772 1 531 . 1 . 1 278 278 VAL HG12 H 1 0.919 0.00 . . . . . . A 525 VAL HG12 . 30772 1 532 . 1 . 1 278 278 VAL HG13 H 1 0.919 0.00 . . . . . . A 525 VAL HG13 . 30772 1 533 . 1 . 1 278 278 VAL HG21 H 1 0.887 0.00 . . . . . . A 525 VAL HG21 . 30772 1 534 . 1 . 1 278 278 VAL HG22 H 1 0.887 0.00 . . . . . . A 525 VAL HG22 . 30772 1 535 . 1 . 1 278 278 VAL HG23 H 1 0.887 0.00 . . . . . . A 525 VAL HG23 . 30772 1 536 . 1 . 1 278 278 VAL CG1 C 13 21.013 0.00 . . . . . . A 525 VAL CG1 . 30772 1 537 . 1 . 1 278 278 VAL CG2 C 13 20.980 0.00 . . . . . . A 525 VAL CG2 . 30772 1 538 . 1 . 1 282 282 LEU HD11 H 1 0.859 0.00 . . . . . . A 529 LEU HD11 . 30772 1 539 . 1 . 1 282 282 LEU HD12 H 1 0.859 0.00 . . . . . . A 529 LEU HD12 . 30772 1 540 . 1 . 1 282 282 LEU HD13 H 1 0.859 0.00 . . . . . . A 529 LEU HD13 . 30772 1 541 . 1 . 1 282 282 LEU HD21 H 1 0.805 0.00 . . . . . . A 529 LEU HD21 . 30772 1 542 . 1 . 1 282 282 LEU HD22 H 1 0.805 0.00 . . . . . . A 529 LEU HD22 . 30772 1 543 . 1 . 1 282 282 LEU HD23 H 1 0.805 0.00 . . . . . . A 529 LEU HD23 . 30772 1 544 . 1 . 1 282 282 LEU CD1 C 13 24.777 0.00 . . . . . . A 529 LEU CD1 . 30772 1 545 . 1 . 1 282 282 LEU CD2 C 13 23.098 0.00 . . . . . . A 529 LEU CD2 . 30772 1 546 . 1 . 1 287 287 VAL HG11 H 1 0.845 0.00 . . . . . . A 534 VAL HG11 . 30772 1 547 . 1 . 1 287 287 VAL HG12 H 1 0.845 0.00 . . . . . . A 534 VAL HG12 . 30772 1 548 . 1 . 1 287 287 VAL HG13 H 1 0.845 0.00 . . . . . . A 534 VAL HG13 . 30772 1 549 . 1 . 1 287 287 VAL HG21 H 1 0.803 0.00 . . . . . . A 534 VAL HG21 . 30772 1 550 . 1 . 1 287 287 VAL HG22 H 1 0.803 0.00 . . . . . . A 534 VAL HG22 . 30772 1 551 . 1 . 1 287 287 VAL HG23 H 1 0.803 0.00 . . . . . . A 534 VAL HG23 . 30772 1 552 . 1 . 1 287 287 VAL CG1 C 13 21.407 0.00 . . . . . . A 534 VAL CG1 . 30772 1 553 . 1 . 1 287 287 VAL CG2 C 13 19.740 0.00 . . . . . . A 534 VAL CG2 . 30772 1 stop_ save_