data_30770 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30770 _Entry.Title ; Ablb 1b isoform active state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-11 _Entry.Accession_date 2020-07-11 _Entry.Last_release_date 2020-07-18 _Entry.Original_release_date 2020-07-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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. . . . 30770 2 T. Saleh T. . . . 30770 3 P. Rossi P. . . . 30770 4 C. Kalodimos C. G. . . 30770 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ONCOPROTEIN . 30770 'abl kinase' . 30770 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30770 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 168 30770 '15N chemical shifts' 171 30770 '1H chemical shifts' 638 30770 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 . . 2021-09-28 2020-07-11 update BMRB 'update entry citation' 30770 1 . . 2020-10-05 2020-07-11 original author 'original release' 30770 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XR6 'BMRB Entry Tracking System' 30770 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30770 _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 370 _Citation.Journal_issue 6513 _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 eabc2754 _Citation.Page_last eabc2754 _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. . . . 30770 1 2 T. Saleh T. . . . 30770 1 3 P. Rossi P. . . . 30770 1 4 C. Kalodimos C. G. . . 30770 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30770 _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 . . . . . . 30770 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30770 _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 GGGQYGEVYEGVWKKYSLTV AVKTLKEDTMEVEEFLKEAA VMKEIKHPNLVQLLGVCTRE PPFYIITEFMTYGNLLDYLR ECNRQEVNAVVLLYMATQIS SAMEYLEKKNFIHRDLAARN CLVGENHLVKVADFGLSRLM TGDTYTAHAGAKFPIKWTAP 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 . _Entity.EC_number 2.7.10.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33180.898 _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 30770 1 'Abelson tyrosine-protein kinase 1' common 30770 1 'Proto-oncogene c-Abl' common 30770 1 p150 common 30770 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 . 30770 1 2 249 PRO . 30770 1 3 250 ASN . 30770 1 4 251 TYR . 30770 1 5 252 ASP . 30770 1 6 253 LYS . 30770 1 7 254 TRP . 30770 1 8 255 GLU . 30770 1 9 256 MET . 30770 1 10 257 GLU . 30770 1 11 258 ARG . 30770 1 12 259 THR . 30770 1 13 260 ASP . 30770 1 14 261 ILE . 30770 1 15 262 THR . 30770 1 16 263 MET . 30770 1 17 264 LYS . 30770 1 18 265 HIS . 30770 1 19 266 LYS . 30770 1 20 267 LEU . 30770 1 21 268 GLY . 30770 1 22 269 GLY . 30770 1 23 270 GLY . 30770 1 24 271 GLN . 30770 1 25 272 TYR . 30770 1 26 273 GLY . 30770 1 27 274 GLU . 30770 1 28 275 VAL . 30770 1 29 276 TYR . 30770 1 30 277 GLU . 30770 1 31 278 GLY . 30770 1 32 279 VAL . 30770 1 33 280 TRP . 30770 1 34 281 LYS . 30770 1 35 282 LYS . 30770 1 36 283 TYR . 30770 1 37 284 SER . 30770 1 38 285 LEU . 30770 1 39 286 THR . 30770 1 40 287 VAL . 30770 1 41 288 ALA . 30770 1 42 289 VAL . 30770 1 43 290 LYS . 30770 1 44 291 THR . 30770 1 45 292 LEU . 30770 1 46 293 LYS . 30770 1 47 294 GLU . 30770 1 48 295 ASP . 30770 1 49 296 THR . 30770 1 50 297 MET . 30770 1 51 298 GLU . 30770 1 52 299 VAL . 30770 1 53 300 GLU . 30770 1 54 301 GLU . 30770 1 55 302 PHE . 30770 1 56 303 LEU . 30770 1 57 304 LYS . 30770 1 58 305 GLU . 30770 1 59 306 ALA . 30770 1 60 307 ALA . 30770 1 61 308 VAL . 30770 1 62 309 MET . 30770 1 63 310 LYS . 30770 1 64 311 GLU . 30770 1 65 312 ILE . 30770 1 66 313 LYS . 30770 1 67 314 HIS . 30770 1 68 315 PRO . 30770 1 69 316 ASN . 30770 1 70 317 LEU . 30770 1 71 318 VAL . 30770 1 72 319 GLN . 30770 1 73 320 LEU . 30770 1 74 321 LEU . 30770 1 75 322 GLY . 30770 1 76 323 VAL . 30770 1 77 324 CYS . 30770 1 78 325 THR . 30770 1 79 326 ARG . 30770 1 80 327 GLU . 30770 1 81 328 PRO . 30770 1 82 329 PRO . 30770 1 83 330 PHE . 30770 1 84 331 TYR . 30770 1 85 332 ILE . 30770 1 86 333 ILE . 30770 1 87 334 THR . 30770 1 88 335 GLU . 30770 1 89 336 PHE . 30770 1 90 337 MET . 30770 1 91 338 THR . 30770 1 92 339 TYR . 30770 1 93 340 GLY . 30770 1 94 341 ASN . 30770 1 95 342 LEU . 30770 1 96 343 LEU . 30770 1 97 344 ASP . 30770 1 98 345 TYR . 30770 1 99 346 LEU . 30770 1 100 347 ARG . 30770 1 101 348 GLU . 30770 1 102 349 CYS . 30770 1 103 350 ASN . 30770 1 104 351 ARG . 30770 1 105 352 GLN . 30770 1 106 353 GLU . 30770 1 107 354 VAL . 30770 1 108 355 ASN . 30770 1 109 356 ALA . 30770 1 110 357 VAL . 30770 1 111 358 VAL . 30770 1 112 359 LEU . 30770 1 113 360 LEU . 30770 1 114 361 TYR . 30770 1 115 362 MET . 30770 1 116 363 ALA . 30770 1 117 364 THR . 30770 1 118 365 GLN . 30770 1 119 366 ILE . 30770 1 120 367 SER . 30770 1 121 368 SER . 30770 1 122 369 ALA . 30770 1 123 370 MET . 30770 1 124 371 GLU . 30770 1 125 372 TYR . 30770 1 126 373 LEU . 30770 1 127 374 GLU . 30770 1 128 375 LYS . 30770 1 129 376 LYS . 30770 1 130 377 ASN . 30770 1 131 378 PHE . 30770 1 132 379 ILE . 30770 1 133 380 HIS . 30770 1 134 381 ARG . 30770 1 135 382 ASP . 30770 1 136 383 LEU . 30770 1 137 384 ALA . 30770 1 138 385 ALA . 30770 1 139 386 ARG . 30770 1 140 387 ASN . 30770 1 141 388 CYS . 30770 1 142 389 LEU . 30770 1 143 390 VAL . 30770 1 144 391 GLY . 30770 1 145 392 GLU . 30770 1 146 393 ASN . 30770 1 147 394 HIS . 30770 1 148 395 LEU . 30770 1 149 396 VAL . 30770 1 150 397 LYS . 30770 1 151 398 VAL . 30770 1 152 399 ALA . 30770 1 153 400 ASP . 30770 1 154 401 PHE . 30770 1 155 402 GLY . 30770 1 156 403 LEU . 30770 1 157 404 SER . 30770 1 158 405 ARG . 30770 1 159 406 LEU . 30770 1 160 407 MET . 30770 1 161 408 THR . 30770 1 162 409 GLY . 30770 1 163 410 ASP . 30770 1 164 411 THR . 30770 1 165 412 TYR . 30770 1 166 413 THR . 30770 1 167 414 ALA . 30770 1 168 415 HIS . 30770 1 169 416 ALA . 30770 1 170 417 GLY . 30770 1 171 418 ALA . 30770 1 172 419 LYS . 30770 1 173 420 PHE . 30770 1 174 421 PRO . 30770 1 175 422 ILE . 30770 1 176 423 LYS . 30770 1 177 424 TRP . 30770 1 178 425 THR . 30770 1 179 426 ALA . 30770 1 180 427 PRO . 30770 1 181 428 GLU . 30770 1 182 429 SER . 30770 1 183 430 LEU . 30770 1 184 431 ALA . 30770 1 185 432 TYR . 30770 1 186 433 ASN . 30770 1 187 434 LYS . 30770 1 188 435 PHE . 30770 1 189 436 SER . 30770 1 190 437 ILE . 30770 1 191 438 LYS . 30770 1 192 439 SER . 30770 1 193 440 ASP . 30770 1 194 441 VAL . 30770 1 195 442 TRP . 30770 1 196 443 ALA . 30770 1 197 444 PHE . 30770 1 198 445 GLY . 30770 1 199 446 VAL . 30770 1 200 447 LEU . 30770 1 201 448 LEU . 30770 1 202 449 TRP . 30770 1 203 450 GLU . 30770 1 204 451 ILE . 30770 1 205 452 ALA . 30770 1 206 453 THR . 30770 1 207 454 TYR . 30770 1 208 455 GLY . 30770 1 209 456 MET . 30770 1 210 457 SER . 30770 1 211 458 PRO . 30770 1 212 459 TYR . 30770 1 213 460 PRO . 30770 1 214 461 GLY . 30770 1 215 462 ILE . 30770 1 216 463 ASP . 30770 1 217 464 LEU . 30770 1 218 465 SER . 30770 1 219 466 GLN . 30770 1 220 467 VAL . 30770 1 221 468 TYR . 30770 1 222 469 GLU . 30770 1 223 470 LEU . 30770 1 224 471 LEU . 30770 1 225 472 GLU . 30770 1 226 473 LYS . 30770 1 227 474 ASP . 30770 1 228 475 TYR . 30770 1 229 476 ARG . 30770 1 230 477 MET . 30770 1 231 478 GLU . 30770 1 232 479 ARG . 30770 1 233 480 PRO . 30770 1 234 481 GLU . 30770 1 235 482 GLY . 30770 1 236 483 CYS . 30770 1 237 484 PRO . 30770 1 238 485 GLU . 30770 1 239 486 LYS . 30770 1 240 487 VAL . 30770 1 241 488 TYR . 30770 1 242 489 GLU . 30770 1 243 490 LEU . 30770 1 244 491 MET . 30770 1 245 492 ARG . 30770 1 246 493 ALA . 30770 1 247 494 CYS . 30770 1 248 495 TRP . 30770 1 249 496 GLN . 30770 1 250 497 TRP . 30770 1 251 498 ASN . 30770 1 252 499 PRO . 30770 1 253 500 SER . 30770 1 254 501 ASP . 30770 1 255 502 ARG . 30770 1 256 503 PRO . 30770 1 257 504 SER . 30770 1 258 505 PHE . 30770 1 259 506 ALA . 30770 1 260 507 GLU . 30770 1 261 508 ILE . 30770 1 262 509 HIS . 30770 1 263 510 GLN . 30770 1 264 511 ALA . 30770 1 265 512 PHE . 30770 1 266 513 GLU . 30770 1 267 514 THR . 30770 1 268 515 MET . 30770 1 269 516 PHE . 30770 1 270 517 GLN . 30770 1 271 518 GLU . 30770 1 272 519 SER . 30770 1 273 520 SER . 30770 1 274 521 ILE . 30770 1 275 522 SER . 30770 1 276 523 ASP . 30770 1 277 524 GLU . 30770 1 278 525 VAL . 30770 1 279 526 GLU . 30770 1 280 527 LYS . 30770 1 281 528 GLU . 30770 1 282 529 LEU . 30770 1 283 530 GLY . 30770 1 284 531 LYS . 30770 1 285 532 GLN . 30770 1 286 533 GLY . 30770 1 287 534 VAL . 30770 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 30770 1 . PRO 2 2 30770 1 . ASN 3 3 30770 1 . TYR 4 4 30770 1 . ASP 5 5 30770 1 . LYS 6 6 30770 1 . TRP 7 7 30770 1 . GLU 8 8 30770 1 . MET 9 9 30770 1 . GLU 10 10 30770 1 . ARG 11 11 30770 1 . THR 12 12 30770 1 . ASP 13 13 30770 1 . ILE 14 14 30770 1 . THR 15 15 30770 1 . MET 16 16 30770 1 . LYS 17 17 30770 1 . HIS 18 18 30770 1 . LYS 19 19 30770 1 . LEU 20 20 30770 1 . GLY 21 21 30770 1 . GLY 22 22 30770 1 . GLY 23 23 30770 1 . GLN 24 24 30770 1 . TYR 25 25 30770 1 . GLY 26 26 30770 1 . GLU 27 27 30770 1 . VAL 28 28 30770 1 . TYR 29 29 30770 1 . GLU 30 30 30770 1 . GLY 31 31 30770 1 . VAL 32 32 30770 1 . TRP 33 33 30770 1 . LYS 34 34 30770 1 . LYS 35 35 30770 1 . TYR 36 36 30770 1 . SER 37 37 30770 1 . LEU 38 38 30770 1 . THR 39 39 30770 1 . VAL 40 40 30770 1 . ALA 41 41 30770 1 . VAL 42 42 30770 1 . LYS 43 43 30770 1 . THR 44 44 30770 1 . LEU 45 45 30770 1 . LYS 46 46 30770 1 . GLU 47 47 30770 1 . ASP 48 48 30770 1 . THR 49 49 30770 1 . MET 50 50 30770 1 . GLU 51 51 30770 1 . VAL 52 52 30770 1 . GLU 53 53 30770 1 . GLU 54 54 30770 1 . PHE 55 55 30770 1 . LEU 56 56 30770 1 . LYS 57 57 30770 1 . GLU 58 58 30770 1 . ALA 59 59 30770 1 . ALA 60 60 30770 1 . VAL 61 61 30770 1 . MET 62 62 30770 1 . LYS 63 63 30770 1 . GLU 64 64 30770 1 . ILE 65 65 30770 1 . LYS 66 66 30770 1 . HIS 67 67 30770 1 . PRO 68 68 30770 1 . ASN 69 69 30770 1 . LEU 70 70 30770 1 . VAL 71 71 30770 1 . GLN 72 72 30770 1 . LEU 73 73 30770 1 . LEU 74 74 30770 1 . GLY 75 75 30770 1 . VAL 76 76 30770 1 . CYS 77 77 30770 1 . THR 78 78 30770 1 . ARG 79 79 30770 1 . GLU 80 80 30770 1 . PRO 81 81 30770 1 . PRO 82 82 30770 1 . PHE 83 83 30770 1 . TYR 84 84 30770 1 . ILE 85 85 30770 1 . ILE 86 86 30770 1 . THR 87 87 30770 1 . GLU 88 88 30770 1 . PHE 89 89 30770 1 . MET 90 90 30770 1 . THR 91 91 30770 1 . TYR 92 92 30770 1 . GLY 93 93 30770 1 . ASN 94 94 30770 1 . LEU 95 95 30770 1 . LEU 96 96 30770 1 . ASP 97 97 30770 1 . TYR 98 98 30770 1 . LEU 99 99 30770 1 . ARG 100 100 30770 1 . GLU 101 101 30770 1 . CYS 102 102 30770 1 . ASN 103 103 30770 1 . ARG 104 104 30770 1 . GLN 105 105 30770 1 . GLU 106 106 30770 1 . VAL 107 107 30770 1 . ASN 108 108 30770 1 . ALA 109 109 30770 1 . VAL 110 110 30770 1 . VAL 111 111 30770 1 . LEU 112 112 30770 1 . LEU 113 113 30770 1 . TYR 114 114 30770 1 . MET 115 115 30770 1 . ALA 116 116 30770 1 . THR 117 117 30770 1 . GLN 118 118 30770 1 . ILE 119 119 30770 1 . SER 120 120 30770 1 . SER 121 121 30770 1 . ALA 122 122 30770 1 . MET 123 123 30770 1 . GLU 124 124 30770 1 . TYR 125 125 30770 1 . LEU 126 126 30770 1 . GLU 127 127 30770 1 . LYS 128 128 30770 1 . LYS 129 129 30770 1 . ASN 130 130 30770 1 . PHE 131 131 30770 1 . ILE 132 132 30770 1 . HIS 133 133 30770 1 . ARG 134 134 30770 1 . ASP 135 135 30770 1 . LEU 136 136 30770 1 . ALA 137 137 30770 1 . ALA 138 138 30770 1 . ARG 139 139 30770 1 . ASN 140 140 30770 1 . CYS 141 141 30770 1 . LEU 142 142 30770 1 . VAL 143 143 30770 1 . GLY 144 144 30770 1 . GLU 145 145 30770 1 . ASN 146 146 30770 1 . HIS 147 147 30770 1 . LEU 148 148 30770 1 . VAL 149 149 30770 1 . LYS 150 150 30770 1 . VAL 151 151 30770 1 . ALA 152 152 30770 1 . ASP 153 153 30770 1 . PHE 154 154 30770 1 . GLY 155 155 30770 1 . LEU 156 156 30770 1 . SER 157 157 30770 1 . ARG 158 158 30770 1 . LEU 159 159 30770 1 . MET 160 160 30770 1 . THR 161 161 30770 1 . GLY 162 162 30770 1 . ASP 163 163 30770 1 . THR 164 164 30770 1 . TYR 165 165 30770 1 . THR 166 166 30770 1 . ALA 167 167 30770 1 . HIS 168 168 30770 1 . ALA 169 169 30770 1 . GLY 170 170 30770 1 . ALA 171 171 30770 1 . LYS 172 172 30770 1 . PHE 173 173 30770 1 . PRO 174 174 30770 1 . ILE 175 175 30770 1 . LYS 176 176 30770 1 . TRP 177 177 30770 1 . THR 178 178 30770 1 . ALA 179 179 30770 1 . PRO 180 180 30770 1 . GLU 181 181 30770 1 . SER 182 182 30770 1 . LEU 183 183 30770 1 . ALA 184 184 30770 1 . TYR 185 185 30770 1 . ASN 186 186 30770 1 . LYS 187 187 30770 1 . PHE 188 188 30770 1 . SER 189 189 30770 1 . ILE 190 190 30770 1 . LYS 191 191 30770 1 . SER 192 192 30770 1 . ASP 193 193 30770 1 . VAL 194 194 30770 1 . TRP 195 195 30770 1 . ALA 196 196 30770 1 . PHE 197 197 30770 1 . GLY 198 198 30770 1 . VAL 199 199 30770 1 . LEU 200 200 30770 1 . LEU 201 201 30770 1 . TRP 202 202 30770 1 . GLU 203 203 30770 1 . ILE 204 204 30770 1 . ALA 205 205 30770 1 . THR 206 206 30770 1 . TYR 207 207 30770 1 . GLY 208 208 30770 1 . MET 209 209 30770 1 . SER 210 210 30770 1 . PRO 211 211 30770 1 . TYR 212 212 30770 1 . PRO 213 213 30770 1 . GLY 214 214 30770 1 . ILE 215 215 30770 1 . ASP 216 216 30770 1 . LEU 217 217 30770 1 . SER 218 218 30770 1 . GLN 219 219 30770 1 . VAL 220 220 30770 1 . TYR 221 221 30770 1 . GLU 222 222 30770 1 . LEU 223 223 30770 1 . LEU 224 224 30770 1 . GLU 225 225 30770 1 . LYS 226 226 30770 1 . ASP 227 227 30770 1 . TYR 228 228 30770 1 . ARG 229 229 30770 1 . MET 230 230 30770 1 . GLU 231 231 30770 1 . ARG 232 232 30770 1 . PRO 233 233 30770 1 . GLU 234 234 30770 1 . GLY 235 235 30770 1 . CYS 236 236 30770 1 . PRO 237 237 30770 1 . GLU 238 238 30770 1 . LYS 239 239 30770 1 . VAL 240 240 30770 1 . TYR 241 241 30770 1 . GLU 242 242 30770 1 . LEU 243 243 30770 1 . MET 244 244 30770 1 . ARG 245 245 30770 1 . ALA 246 246 30770 1 . CYS 247 247 30770 1 . TRP 248 248 30770 1 . GLN 249 249 30770 1 . TRP 250 250 30770 1 . ASN 251 251 30770 1 . PRO 252 252 30770 1 . SER 253 253 30770 1 . ASP 254 254 30770 1 . ARG 255 255 30770 1 . PRO 256 256 30770 1 . SER 257 257 30770 1 . PHE 258 258 30770 1 . ALA 259 259 30770 1 . GLU 260 260 30770 1 . ILE 261 261 30770 1 . HIS 262 262 30770 1 . GLN 263 263 30770 1 . ALA 264 264 30770 1 . PHE 265 265 30770 1 . GLU 266 266 30770 1 . THR 267 267 30770 1 . MET 268 268 30770 1 . PHE 269 269 30770 1 . GLN 270 270 30770 1 . GLU 271 271 30770 1 . SER 272 272 30770 1 . SER 273 273 30770 1 . ILE 274 274 30770 1 . SER 275 275 30770 1 . ASP 276 276 30770 1 . GLU 277 277 30770 1 . VAL 278 278 30770 1 . GLU 279 279 30770 1 . LYS 280 280 30770 1 . GLU 281 281 30770 1 . LEU 282 282 30770 1 . GLY 283 283 30770 1 . LYS 284 284 30770 1 . GLN 285 285 30770 1 . GLY 286 286 30770 1 . VAL 287 287 30770 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 30770 _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' . 30770 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 30770 _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' . . 562 Escherichia coli . . . . . . . . . . 30770 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30770 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM [U-15N] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-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 isoform (Active)' [U-15N] . . 1 $entity_1 . . 250 . . uM . . . . 30770 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30770 1 3 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30770 1 4 b-mercaptoethanol 'natural abundance' . . . . . . 2.5 . . mM . . . . 30770 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30770 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 250 uM [U-100% 13C; U-100% 15N; U-100% 2H] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-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 isoform (Active)' '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $entity_1 . . 250 . . uM . . . . 30770 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30770 2 3 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30770 2 4 b-mercaptoethanol 'natural abundance' . . . . . . 2.5 . . mM . . . . 30770 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 30770 _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 30770 1 pH 7.1 . pH 30770 1 pressure 1 . atm 30770 1 temperature 283 . K 30770 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30770 _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' . . 30770 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30770 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30770 _Software.ID 2 _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' . . 30770 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 30770 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30770 _Software.ID 3 _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' . . 30770 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30770 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30770 _Software.ID 4 _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' . . 30770 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30770 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30770 _Software.ID 5 _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 . . 30770 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30770 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30770 _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' . . 30770 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30770 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30770 _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' . . 30770 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30770 7 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 30770 _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 30770 _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 30770 _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 . . . 30770 1 2 NMR_spectrometer_2 Bruker AVANCE . 850 . . . 30770 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 30770 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30770 1 2 '2D hmqc methyl' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30770 1 3 '2D 15N trosy' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30770 1 4 '3D 1H-13C sofast NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30770 1 5 '3D 1H-13C sofast NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30770 1 6 '3D HMBC-HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30770 1 7 '3D 15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30770 1 8 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30770 1 9 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30770 1 10 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30770 1 11 '3D CCH_NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30770 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 30770 _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 . . . . . 30770 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30770 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30770 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 30770 _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' . . . 30770 1 2 '2D hmqc methyl' . . . 30770 1 3 '2D 15N trosy' . . . 30770 1 4 '3D 1H-13C sofast NOESY aliphatic' . . . 30770 1 5 '3D 1H-13C sofast NOESY aromatic' . . . 30770 1 6 '3D HMBC-HMQC' . . . 30770 1 7 '3D 15N NOESY' . . . 30770 1 8 '3D HNCO' . . . 30770 1 9 '3D HNCA' . . . 30770 1 10 '3D HNCACB' . . . 30770 1 11 '3D CCH_NOESY' . . . 30770 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 1 1 SER N N 15 116.670 0.00 . . . . . . A 248 SER N . 30770 1 2 . 1 . 1 3 3 ASN H H 1 8.270 0.00 . . . . . . A 250 ASN H . 30770 1 3 . 1 . 1 3 3 ASN N N 15 118.379 0.00 . . . . . . A 250 ASN N . 30770 1 4 . 1 . 1 4 4 TYR H H 1 8.078 0.00 . . . . . . A 251 TYR H . 30770 1 5 . 1 . 1 4 4 TYR N N 15 121.344 0.00 . . . . . . A 251 TYR N . 30770 1 6 . 1 . 1 5 5 ASP H H 1 8.186 0.00 . . . . . . A 252 ASP H . 30770 1 7 . 1 . 1 5 5 ASP N N 15 123.671 0.00 . . . . . . A 252 ASP N . 30770 1 8 . 1 . 1 6 6 LYS H H 1 8.284 0.00 . . . . . . A 253 LYS H . 30770 1 9 . 1 . 1 6 6 LYS N N 15 119.732 0.00 . . . . . . A 253 LYS N . 30770 1 10 . 1 . 1 7 7 TRP H H 1 8.134 0.00 . . . . . . A 254 TRP H . 30770 1 11 . 1 . 1 7 7 TRP HE1 H 1 10.437 0.00 . . . . . . A 254 TRP HE1 . 30770 1 12 . 1 . 1 7 7 TRP N N 15 119.560 0.00 . . . . . . A 254 TRP N . 30770 1 13 . 1 . 1 7 7 TRP NE1 N 15 129.408 0.00 . . . . . . A 254 TRP NE1 . 30770 1 14 . 1 . 1 8 8 GLU H H 1 7.380 0.00 . . . . . . A 255 GLU H . 30770 1 15 . 1 . 1 8 8 GLU N N 15 120.398 0.00 . . . . . . A 255 GLU N . 30770 1 16 . 1 . 1 9 9 MET H H 1 9.126 0.00 . . . . . . A 256 MET H . 30770 1 17 . 1 . 1 9 9 MET HE1 H 1 0.756 0.00 . . . . . . A 256 MET HE1 . 30770 1 18 . 1 . 1 9 9 MET HE2 H 1 0.756 0.00 . . . . . . A 256 MET HE2 . 30770 1 19 . 1 . 1 9 9 MET HE3 H 1 0.756 0.00 . . . . . . A 256 MET HE3 . 30770 1 20 . 1 . 1 9 9 MET CE C 13 15.719 0.00 . . . . . . A 256 MET CE . 30770 1 21 . 1 . 1 9 9 MET N N 15 127.596 0.00 . . . . . . A 256 MET N . 30770 1 22 . 1 . 1 10 10 GLU H H 1 8.673 0.00 . . . . . . A 257 GLU H . 30770 1 23 . 1 . 1 10 10 GLU N N 15 122.349 0.00 . . . . . . A 257 GLU N . 30770 1 24 . 1 . 1 11 11 ARG H H 1 8.985 0.00 . . . . . . A 258 ARG H . 30770 1 25 . 1 . 1 11 11 ARG N N 15 127.344 0.00 . . . . . . A 258 ARG N . 30770 1 26 . 1 . 1 12 12 THR H H 1 7.755 0.00 . . . . . . A 259 THR H . 30770 1 27 . 1 . 1 12 12 THR HG21 H 1 1.248 0.00 . . . . . . A 259 THR HG21 . 30770 1 28 . 1 . 1 12 12 THR HG22 H 1 1.248 0.00 . . . . . . A 259 THR HG22 . 30770 1 29 . 1 . 1 12 12 THR HG23 H 1 1.248 0.00 . . . . . . A 259 THR HG23 . 30770 1 30 . 1 . 1 12 12 THR CG2 C 13 21.808 0.00 . . . . . . A 259 THR CG2 . 30770 1 31 . 1 . 1 12 12 THR N N 15 106.153 0.00 . . . . . . A 259 THR N . 30770 1 32 . 1 . 1 13 13 ASP H H 1 7.927 0.00 . . . . . . A 260 ASP H . 30770 1 33 . 1 . 1 13 13 ASP N N 15 120.683 0.00 . . . . . . A 260 ASP N . 30770 1 34 . 1 . 1 14 14 ILE H H 1 7.531 0.00 . . . . . . A 261 ILE H . 30770 1 35 . 1 . 1 14 14 ILE HD11 H 1 0.451 0.00 . . . . . . A 261 ILE HD11 . 30770 1 36 . 1 . 1 14 14 ILE HD12 H 1 0.451 0.00 . . . . . . A 261 ILE HD12 . 30770 1 37 . 1 . 1 14 14 ILE HD13 H 1 0.451 0.00 . . . . . . A 261 ILE HD13 . 30770 1 38 . 1 . 1 14 14 ILE CD1 C 13 11.506 0.00 . . . . . . A 261 ILE CD1 . 30770 1 39 . 1 . 1 14 14 ILE N N 15 119.965 0.00 . . . . . . A 261 ILE N . 30770 1 40 . 1 . 1 15 15 THR H H 1 8.943 0.00 . . . . . . A 262 THR H . 30770 1 41 . 1 . 1 15 15 THR HG21 H 1 1.087 0.00 . . . . . . A 262 THR HG21 . 30770 1 42 . 1 . 1 15 15 THR HG22 H 1 1.087 0.00 . . . . . . A 262 THR HG22 . 30770 1 43 . 1 . 1 15 15 THR HG23 H 1 1.087 0.00 . . . . . . A 262 THR HG23 . 30770 1 44 . 1 . 1 15 15 THR CG2 C 13 21.717 0.00 . . . . . . A 262 THR CG2 . 30770 1 45 . 1 . 1 15 15 THR N N 15 123.285 0.00 . . . . . . A 262 THR N . 30770 1 46 . 1 . 1 16 16 MET H H 1 8.911 0.00 . . . . . . A 263 MET H . 30770 1 47 . 1 . 1 16 16 MET HE1 H 1 1.183 0.00 . . . . . . A 263 MET HE1 . 30770 1 48 . 1 . 1 16 16 MET HE2 H 1 1.183 0.00 . . . . . . A 263 MET HE2 . 30770 1 49 . 1 . 1 16 16 MET HE3 H 1 1.183 0.00 . . . . . . A 263 MET HE3 . 30770 1 50 . 1 . 1 16 16 MET CE C 13 17.415 0.00 . . . . . . A 263 MET CE . 30770 1 51 . 1 . 1 16 16 MET N N 15 126.238 0.00 . . . . . . A 263 MET N . 30770 1 52 . 1 . 1 17 17 LYS H H 1 8.901 0.00 . . . . . . A 264 LYS H . 30770 1 53 . 1 . 1 17 17 LYS N N 15 123.806 0.00 . . . . . . A 264 LYS N . 30770 1 54 . 1 . 1 20 20 LEU HD11 H 1 0.895 0.00 . . . . . . A 267 LEU HD11 . 30770 1 55 . 1 . 1 20 20 LEU HD12 H 1 0.895 0.00 . . . . . . A 267 LEU HD12 . 30770 1 56 . 1 . 1 20 20 LEU HD13 H 1 0.895 0.00 . . . . . . A 267 LEU HD13 . 30770 1 57 . 1 . 1 20 20 LEU HD21 H 1 0.960 0.00 . . . . . . A 267 LEU HD21 . 30770 1 58 . 1 . 1 20 20 LEU HD22 H 1 0.960 0.00 . . . . . . A 267 LEU HD22 . 30770 1 59 . 1 . 1 20 20 LEU HD23 H 1 0.960 0.00 . . . . . . A 267 LEU HD23 . 30770 1 60 . 1 . 1 20 20 LEU CD1 C 13 25.143 0.00 . . . . . . A 267 LEU CD1 . 30770 1 61 . 1 . 1 20 20 LEU CD2 C 13 23.144 0.00 . . . . . . A 267 LEU CD2 . 30770 1 62 . 1 . 1 22 22 GLY H H 1 8.419 0.00 . . . . . . A 269 GLY H . 30770 1 63 . 1 . 1 22 22 GLY N N 15 108.031 0.00 . . . . . . A 269 GLY N . 30770 1 64 . 1 . 1 23 23 GLY H H 1 8.106 0.00 . . . . . . A 270 GLY H . 30770 1 65 . 1 . 1 23 23 GLY N N 15 108.497 0.00 . . . . . . A 270 GLY N . 30770 1 66 . 1 . 1 26 26 GLY H H 1 7.176 0.00 . . . . . . A 273 GLY H . 30770 1 67 . 1 . 1 26 26 GLY N N 15 105.958 0.00 . . . . . . A 273 GLY N . 30770 1 68 . 1 . 1 28 28 VAL HG11 H 1 0.864 0.00 . . . . . . A 275 VAL HG11 . 30770 1 69 . 1 . 1 28 28 VAL HG12 H 1 0.864 0.00 . . . . . . A 275 VAL HG12 . 30770 1 70 . 1 . 1 28 28 VAL HG13 H 1 0.864 0.00 . . . . . . A 275 VAL HG13 . 30770 1 71 . 1 . 1 28 28 VAL HG21 H 1 0.860 0.00 . . . . . . A 275 VAL HG21 . 30770 1 72 . 1 . 1 28 28 VAL HG22 H 1 0.860 0.00 . . . . . . A 275 VAL HG22 . 30770 1 73 . 1 . 1 28 28 VAL HG23 H 1 0.860 0.00 . . . . . . A 275 VAL HG23 . 30770 1 74 . 1 . 1 28 28 VAL CG1 C 13 21.588 0.00 . . . . . . A 275 VAL CG1 . 30770 1 75 . 1 . 1 28 28 VAL CG2 C 13 21.184 0.00 . . . . . . A 275 VAL CG2 . 30770 1 76 . 1 . 1 31 31 GLY H H 1 8.961 0.00 . . . . . . A 278 GLY H . 30770 1 77 . 1 . 1 31 31 GLY N N 15 114.148 0.00 . . . . . . A 278 GLY N . 30770 1 78 . 1 . 1 32 32 VAL H H 1 8.729 0.00 . . . . . . A 279 VAL H . 30770 1 79 . 1 . 1 32 32 VAL HG11 H 1 0.762 0.00 . . . . . . A 279 VAL HG11 . 30770 1 80 . 1 . 1 32 32 VAL HG12 H 1 0.762 0.00 . . . . . . A 279 VAL HG12 . 30770 1 81 . 1 . 1 32 32 VAL HG13 H 1 0.762 0.00 . . . . . . A 279 VAL HG13 . 30770 1 82 . 1 . 1 32 32 VAL HG21 H 1 0.657 0.00 . . . . . . A 279 VAL HG21 . 30770 1 83 . 1 . 1 32 32 VAL HG22 H 1 0.657 0.00 . . . . . . A 279 VAL HG22 . 30770 1 84 . 1 . 1 32 32 VAL HG23 H 1 0.657 0.00 . . . . . . A 279 VAL HG23 . 30770 1 85 . 1 . 1 32 32 VAL CG1 C 13 21.417 0.00 . . . . . . A 279 VAL CG1 . 30770 1 86 . 1 . 1 32 32 VAL CG2 C 13 20.396 0.00 . . . . . . A 279 VAL CG2 . 30770 1 87 . 1 . 1 32 32 VAL N N 15 117.916 0.00 . . . . . . A 279 VAL N . 30770 1 88 . 1 . 1 33 33 TRP H H 1 9.647 0.00 . . . . . . A 280 TRP H . 30770 1 89 . 1 . 1 33 33 TRP HE1 H 1 10.732 0.00 . . . . . . A 280 TRP HE1 . 30770 1 90 . 1 . 1 33 33 TRP N N 15 129.506 0.00 . . . . . . A 280 TRP N . 30770 1 91 . 1 . 1 33 33 TRP NE1 N 15 129.145 0.00 . . . . . . A 280 TRP NE1 . 30770 1 92 . 1 . 1 34 34 LYS H H 1 8.925 0.00 . . . . . . A 281 LYS H . 30770 1 93 . 1 . 1 34 34 LYS N N 15 128.850 0.00 . . . . . . A 281 LYS N . 30770 1 94 . 1 . 1 36 36 TYR H H 1 5.994 0.00 . . . . . . A 283 TYR H . 30770 1 95 . 1 . 1 36 36 TYR N N 15 112.197 0.00 . . . . . . A 283 TYR N . 30770 1 96 . 1 . 1 37 37 SER H H 1 7.718 0.00 . . . . . . A 284 SER H . 30770 1 97 . 1 . 1 37 37 SER N N 15 115.449 0.00 . . . . . . A 284 SER N . 30770 1 98 . 1 . 1 38 38 LEU H H 1 7.092 0.00 . . . . . . A 285 LEU H . 30770 1 99 . 1 . 1 38 38 LEU HD11 H 1 0.933 0.00 . . . . . . A 285 LEU HD11 . 30770 1 100 . 1 . 1 38 38 LEU HD12 H 1 0.933 0.00 . . . . . . A 285 LEU HD12 . 30770 1 101 . 1 . 1 38 38 LEU HD13 H 1 0.933 0.00 . . . . . . A 285 LEU HD13 . 30770 1 102 . 1 . 1 38 38 LEU HD21 H 1 0.980 0.00 . . . . . . A 285 LEU HD21 . 30770 1 103 . 1 . 1 38 38 LEU HD22 H 1 0.980 0.00 . . . . . . A 285 LEU HD22 . 30770 1 104 . 1 . 1 38 38 LEU HD23 H 1 0.980 0.00 . . . . . . A 285 LEU HD23 . 30770 1 105 . 1 . 1 38 38 LEU CD1 C 13 25.446 0.00 . . . . . . A 285 LEU CD1 . 30770 1 106 . 1 . 1 38 38 LEU CD2 C 13 23.444 0.00 . . . . . . A 285 LEU CD2 . 30770 1 107 . 1 . 1 38 38 LEU N N 15 119.683 0.00 . . . . . . A 285 LEU N . 30770 1 108 . 1 . 1 39 39 THR H H 1 8.996 0.00 . . . . . . A 286 THR H . 30770 1 109 . 1 . 1 39 39 THR HG21 H 1 0.593 0.00 . . . . . . A 286 THR HG21 . 30770 1 110 . 1 . 1 39 39 THR HG22 H 1 0.593 0.00 . . . . . . A 286 THR HG22 . 30770 1 111 . 1 . 1 39 39 THR HG23 H 1 0.593 0.00 . . . . . . A 286 THR HG23 . 30770 1 112 . 1 . 1 39 39 THR CG2 C 13 21.766 0.00 . . . . . . A 286 THR CG2 . 30770 1 113 . 1 . 1 39 39 THR N N 15 126.064 0.00 . . . . . . A 286 THR N . 30770 1 114 . 1 . 1 40 40 VAL H H 1 8.623 0.00 . . . . . . A 287 VAL H . 30770 1 115 . 1 . 1 40 40 VAL HG11 H 1 0.859 0.00 . . . . . . A 287 VAL HG11 . 30770 1 116 . 1 . 1 40 40 VAL HG12 H 1 0.859 0.00 . . . . . . A 287 VAL HG12 . 30770 1 117 . 1 . 1 40 40 VAL HG13 H 1 0.859 0.00 . . . . . . A 287 VAL HG13 . 30770 1 118 . 1 . 1 40 40 VAL HG21 H 1 0.337 0.00 . . . . . . A 287 VAL HG21 . 30770 1 119 . 1 . 1 40 40 VAL HG22 H 1 0.337 0.00 . . . . . . A 287 VAL HG22 . 30770 1 120 . 1 . 1 40 40 VAL HG23 H 1 0.337 0.00 . . . . . . A 287 VAL HG23 . 30770 1 121 . 1 . 1 40 40 VAL CG1 C 13 23.481 0.00 . . . . . . A 287 VAL CG1 . 30770 1 122 . 1 . 1 40 40 VAL CG2 C 13 17.250 0.00 . . . . . . A 287 VAL CG2 . 30770 1 123 . 1 . 1 40 40 VAL N N 15 119.254 0.00 . . . . . . A 287 VAL N . 30770 1 124 . 1 . 1 41 41 ALA HB1 H 1 1.256 0.00 . . . . . . A 288 ALA HB1 . 30770 1 125 . 1 . 1 41 41 ALA HB2 H 1 1.256 0.00 . . . . . . A 288 ALA HB2 . 30770 1 126 . 1 . 1 41 41 ALA HB3 H 1 1.256 0.00 . . . . . . A 288 ALA HB3 . 30770 1 127 . 1 . 1 41 41 ALA CB C 13 20.448 0.00 . . . . . . A 288 ALA CB . 30770 1 128 . 1 . 1 42 42 VAL HG11 H 1 0.060 0.00 . . . . . . A 289 VAL HG11 . 30770 1 129 . 1 . 1 42 42 VAL HG12 H 1 0.060 0.00 . . . . . . A 289 VAL HG12 . 30770 1 130 . 1 . 1 42 42 VAL HG13 H 1 0.060 0.00 . . . . . . A 289 VAL HG13 . 30770 1 131 . 1 . 1 42 42 VAL HG21 H 1 0.480 0.00 . . . . . . A 289 VAL HG21 . 30770 1 132 . 1 . 1 42 42 VAL HG22 H 1 0.480 0.00 . . . . . . A 289 VAL HG22 . 30770 1 133 . 1 . 1 42 42 VAL HG23 H 1 0.480 0.00 . . . . . . A 289 VAL HG23 . 30770 1 134 . 1 . 1 42 42 VAL CG1 C 13 20.711 0.00 . . . . . . A 289 VAL CG1 . 30770 1 135 . 1 . 1 42 42 VAL CG2 C 13 20.183 0.00 . . . . . . A 289 VAL CG2 . 30770 1 136 . 1 . 1 44 44 THR HG21 H 1 1.124 0.00 . . . . . . A 291 THR HG21 . 30770 1 137 . 1 . 1 44 44 THR HG22 H 1 1.124 0.00 . . . . . . A 291 THR HG22 . 30770 1 138 . 1 . 1 44 44 THR HG23 H 1 1.124 0.00 . . . . . . A 291 THR HG23 . 30770 1 139 . 1 . 1 44 44 THR CG2 C 13 21.174 0.00 . . . . . . A 291 THR CG2 . 30770 1 140 . 1 . 1 45 45 LEU HD11 H 1 0.627 0.00 . . . . . . A 292 LEU HD11 . 30770 1 141 . 1 . 1 45 45 LEU HD12 H 1 0.627 0.00 . . . . . . A 292 LEU HD12 . 30770 1 142 . 1 . 1 45 45 LEU HD13 H 1 0.627 0.00 . . . . . . A 292 LEU HD13 . 30770 1 143 . 1 . 1 45 45 LEU HD21 H 1 0.731 0.00 . . . . . . A 292 LEU HD21 . 30770 1 144 . 1 . 1 45 45 LEU HD22 H 1 0.731 0.00 . . . . . . A 292 LEU HD22 . 30770 1 145 . 1 . 1 45 45 LEU HD23 H 1 0.731 0.00 . . . . . . A 292 LEU HD23 . 30770 1 146 . 1 . 1 45 45 LEU CD1 C 13 25.734 0.00 . . . . . . A 292 LEU CD1 . 30770 1 147 . 1 . 1 45 45 LEU CD2 C 13 24.112 0.00 . . . . . . A 292 LEU CD2 . 30770 1 148 . 1 . 1 46 46 LYS H H 1 8.557 0.00 . . . . . . A 293 LYS H . 30770 1 149 . 1 . 1 46 46 LYS N N 15 126.555 0.00 . . . . . . A 293 LYS N . 30770 1 150 . 1 . 1 47 47 GLU H H 1 8.620 0.00 . . . . . . A 294 GLU H . 30770 1 151 . 1 . 1 47 47 GLU N N 15 122.955 0.00 . . . . . . A 294 GLU N . 30770 1 152 . 1 . 1 48 48 ASP H H 1 8.506 0.00 . . . . . . A 295 ASP H . 30770 1 153 . 1 . 1 48 48 ASP N N 15 117.130 0.00 . . . . . . A 295 ASP N . 30770 1 154 . 1 . 1 49 49 THR H H 1 7.636 0.00 . . . . . . A 296 THR H . 30770 1 155 . 1 . 1 49 49 THR HG21 H 1 1.154 0.00 . . . . . . A 296 THR HG21 . 30770 1 156 . 1 . 1 49 49 THR HG22 H 1 1.154 0.00 . . . . . . A 296 THR HG22 . 30770 1 157 . 1 . 1 49 49 THR HG23 H 1 1.154 0.00 . . . . . . A 296 THR HG23 . 30770 1 158 . 1 . 1 49 49 THR CG2 C 13 21.663 0.00 . . . . . . A 296 THR CG2 . 30770 1 159 . 1 . 1 49 49 THR N N 15 111.805 0.00 . . . . . . A 296 THR N . 30770 1 160 . 1 . 1 50 50 MET HE1 H 1 2.019 0.00 . . . . . . A 297 MET HE1 . 30770 1 161 . 1 . 1 50 50 MET HE2 H 1 2.019 0.00 . . . . . . A 297 MET HE2 . 30770 1 162 . 1 . 1 50 50 MET HE3 H 1 2.019 0.00 . . . . . . A 297 MET HE3 . 30770 1 163 . 1 . 1 50 50 MET CE C 13 16.806 0.00 . . . . . . A 297 MET CE . 30770 1 164 . 1 . 1 52 52 VAL HG11 H 1 0.843 0.00 . . . . . . A 299 VAL HG11 . 30770 1 165 . 1 . 1 52 52 VAL HG12 H 1 0.843 0.00 . . . . . . A 299 VAL HG12 . 30770 1 166 . 1 . 1 52 52 VAL HG13 H 1 0.843 0.00 . . . . . . A 299 VAL HG13 . 30770 1 167 . 1 . 1 52 52 VAL HG21 H 1 0.750 0.00 . . . . . . A 299 VAL HG21 . 30770 1 168 . 1 . 1 52 52 VAL HG22 H 1 0.750 0.00 . . . . . . A 299 VAL HG22 . 30770 1 169 . 1 . 1 52 52 VAL HG23 H 1 0.750 0.00 . . . . . . A 299 VAL HG23 . 30770 1 170 . 1 . 1 52 52 VAL CG1 C 13 21.650 0.00 . . . . . . A 299 VAL CG1 . 30770 1 171 . 1 . 1 52 52 VAL CG2 C 13 20.628 0.00 . . . . . . A 299 VAL CG2 . 30770 1 172 . 1 . 1 55 55 PHE HE1 H 1 6.960 0.00 . . . . . . A 302 PHE HE1 . 30770 1 173 . 1 . 1 55 55 PHE HE2 H 1 6.960 0.00 . . . . . . A 302 PHE HE2 . 30770 1 174 . 1 . 1 55 55 PHE CE1 C 13 128.259 0.00 . . . . . . A 302 PHE CE1 . 30770 1 175 . 1 . 1 55 55 PHE CE2 C 13 128.258 0.00 . . . . . . A 302 PHE CE2 . 30770 1 176 . 1 . 1 56 56 LEU HD11 H 1 0.730 0.00 . . . . . . A 303 LEU HD11 . 30770 1 177 . 1 . 1 56 56 LEU HD12 H 1 0.730 0.00 . . . . . . A 303 LEU HD12 . 30770 1 178 . 1 . 1 56 56 LEU HD13 H 1 0.730 0.00 . . . . . . A 303 LEU HD13 . 30770 1 179 . 1 . 1 56 56 LEU HD21 H 1 0.608 0.00 . . . . . . A 303 LEU HD21 . 30770 1 180 . 1 . 1 56 56 LEU HD22 H 1 0.608 0.00 . . . . . . A 303 LEU HD22 . 30770 1 181 . 1 . 1 56 56 LEU HD23 H 1 0.608 0.00 . . . . . . A 303 LEU HD23 . 30770 1 182 . 1 . 1 56 56 LEU CD1 C 13 25.629 0.00 . . . . . . A 303 LEU CD1 . 30770 1 183 . 1 . 1 56 56 LEU CD2 C 13 21.179 0.00 . . . . . . A 303 LEU CD2 . 30770 1 184 . 1 . 1 59 59 ALA H H 1 6.937 0.00 . . . . . . A 306 ALA H . 30770 1 185 . 1 . 1 59 59 ALA HB1 H 1 1.074 0.00 . . . . . . A 306 ALA HB1 . 30770 1 186 . 1 . 1 59 59 ALA HB2 H 1 1.074 0.00 . . . . . . A 306 ALA HB2 . 30770 1 187 . 1 . 1 59 59 ALA HB3 H 1 1.074 0.00 . . . . . . A 306 ALA HB3 . 30770 1 188 . 1 . 1 59 59 ALA CB C 13 17.336 0.00 . . . . . . A 306 ALA CB . 30770 1 189 . 1 . 1 59 59 ALA N N 15 117.315 0.00 . . . . . . A 306 ALA N . 30770 1 190 . 1 . 1 60 60 ALA HB1 H 1 1.414 0.00 . . . . . . A 307 ALA HB1 . 30770 1 191 . 1 . 1 60 60 ALA HB2 H 1 1.414 0.00 . . . . . . A 307 ALA HB2 . 30770 1 192 . 1 . 1 60 60 ALA HB3 H 1 1.414 0.00 . . . . . . A 307 ALA HB3 . 30770 1 193 . 1 . 1 60 60 ALA CB C 13 18.001 0.00 . . . . . . A 307 ALA CB . 30770 1 194 . 1 . 1 61 61 VAL HG11 H 1 0.946 0.00 . . . . . . A 308 VAL HG11 . 30770 1 195 . 1 . 1 61 61 VAL HG12 H 1 0.946 0.00 . . . . . . A 308 VAL HG12 . 30770 1 196 . 1 . 1 61 61 VAL HG13 H 1 0.946 0.00 . . . . . . A 308 VAL HG13 . 30770 1 197 . 1 . 1 61 61 VAL HG21 H 1 0.629 0.00 . . . . . . A 308 VAL HG21 . 30770 1 198 . 1 . 1 61 61 VAL HG22 H 1 0.629 0.00 . . . . . . A 308 VAL HG22 . 30770 1 199 . 1 . 1 61 61 VAL HG23 H 1 0.629 0.00 . . . . . . A 308 VAL HG23 . 30770 1 200 . 1 . 1 61 61 VAL CG1 C 13 22.177 0.00 . . . . . . A 308 VAL CG1 . 30770 1 201 . 1 . 1 61 61 VAL CG2 C 13 20.639 0.00 . . . . . . A 308 VAL CG2 . 30770 1 202 . 1 . 1 62 62 MET HE1 H 1 1.972 0.00 . . . . . . A 309 MET HE1 . 30770 1 203 . 1 . 1 62 62 MET HE2 H 1 1.972 0.00 . . . . . . A 309 MET HE2 . 30770 1 204 . 1 . 1 62 62 MET HE3 H 1 1.972 0.00 . . . . . . A 309 MET HE3 . 30770 1 205 . 1 . 1 62 62 MET CE C 13 17.869 0.00 . . . . . . A 309 MET CE . 30770 1 206 . 1 . 1 65 65 ILE HD11 H 1 -0.304 0.00 . . . . . . A 312 ILE HD11 . 30770 1 207 . 1 . 1 65 65 ILE HD12 H 1 -0.304 0.00 . . . . . . A 312 ILE HD12 . 30770 1 208 . 1 . 1 65 65 ILE HD13 H 1 -0.304 0.00 . . . . . . A 312 ILE HD13 . 30770 1 209 . 1 . 1 65 65 ILE CD1 C 13 12.513 0.00 . . . . . . A 312 ILE CD1 . 30770 1 210 . 1 . 1 67 67 HIS H H 1 8.759 0.00 . . . . . . A 314 HIS H . 30770 1 211 . 1 . 1 67 67 HIS N N 15 126.776 0.00 . . . . . . A 314 HIS N . 30770 1 212 . 1 . 1 69 69 ASN H H 1 11.333 0.00 . . . . . . A 316 ASN H . 30770 1 213 . 1 . 1 69 69 ASN N N 15 116.909 0.00 . . . . . . A 316 ASN N . 30770 1 214 . 1 . 1 70 70 LEU H H 1 7.714 0.00 . . . . . . A 317 LEU H . 30770 1 215 . 1 . 1 70 70 LEU HD11 H 1 0.688 0.00 . . . . . . A 317 LEU HD11 . 30770 1 216 . 1 . 1 70 70 LEU HD12 H 1 0.688 0.00 . . . . . . A 317 LEU HD12 . 30770 1 217 . 1 . 1 70 70 LEU HD13 H 1 0.688 0.00 . . . . . . A 317 LEU HD13 . 30770 1 218 . 1 . 1 70 70 LEU HD21 H 1 0.993 0.00 . . . . . . A 317 LEU HD21 . 30770 1 219 . 1 . 1 70 70 LEU HD22 H 1 0.993 0.00 . . . . . . A 317 LEU HD22 . 30770 1 220 . 1 . 1 70 70 LEU HD23 H 1 0.993 0.00 . . . . . . A 317 LEU HD23 . 30770 1 221 . 1 . 1 70 70 LEU CD1 C 13 27.323 0.00 . . . . . . A 317 LEU CD1 . 30770 1 222 . 1 . 1 70 70 LEU CD2 C 13 24.762 0.00 . . . . . . A 317 LEU CD2 . 30770 1 223 . 1 . 1 70 70 LEU N N 15 119.106 0.00 . . . . . . A 317 LEU N . 30770 1 224 . 1 . 1 71 71 VAL HG11 H 1 0.958 0.00 . . . . . . A 318 VAL HG11 . 30770 1 225 . 1 . 1 71 71 VAL HG12 H 1 0.958 0.00 . . . . . . A 318 VAL HG12 . 30770 1 226 . 1 . 1 71 71 VAL HG13 H 1 0.958 0.00 . . . . . . A 318 VAL HG13 . 30770 1 227 . 1 . 1 71 71 VAL HG21 H 1 1.004 0.00 . . . . . . A 318 VAL HG21 . 30770 1 228 . 1 . 1 71 71 VAL HG22 H 1 1.004 0.00 . . . . . . A 318 VAL HG22 . 30770 1 229 . 1 . 1 71 71 VAL HG23 H 1 1.004 0.00 . . . . . . A 318 VAL HG23 . 30770 1 230 . 1 . 1 71 71 VAL CG1 C 13 24.042 0.00 . . . . . . A 318 VAL CG1 . 30770 1 231 . 1 . 1 71 71 VAL CG2 C 13 21.481 0.00 . . . . . . A 318 VAL CG2 . 30770 1 232 . 1 . 1 73 73 LEU H H 1 8.790 0.00 . . . . . . A 320 LEU H . 30770 1 233 . 1 . 1 73 73 LEU HD11 H 1 -0.476 0.00 . . . . . . A 320 LEU HD11 . 30770 1 234 . 1 . 1 73 73 LEU HD12 H 1 -0.476 0.00 . . . . . . A 320 LEU HD12 . 30770 1 235 . 1 . 1 73 73 LEU HD13 H 1 -0.476 0.00 . . . . . . A 320 LEU HD13 . 30770 1 236 . 1 . 1 73 73 LEU HD21 H 1 0.802 0.00 . . . . . . A 320 LEU HD21 . 30770 1 237 . 1 . 1 73 73 LEU HD22 H 1 0.802 0.00 . . . . . . A 320 LEU HD22 . 30770 1 238 . 1 . 1 73 73 LEU HD23 H 1 0.802 0.00 . . . . . . A 320 LEU HD23 . 30770 1 239 . 1 . 1 73 73 LEU CD1 C 13 25.958 0.00 . . . . . . A 320 LEU CD1 . 30770 1 240 . 1 . 1 73 73 LEU CD2 C 13 23.722 0.00 . . . . . . A 320 LEU CD2 . 30770 1 241 . 1 . 1 73 73 LEU N N 15 127.525 0.00 . . . . . . A 320 LEU N . 30770 1 242 . 1 . 1 74 74 LEU HD11 H 1 0.847 0.00 . . . . . . A 321 LEU HD11 . 30770 1 243 . 1 . 1 74 74 LEU HD12 H 1 0.847 0.00 . . . . . . A 321 LEU HD12 . 30770 1 244 . 1 . 1 74 74 LEU HD13 H 1 0.847 0.00 . . . . . . A 321 LEU HD13 . 30770 1 245 . 1 . 1 74 74 LEU HD21 H 1 0.893 0.00 . . . . . . A 321 LEU HD21 . 30770 1 246 . 1 . 1 74 74 LEU HD22 H 1 0.893 0.00 . . . . . . A 321 LEU HD22 . 30770 1 247 . 1 . 1 74 74 LEU HD23 H 1 0.893 0.00 . . . . . . A 321 LEU HD23 . 30770 1 248 . 1 . 1 74 74 LEU CD1 C 13 26.468 0.00 . . . . . . A 321 LEU CD1 . 30770 1 249 . 1 . 1 74 74 LEU CD2 C 13 22.084 0.00 . . . . . . A 321 LEU CD2 . 30770 1 250 . 1 . 1 75 75 GLY H H 1 7.988 0.00 . . . . . . A 322 GLY H . 30770 1 251 . 1 . 1 75 75 GLY N N 15 104.736 0.00 . . . . . . A 322 GLY N . 30770 1 252 . 1 . 1 76 76 VAL HG11 H 1 0.814 0.00 . . . . . . A 323 VAL HG11 . 30770 1 253 . 1 . 1 76 76 VAL HG12 H 1 0.814 0.00 . . . . . . A 323 VAL HG12 . 30770 1 254 . 1 . 1 76 76 VAL HG13 H 1 0.814 0.00 . . . . . . A 323 VAL HG13 . 30770 1 255 . 1 . 1 76 76 VAL HG21 H 1 0.663 0.00 . . . . . . A 323 VAL HG21 . 30770 1 256 . 1 . 1 76 76 VAL HG22 H 1 0.663 0.00 . . . . . . A 323 VAL HG22 . 30770 1 257 . 1 . 1 76 76 VAL HG23 H 1 0.663 0.00 . . . . . . A 323 VAL HG23 . 30770 1 258 . 1 . 1 76 76 VAL CG1 C 13 23.678 0.00 . . . . . . A 323 VAL CG1 . 30770 1 259 . 1 . 1 76 76 VAL CG2 C 13 18.580 0.00 . . . . . . A 323 VAL CG2 . 30770 1 260 . 1 . 1 77 77 CYS H H 1 8.821 0.00 . . . . . . A 324 CYS H . 30770 1 261 . 1 . 1 77 77 CYS N N 15 118.733 0.00 . . . . . . A 324 CYS N . 30770 1 262 . 1 . 1 78 78 THR H H 1 11.109 0.00 . . . . . . A 325 THR H . 30770 1 263 . 1 . 1 78 78 THR HG21 H 1 0.904 0.00 . . . . . . A 325 THR HG21 . 30770 1 264 . 1 . 1 78 78 THR HG22 H 1 0.904 0.00 . . . . . . A 325 THR HG22 . 30770 1 265 . 1 . 1 78 78 THR HG23 H 1 0.904 0.00 . . . . . . A 325 THR HG23 . 30770 1 266 . 1 . 1 78 78 THR CG2 C 13 21.375 0.00 . . . . . . A 325 THR CG2 . 30770 1 267 . 1 . 1 78 78 THR N N 15 115.192 0.00 . . . . . . A 325 THR N . 30770 1 268 . 1 . 1 79 79 ARG H H 1 7.425 0.00 . . . . . . A 326 ARG H . 30770 1 269 . 1 . 1 79 79 ARG N N 15 113.762 0.00 . . . . . . A 326 ARG N . 30770 1 270 . 1 . 1 83 83 PHE HE1 H 1 6.890 0.00 . . . . . . A 330 PHE HE1 . 30770 1 271 . 1 . 1 83 83 PHE HE2 H 1 6.890 0.00 . . . . . . A 330 PHE HE2 . 30770 1 272 . 1 . 1 83 83 PHE CE1 C 13 128.557 0.00 . . . . . . A 330 PHE CE1 . 30770 1 273 . 1 . 1 83 83 PHE CE2 C 13 128.557 0.00 . . . . . . A 330 PHE CE2 . 30770 1 274 . 1 . 1 85 85 ILE HD11 H 1 -0.051 0.00 . . . . . . A 332 ILE HD11 . 30770 1 275 . 1 . 1 85 85 ILE HD12 H 1 -0.051 0.00 . . . . . . A 332 ILE HD12 . 30770 1 276 . 1 . 1 85 85 ILE HD13 H 1 -0.051 0.00 . . . . . . A 332 ILE HD13 . 30770 1 277 . 1 . 1 85 85 ILE CD1 C 13 12.555 0.00 . . . . . . A 332 ILE CD1 . 30770 1 278 . 1 . 1 86 86 ILE HD11 H 1 0.735 0.00 . . . . . . A 333 ILE HD11 . 30770 1 279 . 1 . 1 86 86 ILE HD12 H 1 0.735 0.00 . . . . . . A 333 ILE HD12 . 30770 1 280 . 1 . 1 86 86 ILE HD13 H 1 0.735 0.00 . . . . . . A 333 ILE HD13 . 30770 1 281 . 1 . 1 86 86 ILE CD1 C 13 16.310 0.00 . . . . . . A 333 ILE CD1 . 30770 1 282 . 1 . 1 87 87 THR HG21 H 1 0.931 0.00 . . . . . . A 334 THR HG21 . 30770 1 283 . 1 . 1 87 87 THR HG22 H 1 0.931 0.00 . . . . . . A 334 THR HG22 . 30770 1 284 . 1 . 1 87 87 THR HG23 H 1 0.931 0.00 . . . . . . A 334 THR HG23 . 30770 1 285 . 1 . 1 87 87 THR CG2 C 13 20.880 0.00 . . . . . . A 334 THR CG2 . 30770 1 286 . 1 . 1 88 88 GLU H H 1 7.825 0.00 . . . . . . A 335 GLU H . 30770 1 287 . 1 . 1 88 88 GLU N N 15 116.640 0.00 . . . . . . A 335 GLU N . 30770 1 288 . 1 . 1 89 89 PHE HE1 H 1 7.219 0.00 . . . . . . A 336 PHE HE1 . 30770 1 289 . 1 . 1 89 89 PHE HE2 H 1 7.219 0.00 . . . . . . A 336 PHE HE2 . 30770 1 290 . 1 . 1 89 89 PHE CE1 C 13 128.768 0.00 . . . . . . A 336 PHE CE1 . 30770 1 291 . 1 . 1 89 89 PHE CE2 C 13 128.768 0.00 . . . . . . A 336 PHE CE2 . 30770 1 292 . 1 . 1 90 90 MET HE1 H 1 1.523 0.00 . . . . . . A 337 MET HE1 . 30770 1 293 . 1 . 1 90 90 MET HE2 H 1 1.523 0.00 . . . . . . A 337 MET HE2 . 30770 1 294 . 1 . 1 90 90 MET HE3 H 1 1.523 0.00 . . . . . . A 337 MET HE3 . 30770 1 295 . 1 . 1 90 90 MET CE C 13 15.775 0.00 . . . . . . A 337 MET CE . 30770 1 296 . 1 . 1 91 91 THR HG21 H 1 0.673 0.00 . . . . . . A 338 THR HG21 . 30770 1 297 . 1 . 1 91 91 THR HG22 H 1 0.673 0.00 . . . . . . A 338 THR HG22 . 30770 1 298 . 1 . 1 91 91 THR HG23 H 1 0.673 0.00 . . . . . . A 338 THR HG23 . 30770 1 299 . 1 . 1 91 91 THR CG2 C 13 20.998 0.00 . . . . . . A 338 THR CG2 . 30770 1 300 . 1 . 1 93 93 GLY H H 1 6.849 0.00 . . . . . . A 340 GLY H . 30770 1 301 . 1 . 1 93 93 GLY N N 15 103.926 0.00 . . . . . . A 340 GLY N . 30770 1 302 . 1 . 1 95 95 LEU HD11 H 1 0.641 0.00 . . . . . . A 342 LEU HD11 . 30770 1 303 . 1 . 1 95 95 LEU HD12 H 1 0.641 0.00 . . . . . . A 342 LEU HD12 . 30770 1 304 . 1 . 1 95 95 LEU HD13 H 1 0.641 0.00 . . . . . . A 342 LEU HD13 . 30770 1 305 . 1 . 1 95 95 LEU HD21 H 1 0.841 0.00 . . . . . . A 342 LEU HD21 . 30770 1 306 . 1 . 1 95 95 LEU HD22 H 1 0.841 0.00 . . . . . . A 342 LEU HD22 . 30770 1 307 . 1 . 1 95 95 LEU HD23 H 1 0.841 0.00 . . . . . . A 342 LEU HD23 . 30770 1 308 . 1 . 1 95 95 LEU CD1 C 13 25.654 0.00 . . . . . . A 342 LEU CD1 . 30770 1 309 . 1 . 1 95 95 LEU CD2 C 13 23.831 0.00 . . . . . . A 342 LEU CD2 . 30770 1 310 . 1 . 1 96 96 LEU H H 1 7.056 0.00 . . . . . . A 343 LEU H . 30770 1 311 . 1 . 1 96 96 LEU HD11 H 1 1.005 0.00 . . . . . . A 343 LEU HD11 . 30770 1 312 . 1 . 1 96 96 LEU HD12 H 1 1.005 0.00 . . . . . . A 343 LEU HD12 . 30770 1 313 . 1 . 1 96 96 LEU HD13 H 1 1.005 0.00 . . . . . . A 343 LEU HD13 . 30770 1 314 . 1 . 1 96 96 LEU HD21 H 1 1.039 0.00 . . . . . . A 343 LEU HD21 . 30770 1 315 . 1 . 1 96 96 LEU HD22 H 1 1.039 0.00 . . . . . . A 343 LEU HD22 . 30770 1 316 . 1 . 1 96 96 LEU HD23 H 1 1.039 0.00 . . . . . . A 343 LEU HD23 . 30770 1 317 . 1 . 1 96 96 LEU CD1 C 13 25.569 0.00 . . . . . . A 343 LEU CD1 . 30770 1 318 . 1 . 1 96 96 LEU CD2 C 13 23.836 0.00 . . . . . . A 343 LEU CD2 . 30770 1 319 . 1 . 1 96 96 LEU N N 15 120.461 0.00 . . . . . . A 343 LEU N . 30770 1 320 . 1 . 1 99 99 LEU HD11 H 1 0.697 0.00 . . . . . . A 346 LEU HD11 . 30770 1 321 . 1 . 1 99 99 LEU HD12 H 1 0.697 0.00 . . . . . . A 346 LEU HD12 . 30770 1 322 . 1 . 1 99 99 LEU HD13 H 1 0.697 0.00 . . . . . . A 346 LEU HD13 . 30770 1 323 . 1 . 1 99 99 LEU HD21 H 1 0.773 0.00 . . . . . . A 346 LEU HD21 . 30770 1 324 . 1 . 1 99 99 LEU HD22 H 1 0.773 0.00 . . . . . . A 346 LEU HD22 . 30770 1 325 . 1 . 1 99 99 LEU HD23 H 1 0.773 0.00 . . . . . . A 346 LEU HD23 . 30770 1 326 . 1 . 1 99 99 LEU CD1 C 13 27.225 0.00 . . . . . . A 346 LEU CD1 . 30770 1 327 . 1 . 1 99 99 LEU CD2 C 13 22.034 0.00 . . . . . . A 346 LEU CD2 . 30770 1 328 . 1 . 1 101 101 GLU H H 1 7.295 0.00 . . . . . . A 348 GLU H . 30770 1 329 . 1 . 1 101 101 GLU N N 15 114.050 0.00 . . . . . . A 348 GLU N . 30770 1 330 . 1 . 1 102 102 CYS H H 1 7.027 0.00 . . . . . . A 349 CYS H . 30770 1 331 . 1 . 1 102 102 CYS N N 15 116.824 0.00 . . . . . . A 349 CYS N . 30770 1 332 . 1 . 1 103 103 ASN H H 1 8.557 0.00 . . . . . . A 350 ASN H . 30770 1 333 . 1 . 1 103 103 ASN N N 15 118.345 0.00 . . . . . . A 350 ASN N . 30770 1 334 . 1 . 1 104 104 ARG H H 1 8.970 0.00 . . . . . . A 351 ARG H . 30770 1 335 . 1 . 1 104 104 ARG N N 15 127.374 0.00 . . . . . . A 351 ARG N . 30770 1 336 . 1 . 1 105 105 GLN H H 1 7.993 0.00 . . . . . . A 352 GLN H . 30770 1 337 . 1 . 1 105 105 GLN N N 15 116.541 0.00 . . . . . . A 352 GLN N . 30770 1 338 . 1 . 1 106 106 GLU H H 1 7.125 0.00 . . . . . . A 353 GLU H . 30770 1 339 . 1 . 1 106 106 GLU N N 15 118.934 0.00 . . . . . . A 353 GLU N . 30770 1 340 . 1 . 1 107 107 VAL HG11 H 1 0.871 0.00 . . . . . . A 354 VAL HG11 . 30770 1 341 . 1 . 1 107 107 VAL HG12 H 1 0.871 0.00 . . . . . . A 354 VAL HG12 . 30770 1 342 . 1 . 1 107 107 VAL HG13 H 1 0.871 0.00 . . . . . . A 354 VAL HG13 . 30770 1 343 . 1 . 1 107 107 VAL HG21 H 1 0.856 0.00 . . . . . . A 354 VAL HG21 . 30770 1 344 . 1 . 1 107 107 VAL HG22 H 1 0.856 0.00 . . . . . . A 354 VAL HG22 . 30770 1 345 . 1 . 1 107 107 VAL HG23 H 1 0.856 0.00 . . . . . . A 354 VAL HG23 . 30770 1 346 . 1 . 1 107 107 VAL CG1 C 13 21.793 0.00 . . . . . . A 354 VAL CG1 . 30770 1 347 . 1 . 1 107 107 VAL CG2 C 13 21.796 0.00 . . . . . . A 354 VAL CG2 . 30770 1 348 . 1 . 1 108 108 ASN H H 1 6.709 0.00 . . . . . . A 355 ASN H . 30770 1 349 . 1 . 1 108 108 ASN N N 15 119.800 0.00 . . . . . . A 355 ASN N . 30770 1 350 . 1 . 1 109 109 ALA H H 1 8.343 0.00 . . . . . . A 356 ALA H . 30770 1 351 . 1 . 1 109 109 ALA HB1 H 1 1.497 0.00 . . . . . . A 356 ALA HB1 . 30770 1 352 . 1 . 1 109 109 ALA HB2 H 1 1.497 0.00 . . . . . . A 356 ALA HB2 . 30770 1 353 . 1 . 1 109 109 ALA HB3 H 1 1.497 0.00 . . . . . . A 356 ALA HB3 . 30770 1 354 . 1 . 1 109 109 ALA CB C 13 18.400 0.00 . . . . . . A 356 ALA CB . 30770 1 355 . 1 . 1 109 109 ALA N N 15 118.984 0.00 . . . . . . A 356 ALA N . 30770 1 356 . 1 . 1 110 110 VAL H H 1 7.528 0.00 . . . . . . A 357 VAL H . 30770 1 357 . 1 . 1 110 110 VAL HG11 H 1 1.021 0.00 . . . . . . A 357 VAL HG11 . 30770 1 358 . 1 . 1 110 110 VAL HG12 H 1 1.021 0.00 . . . . . . A 357 VAL HG12 . 30770 1 359 . 1 . 1 110 110 VAL HG13 H 1 1.021 0.00 . . . . . . A 357 VAL HG13 . 30770 1 360 . 1 . 1 110 110 VAL HG21 H 1 1.027 0.00 . . . . . . A 357 VAL HG21 . 30770 1 361 . 1 . 1 110 110 VAL HG22 H 1 1.027 0.00 . . . . . . A 357 VAL HG22 . 30770 1 362 . 1 . 1 110 110 VAL HG23 H 1 1.027 0.00 . . . . . . A 357 VAL HG23 . 30770 1 363 . 1 . 1 110 110 VAL CG1 C 13 22.720 0.00 . . . . . . A 357 VAL CG1 . 30770 1 364 . 1 . 1 110 110 VAL CG2 C 13 21.355 0.00 . . . . . . A 357 VAL CG2 . 30770 1 365 . 1 . 1 110 110 VAL N N 15 117.081 0.00 . . . . . . A 357 VAL N . 30770 1 366 . 1 . 1 111 111 VAL H H 1 7.366 0.00 . . . . . . A 358 VAL H . 30770 1 367 . 1 . 1 111 111 VAL HG11 H 1 0.540 0.00 . . . . . . A 358 VAL HG11 . 30770 1 368 . 1 . 1 111 111 VAL HG12 H 1 0.540 0.00 . . . . . . A 358 VAL HG12 . 30770 1 369 . 1 . 1 111 111 VAL HG13 H 1 0.540 0.00 . . . . . . A 358 VAL HG13 . 30770 1 370 . 1 . 1 111 111 VAL HG21 H 1 1.045 0.00 . . . . . . A 358 VAL HG21 . 30770 1 371 . 1 . 1 111 111 VAL HG22 H 1 1.045 0.00 . . . . . . A 358 VAL HG22 . 30770 1 372 . 1 . 1 111 111 VAL HG23 H 1 1.045 0.00 . . . . . . A 358 VAL HG23 . 30770 1 373 . 1 . 1 111 111 VAL CG1 C 13 22.718 0.00 . . . . . . A 358 VAL CG1 . 30770 1 374 . 1 . 1 111 111 VAL CG2 C 13 22.488 0.00 . . . . . . A 358 VAL CG2 . 30770 1 375 . 1 . 1 111 111 VAL N N 15 122.401 0.00 . . . . . . A 358 VAL N . 30770 1 376 . 1 . 1 112 112 LEU H H 1 8.334 0.00 . . . . . . A 359 LEU H . 30770 1 377 . 1 . 1 112 112 LEU HD11 H 1 0.484 0.00 . . . . . . A 359 LEU HD11 . 30770 1 378 . 1 . 1 112 112 LEU HD12 H 1 0.484 0.00 . . . . . . A 359 LEU HD12 . 30770 1 379 . 1 . 1 112 112 LEU HD13 H 1 0.484 0.00 . . . . . . A 359 LEU HD13 . 30770 1 380 . 1 . 1 112 112 LEU HD21 H 1 0.303 0.00 . . . . . . A 359 LEU HD21 . 30770 1 381 . 1 . 1 112 112 LEU HD22 H 1 0.303 0.00 . . . . . . A 359 LEU HD22 . 30770 1 382 . 1 . 1 112 112 LEU HD23 H 1 0.303 0.00 . . . . . . A 359 LEU HD23 . 30770 1 383 . 1 . 1 112 112 LEU CD1 C 13 24.430 0.00 . . . . . . A 359 LEU CD1 . 30770 1 384 . 1 . 1 112 112 LEU CD2 C 13 20.662 0.00 . . . . . . A 359 LEU CD2 . 30770 1 385 . 1 . 1 112 112 LEU N N 15 119.100 0.00 . . . . . . A 359 LEU N . 30770 1 386 . 1 . 1 113 113 LEU H H 1 7.649 0.00 . . . . . . A 360 LEU H . 30770 1 387 . 1 . 1 113 113 LEU HD11 H 1 1.023 0.00 . . . . . . A 360 LEU HD11 . 30770 1 388 . 1 . 1 113 113 LEU HD12 H 1 1.023 0.00 . . . . . . A 360 LEU HD12 . 30770 1 389 . 1 . 1 113 113 LEU HD13 H 1 1.023 0.00 . . . . . . A 360 LEU HD13 . 30770 1 390 . 1 . 1 113 113 LEU HD21 H 1 1.040 0.00 . . . . . . A 360 LEU HD21 . 30770 1 391 . 1 . 1 113 113 LEU HD22 H 1 1.040 0.00 . . . . . . A 360 LEU HD22 . 30770 1 392 . 1 . 1 113 113 LEU HD23 H 1 1.040 0.00 . . . . . . A 360 LEU HD23 . 30770 1 393 . 1 . 1 113 113 LEU CD1 C 13 25.680 0.00 . . . . . . A 360 LEU CD1 . 30770 1 394 . 1 . 1 113 113 LEU CD2 C 13 24.210 0.00 . . . . . . A 360 LEU CD2 . 30770 1 395 . 1 . 1 113 113 LEU N N 15 118.333 0.00 . . . . . . A 360 LEU N . 30770 1 396 . 1 . 1 114 114 TYR H H 1 8.512 0.00 . . . . . . A 361 TYR H . 30770 1 397 . 1 . 1 114 114 TYR N N 15 124.659 0.00 . . . . . . A 361 TYR N . 30770 1 398 . 1 . 1 115 115 MET HE1 H 1 1.741 0.00 . . . . . . A 362 MET HE1 . 30770 1 399 . 1 . 1 115 115 MET HE2 H 1 1.741 0.00 . . . . . . A 362 MET HE2 . 30770 1 400 . 1 . 1 115 115 MET HE3 H 1 1.741 0.00 . . . . . . A 362 MET HE3 . 30770 1 401 . 1 . 1 115 115 MET CE C 13 17.919 0.00 . . . . . . A 362 MET CE . 30770 1 402 . 1 . 1 116 116 ALA HB1 H 1 0.661 0.00 . . . . . . A 363 ALA HB1 . 30770 1 403 . 1 . 1 116 116 ALA HB2 H 1 0.661 0.00 . . . . . . A 363 ALA HB2 . 30770 1 404 . 1 . 1 116 116 ALA HB3 H 1 0.661 0.00 . . . . . . A 363 ALA HB3 . 30770 1 405 . 1 . 1 116 116 ALA CB C 13 18.092 0.00 . . . . . . A 363 ALA CB . 30770 1 406 . 1 . 1 117 117 THR HG21 H 1 1.235 0.00 . . . . . . A 364 THR HG21 . 30770 1 407 . 1 . 1 117 117 THR HG22 H 1 1.235 0.00 . . . . . . A 364 THR HG22 . 30770 1 408 . 1 . 1 117 117 THR HG23 H 1 1.235 0.00 . . . . . . A 364 THR HG23 . 30770 1 409 . 1 . 1 117 117 THR CG2 C 13 21.220 0.00 . . . . . . A 364 THR CG2 . 30770 1 410 . 1 . 1 119 119 ILE HD11 H 1 0.600 0.00 . . . . . . A 366 ILE HD11 . 30770 1 411 . 1 . 1 119 119 ILE HD12 H 1 0.600 0.00 . . . . . . A 366 ILE HD12 . 30770 1 412 . 1 . 1 119 119 ILE HD13 H 1 0.600 0.00 . . . . . . A 366 ILE HD13 . 30770 1 413 . 1 . 1 119 119 ILE CD1 C 13 14.423 0.00 . . . . . . A 366 ILE CD1 . 30770 1 414 . 1 . 1 122 122 ALA H H 1 7.181 0.00 . . . . . . A 369 ALA H . 30770 1 415 . 1 . 1 122 122 ALA HB1 H 1 1.137 0.00 . . . . . . A 369 ALA HB1 . 30770 1 416 . 1 . 1 122 122 ALA HB2 H 1 1.137 0.00 . . . . . . A 369 ALA HB2 . 30770 1 417 . 1 . 1 122 122 ALA HB3 H 1 1.137 0.00 . . . . . . A 369 ALA HB3 . 30770 1 418 . 1 . 1 122 122 ALA CB C 13 17.906 0.00 . . . . . . A 369 ALA CB . 30770 1 419 . 1 . 1 122 122 ALA N N 15 123.610 0.00 . . . . . . A 369 ALA N . 30770 1 420 . 1 . 1 123 123 MET HE1 H 1 1.717 0.00 . . . . . . A 370 MET HE1 . 30770 1 421 . 1 . 1 123 123 MET HE2 H 1 1.717 0.00 . . . . . . A 370 MET HE2 . 30770 1 422 . 1 . 1 123 123 MET HE3 H 1 1.717 0.00 . . . . . . A 370 MET HE3 . 30770 1 423 . 1 . 1 123 123 MET CE C 13 15.357 0.00 . . . . . . A 370 MET CE . 30770 1 424 . 1 . 1 125 125 TYR H H 1 7.203 0.00 . . . . . . A 372 TYR H . 30770 1 425 . 1 . 1 125 125 TYR N N 15 121.665 0.00 . . . . . . A 372 TYR N . 30770 1 426 . 1 . 1 126 126 LEU HD11 H 1 0.881 0.00 . . . . . . A 373 LEU HD11 . 30770 1 427 . 1 . 1 126 126 LEU HD12 H 1 0.881 0.00 . . . . . . A 373 LEU HD12 . 30770 1 428 . 1 . 1 126 126 LEU HD13 H 1 0.881 0.00 . . . . . . A 373 LEU HD13 . 30770 1 429 . 1 . 1 126 126 LEU HD21 H 1 0.404 0.00 . . . . . . A 373 LEU HD21 . 30770 1 430 . 1 . 1 126 126 LEU HD22 H 1 0.404 0.00 . . . . . . A 373 LEU HD22 . 30770 1 431 . 1 . 1 126 126 LEU HD23 H 1 0.404 0.00 . . . . . . A 373 LEU HD23 . 30770 1 432 . 1 . 1 126 126 LEU CD1 C 13 24.943 0.00 . . . . . . A 373 LEU CD1 . 30770 1 433 . 1 . 1 126 126 LEU CD2 C 13 21.723 0.00 . . . . . . A 373 LEU CD2 . 30770 1 434 . 1 . 1 129 129 LYS H H 1 7.490 0.00 . . . . . . A 376 LYS H . 30770 1 435 . 1 . 1 129 129 LYS N N 15 118.456 0.00 . . . . . . A 376 LYS N . 30770 1 436 . 1 . 1 130 130 ASN H H 1 8.027 0.00 . . . . . . A 377 ASN H . 30770 1 437 . 1 . 1 130 130 ASN N N 15 116.145 0.00 . . . . . . A 377 ASN N . 30770 1 438 . 1 . 1 131 131 PHE H H 1 8.133 0.00 . . . . . . A 378 PHE H . 30770 1 439 . 1 . 1 131 131 PHE HE1 H 1 7.044 0.00 . . . . . . A 378 PHE HE1 . 30770 1 440 . 1 . 1 131 131 PHE HE2 H 1 7.044 0.00 . . . . . . A 378 PHE HE2 . 30770 1 441 . 1 . 1 131 131 PHE CE1 C 13 128.636 0.00 . . . . . . A 378 PHE CE1 . 30770 1 442 . 1 . 1 131 131 PHE CE2 C 13 128.636 0.00 . . . . . . A 378 PHE CE2 . 30770 1 443 . 1 . 1 131 131 PHE N N 15 118.192 0.00 . . . . . . A 378 PHE N . 30770 1 444 . 1 . 1 132 132 ILE H H 1 8.102 0.00 . . . . . . A 379 ILE H . 30770 1 445 . 1 . 1 132 132 ILE HD11 H 1 0.596 0.00 . . . . . . A 379 ILE HD11 . 30770 1 446 . 1 . 1 132 132 ILE HD12 H 1 0.596 0.00 . . . . . . A 379 ILE HD12 . 30770 1 447 . 1 . 1 132 132 ILE HD13 H 1 0.596 0.00 . . . . . . A 379 ILE HD13 . 30770 1 448 . 1 . 1 132 132 ILE CD1 C 13 14.884 0.00 . . . . . . A 379 ILE CD1 . 30770 1 449 . 1 . 1 132 132 ILE N N 15 110.219 0.00 . . . . . . A 379 ILE N . 30770 1 450 . 1 . 1 133 133 HIS H H 1 11.785 0.00 . . . . . . A 380 HIS H . 30770 1 451 . 1 . 1 133 133 HIS N N 15 128.973 0.00 . . . . . . A 380 HIS N . 30770 1 452 . 1 . 1 134 134 ARG H H 1 9.462 0.00 . . . . . . A 381 ARG H . 30770 1 453 . 1 . 1 134 134 ARG N N 15 110.903 0.00 . . . . . . A 381 ARG N . 30770 1 454 . 1 . 1 135 135 ASP H H 1 10.447 0.00 . . . . . . A 382 ASP H . 30770 1 455 . 1 . 1 135 135 ASP N N 15 127.298 0.00 . . . . . . A 382 ASP N . 30770 1 456 . 1 . 1 136 136 LEU HD11 H 1 0.755 0.00 . . . . . . A 383 LEU HD11 . 30770 1 457 . 1 . 1 136 136 LEU HD12 H 1 0.755 0.00 . . . . . . A 383 LEU HD12 . 30770 1 458 . 1 . 1 136 136 LEU HD13 H 1 0.755 0.00 . . . . . . A 383 LEU HD13 . 30770 1 459 . 1 . 1 136 136 LEU HD21 H 1 0.681 0.00 . . . . . . A 383 LEU HD21 . 30770 1 460 . 1 . 1 136 136 LEU HD22 H 1 0.681 0.00 . . . . . . A 383 LEU HD22 . 30770 1 461 . 1 . 1 136 136 LEU HD23 H 1 0.681 0.00 . . . . . . A 383 LEU HD23 . 30770 1 462 . 1 . 1 136 136 LEU CD1 C 13 24.086 0.00 . . . . . . A 383 LEU CD1 . 30770 1 463 . 1 . 1 136 136 LEU CD2 C 13 23.901 0.00 . . . . . . A 383 LEU CD2 . 30770 1 464 . 1 . 1 137 137 ALA HB1 H 1 0.776 0.00 . . . . . . A 384 ALA HB1 . 30770 1 465 . 1 . 1 137 137 ALA HB2 H 1 0.776 0.00 . . . . . . A 384 ALA HB2 . 30770 1 466 . 1 . 1 137 137 ALA HB3 H 1 0.776 0.00 . . . . . . A 384 ALA HB3 . 30770 1 467 . 1 . 1 137 137 ALA CB C 13 20.744 0.00 . . . . . . A 384 ALA CB . 30770 1 468 . 1 . 1 138 138 ALA H H 1 10.554 0.00 . . . . . . A 385 ALA H . 30770 1 469 . 1 . 1 138 138 ALA HB1 H 1 1.218 0.00 . . . . . . A 385 ALA HB1 . 30770 1 470 . 1 . 1 138 138 ALA HB2 H 1 1.218 0.00 . . . . . . A 385 ALA HB2 . 30770 1 471 . 1 . 1 138 138 ALA HB3 H 1 1.218 0.00 . . . . . . A 385 ALA HB3 . 30770 1 472 . 1 . 1 138 138 ALA CB C 13 15.835 0.00 . . . . . . A 385 ALA CB . 30770 1 473 . 1 . 1 138 138 ALA N N 15 129.813 0.00 . . . . . . A 385 ALA N . 30770 1 474 . 1 . 1 139 139 ARG H H 1 9.477 0.00 . . . . . . A 386 ARG H . 30770 1 475 . 1 . 1 139 139 ARG N N 15 114.198 0.00 . . . . . . A 386 ARG N . 30770 1 476 . 1 . 1 142 142 LEU HD11 H 1 0.678 0.00 . . . . . . A 389 LEU HD11 . 30770 1 477 . 1 . 1 142 142 LEU HD12 H 1 0.678 0.00 . . . . . . A 389 LEU HD12 . 30770 1 478 . 1 . 1 142 142 LEU HD13 H 1 0.678 0.00 . . . . . . A 389 LEU HD13 . 30770 1 479 . 1 . 1 142 142 LEU HD21 H 1 0.564 0.00 . . . . . . A 389 LEU HD21 . 30770 1 480 . 1 . 1 142 142 LEU HD22 H 1 0.564 0.00 . . . . . . A 389 LEU HD22 . 30770 1 481 . 1 . 1 142 142 LEU HD23 H 1 0.564 0.00 . . . . . . A 389 LEU HD23 . 30770 1 482 . 1 . 1 142 142 LEU CD1 C 13 25.961 0.00 . . . . . . A 389 LEU CD1 . 30770 1 483 . 1 . 1 142 142 LEU CD2 C 13 22.093 0.00 . . . . . . A 389 LEU CD2 . 30770 1 484 . 1 . 1 143 143 VAL HG11 H 1 0.348 0.00 . . . . . . A 390 VAL HG11 . 30770 1 485 . 1 . 1 143 143 VAL HG12 H 1 0.348 0.00 . . . . . . A 390 VAL HG12 . 30770 1 486 . 1 . 1 143 143 VAL HG13 H 1 0.348 0.00 . . . . . . A 390 VAL HG13 . 30770 1 487 . 1 . 1 143 143 VAL HG21 H 1 0.082 0.00 . . . . . . A 390 VAL HG21 . 30770 1 488 . 1 . 1 143 143 VAL HG22 H 1 0.082 0.00 . . . . . . A 390 VAL HG22 . 30770 1 489 . 1 . 1 143 143 VAL HG23 H 1 0.082 0.00 . . . . . . A 390 VAL HG23 . 30770 1 490 . 1 . 1 143 143 VAL CG1 C 13 21.943 0.00 . . . . . . A 390 VAL CG1 . 30770 1 491 . 1 . 1 143 143 VAL CG2 C 13 19.587 0.00 . . . . . . A 390 VAL CG2 . 30770 1 492 . 1 . 1 144 144 GLY H H 1 9.100 0.00 . . . . . . A 391 GLY H . 30770 1 493 . 1 . 1 144 144 GLY N N 15 115.431 0.00 . . . . . . A 391 GLY N . 30770 1 494 . 1 . 1 145 145 GLU H H 1 8.667 0.00 . . . . . . A 392 GLU H . 30770 1 495 . 1 . 1 145 145 GLU N N 15 118.658 0.00 . . . . . . A 392 GLU N . 30770 1 496 . 1 . 1 146 146 ASN H H 1 9.101 0.00 . . . . . . A 393 ASN H . 30770 1 497 . 1 . 1 146 146 ASN N N 15 117.572 0.00 . . . . . . A 393 ASN N . 30770 1 498 . 1 . 1 147 147 HIS H H 1 8.652 0.00 . . . . . . A 394 HIS H . 30770 1 499 . 1 . 1 147 147 HIS N N 15 110.511 0.00 . . . . . . A 394 HIS N . 30770 1 500 . 1 . 1 148 148 LEU H H 1 6.693 0.00 . . . . . . A 395 LEU H . 30770 1 501 . 1 . 1 148 148 LEU HD11 H 1 0.862 0.00 . . . . . . A 395 LEU HD11 . 30770 1 502 . 1 . 1 148 148 LEU HD12 H 1 0.862 0.00 . . . . . . A 395 LEU HD12 . 30770 1 503 . 1 . 1 148 148 LEU HD13 H 1 0.862 0.00 . . . . . . A 395 LEU HD13 . 30770 1 504 . 1 . 1 148 148 LEU HD21 H 1 0.870 0.00 . . . . . . A 395 LEU HD21 . 30770 1 505 . 1 . 1 148 148 LEU HD22 H 1 0.870 0.00 . . . . . . A 395 LEU HD22 . 30770 1 506 . 1 . 1 148 148 LEU HD23 H 1 0.870 0.00 . . . . . . A 395 LEU HD23 . 30770 1 507 . 1 . 1 148 148 LEU CD1 C 13 26.339 0.00 . . . . . . A 395 LEU CD1 . 30770 1 508 . 1 . 1 148 148 LEU CD2 C 13 23.068 0.00 . . . . . . A 395 LEU CD2 . 30770 1 509 . 1 . 1 148 148 LEU N N 15 120.972 0.00 . . . . . . A 395 LEU N . 30770 1 510 . 1 . 1 149 149 VAL HG11 H 1 0.645 0.00 . . . . . . A 396 VAL HG11 . 30770 1 511 . 1 . 1 149 149 VAL HG12 H 1 0.645 0.00 . . . . . . A 396 VAL HG12 . 30770 1 512 . 1 . 1 149 149 VAL HG13 H 1 0.645 0.00 . . . . . . A 396 VAL HG13 . 30770 1 513 . 1 . 1 149 149 VAL HG21 H 1 0.691 0.00 . . . . . . A 396 VAL HG21 . 30770 1 514 . 1 . 1 149 149 VAL HG22 H 1 0.691 0.00 . . . . . . A 396 VAL HG22 . 30770 1 515 . 1 . 1 149 149 VAL HG23 H 1 0.691 0.00 . . . . . . A 396 VAL HG23 . 30770 1 516 . 1 . 1 149 149 VAL CG1 C 13 22.179 0.00 . . . . . . A 396 VAL CG1 . 30770 1 517 . 1 . 1 149 149 VAL CG2 C 13 22.049 0.00 . . . . . . A 396 VAL CG2 . 30770 1 518 . 1 . 1 151 151 VAL HG11 H 1 0.779 0.00 . . . . . . A 398 VAL HG11 . 30770 1 519 . 1 . 1 151 151 VAL HG12 H 1 0.779 0.00 . . . . . . A 398 VAL HG12 . 30770 1 520 . 1 . 1 151 151 VAL HG13 H 1 0.779 0.00 . . . . . . A 398 VAL HG13 . 30770 1 521 . 1 . 1 151 151 VAL HG21 H 1 0.589 0.00 . . . . . . A 398 VAL HG21 . 30770 1 522 . 1 . 1 151 151 VAL HG22 H 1 0.589 0.00 . . . . . . A 398 VAL HG22 . 30770 1 523 . 1 . 1 151 151 VAL HG23 H 1 0.589 0.00 . . . . . . A 398 VAL HG23 . 30770 1 524 . 1 . 1 151 151 VAL CG1 C 13 22.440 0.00 . . . . . . A 398 VAL CG1 . 30770 1 525 . 1 . 1 151 151 VAL CG2 C 13 21.727 0.00 . . . . . . A 398 VAL CG2 . 30770 1 526 . 1 . 1 152 152 ALA HB1 H 1 1.136 0.00 . . . . . . A 399 ALA HB1 . 30770 1 527 . 1 . 1 152 152 ALA HB2 H 1 1.136 0.00 . . . . . . A 399 ALA HB2 . 30770 1 528 . 1 . 1 152 152 ALA HB3 H 1 1.136 0.00 . . . . . . A 399 ALA HB3 . 30770 1 529 . 1 . 1 152 152 ALA CB C 13 23.744 0.00 . . . . . . A 399 ALA CB . 30770 1 530 . 1 . 1 154 154 PHE HE1 H 1 7.148 0.00 . . . . . . A 401 PHE HE1 . 30770 1 531 . 1 . 1 154 154 PHE HE2 H 1 7.148 0.00 . . . . . . A 401 PHE HE2 . 30770 1 532 . 1 . 1 154 154 PHE CE1 C 13 127.673 0.00 . . . . . . A 401 PHE CE1 . 30770 1 533 . 1 . 1 154 154 PHE CE2 C 13 127.673 0.00 . . . . . . A 401 PHE CE2 . 30770 1 534 . 1 . 1 155 155 GLY H H 1 8.254 0.00 . . . . . . A 402 GLY H . 30770 1 535 . 1 . 1 155 155 GLY N N 15 107.712 0.00 . . . . . . A 402 GLY N . 30770 1 536 . 1 . 1 156 156 LEU HD11 H 1 0.690 0.00 . . . . . . A 403 LEU HD11 . 30770 1 537 . 1 . 1 156 156 LEU HD12 H 1 0.690 0.00 . . . . . . A 403 LEU HD12 . 30770 1 538 . 1 . 1 156 156 LEU HD13 H 1 0.690 0.00 . . . . . . A 403 LEU HD13 . 30770 1 539 . 1 . 1 156 156 LEU HD21 H 1 0.700 0.00 . . . . . . A 403 LEU HD21 . 30770 1 540 . 1 . 1 156 156 LEU HD22 H 1 0.700 0.00 . . . . . . A 403 LEU HD22 . 30770 1 541 . 1 . 1 156 156 LEU HD23 H 1 0.700 0.00 . . . . . . A 403 LEU HD23 . 30770 1 542 . 1 . 1 156 156 LEU CD1 C 13 25.627 0.00 . . . . . . A 403 LEU CD1 . 30770 1 543 . 1 . 1 156 156 LEU CD2 C 13 22.791 0.00 . . . . . . A 403 LEU CD2 . 30770 1 544 . 1 . 1 159 159 LEU HD11 H 1 0.703 0.00 . . . . . . A 406 LEU HD11 . 30770 1 545 . 1 . 1 159 159 LEU HD12 H 1 0.703 0.00 . . . . . . A 406 LEU HD12 . 30770 1 546 . 1 . 1 159 159 LEU HD13 H 1 0.703 0.00 . . . . . . A 406 LEU HD13 . 30770 1 547 . 1 . 1 159 159 LEU HD21 H 1 0.581 0.00 . . . . . . A 406 LEU HD21 . 30770 1 548 . 1 . 1 159 159 LEU HD22 H 1 0.581 0.00 . . . . . . A 406 LEU HD22 . 30770 1 549 . 1 . 1 159 159 LEU HD23 H 1 0.581 0.00 . . . . . . A 406 LEU HD23 . 30770 1 550 . 1 . 1 159 159 LEU CD1 C 13 25.513 0.00 . . . . . . A 406 LEU CD1 . 30770 1 551 . 1 . 1 159 159 LEU CD2 C 13 23.449 0.00 . . . . . . A 406 LEU CD2 . 30770 1 552 . 1 . 1 160 160 MET HE1 H 1 1.994 0.00 . . . . . . A 407 MET HE1 . 30770 1 553 . 1 . 1 160 160 MET HE2 H 1 1.994 0.00 . . . . . . A 407 MET HE2 . 30770 1 554 . 1 . 1 160 160 MET HE3 H 1 1.994 0.00 . . . . . . A 407 MET HE3 . 30770 1 555 . 1 . 1 160 160 MET CE C 13 17.218 0.00 . . . . . . A 407 MET CE . 30770 1 556 . 1 . 1 161 161 THR H H 1 8.520 0.00 . . . . . . A 408 THR H . 30770 1 557 . 1 . 1 161 161 THR HG21 H 1 1.145 0.00 . . . . . . A 408 THR HG21 . 30770 1 558 . 1 . 1 161 161 THR HG22 H 1 1.145 0.00 . . . . . . A 408 THR HG22 . 30770 1 559 . 1 . 1 161 161 THR HG23 H 1 1.145 0.00 . . . . . . A 408 THR HG23 . 30770 1 560 . 1 . 1 161 161 THR CG2 C 13 21.323 0.00 . . . . . . A 408 THR CG2 . 30770 1 561 . 1 . 1 161 161 THR N N 15 115.087 0.00 . . . . . . A 408 THR N . 30770 1 562 . 1 . 1 162 162 GLY H H 1 8.012 0.00 . . . . . . A 409 GLY H . 30770 1 563 . 1 . 1 162 162 GLY N N 15 112.749 0.00 . . . . . . A 409 GLY N . 30770 1 564 . 1 . 1 163 163 ASP H H 1 8.449 0.00 . . . . . . A 410 ASP H . 30770 1 565 . 1 . 1 163 163 ASP N N 15 118.112 0.00 . . . . . . A 410 ASP N . 30770 1 566 . 1 . 1 164 164 THR H H 1 7.662 0.00 . . . . . . A 411 THR H . 30770 1 567 . 1 . 1 164 164 THR HG21 H 1 1.047 0.00 . . . . . . A 411 THR HG21 . 30770 1 568 . 1 . 1 164 164 THR HG22 H 1 1.047 0.00 . . . . . . A 411 THR HG22 . 30770 1 569 . 1 . 1 164 164 THR HG23 H 1 1.047 0.00 . . . . . . A 411 THR HG23 . 30770 1 570 . 1 . 1 164 164 THR CG2 C 13 21.613 0.00 . . . . . . A 411 THR CG2 . 30770 1 571 . 1 . 1 164 164 THR N N 15 110.117 0.00 . . . . . . A 411 THR N . 30770 1 572 . 1 . 1 165 165 TYR H H 1 9.328 0.00 . . . . . . A 412 TYR H . 30770 1 573 . 1 . 1 165 165 TYR N N 15 125.850 0.00 . . . . . . A 412 TYR N . 30770 1 574 . 1 . 1 166 166 THR H H 1 7.915 0.00 . . . . . . A 413 THR H . 30770 1 575 . 1 . 1 166 166 THR HG21 H 1 1.126 0.00 . . . . . . A 413 THR HG21 . 30770 1 576 . 1 . 1 166 166 THR HG22 H 1 1.126 0.00 . . . . . . A 413 THR HG22 . 30770 1 577 . 1 . 1 166 166 THR HG23 H 1 1.126 0.00 . . . . . . A 413 THR HG23 . 30770 1 578 . 1 . 1 166 166 THR CG2 C 13 20.982 0.00 . . . . . . A 413 THR CG2 . 30770 1 579 . 1 . 1 166 166 THR N N 15 125.659 0.00 . . . . . . A 413 THR N . 30770 1 580 . 1 . 1 167 167 ALA H H 1 8.539 0.00 . . . . . . A 414 ALA H . 30770 1 581 . 1 . 1 167 167 ALA HB1 H 1 1.573 0.00 . . . . . . A 414 ALA HB1 . 30770 1 582 . 1 . 1 167 167 ALA HB2 H 1 1.573 0.00 . . . . . . A 414 ALA HB2 . 30770 1 583 . 1 . 1 167 167 ALA HB3 H 1 1.573 0.00 . . . . . . A 414 ALA HB3 . 30770 1 584 . 1 . 1 167 167 ALA CB C 13 20.398 0.00 . . . . . . A 414 ALA CB . 30770 1 585 . 1 . 1 167 167 ALA N N 15 128.709 0.00 . . . . . . A 414 ALA N . 30770 1 586 . 1 . 1 169 169 ALA HB1 H 1 1.313 0.00 . . . . . . A 416 ALA HB1 . 30770 1 587 . 1 . 1 169 169 ALA HB2 H 1 1.313 0.00 . . . . . . A 416 ALA HB2 . 30770 1 588 . 1 . 1 169 169 ALA HB3 H 1 1.313 0.00 . . . . . . A 416 ALA HB3 . 30770 1 589 . 1 . 1 169 169 ALA CB C 13 18.165 0.00 . . . . . . A 416 ALA CB . 30770 1 590 . 1 . 1 170 170 GLY H H 1 8.806 0.00 . . . . . . A 417 GLY H . 30770 1 591 . 1 . 1 170 170 GLY N N 15 111.277 0.00 . . . . . . A 417 GLY N . 30770 1 592 . 1 . 1 171 171 ALA H H 1 7.468 0.00 . . . . . . A 418 ALA H . 30770 1 593 . 1 . 1 171 171 ALA HB1 H 1 1.087 0.00 . . . . . . A 418 ALA HB1 . 30770 1 594 . 1 . 1 171 171 ALA HB2 H 1 1.087 0.00 . . . . . . A 418 ALA HB2 . 30770 1 595 . 1 . 1 171 171 ALA HB3 H 1 1.087 0.00 . . . . . . A 418 ALA HB3 . 30770 1 596 . 1 . 1 171 171 ALA CB C 13 19.448 0.00 . . . . . . A 418 ALA CB . 30770 1 597 . 1 . 1 171 171 ALA N N 15 123.966 0.00 . . . . . . A 418 ALA N . 30770 1 598 . 1 . 1 173 173 PHE H H 1 8.153 0.00 . . . . . . A 420 PHE H . 30770 1 599 . 1 . 1 173 173 PHE N N 15 122.764 0.00 . . . . . . A 420 PHE N . 30770 1 600 . 1 . 1 175 175 ILE H H 1 8.709 0.00 . . . . . . A 422 ILE H . 30770 1 601 . 1 . 1 175 175 ILE HD11 H 1 0.902 0.00 . . . . . . A 422 ILE HD11 . 30770 1 602 . 1 . 1 175 175 ILE HD12 H 1 0.902 0.00 . . . . . . A 422 ILE HD12 . 30770 1 603 . 1 . 1 175 175 ILE HD13 H 1 0.902 0.00 . . . . . . A 422 ILE HD13 . 30770 1 604 . 1 . 1 175 175 ILE CD1 C 13 12.604 0.00 . . . . . . A 422 ILE CD1 . 30770 1 605 . 1 . 1 175 175 ILE N N 15 133.114 0.00 . . . . . . A 422 ILE N . 30770 1 606 . 1 . 1 176 176 LYS H H 1 9.216 0.00 . . . . . . A 423 LYS H . 30770 1 607 . 1 . 1 176 176 LYS N N 15 114.817 0.00 . . . . . . A 423 LYS N . 30770 1 608 . 1 . 1 177 177 TRP HE1 H 1 10.502 0.00 . . . . . . A 424 TRP HE1 . 30770 1 609 . 1 . 1 177 177 TRP NE1 N 15 131.913 0.00 . . . . . . A 424 TRP NE1 . 30770 1 610 . 1 . 1 178 178 THR HG21 H 1 1.063 0.00 . . . . . . A 425 THR HG21 . 30770 1 611 . 1 . 1 178 178 THR HG22 H 1 1.063 0.00 . . . . . . A 425 THR HG22 . 30770 1 612 . 1 . 1 178 178 THR HG23 H 1 1.063 0.00 . . . . . . A 425 THR HG23 . 30770 1 613 . 1 . 1 178 178 THR CG2 C 13 22.609 0.00 . . . . . . A 425 THR CG2 . 30770 1 614 . 1 . 1 179 179 ALA H H 1 8.254 0.00 . . . . . . A 426 ALA H . 30770 1 615 . 1 . 1 179 179 ALA HB1 H 1 1.105 0.00 . . . . . . A 426 ALA HB1 . 30770 1 616 . 1 . 1 179 179 ALA HB2 H 1 1.105 0.00 . . . . . . A 426 ALA HB2 . 30770 1 617 . 1 . 1 179 179 ALA HB3 H 1 1.105 0.00 . . . . . . A 426 ALA HB3 . 30770 1 618 . 1 . 1 179 179 ALA CB C 13 17.310 0.00 . . . . . . A 426 ALA CB . 30770 1 619 . 1 . 1 179 179 ALA N N 15 128.923 0.00 . . . . . . A 426 ALA N . 30770 1 620 . 1 . 1 181 181 GLU H H 1 9.520 0.00 . . . . . . A 428 GLU H . 30770 1 621 . 1 . 1 181 181 GLU N N 15 116.922 0.00 . . . . . . A 428 GLU N . 30770 1 622 . 1 . 1 182 182 SER H H 1 6.770 0.00 . . . . . . A 429 SER H . 30770 1 623 . 1 . 1 182 182 SER N N 15 122.733 0.00 . . . . . . A 429 SER N . 30770 1 624 . 1 . 1 183 183 LEU H H 1 7.512 0.00 . . . . . . A 430 LEU H . 30770 1 625 . 1 . 1 183 183 LEU HD11 H 1 0.813 0.00 . . . . . . A 430 LEU HD11 . 30770 1 626 . 1 . 1 183 183 LEU HD12 H 1 0.813 0.00 . . . . . . A 430 LEU HD12 . 30770 1 627 . 1 . 1 183 183 LEU HD13 H 1 0.813 0.00 . . . . . . A 430 LEU HD13 . 30770 1 628 . 1 . 1 183 183 LEU HD21 H 1 0.863 0.00 . . . . . . A 430 LEU HD21 . 30770 1 629 . 1 . 1 183 183 LEU HD22 H 1 0.863 0.00 . . . . . . A 430 LEU HD22 . 30770 1 630 . 1 . 1 183 183 LEU HD23 H 1 0.863 0.00 . . . . . . A 430 LEU HD23 . 30770 1 631 . 1 . 1 183 183 LEU CD1 C 13 25.525 0.00 . . . . . . A 430 LEU CD1 . 30770 1 632 . 1 . 1 183 183 LEU CD2 C 13 23.197 0.00 . . . . . . A 430 LEU CD2 . 30770 1 633 . 1 . 1 183 183 LEU N N 15 120.137 0.00 . . . . . . A 430 LEU N . 30770 1 634 . 1 . 1 184 184 ALA H H 1 8.150 0.00 . . . . . . A 431 ALA H . 30770 1 635 . 1 . 1 184 184 ALA HB1 H 1 0.508 0.00 . . . . . . A 431 ALA HB1 . 30770 1 636 . 1 . 1 184 184 ALA HB2 H 1 0.508 0.00 . . . . . . A 431 ALA HB2 . 30770 1 637 . 1 . 1 184 184 ALA HB3 H 1 0.508 0.00 . . . . . . A 431 ALA HB3 . 30770 1 638 . 1 . 1 184 184 ALA CB C 13 18.616 0.00 . . . . . . A 431 ALA CB . 30770 1 639 . 1 . 1 184 184 ALA N N 15 117.554 0.00 . . . . . . A 431 ALA N . 30770 1 640 . 1 . 1 185 185 TYR H H 1 7.021 0.00 . . . . . . A 432 TYR H . 30770 1 641 . 1 . 1 185 185 TYR N N 15 111.633 0.00 . . . . . . A 432 TYR N . 30770 1 642 . 1 . 1 187 187 LYS H H 1 6.627 0.00 . . . . . . A 434 LYS H . 30770 1 643 . 1 . 1 187 187 LYS N N 15 115.922 0.00 . . . . . . A 434 LYS N . 30770 1 644 . 1 . 1 188 188 PHE H H 1 9.535 0.00 . . . . . . A 435 PHE H . 30770 1 645 . 1 . 1 188 188 PHE HE1 H 1 7.219 0.00 . . . . . . A 435 PHE HE1 . 30770 1 646 . 1 . 1 188 188 PHE HE2 H 1 7.219 0.00 . . . . . . A 435 PHE HE2 . 30770 1 647 . 1 . 1 188 188 PHE CE1 C 13 129.195 0.00 . . . . . . A 435 PHE CE1 . 30770 1 648 . 1 . 1 188 188 PHE CE2 C 13 129.195 0.00 . . . . . . A 435 PHE CE2 . 30770 1 649 . 1 . 1 188 188 PHE N N 15 123.273 0.00 . . . . . . A 435 PHE N . 30770 1 650 . 1 . 1 189 189 SER H H 1 9.731 0.00 . . . . . . A 436 SER H . 30770 1 651 . 1 . 1 189 189 SER N N 15 114.461 0.00 . . . . . . A 436 SER N . 30770 1 652 . 1 . 1 190 190 ILE H H 1 9.398 0.00 . . . . . . A 437 ILE H . 30770 1 653 . 1 . 1 190 190 ILE HD11 H 1 1.262 0.00 . . . . . . A 437 ILE HD11 . 30770 1 654 . 1 . 1 190 190 ILE HD12 H 1 1.262 0.00 . . . . . . A 437 ILE HD12 . 30770 1 655 . 1 . 1 190 190 ILE HD13 H 1 1.262 0.00 . . . . . . A 437 ILE HD13 . 30770 1 656 . 1 . 1 190 190 ILE CD1 C 13 13.174 0.00 . . . . . . A 437 ILE CD1 . 30770 1 657 . 1 . 1 190 190 ILE N N 15 123.217 0.00 . . . . . . A 437 ILE N . 30770 1 658 . 1 . 1 194 194 VAL HG11 H 1 0.985 0.00 . . . . . . A 441 VAL HG11 . 30770 1 659 . 1 . 1 194 194 VAL HG12 H 1 0.985 0.00 . . . . . . A 441 VAL HG12 . 30770 1 660 . 1 . 1 194 194 VAL HG13 H 1 0.985 0.00 . . . . . . A 441 VAL HG13 . 30770 1 661 . 1 . 1 194 194 VAL HG21 H 1 0.216 0.00 . . . . . . A 441 VAL HG21 . 30770 1 662 . 1 . 1 194 194 VAL HG22 H 1 0.216 0.00 . . . . . . A 441 VAL HG22 . 30770 1 663 . 1 . 1 194 194 VAL HG23 H 1 0.216 0.00 . . . . . . A 441 VAL HG23 . 30770 1 664 . 1 . 1 194 194 VAL CG1 C 13 22.509 0.00 . . . . . . A 441 VAL CG1 . 30770 1 665 . 1 . 1 194 194 VAL CG2 C 13 21.110 0.00 . . . . . . A 441 VAL CG2 . 30770 1 666 . 1 . 1 195 195 TRP H H 1 7.431 0.00 . . . . . . A 442 TRP H . 30770 1 667 . 1 . 1 195 195 TRP HE1 H 1 10.669 0.00 . . . . . . A 442 TRP HE1 . 30770 1 668 . 1 . 1 195 195 TRP N N 15 119.793 0.00 . . . . . . A 442 TRP N . 30770 1 669 . 1 . 1 195 195 TRP NE1 N 15 128.960 0.00 . . . . . . A 442 TRP NE1 . 30770 1 670 . 1 . 1 196 196 ALA HB1 H 1 2.400 0.00 . . . . . . A 443 ALA HB1 . 30770 1 671 . 1 . 1 196 196 ALA HB2 H 1 2.400 0.00 . . . . . . A 443 ALA HB2 . 30770 1 672 . 1 . 1 196 196 ALA HB3 H 1 2.400 0.00 . . . . . . A 443 ALA HB3 . 30770 1 673 . 1 . 1 196 196 ALA CB C 13 19.709 0.00 . . . . . . A 443 ALA CB . 30770 1 674 . 1 . 1 197 197 PHE H H 1 9.425 0.00 . . . . . . A 444 PHE H . 30770 1 675 . 1 . 1 197 197 PHE HE1 H 1 7.060 0.00 . . . . . . A 444 PHE HE1 . 30770 1 676 . 1 . 1 197 197 PHE HE2 H 1 7.060 0.00 . . . . . . A 444 PHE HE2 . 30770 1 677 . 1 . 1 197 197 PHE CE1 C 13 128.239 0.00 . . . . . . A 444 PHE CE1 . 30770 1 678 . 1 . 1 197 197 PHE CE2 C 13 128.237 0.00 . . . . . . A 444 PHE CE2 . 30770 1 679 . 1 . 1 197 197 PHE N N 15 119.789 0.00 . . . . . . A 444 PHE N . 30770 1 680 . 1 . 1 199 199 VAL HG11 H 1 1.152 0.00 . . . . . . A 446 VAL HG11 . 30770 1 681 . 1 . 1 199 199 VAL HG12 H 1 1.152 0.00 . . . . . . A 446 VAL HG12 . 30770 1 682 . 1 . 1 199 199 VAL HG13 H 1 1.152 0.00 . . . . . . A 446 VAL HG13 . 30770 1 683 . 1 . 1 199 199 VAL HG21 H 1 0.326 0.00 . . . . . . A 446 VAL HG21 . 30770 1 684 . 1 . 1 199 199 VAL HG22 H 1 0.326 0.00 . . . . . . A 446 VAL HG22 . 30770 1 685 . 1 . 1 199 199 VAL HG23 H 1 0.326 0.00 . . . . . . A 446 VAL HG23 . 30770 1 686 . 1 . 1 199 199 VAL CG1 C 13 22.048 0.00 . . . . . . A 446 VAL CG1 . 30770 1 687 . 1 . 1 199 199 VAL CG2 C 13 21.146 0.00 . . . . . . A 446 VAL CG2 . 30770 1 688 . 1 . 1 200 200 LEU HD11 H 1 0.688 0.00 . . . . . . A 447 LEU HD11 . 30770 1 689 . 1 . 1 200 200 LEU HD12 H 1 0.688 0.00 . . . . . . A 447 LEU HD12 . 30770 1 690 . 1 . 1 200 200 LEU HD13 H 1 0.688 0.00 . . . . . . A 447 LEU HD13 . 30770 1 691 . 1 . 1 200 200 LEU HD21 H 1 0.729 0.00 . . . . . . A 447 LEU HD21 . 30770 1 692 . 1 . 1 200 200 LEU HD22 H 1 0.729 0.00 . . . . . . A 447 LEU HD22 . 30770 1 693 . 1 . 1 200 200 LEU HD23 H 1 0.729 0.00 . . . . . . A 447 LEU HD23 . 30770 1 694 . 1 . 1 200 200 LEU CD1 C 13 26.661 0.00 . . . . . . A 447 LEU CD1 . 30770 1 695 . 1 . 1 200 200 LEU CD2 C 13 24.418 0.00 . . . . . . A 447 LEU CD2 . 30770 1 696 . 1 . 1 201 201 LEU HD11 H 1 0.786 0.00 . . . . . . A 448 LEU HD11 . 30770 1 697 . 1 . 1 201 201 LEU HD12 H 1 0.786 0.00 . . . . . . A 448 LEU HD12 . 30770 1 698 . 1 . 1 201 201 LEU HD13 H 1 0.786 0.00 . . . . . . A 448 LEU HD13 . 30770 1 699 . 1 . 1 201 201 LEU HD21 H 1 0.543 0.00 . . . . . . A 448 LEU HD21 . 30770 1 700 . 1 . 1 201 201 LEU HD22 H 1 0.543 0.00 . . . . . . A 448 LEU HD22 . 30770 1 701 . 1 . 1 201 201 LEU HD23 H 1 0.543 0.00 . . . . . . A 448 LEU HD23 . 30770 1 702 . 1 . 1 201 201 LEU CD1 C 13 25.028 0.00 . . . . . . A 448 LEU CD1 . 30770 1 703 . 1 . 1 201 201 LEU CD2 C 13 23.805 0.00 . . . . . . A 448 LEU CD2 . 30770 1 704 . 1 . 1 202 202 TRP H H 1 7.959 0.00 . . . . . . A 449 TRP H . 30770 1 705 . 1 . 1 202 202 TRP HE1 H 1 10.033 0.00 . . . . . . A 449 TRP HE1 . 30770 1 706 . 1 . 1 202 202 TRP N N 15 122.718 0.00 . . . . . . A 449 TRP N . 30770 1 707 . 1 . 1 202 202 TRP NE1 N 15 128.506 0.00 . . . . . . A 449 TRP NE1 . 30770 1 708 . 1 . 1 203 203 GLU H H 1 7.253 0.00 . . . . . . A 450 GLU H . 30770 1 709 . 1 . 1 203 203 GLU N N 15 118.619 0.00 . . . . . . A 450 GLU N . 30770 1 710 . 1 . 1 204 204 ILE HD11 H 1 0.425 0.00 . . . . . . A 451 ILE HD11 . 30770 1 711 . 1 . 1 204 204 ILE HD12 H 1 0.425 0.00 . . . . . . A 451 ILE HD12 . 30770 1 712 . 1 . 1 204 204 ILE HD13 H 1 0.425 0.00 . . . . . . A 451 ILE HD13 . 30770 1 713 . 1 . 1 204 204 ILE CD1 C 13 12.888 0.00 . . . . . . A 451 ILE CD1 . 30770 1 714 . 1 . 1 205 205 ALA HB1 H 1 1.163 0.00 . . . . . . A 452 ALA HB1 . 30770 1 715 . 1 . 1 205 205 ALA HB2 H 1 1.163 0.00 . . . . . . A 452 ALA HB2 . 30770 1 716 . 1 . 1 205 205 ALA HB3 H 1 1.163 0.00 . . . . . . A 452 ALA HB3 . 30770 1 717 . 1 . 1 205 205 ALA CB C 13 18.973 0.00 . . . . . . A 452 ALA CB . 30770 1 718 . 1 . 1 206 206 THR HG21 H 1 -0.214 0.00 . . . . . . A 453 THR HG21 . 30770 1 719 . 1 . 1 206 206 THR HG22 H 1 -0.214 0.00 . . . . . . A 453 THR HG22 . 30770 1 720 . 1 . 1 206 206 THR HG23 H 1 -0.214 0.00 . . . . . . A 453 THR HG23 . 30770 1 721 . 1 . 1 206 206 THR CG2 C 13 19.223 0.00 . . . . . . A 453 THR CG2 . 30770 1 722 . 1 . 1 208 208 GLY H H 1 9.325 0.00 . . . . . . A 455 GLY H . 30770 1 723 . 1 . 1 208 208 GLY N N 15 103.576 0.00 . . . . . . A 455 GLY N . 30770 1 724 . 1 . 1 209 209 MET HE1 H 1 2.174 0.00 . . . . . . A 456 MET HE1 . 30770 1 725 . 1 . 1 209 209 MET HE2 H 1 2.174 0.00 . . . . . . A 456 MET HE2 . 30770 1 726 . 1 . 1 209 209 MET HE3 H 1 2.174 0.00 . . . . . . A 456 MET HE3 . 30770 1 727 . 1 . 1 209 209 MET CE C 13 16.928 0.00 . . . . . . A 456 MET CE . 30770 1 728 . 1 . 1 212 212 TYR H H 1 7.016 0.00 . . . . . . A 459 TYR H . 30770 1 729 . 1 . 1 212 212 TYR N N 15 114.952 0.00 . . . . . . A 459 TYR N . 30770 1 730 . 1 . 1 214 214 GLY H H 1 8.834 0.00 . . . . . . A 461 GLY H . 30770 1 731 . 1 . 1 214 214 GLY N N 15 111.093 0.00 . . . . . . A 461 GLY N . 30770 1 732 . 1 . 1 215 215 ILE H H 1 7.291 0.00 . . . . . . A 462 ILE H . 30770 1 733 . 1 . 1 215 215 ILE HD11 H 1 0.397 0.00 . . . . . . A 462 ILE HD11 . 30770 1 734 . 1 . 1 215 215 ILE HD12 H 1 0.397 0.00 . . . . . . A 462 ILE HD12 . 30770 1 735 . 1 . 1 215 215 ILE HD13 H 1 0.397 0.00 . . . . . . A 462 ILE HD13 . 30770 1 736 . 1 . 1 215 215 ILE CD1 C 13 11.163 0.00 . . . . . . A 462 ILE CD1 . 30770 1 737 . 1 . 1 215 215 ILE N N 15 120.113 0.00 . . . . . . A 462 ILE N . 30770 1 738 . 1 . 1 216 216 ASP H H 1 8.599 0.00 . . . . . . A 463 ASP H . 30770 1 739 . 1 . 1 216 216 ASP N N 15 127.703 0.00 . . . . . . A 463 ASP N . 30770 1 740 . 1 . 1 217 217 LEU H H 1 8.581 0.00 . . . . . . A 464 LEU H . 30770 1 741 . 1 . 1 217 217 LEU HD11 H 1 0.970 0.00 . . . . . . A 464 LEU HD11 . 30770 1 742 . 1 . 1 217 217 LEU HD12 H 1 0.970 0.00 . . . . . . A 464 LEU HD12 . 30770 1 743 . 1 . 1 217 217 LEU HD13 H 1 0.970 0.00 . . . . . . A 464 LEU HD13 . 30770 1 744 . 1 . 1 217 217 LEU HD21 H 1 0.869 0.00 . . . . . . A 464 LEU HD21 . 30770 1 745 . 1 . 1 217 217 LEU HD22 H 1 0.869 0.00 . . . . . . A 464 LEU HD22 . 30770 1 746 . 1 . 1 217 217 LEU HD23 H 1 0.869 0.00 . . . . . . A 464 LEU HD23 . 30770 1 747 . 1 . 1 217 217 LEU CD1 C 13 25.226 0.00 . . . . . . A 464 LEU CD1 . 30770 1 748 . 1 . 1 217 217 LEU CD2 C 13 23.826 0.00 . . . . . . A 464 LEU CD2 . 30770 1 749 . 1 . 1 217 217 LEU N N 15 125.684 0.00 . . . . . . A 464 LEU N . 30770 1 750 . 1 . 1 218 218 SER H H 1 8.418 0.00 . . . . . . A 465 SER H . 30770 1 751 . 1 . 1 218 218 SER N N 15 112.038 0.00 . . . . . . A 465 SER N . 30770 1 752 . 1 . 1 219 219 GLN H H 1 7.906 0.00 . . . . . . A 466 GLN H . 30770 1 753 . 1 . 1 219 219 GLN N N 15 119.836 0.00 . . . . . . A 466 GLN N . 30770 1 754 . 1 . 1 220 220 VAL H H 1 6.807 0.00 . . . . . . A 467 VAL H . 30770 1 755 . 1 . 1 220 220 VAL HG11 H 1 0.467 0.00 . . . . . . A 467 VAL HG11 . 30770 1 756 . 1 . 1 220 220 VAL HG12 H 1 0.467 0.00 . . . . . . A 467 VAL HG12 . 30770 1 757 . 1 . 1 220 220 VAL HG13 H 1 0.467 0.00 . . . . . . A 467 VAL HG13 . 30770 1 758 . 1 . 1 220 220 VAL HG21 H 1 0.244 0.00 . . . . . . A 467 VAL HG21 . 30770 1 759 . 1 . 1 220 220 VAL HG22 H 1 0.244 0.00 . . . . . . A 467 VAL HG22 . 30770 1 760 . 1 . 1 220 220 VAL HG23 H 1 0.244 0.00 . . . . . . A 467 VAL HG23 . 30770 1 761 . 1 . 1 220 220 VAL CG1 C 13 23.180 0.00 . . . . . . A 467 VAL CG1 . 30770 1 762 . 1 . 1 220 220 VAL CG2 C 13 19.953 0.00 . . . . . . A 467 VAL CG2 . 30770 1 763 . 1 . 1 220 220 VAL N N 15 119.100 0.00 . . . . . . A 467 VAL N . 30770 1 764 . 1 . 1 221 221 TYR H H 1 8.769 0.00 . . . . . . A 468 TYR H . 30770 1 765 . 1 . 1 221 221 TYR N N 15 119.229 0.00 . . . . . . A 468 TYR N . 30770 1 766 . 1 . 1 222 222 GLU H H 1 8.290 0.00 . . . . . . A 469 GLU H . 30770 1 767 . 1 . 1 222 222 GLU N N 15 117.431 0.00 . . . . . . A 469 GLU N . 30770 1 768 . 1 . 1 223 223 LEU H H 1 7.769 0.00 . . . . . . A 470 LEU H . 30770 1 769 . 1 . 1 223 223 LEU HD11 H 1 0.359 0.00 . . . . . . A 470 LEU HD11 . 30770 1 770 . 1 . 1 223 223 LEU HD12 H 1 0.359 0.00 . . . . . . A 470 LEU HD12 . 30770 1 771 . 1 . 1 223 223 LEU HD13 H 1 0.359 0.00 . . . . . . A 470 LEU HD13 . 30770 1 772 . 1 . 1 223 223 LEU HD21 H 1 0.498 0.00 . . . . . . A 470 LEU HD21 . 30770 1 773 . 1 . 1 223 223 LEU HD22 H 1 0.498 0.00 . . . . . . A 470 LEU HD22 . 30770 1 774 . 1 . 1 223 223 LEU HD23 H 1 0.498 0.00 . . . . . . A 470 LEU HD23 . 30770 1 775 . 1 . 1 223 223 LEU CD1 C 13 25.695 0.00 . . . . . . A 470 LEU CD1 . 30770 1 776 . 1 . 1 223 223 LEU CD2 C 13 22.297 0.00 . . . . . . A 470 LEU CD2 . 30770 1 777 . 1 . 1 223 223 LEU N N 15 119.419 0.00 . . . . . . A 470 LEU N . 30770 1 778 . 1 . 1 224 224 LEU H H 1 8.565 0.00 . . . . . . A 471 LEU H . 30770 1 779 . 1 . 1 224 224 LEU HD11 H 1 0.738 0.00 . . . . . . A 471 LEU HD11 . 30770 1 780 . 1 . 1 224 224 LEU HD12 H 1 0.738 0.00 . . . . . . A 471 LEU HD12 . 30770 1 781 . 1 . 1 224 224 LEU HD13 H 1 0.738 0.00 . . . . . . A 471 LEU HD13 . 30770 1 782 . 1 . 1 224 224 LEU HD21 H 1 1.216 0.00 . . . . . . A 471 LEU HD21 . 30770 1 783 . 1 . 1 224 224 LEU HD22 H 1 1.216 0.00 . . . . . . A 471 LEU HD22 . 30770 1 784 . 1 . 1 224 224 LEU HD23 H 1 1.216 0.00 . . . . . . A 471 LEU HD23 . 30770 1 785 . 1 . 1 224 224 LEU CD1 C 13 26.654 0.00 . . . . . . A 471 LEU CD1 . 30770 1 786 . 1 . 1 224 224 LEU CD2 C 13 21.049 0.00 . . . . . . A 471 LEU CD2 . 30770 1 787 . 1 . 1 224 224 LEU N N 15 120.511 0.00 . . . . . . A 471 LEU N . 30770 1 788 . 1 . 1 225 225 GLU H H 1 8.554 0.00 . . . . . . A 472 GLU H . 30770 1 789 . 1 . 1 225 225 GLU N N 15 122.977 0.00 . . . . . . A 472 GLU N . 30770 1 790 . 1 . 1 226 226 LYS H H 1 7.155 0.00 . . . . . . A 473 LYS H . 30770 1 791 . 1 . 1 226 226 LYS N N 15 118.235 0.00 . . . . . . A 473 LYS N . 30770 1 792 . 1 . 1 227 227 ASP H H 1 7.643 0.00 . . . . . . A 474 ASP H . 30770 1 793 . 1 . 1 227 227 ASP N N 15 112.558 0.00 . . . . . . A 474 ASP N . 30770 1 794 . 1 . 1 229 229 ARG H H 1 6.845 0.00 . . . . . . A 476 ARG H . 30770 1 795 . 1 . 1 229 229 ARG N N 15 125.310 0.00 . . . . . . A 476 ARG N . 30770 1 796 . 1 . 1 230 230 MET H H 1 7.226 0.00 . . . . . . A 477 MET H . 30770 1 797 . 1 . 1 230 230 MET HE1 H 1 0.746 0.00 . . . . . . A 477 MET HE1 . 30770 1 798 . 1 . 1 230 230 MET HE2 H 1 0.746 0.00 . . . . . . A 477 MET HE2 . 30770 1 799 . 1 . 1 230 230 MET HE3 H 1 0.746 0.00 . . . . . . A 477 MET HE3 . 30770 1 800 . 1 . 1 230 230 MET CE C 13 16.496 0.00 . . . . . . A 477 MET CE . 30770 1 801 . 1 . 1 230 230 MET N N 15 116.608 0.00 . . . . . . A 477 MET N . 30770 1 802 . 1 . 1 231 231 GLU H H 1 8.506 0.00 . . . . . . A 478 GLU H . 30770 1 803 . 1 . 1 231 231 GLU N N 15 120.284 0.00 . . . . . . A 478 GLU N . 30770 1 804 . 1 . 1 232 232 ARG H H 1 8.325 0.00 . . . . . . A 479 ARG H . 30770 1 805 . 1 . 1 232 232 ARG N N 15 124.481 0.00 . . . . . . A 479 ARG N . 30770 1 806 . 1 . 1 234 234 GLU H H 1 8.592 0.00 . . . . . . A 481 GLU H . 30770 1 807 . 1 . 1 234 234 GLU N N 15 123.598 0.00 . . . . . . A 481 GLU N . 30770 1 808 . 1 . 1 235 235 GLY H H 1 8.845 0.00 . . . . . . A 482 GLY H . 30770 1 809 . 1 . 1 235 235 GLY N N 15 113.817 0.00 . . . . . . A 482 GLY N . 30770 1 810 . 1 . 1 236 236 CYS H H 1 7.732 0.00 . . . . . . A 483 CYS H . 30770 1 811 . 1 . 1 236 236 CYS N N 15 122.966 0.00 . . . . . . A 483 CYS N . 30770 1 812 . 1 . 1 238 238 GLU H H 1 9.405 0.00 . . . . . . A 485 GLU H . 30770 1 813 . 1 . 1 238 238 GLU N N 15 127.966 0.00 . . . . . . A 485 GLU N . 30770 1 814 . 1 . 1 239 239 LYS H H 1 9.199 0.00 . . . . . . A 486 LYS H . 30770 1 815 . 1 . 1 239 239 LYS N N 15 116.701 0.00 . . . . . . A 486 LYS N . 30770 1 816 . 1 . 1 240 240 VAL H H 1 6.799 0.00 . . . . . . A 487 VAL H . 30770 1 817 . 1 . 1 240 240 VAL HG11 H 1 1.029 0.00 . . . . . . A 487 VAL HG11 . 30770 1 818 . 1 . 1 240 240 VAL HG12 H 1 1.029 0.00 . . . . . . A 487 VAL HG12 . 30770 1 819 . 1 . 1 240 240 VAL HG13 H 1 1.029 0.00 . . . . . . A 487 VAL HG13 . 30770 1 820 . 1 . 1 240 240 VAL HG21 H 1 0.955 0.00 . . . . . . A 487 VAL HG21 . 30770 1 821 . 1 . 1 240 240 VAL HG22 H 1 0.955 0.00 . . . . . . A 487 VAL HG22 . 30770 1 822 . 1 . 1 240 240 VAL HG23 H 1 0.955 0.00 . . . . . . A 487 VAL HG23 . 30770 1 823 . 1 . 1 240 240 VAL CG1 C 13 23.148 0.00 . . . . . . A 487 VAL CG1 . 30770 1 824 . 1 . 1 240 240 VAL CG2 C 13 21.488 0.00 . . . . . . A 487 VAL CG2 . 30770 1 825 . 1 . 1 240 240 VAL N N 15 117.726 0.00 . . . . . . A 487 VAL N . 30770 1 826 . 1 . 1 241 241 TYR H H 1 7.779 0.00 . . . . . . A 488 TYR H . 30770 1 827 . 1 . 1 241 241 TYR N N 15 121.008 0.00 . . . . . . A 488 TYR N . 30770 1 828 . 1 . 1 242 242 GLU H H 1 8.383 0.00 . . . . . . A 489 GLU H . 30770 1 829 . 1 . 1 242 242 GLU N N 15 117.431 0.00 . . . . . . A 489 GLU N . 30770 1 830 . 1 . 1 243 243 LEU H H 1 6.952 0.00 . . . . . . A 490 LEU H . 30770 1 831 . 1 . 1 243 243 LEU HD11 H 1 0.434 0.00 . . . . . . A 490 LEU HD11 . 30770 1 832 . 1 . 1 243 243 LEU HD12 H 1 0.434 0.00 . . . . . . A 490 LEU HD12 . 30770 1 833 . 1 . 1 243 243 LEU HD13 H 1 0.434 0.00 . . . . . . A 490 LEU HD13 . 30770 1 834 . 1 . 1 243 243 LEU HD21 H 1 0.614 0.00 . . . . . . A 490 LEU HD21 . 30770 1 835 . 1 . 1 243 243 LEU HD22 H 1 0.614 0.00 . . . . . . A 490 LEU HD22 . 30770 1 836 . 1 . 1 243 243 LEU HD23 H 1 0.614 0.00 . . . . . . A 490 LEU HD23 . 30770 1 837 . 1 . 1 243 243 LEU CD1 C 13 25.730 0.00 . . . . . . A 490 LEU CD1 . 30770 1 838 . 1 . 1 243 243 LEU CD2 C 13 24.067 0.00 . . . . . . A 490 LEU CD2 . 30770 1 839 . 1 . 1 243 243 LEU N N 15 120.941 0.00 . . . . . . A 490 LEU N . 30770 1 840 . 1 . 1 244 244 MET HE1 H 1 1.942 0.00 . . . . . . A 491 MET HE1 . 30770 1 841 . 1 . 1 244 244 MET HE2 H 1 1.942 0.00 . . . . . . A 491 MET HE2 . 30770 1 842 . 1 . 1 244 244 MET HE3 H 1 1.942 0.00 . . . . . . A 491 MET HE3 . 30770 1 843 . 1 . 1 244 244 MET CE C 13 18.330 0.00 . . . . . . A 491 MET CE . 30770 1 844 . 1 . 1 246 246 ALA HB1 H 1 1.416 0.00 . . . . . . A 493 ALA HB1 . 30770 1 845 . 1 . 1 246 246 ALA HB2 H 1 1.416 0.00 . . . . . . A 493 ALA HB2 . 30770 1 846 . 1 . 1 246 246 ALA HB3 H 1 1.416 0.00 . . . . . . A 493 ALA HB3 . 30770 1 847 . 1 . 1 246 246 ALA CB C 13 17.460 0.00 . . . . . . A 493 ALA CB . 30770 1 848 . 1 . 1 248 248 TRP H H 1 7.699 0.00 . . . . . . A 495 TRP H . 30770 1 849 . 1 . 1 248 248 TRP HE1 H 1 10.460 0.00 . . . . . . A 495 TRP HE1 . 30770 1 850 . 1 . 1 248 248 TRP N N 15 124.586 0.00 . . . . . . A 495 TRP N . 30770 1 851 . 1 . 1 248 248 TRP NE1 N 15 133.029 0.00 . . . . . . A 495 TRP NE1 . 30770 1 852 . 1 . 1 249 249 GLN H H 1 6.936 0.00 . . . . . . A 496 GLN H . 30770 1 853 . 1 . 1 249 249 GLN N N 15 119.266 0.00 . . . . . . A 496 GLN N . 30770 1 854 . 1 . 1 250 250 TRP H H 1 9.545 0.00 . . . . . . A 497 TRP H . 30770 1 855 . 1 . 1 250 250 TRP HE1 H 1 10.074 0.00 . . . . . . A 497 TRP HE1 . 30770 1 856 . 1 . 1 250 250 TRP N N 15 125.009 0.00 . . . . . . A 497 TRP N . 30770 1 857 . 1 . 1 250 250 TRP NE1 N 15 129.384 0.00 . . . . . . A 497 TRP NE1 . 30770 1 858 . 1 . 1 251 251 ASN H H 1 8.895 0.00 . . . . . . A 498 ASN H . 30770 1 859 . 1 . 1 251 251 ASN N N 15 116.344 0.00 . . . . . . A 498 ASN N . 30770 1 860 . 1 . 1 253 253 SER H H 1 7.777 0.00 . . . . . . A 500 SER H . 30770 1 861 . 1 . 1 253 253 SER N N 15 108.092 0.00 . . . . . . A 500 SER N . 30770 1 862 . 1 . 1 254 254 ASP H H 1 7.763 0.00 . . . . . . A 501 ASP H . 30770 1 863 . 1 . 1 254 254 ASP N N 15 118.928 0.00 . . . . . . A 501 ASP N . 30770 1 864 . 1 . 1 255 255 ARG H H 1 7.343 0.00 . . . . . . A 502 ARG H . 30770 1 865 . 1 . 1 255 255 ARG N N 15 120.751 0.00 . . . . . . A 502 ARG N . 30770 1 866 . 1 . 1 257 257 SER H H 1 7.959 0.00 . . . . . . A 504 SER H . 30770 1 867 . 1 . 1 257 257 SER N N 15 110.190 0.00 . . . . . . A 504 SER N . 30770 1 868 . 1 . 1 258 258 PHE H H 1 11.410 0.00 . . . . . . A 505 PHE H . 30770 1 869 . 1 . 1 258 258 PHE N N 15 122.413 0.00 . . . . . . A 505 PHE N . 30770 1 870 . 1 . 1 259 259 ALA H H 1 8.809 0.00 . . . . . . A 506 ALA H . 30770 1 871 . 1 . 1 259 259 ALA HB1 H 1 1.499 0.00 . . . . . . A 506 ALA HB1 . 30770 1 872 . 1 . 1 259 259 ALA HB2 H 1 1.499 0.00 . . . . . . A 506 ALA HB2 . 30770 1 873 . 1 . 1 259 259 ALA HB3 H 1 1.499 0.00 . . . . . . A 506 ALA HB3 . 30770 1 874 . 1 . 1 259 259 ALA CB C 13 18.000 0.00 . . . . . . A 506 ALA CB . 30770 1 875 . 1 . 1 259 259 ALA N N 15 123.806 0.00 . . . . . . A 506 ALA N . 30770 1 876 . 1 . 1 260 260 GLU H H 1 7.902 0.00 . . . . . . A 507 GLU H . 30770 1 877 . 1 . 1 260 260 GLU N N 15 119.824 0.00 . . . . . . A 507 GLU N . 30770 1 878 . 1 . 1 261 261 ILE HD11 H 1 0.432 0.00 . . . . . . A 508 ILE HD11 . 30770 1 879 . 1 . 1 261 261 ILE HD12 H 1 0.432 0.00 . . . . . . A 508 ILE HD12 . 30770 1 880 . 1 . 1 261 261 ILE HD13 H 1 0.432 0.00 . . . . . . A 508 ILE HD13 . 30770 1 881 . 1 . 1 261 261 ILE CD1 C 13 14.679 0.00 . . . . . . A 508 ILE CD1 . 30770 1 882 . 1 . 1 262 262 HIS H H 1 9.318 0.00 . . . . . . A 509 HIS H . 30770 1 883 . 1 . 1 262 262 HIS N N 15 117.836 0.00 . . . . . . A 509 HIS N . 30770 1 884 . 1 . 1 263 263 GLN H H 1 7.839 0.00 . . . . . . A 510 GLN H . 30770 1 885 . 1 . 1 263 263 GLN N N 15 118.271 0.00 . . . . . . A 510 GLN N . 30770 1 886 . 1 . 1 264 264 ALA H H 1 7.865 0.00 . . . . . . A 511 ALA H . 30770 1 887 . 1 . 1 264 264 ALA HB1 H 1 1.314 0.00 . . . . . . A 511 ALA HB1 . 30770 1 888 . 1 . 1 264 264 ALA HB2 H 1 1.314 0.00 . . . . . . A 511 ALA HB2 . 30770 1 889 . 1 . 1 264 264 ALA HB3 H 1 1.314 0.00 . . . . . . A 511 ALA HB3 . 30770 1 890 . 1 . 1 264 264 ALA CB C 13 17.561 0.00 . . . . . . A 511 ALA CB . 30770 1 891 . 1 . 1 264 264 ALA N N 15 122.045 0.00 . . . . . . A 511 ALA N . 30770 1 892 . 1 . 1 265 265 PHE HE1 H 1 7.233 0.00 . . . . . . A 512 PHE HE1 . 30770 1 893 . 1 . 1 265 265 PHE HE2 H 1 7.233 0.00 . . . . . . A 512 PHE HE2 . 30770 1 894 . 1 . 1 265 265 PHE CE1 C 13 127.954 0.00 . . . . . . A 512 PHE CE1 . 30770 1 895 . 1 . 1 265 265 PHE CE2 C 13 127.954 0.00 . . . . . . A 512 PHE CE2 . 30770 1 896 . 1 . 1 266 266 GLU H H 1 8.809 0.00 . . . . . . A 513 GLU H . 30770 1 897 . 1 . 1 266 266 GLU N N 15 120.088 0.00 . . . . . . A 513 GLU N . 30770 1 898 . 1 . 1 267 267 THR H H 1 7.992 0.00 . . . . . . A 514 THR H . 30770 1 899 . 1 . 1 267 267 THR HG21 H 1 1.162 0.00 . . . . . . A 514 THR HG21 . 30770 1 900 . 1 . 1 267 267 THR HG22 H 1 1.162 0.00 . . . . . . A 514 THR HG22 . 30770 1 901 . 1 . 1 267 267 THR HG23 H 1 1.162 0.00 . . . . . . A 514 THR HG23 . 30770 1 902 . 1 . 1 267 267 THR CG2 C 13 21.455 0.00 . . . . . . A 514 THR CG2 . 30770 1 903 . 1 . 1 267 267 THR N N 15 115.455 0.00 . . . . . . A 514 THR N . 30770 1 904 . 1 . 1 268 268 MET HE1 H 1 1.346 0.00 . . . . . . A 515 MET HE1 . 30770 1 905 . 1 . 1 268 268 MET HE2 H 1 1.346 0.00 . . . . . . A 515 MET HE2 . 30770 1 906 . 1 . 1 268 268 MET HE3 H 1 1.346 0.00 . . . . . . A 515 MET HE3 . 30770 1 907 . 1 . 1 268 268 MET CE C 13 16.690 0.00 . . . . . . A 515 MET CE . 30770 1 908 . 1 . 1 269 269 PHE H H 1 9.280 0.00 . . . . . . A 516 PHE H . 30770 1 909 . 1 . 1 269 269 PHE HE1 H 1 7.292 0.00 . . . . . . A 516 PHE HE1 . 30770 1 910 . 1 . 1 269 269 PHE HE2 H 1 7.292 0.00 . . . . . . A 516 PHE HE2 . 30770 1 911 . 1 . 1 269 269 PHE CE1 C 13 129.153 0.00 . . . . . . A 516 PHE CE1 . 30770 1 912 . 1 . 1 269 269 PHE CE2 C 13 129.153 0.00 . . . . . . A 516 PHE CE2 . 30770 1 913 . 1 . 1 269 269 PHE N N 15 121.135 0.00 . . . . . . A 516 PHE N . 30770 1 914 . 1 . 1 270 270 GLN H H 1 8.416 0.00 . . . . . . A 517 GLN H . 30770 1 915 . 1 . 1 270 270 GLN N N 15 120.606 0.00 . . . . . . A 517 GLN N . 30770 1 916 . 1 . 1 271 271 GLU H H 1 8.005 0.00 . . . . . . A 518 GLU H . 30770 1 917 . 1 . 1 271 271 GLU N N 15 118.131 0.00 . . . . . . A 518 GLU N . 30770 1 918 . 1 . 1 272 272 SER H H 1 7.797 0.00 . . . . . . A 519 SER H . 30770 1 919 . 1 . 1 272 272 SER N N 15 114.517 0.00 . . . . . . A 519 SER N . 30770 1 920 . 1 . 1 273 273 SER H H 1 7.706 0.00 . . . . . . A 520 SER H . 30770 1 921 . 1 . 1 273 273 SER N N 15 116.547 0.00 . . . . . . A 520 SER N . 30770 1 922 . 1 . 1 274 274 ILE H H 1 7.670 0.00 . . . . . . A 521 ILE H . 30770 1 923 . 1 . 1 274 274 ILE HD11 H 1 0.783 0.00 . . . . . . A 521 ILE HD11 . 30770 1 924 . 1 . 1 274 274 ILE HD12 H 1 0.783 0.00 . . . . . . A 521 ILE HD12 . 30770 1 925 . 1 . 1 274 274 ILE HD13 H 1 0.783 0.00 . . . . . . A 521 ILE HD13 . 30770 1 926 . 1 . 1 274 274 ILE CD1 C 13 12.825 0.00 . . . . . . A 521 ILE CD1 . 30770 1 927 . 1 . 1 274 274 ILE N N 15 121.818 0.00 . . . . . . A 521 ILE N . 30770 1 928 . 1 . 1 275 275 SER H H 1 8.176 0.00 . . . . . . A 522 SER H . 30770 1 929 . 1 . 1 275 275 SER N N 15 119.100 0.00 . . . . . . A 522 SER N . 30770 1 930 . 1 . 1 276 276 ASP H H 1 8.331 0.00 . . . . . . A 523 ASP H . 30770 1 931 . 1 . 1 276 276 ASP N N 15 122.947 0.00 . . . . . . A 523 ASP N . 30770 1 932 . 1 . 1 277 277 GLU H H 1 8.213 0.00 . . . . . . A 524 GLU H . 30770 1 933 . 1 . 1 277 277 GLU N N 15 120.689 0.00 . . . . . . A 524 GLU N . 30770 1 934 . 1 . 1 278 278 VAL H H 1 8.036 0.00 . . . . . . A 525 VAL H . 30770 1 935 . 1 . 1 278 278 VAL HG11 H 1 0.917 0.00 . . . . . . A 525 VAL HG11 . 30770 1 936 . 1 . 1 278 278 VAL HG12 H 1 0.917 0.00 . . . . . . A 525 VAL HG12 . 30770 1 937 . 1 . 1 278 278 VAL HG13 H 1 0.917 0.00 . . . . . . A 525 VAL HG13 . 30770 1 938 . 1 . 1 278 278 VAL HG21 H 1 0.882 0.00 . . . . . . A 525 VAL HG21 . 30770 1 939 . 1 . 1 278 278 VAL HG22 H 1 0.882 0.00 . . . . . . A 525 VAL HG22 . 30770 1 940 . 1 . 1 278 278 VAL HG23 H 1 0.882 0.00 . . . . . . A 525 VAL HG23 . 30770 1 941 . 1 . 1 278 278 VAL CG1 C 13 21.011 0.00 . . . . . . A 525 VAL CG1 . 30770 1 942 . 1 . 1 278 278 VAL CG2 C 13 20.974 0.00 . . . . . . A 525 VAL CG2 . 30770 1 943 . 1 . 1 278 278 VAL N N 15 121.370 0.00 . . . . . . A 525 VAL N . 30770 1 944 . 1 . 1 279 279 GLU H H 1 8.367 0.00 . . . . . . A 526 GLU H . 30770 1 945 . 1 . 1 279 279 GLU N N 15 123.475 0.00 . . . . . . A 526 GLU N . 30770 1 946 . 1 . 1 280 280 LYS H H 1 8.210 0.00 . . . . . . A 527 LYS H . 30770 1 947 . 1 . 1 280 280 LYS N N 15 122.160 0.00 . . . . . . A 527 LYS N . 30770 1 948 . 1 . 1 281 281 GLU H H 1 8.269 0.00 . . . . . . A 528 GLU H . 30770 1 949 . 1 . 1 281 281 GLU N N 15 121.315 0.00 . . . . . . A 528 GLU N . 30770 1 950 . 1 . 1 282 282 LEU H H 1 8.258 0.00 . . . . . . A 529 LEU H . 30770 1 951 . 1 . 1 282 282 LEU HD11 H 1 0.859 0.00 . . . . . . A 529 LEU HD11 . 30770 1 952 . 1 . 1 282 282 LEU HD12 H 1 0.859 0.00 . . . . . . A 529 LEU HD12 . 30770 1 953 . 1 . 1 282 282 LEU HD13 H 1 0.859 0.00 . . . . . . A 529 LEU HD13 . 30770 1 954 . 1 . 1 282 282 LEU HD21 H 1 0.805 0.00 . . . . . . A 529 LEU HD21 . 30770 1 955 . 1 . 1 282 282 LEU HD22 H 1 0.805 0.00 . . . . . . A 529 LEU HD22 . 30770 1 956 . 1 . 1 282 282 LEU HD23 H 1 0.805 0.00 . . . . . . A 529 LEU HD23 . 30770 1 957 . 1 . 1 282 282 LEU CD1 C 13 24.781 0.00 . . . . . . A 529 LEU CD1 . 30770 1 958 . 1 . 1 282 282 LEU CD2 C 13 23.095 0.00 . . . . . . A 529 LEU CD2 . 30770 1 959 . 1 . 1 282 282 LEU N N 15 122.966 0.00 . . . . . . A 529 LEU N . 30770 1 960 . 1 . 1 283 283 GLY H H 1 8.343 0.00 . . . . . . A 530 GLY H . 30770 1 961 . 1 . 1 283 283 GLY N N 15 108.982 0.00 . . . . . . A 530 GLY N . 30770 1 962 . 1 . 1 284 284 LYS H H 1 8.008 0.00 . . . . . . A 531 LYS H . 30770 1 963 . 1 . 1 284 284 LYS N N 15 120.800 0.00 . . . . . . A 531 LYS N . 30770 1 964 . 1 . 1 285 285 GLN H H 1 8.432 0.00 . . . . . . A 532 GLN H . 30770 1 965 . 1 . 1 285 285 GLN N N 15 121.622 0.00 . . . . . . A 532 GLN N . 30770 1 966 . 1 . 1 286 286 GLY H H 1 8.420 0.00 . . . . . . A 533 GLY H . 30770 1 967 . 1 . 1 286 286 GLY N N 15 110.872 0.00 . . . . . . A 533 GLY N . 30770 1 968 . 1 . 1 287 287 VAL H H 1 7.598 0.00 . . . . . . A 534 VAL H . 30770 1 969 . 1 . 1 287 287 VAL HG11 H 1 0.846 0.00 . . . . . . A 534 VAL HG11 . 30770 1 970 . 1 . 1 287 287 VAL HG12 H 1 0.846 0.00 . . . . . . A 534 VAL HG12 . 30770 1 971 . 1 . 1 287 287 VAL HG13 H 1 0.846 0.00 . . . . . . A 534 VAL HG13 . 30770 1 972 . 1 . 1 287 287 VAL HG21 H 1 0.805 0.00 . . . . . . A 534 VAL HG21 . 30770 1 973 . 1 . 1 287 287 VAL HG22 H 1 0.805 0.00 . . . . . . A 534 VAL HG22 . 30770 1 974 . 1 . 1 287 287 VAL HG23 H 1 0.805 0.00 . . . . . . A 534 VAL HG23 . 30770 1 975 . 1 . 1 287 287 VAL CG1 C 13 21.402 0.00 . . . . . . A 534 VAL CG1 . 30770 1 976 . 1 . 1 287 287 VAL CG2 C 13 19.747 0.00 . . . . . . A 534 VAL CG2 . 30770 1 977 . 1 . 1 287 287 VAL N N 15 122.800 0.00 . . . . . . A 534 VAL N . 30770 1 stop_ save_