data_31233 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31233 _Entry.Title ; Ground state of Src kinase domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-14 _Entry.Accession_date 2025-03-14 _Entry.Last_release_date 2025-06-12 _Entry.Original_release_date 2025-06-12 _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 Y. Cui Y. . . . 31233 2 R. Ali R. . . . 31233 3 M. Clay M. . . . 31233 4 P. Rossi P. . . . 31233 5 A. Liu A. . . . 31233 6 D. Yang D. . . . 31233 7 N. Gough N. . . . 31233 8 T. Geiger T. . . . 31233 9 C. Kalodimos C. . . . 31233 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Active state kinase src' . 31233 'SIGNALING PROTEIN' . 31233 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 31233 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 745 31233 '15N chemical shifts' 413 31233 '1H chemical shifts' 970 31233 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-01-18 . original BMRB . 31233 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9NS0 'BMRB Entry Tracking System' 31233 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31233 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ground state of Src kinase domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Y. Cui Y. . . . 31233 1 2 R. Ali R. . . . 31233 1 3 M. Clay M. . . . 31233 1 4 P. Rossi P. . . . 31233 1 5 A. Liu A. . . . 31233 1 6 D. Yang D. . . . 31233 1 7 N. Gough N. . . . 31233 1 8 T. Geiger T. . . . 31233 1 9 C. Kalodimos C. . . . 31233 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31233 _Assembly.ID 1 _Assembly.Name 'Proto-oncogene tyrosine-protein kinase Src (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 . . . . . . 31233 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31233 _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 ; SKPQTQGLAKDAWEIPRESL RLEVKLGQGCFGEVWMGTWN GTTRVAIKTLKPGTMSPEAF LQEAQVMKKLRHEKLVQLYA VVSEEPIYIVTEYMSKGSLL DFLKGETGKYLRLPQLVDMA AQIASGMAYVERMNYVHRDL RAANILVGENLVCKVADFGL ARLIEDNEXTARQGAKFPIK WTAPEAALYGRFTIKSDVWS FGILLTELTTKGRVPYPGMV NREVLDQVERGYRMPCPPEC PESLHDLMCQCWRKEPEERP TFEYLQAFLEDYFTSTEPQY QPGENL ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 286 _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 32777.539 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Phosphorylated pY419' _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 'Proto-oncogene c-Src' common 31233 1 p60-Src common 31233 1 pp60c-src common 31233 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 1 251 SER . 31233 1 2 252 LYS . 31233 1 3 253 PRO . 31233 1 4 254 GLN . 31233 1 5 255 THR . 31233 1 6 256 GLN . 31233 1 7 257 GLY . 31233 1 8 258 LEU . 31233 1 9 259 ALA . 31233 1 10 260 LYS . 31233 1 11 261 ASP . 31233 1 12 262 ALA . 31233 1 13 263 TRP . 31233 1 14 264 GLU . 31233 1 15 265 ILE . 31233 1 16 266 PRO . 31233 1 17 267 ARG . 31233 1 18 268 GLU . 31233 1 19 269 SER . 31233 1 20 270 LEU . 31233 1 21 271 ARG . 31233 1 22 272 LEU . 31233 1 23 273 GLU . 31233 1 24 274 VAL . 31233 1 25 275 LYS . 31233 1 26 276 LEU . 31233 1 27 277 GLY . 31233 1 28 278 GLN . 31233 1 29 279 GLY . 31233 1 30 280 CYS . 31233 1 31 281 PHE . 31233 1 32 282 GLY . 31233 1 33 283 GLU . 31233 1 34 284 VAL . 31233 1 35 285 TRP . 31233 1 36 286 MET . 31233 1 37 287 GLY . 31233 1 38 288 THR . 31233 1 39 289 TRP . 31233 1 40 290 ASN . 31233 1 41 291 GLY . 31233 1 42 292 THR . 31233 1 43 293 THR . 31233 1 44 294 ARG . 31233 1 45 295 VAL . 31233 1 46 296 ALA . 31233 1 47 297 ILE . 31233 1 48 298 LYS . 31233 1 49 299 THR . 31233 1 50 300 LEU . 31233 1 51 301 LYS . 31233 1 52 302 PRO . 31233 1 53 303 GLY . 31233 1 54 304 THR . 31233 1 55 305 MET . 31233 1 56 306 SER . 31233 1 57 307 PRO . 31233 1 58 308 GLU . 31233 1 59 309 ALA . 31233 1 60 310 PHE . 31233 1 61 311 LEU . 31233 1 62 312 GLN . 31233 1 63 313 GLU . 31233 1 64 314 ALA . 31233 1 65 315 GLN . 31233 1 66 316 VAL . 31233 1 67 317 MET . 31233 1 68 318 LYS . 31233 1 69 319 LYS . 31233 1 70 320 LEU . 31233 1 71 321 ARG . 31233 1 72 322 HIS . 31233 1 73 323 GLU . 31233 1 74 324 LYS . 31233 1 75 325 LEU . 31233 1 76 326 VAL . 31233 1 77 327 GLN . 31233 1 78 328 LEU . 31233 1 79 329 TYR . 31233 1 80 330 ALA . 31233 1 81 331 VAL . 31233 1 82 332 VAL . 31233 1 83 333 SER . 31233 1 84 334 GLU . 31233 1 85 335 GLU . 31233 1 86 336 PRO . 31233 1 87 337 ILE . 31233 1 88 338 TYR . 31233 1 89 339 ILE . 31233 1 90 340 VAL . 31233 1 91 341 THR . 31233 1 92 342 GLU . 31233 1 93 343 TYR . 31233 1 94 344 MET . 31233 1 95 345 SER . 31233 1 96 346 LYS . 31233 1 97 347 GLY . 31233 1 98 348 SER . 31233 1 99 349 LEU . 31233 1 100 350 LEU . 31233 1 101 351 ASP . 31233 1 102 352 PHE . 31233 1 103 353 LEU . 31233 1 104 354 LYS . 31233 1 105 355 GLY . 31233 1 106 356 GLU . 31233 1 107 357 THR . 31233 1 108 358 GLY . 31233 1 109 359 LYS . 31233 1 110 360 TYR . 31233 1 111 361 LEU . 31233 1 112 362 ARG . 31233 1 113 363 LEU . 31233 1 114 364 PRO . 31233 1 115 365 GLN . 31233 1 116 366 LEU . 31233 1 117 367 VAL . 31233 1 118 368 ASP . 31233 1 119 369 MET . 31233 1 120 370 ALA . 31233 1 121 371 ALA . 31233 1 122 372 GLN . 31233 1 123 373 ILE . 31233 1 124 374 ALA . 31233 1 125 375 SER . 31233 1 126 376 GLY . 31233 1 127 377 MET . 31233 1 128 378 ALA . 31233 1 129 379 TYR . 31233 1 130 380 VAL . 31233 1 131 381 GLU . 31233 1 132 382 ARG . 31233 1 133 383 MET . 31233 1 134 384 ASN . 31233 1 135 385 TYR . 31233 1 136 386 VAL . 31233 1 137 387 HIS . 31233 1 138 388 ARG . 31233 1 139 389 ASP . 31233 1 140 390 LEU . 31233 1 141 391 ARG . 31233 1 142 392 ALA . 31233 1 143 393 ALA . 31233 1 144 394 ASN . 31233 1 145 395 ILE . 31233 1 146 396 LEU . 31233 1 147 397 VAL . 31233 1 148 398 GLY . 31233 1 149 399 GLU . 31233 1 150 400 ASN . 31233 1 151 401 LEU . 31233 1 152 402 VAL . 31233 1 153 403 CYS . 31233 1 154 404 LYS . 31233 1 155 405 VAL . 31233 1 156 406 ALA . 31233 1 157 407 ASP . 31233 1 158 408 PHE . 31233 1 159 409 GLY . 31233 1 160 410 LEU . 31233 1 161 411 ALA . 31233 1 162 412 ARG . 31233 1 163 413 LEU . 31233 1 164 414 ILE . 31233 1 165 415 GLU . 31233 1 166 416 ASP . 31233 1 167 417 ASN . 31233 1 168 418 GLU . 31233 1 169 419 PTR . 31233 1 170 420 THR . 31233 1 171 421 ALA . 31233 1 172 422 ARG . 31233 1 173 423 GLN . 31233 1 174 424 GLY . 31233 1 175 425 ALA . 31233 1 176 426 LYS . 31233 1 177 427 PHE . 31233 1 178 428 PRO . 31233 1 179 429 ILE . 31233 1 180 430 LYS . 31233 1 181 431 TRP . 31233 1 182 432 THR . 31233 1 183 433 ALA . 31233 1 184 434 PRO . 31233 1 185 435 GLU . 31233 1 186 436 ALA . 31233 1 187 437 ALA . 31233 1 188 438 LEU . 31233 1 189 439 TYR . 31233 1 190 440 GLY . 31233 1 191 441 ARG . 31233 1 192 442 PHE . 31233 1 193 443 THR . 31233 1 194 444 ILE . 31233 1 195 445 LYS . 31233 1 196 446 SER . 31233 1 197 447 ASP . 31233 1 198 448 VAL . 31233 1 199 449 TRP . 31233 1 200 450 SER . 31233 1 201 451 PHE . 31233 1 202 452 GLY . 31233 1 203 453 ILE . 31233 1 204 454 LEU . 31233 1 205 455 LEU . 31233 1 206 456 THR . 31233 1 207 457 GLU . 31233 1 208 458 LEU . 31233 1 209 459 THR . 31233 1 210 460 THR . 31233 1 211 461 LYS . 31233 1 212 462 GLY . 31233 1 213 463 ARG . 31233 1 214 464 VAL . 31233 1 215 465 PRO . 31233 1 216 466 TYR . 31233 1 217 467 PRO . 31233 1 218 468 GLY . 31233 1 219 469 MET . 31233 1 220 470 VAL . 31233 1 221 471 ASN . 31233 1 222 472 ARG . 31233 1 223 473 GLU . 31233 1 224 474 VAL . 31233 1 225 475 LEU . 31233 1 226 476 ASP . 31233 1 227 477 GLN . 31233 1 228 478 VAL . 31233 1 229 479 GLU . 31233 1 230 480 ARG . 31233 1 231 481 GLY . 31233 1 232 482 TYR . 31233 1 233 483 ARG . 31233 1 234 484 MET . 31233 1 235 485 PRO . 31233 1 236 486 CYS . 31233 1 237 487 PRO . 31233 1 238 488 PRO . 31233 1 239 489 GLU . 31233 1 240 490 CYS . 31233 1 241 491 PRO . 31233 1 242 492 GLU . 31233 1 243 493 SER . 31233 1 244 494 LEU . 31233 1 245 495 HIS . 31233 1 246 496 ASP . 31233 1 247 497 LEU . 31233 1 248 498 MET . 31233 1 249 499 CYS . 31233 1 250 500 GLN . 31233 1 251 501 CYS . 31233 1 252 502 TRP . 31233 1 253 503 ARG . 31233 1 254 504 LYS . 31233 1 255 505 GLU . 31233 1 256 506 PRO . 31233 1 257 507 GLU . 31233 1 258 508 GLU . 31233 1 259 509 ARG . 31233 1 260 510 PRO . 31233 1 261 511 THR . 31233 1 262 512 PHE . 31233 1 263 513 GLU . 31233 1 264 514 TYR . 31233 1 265 515 LEU . 31233 1 266 516 GLN . 31233 1 267 517 ALA . 31233 1 268 518 PHE . 31233 1 269 519 LEU . 31233 1 270 520 GLU . 31233 1 271 521 ASP . 31233 1 272 522 TYR . 31233 1 273 523 PHE . 31233 1 274 524 THR . 31233 1 275 525 SER . 31233 1 276 526 THR . 31233 1 277 527 GLU . 31233 1 278 528 PRO . 31233 1 279 529 GLN . 31233 1 280 530 TYR . 31233 1 281 531 GLN . 31233 1 282 532 PRO . 31233 1 283 533 GLY . 31233 1 284 534 GLU . 31233 1 285 535 ASN . 31233 1 286 536 LEU . 31233 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 31233 1 . LYS 2 2 31233 1 . PRO 3 3 31233 1 . GLN 4 4 31233 1 . THR 5 5 31233 1 . GLN 6 6 31233 1 . GLY 7 7 31233 1 . LEU 8 8 31233 1 . ALA 9 9 31233 1 . LYS 10 10 31233 1 . ASP 11 11 31233 1 . ALA 12 12 31233 1 . TRP 13 13 31233 1 . GLU 14 14 31233 1 . ILE 15 15 31233 1 . PRO 16 16 31233 1 . ARG 17 17 31233 1 . GLU 18 18 31233 1 . SER 19 19 31233 1 . LEU 20 20 31233 1 . ARG 21 21 31233 1 . LEU 22 22 31233 1 . GLU 23 23 31233 1 . VAL 24 24 31233 1 . LYS 25 25 31233 1 . LEU 26 26 31233 1 . GLY 27 27 31233 1 . GLN 28 28 31233 1 . GLY 29 29 31233 1 . CYS 30 30 31233 1 . PHE 31 31 31233 1 . GLY 32 32 31233 1 . GLU 33 33 31233 1 . VAL 34 34 31233 1 . TRP 35 35 31233 1 . MET 36 36 31233 1 . GLY 37 37 31233 1 . THR 38 38 31233 1 . TRP 39 39 31233 1 . ASN 40 40 31233 1 . GLY 41 41 31233 1 . THR 42 42 31233 1 . THR 43 43 31233 1 . ARG 44 44 31233 1 . VAL 45 45 31233 1 . ALA 46 46 31233 1 . ILE 47 47 31233 1 . LYS 48 48 31233 1 . THR 49 49 31233 1 . LEU 50 50 31233 1 . LYS 51 51 31233 1 . PRO 52 52 31233 1 . GLY 53 53 31233 1 . THR 54 54 31233 1 . MET 55 55 31233 1 . SER 56 56 31233 1 . PRO 57 57 31233 1 . GLU 58 58 31233 1 . ALA 59 59 31233 1 . PHE 60 60 31233 1 . LEU 61 61 31233 1 . GLN 62 62 31233 1 . GLU 63 63 31233 1 . ALA 64 64 31233 1 . GLN 65 65 31233 1 . VAL 66 66 31233 1 . MET 67 67 31233 1 . LYS 68 68 31233 1 . LYS 69 69 31233 1 . LEU 70 70 31233 1 . ARG 71 71 31233 1 . HIS 72 72 31233 1 . GLU 73 73 31233 1 . LYS 74 74 31233 1 . LEU 75 75 31233 1 . VAL 76 76 31233 1 . GLN 77 77 31233 1 . LEU 78 78 31233 1 . TYR 79 79 31233 1 . ALA 80 80 31233 1 . VAL 81 81 31233 1 . VAL 82 82 31233 1 . SER 83 83 31233 1 . GLU 84 84 31233 1 . GLU 85 85 31233 1 . PRO 86 86 31233 1 . ILE 87 87 31233 1 . TYR 88 88 31233 1 . ILE 89 89 31233 1 . VAL 90 90 31233 1 . THR 91 91 31233 1 . GLU 92 92 31233 1 . TYR 93 93 31233 1 . MET 94 94 31233 1 . SER 95 95 31233 1 . LYS 96 96 31233 1 . GLY 97 97 31233 1 . SER 98 98 31233 1 . LEU 99 99 31233 1 . LEU 100 100 31233 1 . ASP 101 101 31233 1 . PHE 102 102 31233 1 . LEU 103 103 31233 1 . LYS 104 104 31233 1 . GLY 105 105 31233 1 . GLU 106 106 31233 1 . THR 107 107 31233 1 . GLY 108 108 31233 1 . LYS 109 109 31233 1 . TYR 110 110 31233 1 . LEU 111 111 31233 1 . ARG 112 112 31233 1 . LEU 113 113 31233 1 . PRO 114 114 31233 1 . GLN 115 115 31233 1 . LEU 116 116 31233 1 . VAL 117 117 31233 1 . ASP 118 118 31233 1 . MET 119 119 31233 1 . ALA 120 120 31233 1 . ALA 121 121 31233 1 . GLN 122 122 31233 1 . ILE 123 123 31233 1 . ALA 124 124 31233 1 . SER 125 125 31233 1 . GLY 126 126 31233 1 . MET 127 127 31233 1 . ALA 128 128 31233 1 . TYR 129 129 31233 1 . VAL 130 130 31233 1 . GLU 131 131 31233 1 . ARG 132 132 31233 1 . MET 133 133 31233 1 . ASN 134 134 31233 1 . TYR 135 135 31233 1 . VAL 136 136 31233 1 . HIS 137 137 31233 1 . ARG 138 138 31233 1 . ASP 139 139 31233 1 . LEU 140 140 31233 1 . ARG 141 141 31233 1 . ALA 142 142 31233 1 . ALA 143 143 31233 1 . ASN 144 144 31233 1 . ILE 145 145 31233 1 . LEU 146 146 31233 1 . VAL 147 147 31233 1 . GLY 148 148 31233 1 . GLU 149 149 31233 1 . ASN 150 150 31233 1 . LEU 151 151 31233 1 . VAL 152 152 31233 1 . CYS 153 153 31233 1 . LYS 154 154 31233 1 . VAL 155 155 31233 1 . ALA 156 156 31233 1 . ASP 157 157 31233 1 . PHE 158 158 31233 1 . GLY 159 159 31233 1 . LEU 160 160 31233 1 . ALA 161 161 31233 1 . ARG 162 162 31233 1 . LEU 163 163 31233 1 . ILE 164 164 31233 1 . GLU 165 165 31233 1 . ASP 166 166 31233 1 . ASN 167 167 31233 1 . GLU 168 168 31233 1 . PTR 169 169 31233 1 . THR 170 170 31233 1 . ALA 171 171 31233 1 . ARG 172 172 31233 1 . GLN 173 173 31233 1 . GLY 174 174 31233 1 . ALA 175 175 31233 1 . LYS 176 176 31233 1 . PHE 177 177 31233 1 . PRO 178 178 31233 1 . ILE 179 179 31233 1 . LYS 180 180 31233 1 . TRP 181 181 31233 1 . THR 182 182 31233 1 . ALA 183 183 31233 1 . PRO 184 184 31233 1 . GLU 185 185 31233 1 . ALA 186 186 31233 1 . ALA 187 187 31233 1 . LEU 188 188 31233 1 . TYR 189 189 31233 1 . GLY 190 190 31233 1 . ARG 191 191 31233 1 . PHE 192 192 31233 1 . THR 193 193 31233 1 . ILE 194 194 31233 1 . LYS 195 195 31233 1 . SER 196 196 31233 1 . ASP 197 197 31233 1 . VAL 198 198 31233 1 . TRP 199 199 31233 1 . SER 200 200 31233 1 . PHE 201 201 31233 1 . GLY 202 202 31233 1 . ILE 203 203 31233 1 . LEU 204 204 31233 1 . LEU 205 205 31233 1 . THR 206 206 31233 1 . GLU 207 207 31233 1 . LEU 208 208 31233 1 . THR 209 209 31233 1 . THR 210 210 31233 1 . LYS 211 211 31233 1 . GLY 212 212 31233 1 . ARG 213 213 31233 1 . VAL 214 214 31233 1 . PRO 215 215 31233 1 . TYR 216 216 31233 1 . PRO 217 217 31233 1 . GLY 218 218 31233 1 . MET 219 219 31233 1 . VAL 220 220 31233 1 . ASN 221 221 31233 1 . ARG 222 222 31233 1 . GLU 223 223 31233 1 . VAL 224 224 31233 1 . LEU 225 225 31233 1 . ASP 226 226 31233 1 . GLN 227 227 31233 1 . VAL 228 228 31233 1 . GLU 229 229 31233 1 . ARG 230 230 31233 1 . GLY 231 231 31233 1 . TYR 232 232 31233 1 . ARG 233 233 31233 1 . MET 234 234 31233 1 . PRO 235 235 31233 1 . CYS 236 236 31233 1 . PRO 237 237 31233 1 . PRO 238 238 31233 1 . GLU 239 239 31233 1 . CYS 240 240 31233 1 . PRO 241 241 31233 1 . GLU 242 242 31233 1 . SER 243 243 31233 1 . LEU 244 244 31233 1 . HIS 245 245 31233 1 . ASP 246 246 31233 1 . LEU 247 247 31233 1 . MET 248 248 31233 1 . CYS 249 249 31233 1 . GLN 250 250 31233 1 . CYS 251 251 31233 1 . TRP 252 252 31233 1 . ARG 253 253 31233 1 . LYS 254 254 31233 1 . GLU 255 255 31233 1 . PRO 256 256 31233 1 . GLU 257 257 31233 1 . GLU 258 258 31233 1 . ARG 259 259 31233 1 . PRO 260 260 31233 1 . THR 261 261 31233 1 . PHE 262 262 31233 1 . GLU 263 263 31233 1 . TYR 264 264 31233 1 . LEU 265 265 31233 1 . GLN 266 266 31233 1 . ALA 267 267 31233 1 . PHE 268 268 31233 1 . LEU 269 269 31233 1 . GLU 270 270 31233 1 . ASP 271 271 31233 1 . TYR 272 272 31233 1 . PHE 273 273 31233 1 . THR 274 274 31233 1 . SER 275 275 31233 1 . THR 276 276 31233 1 . GLU 277 277 31233 1 . PRO 278 278 31233 1 . GLN 279 279 31233 1 . TYR 280 280 31233 1 . GLN 281 281 31233 1 . PRO 282 282 31233 1 . GLY 283 283 31233 1 . GLU 284 284 31233 1 . ASN 285 285 31233 1 . LEU 286 286 31233 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 31233 _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 . . . . . . . . . . . 'SRC, SRC1' . 31233 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 31233 _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 . . . . . . . . . . 31233 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 31233 _Chem_comp.ID PTR _Chem_comp.Provenance PDB _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PTR _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 17 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 31233 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 31233 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 31233 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 31233 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 31233 PTR c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 31233 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 31233 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 31233 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 31233 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 31233 PTR CA CA CA CA . C . . S 0 . . . 1 N N . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 31233 PTR C C C C . C . . N 0 . . . 1 N N . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 31233 PTR O O O O . O . . N 0 . . . 1 N N . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 31233 PTR OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 31233 PTR CB CB CB CB . C . . N 0 . . . 1 N N . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 31233 PTR CG CG CG CG . C . . N 0 . . . 1 Y N . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 31233 PTR CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 Y N . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 31233 PTR CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 Y N . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 31233 PTR CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 Y N . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 31233 PTR CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 Y N . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 31233 PTR CZ CZ CZ CZ . C . . N 0 . . . 1 Y N . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 31233 PTR OH OH OH OH . O . . N 0 . . . 1 N N . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 31233 PTR P P P P . P . . N 0 . . . 1 N N . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 31233 PTR O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 31233 PTR O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 31233 PTR O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 31233 PTR H H H 1HN . H . . N 0 . . . 1 N N . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 31233 PTR HN2 HN2 HN2 2HN . H . . N 0 . . . 1 N Y . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 31233 PTR HA HA HA HA . H . . N 0 . . . 1 N N . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 31233 PTR HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 31233 PTR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 31233 PTR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 31233 PTR HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 N N . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 31233 PTR HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 N N . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 31233 PTR HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 N N . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 31233 PTR HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 N N . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 31233 PTR HO2P HO2P HO2P PHO2 . H . . N 0 . . . 0 N N . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 31233 PTR HO3P HO3P HO3P PHO3 . H . . N 0 . . . 0 N N . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 31233 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 31233 PTR 2 . SING N H N N 2 . 31233 PTR 3 . SING N HN2 N N 3 . 31233 PTR 4 . SING CA C N N 4 . 31233 PTR 5 . SING CA CB N N 5 . 31233 PTR 6 . SING CA HA N N 6 . 31233 PTR 7 . DOUB C O N N 7 . 31233 PTR 8 . SING C OXT N N 8 . 31233 PTR 9 . SING OXT HXT N N 9 . 31233 PTR 10 . SING CB CG N N 10 . 31233 PTR 11 . SING CB HB2 N N 11 . 31233 PTR 12 . SING CB HB3 N N 12 . 31233 PTR 13 . DOUB CG CD1 Y N 13 . 31233 PTR 14 . SING CG CD2 Y N 14 . 31233 PTR 15 . SING CD1 CE1 Y N 15 . 31233 PTR 16 . SING CD1 HD1 N N 16 . 31233 PTR 17 . DOUB CD2 CE2 Y N 17 . 31233 PTR 18 . SING CD2 HD2 N N 18 . 31233 PTR 19 . DOUB CE1 CZ Y N 19 . 31233 PTR 20 . SING CE1 HE1 N N 20 . 31233 PTR 21 . SING CE2 CZ Y N 21 . 31233 PTR 22 . SING CE2 HE2 N N 22 . 31233 PTR 23 . SING CZ OH N N 23 . 31233 PTR 24 . SING OH P N N 24 . 31233 PTR 25 . DOUB P O1P N N 25 . 31233 PTR 26 . SING P O2P N N 26 . 31233 PTR 27 . SING P O3P N N 27 . 31233 PTR 28 . SING O2P HO2P N N 28 . 31233 PTR 29 . SING O3P HO3P N N 29 . 31233 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31233 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 250 uM [U-15N; U-2H] ILVMAT CH3 FY CEHE Proto-oncogene tyrosine-protein kinase Src, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 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 'Proto-oncogene tyrosine-protein kinase Src' '[U-15N; U-2H] ILVMAT CH3 FY CEHE' . . 1 $entity_1 . . 250 . . uM . . . . 31233 1 2 'potassium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31233 1 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 31233 1 4 BME 'natural abundance' . . . . . . 3 . . mM . . . . 31233 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 31233 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31233 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 250 uM [U-13C; U-15N; U-2H] Proto-oncogene tyrosine-protein kinase Src, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 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 'Proto-oncogene tyrosine-protein kinase Src' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 250 . . uM . . . . 31233 2 2 'potassium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 31233 2 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 31233 2 4 BME 'natural abundance' . . . . . . 3 . . mM . . . . 31233 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 31233 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 31233 _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' 500 . mM 31233 1 pH 6.5 . pH 31233 1 pressure 1 . atm 31233 1 temperature 298 . K 31233 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31233 _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' . . 31233 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31233 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31233 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31233 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31233 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31233 _Software.ID 3 _Software.Type . _Software.Name I-PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Bahrami, Dashti, Eghbalnia, Tonelli, Westler and Markley' . . 31233 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31233 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31233 _Software.ID 4 _Software.Type . _Software.Name Poky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Manthey, Tonelli, Clos II, Rahimi, Markley and Lee' . . 31233 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31233 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31233 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31233 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31233 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31233 _Software.ID 6 _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' . . 31233 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31233 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 31233 _Software.ID 7 _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' . . 31233 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 31233 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 31233 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31233 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31233 _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 NEO' . 800 . . . 31233 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 700 . . . 31233 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 31233 _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' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31233 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31233 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31233 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31233 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31233 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31233 1 7 '3D CCH_Noesy' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31233 1 8 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31233 1 9 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31233 1 10 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31233 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31233 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31233 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 31233 _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 . . . . . 31233 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31233 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31233 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 31233 _Chem_shift_reference.ID 2 _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 . . . . . 31233 2 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31233 2 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31233 2 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 31233 _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' . . . 31233 1 2 '2D 1H-13C HSQC aromatic' . . . 31233 1 3 '2D 1H-15N HSQC' . . . 31233 1 4 '3D 1H-15N NOESY' . . . 31233 1 5 '3D 1H-13C NOESY' . . . 31233 1 6 '3D 1H-13C NOESY aromatic' . . . 31233 1 7 '3D CCH_Noesy' . . . 31233 1 8 '3D HNCA' . . . 31233 1 9 '3D HNCACB' . . . 31233 1 10 '3D HNCO' . . . 31233 1 11 '2D 1H-15N HSQC' . . . 31233 1 12 '3D 1H-15N NOESY' . . . 31233 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 2 2 LYS H H 1 8.369 0.00 . 1 . . . . A 252 LYS H . 31233 1 2 . 1 . 1 2 2 LYS N N 15 124.138 0.00 . 1 . . . . A 252 LYS N . 31233 1 3 . 1 . 1 4 4 GLN H H 1 8.609 0.00 . 1 . . . . A 254 GLN H . 31233 1 4 . 1 . 1 4 4 GLN N N 15 120.826 0.00 . 1 . . . . A 254 GLN N . 31233 1 5 . 1 . 1 5 5 THR H H 1 8.214 0.00 . 1 . . . . A 255 THR H . 31233 1 6 . 1 . 1 5 5 THR HG21 H 1 1.220 0.00 . 1 . . . . A 255 THR HG21 . 31233 1 7 . 1 . 1 5 5 THR HG22 H 1 1.220 0.00 . 1 . . . . A 255 THR HG22 . 31233 1 8 . 1 . 1 5 5 THR HG23 H 1 1.220 0.00 . 1 . . . . A 255 THR HG23 . 31233 1 9 . 1 . 1 5 5 THR CG2 C 13 21.620 0.00 . 1 . . . . A 255 THR CG2 . 31233 1 10 . 1 . 1 6 6 GLN H H 1 8.481 0.00 . 1 . . . . A 256 GLN H . 31233 1 11 . 1 . 1 6 6 GLN N N 15 122.658 0.00 . 1 . . . . A 256 GLN N . 31233 1 12 . 1 . 1 7 7 GLY H H 1 8.457 0.00 . 1 . . . . A 257 GLY H . 31233 1 13 . 1 . 1 8 8 LEU H H 1 8.139 0.00 . 1 . . . . A 258 LEU H . 31233 1 14 . 1 . 1 8 8 LEU HD11 H 1 0.879 0.00 . 1 . . . . A 258 LEU HD11 . 31233 1 15 . 1 . 1 8 8 LEU HD12 H 1 0.879 0.00 . 1 . . . . A 258 LEU HD12 . 31233 1 16 . 1 . 1 8 8 LEU HD13 H 1 0.879 0.00 . 1 . . . . A 258 LEU HD13 . 31233 1 17 . 1 . 1 8 8 LEU HD21 H 1 0.912 0.01 . 1 . . . . A 258 LEU HD21 . 31233 1 18 . 1 . 1 8 8 LEU HD22 H 1 0.912 0.01 . 1 . . . . A 258 LEU HD22 . 31233 1 19 . 1 . 1 8 8 LEU HD23 H 1 0.912 0.01 . 1 . . . . A 258 LEU HD23 . 31233 1 20 . 1 . 1 8 8 LEU CD1 C 13 23.425 0.00 . 1 . . . . A 258 LEU CD1 . 31233 1 21 . 1 . 1 8 8 LEU CD2 C 13 24.999 0.00 . 1 . . . . A 258 LEU CD2 . 31233 1 22 . 1 . 1 8 8 LEU N N 15 121.726 0.00 . 1 . . . . A 258 LEU N . 31233 1 23 . 1 . 1 9 9 ALA H H 1 8.323 0.00 . 1 . . . . A 259 ALA H . 31233 1 24 . 1 . 1 9 9 ALA HB1 H 1 1.413 0.01 . 1 . . . . A 259 ALA HB1 . 31233 1 25 . 1 . 1 9 9 ALA HB2 H 1 1.413 0.01 . 1 . . . . A 259 ALA HB2 . 31233 1 26 . 1 . 1 9 9 ALA HB3 H 1 1.413 0.01 . 1 . . . . A 259 ALA HB3 . 31233 1 27 . 1 . 1 9 9 ALA CB C 13 19.232 0.00 . 1 . . . . A 259 ALA CB . 31233 1 28 . 1 . 1 9 9 ALA N N 15 124.993 0.01 . 1 . . . . A 259 ALA N . 31233 1 29 . 1 . 1 10 10 LYS H H 1 8.292 0.00 . 1 . . . . A 260 LYS H . 31233 1 30 . 1 . 1 10 10 LYS N N 15 120.772 0.01 . 1 . . . . A 260 LYS N . 31233 1 31 . 1 . 1 11 11 ASP H H 1 8.445 0.00 . 1 . . . . A 261 ASP H . 31233 1 32 . 1 . 1 11 11 ASP N N 15 122.228 0.01 . 1 . . . . A 261 ASP N . 31233 1 33 . 1 . 1 12 12 ALA H H 1 8.338 0.00 . 1 . . . . A 262 ALA H . 31233 1 34 . 1 . 1 12 12 ALA HB1 H 1 1.262 0.00 . 1 . . . . A 262 ALA HB1 . 31233 1 35 . 1 . 1 12 12 ALA HB2 H 1 1.262 0.00 . 1 . . . . A 262 ALA HB2 . 31233 1 36 . 1 . 1 12 12 ALA HB3 H 1 1.262 0.00 . 1 . . . . A 262 ALA HB3 . 31233 1 37 . 1 . 1 12 12 ALA CB C 13 18.845 0.00 . 1 . . . . A 262 ALA CB . 31233 1 38 . 1 . 1 12 12 ALA N N 15 123.004 0.00 . 1 . . . . A 262 ALA N . 31233 1 39 . 1 . 1 13 13 TRP H H 1 8.500 0.00 . 1 . . . . A 263 TRP H . 31233 1 40 . 1 . 1 13 13 TRP HE1 H 1 10.313 0.01 . 1 . . . . A 263 TRP HE1 . 31233 1 41 . 1 . 1 13 13 TRP N N 15 117.901 0.01 . 1 . . . . A 263 TRP N . 31233 1 42 . 1 . 1 13 13 TRP NE1 N 15 129.071 0.00 . 1 . . . . A 263 TRP NE1 . 31233 1 43 . 1 . 1 14 14 GLU H H 1 7.596 0.00 . 1 . . . . A 264 GLU H . 31233 1 44 . 1 . 1 14 14 GLU N N 15 121.418 0.00 . 1 . . . . A 264 GLU N . 31233 1 45 . 1 . 1 15 15 ILE H H 1 8.173 0.00 . 1 . . . . A 265 ILE H . 31233 1 46 . 1 . 1 15 15 ILE HD11 H 1 0.343 0.00 . 1 . . . . A 265 ILE HD11 . 31233 1 47 . 1 . 1 15 15 ILE HD12 H 1 0.343 0.00 . 1 . . . . A 265 ILE HD12 . 31233 1 48 . 1 . 1 15 15 ILE HD13 H 1 0.343 0.00 . 1 . . . . A 265 ILE HD13 . 31233 1 49 . 1 . 1 15 15 ILE CD1 C 13 13.471 0.00 . 1 . . . . A 265 ILE CD1 . 31233 1 50 . 1 . 1 15 15 ILE N N 15 120.262 0.01 . 1 . . . . A 265 ILE N . 31233 1 51 . 1 . 1 17 17 ARG H H 1 9.438 0.01 . 1 . . . . A 267 ARG H . 31233 1 52 . 1 . 1 17 17 ARG N N 15 129.144 0.00 . 1 . . . . A 267 ARG N . 31233 1 53 . 1 . 1 18 18 GLU H H 1 9.405 0.01 . 1 . . . . A 268 GLU H . 31233 1 54 . 1 . 1 18 18 GLU N N 15 114.835 0.00 . 1 . . . . A 268 GLU N . 31233 1 55 . 1 . 1 19 19 SER H H 1 7.927 0.00 . 1 . . . . A 269 SER H . 31233 1 56 . 1 . 1 19 19 SER N N 15 115.072 0.00 . 1 . . . . A 269 SER N . 31233 1 57 . 1 . 1 20 20 LEU H H 1 7.937 0.00 . 1 . . . . A 270 LEU H . 31233 1 58 . 1 . 1 20 20 LEU HD11 H 1 0.836 0.00 . 1 . . . . A 270 LEU HD11 . 31233 1 59 . 1 . 1 20 20 LEU HD12 H 1 0.836 0.00 . 1 . . . . A 270 LEU HD12 . 31233 1 60 . 1 . 1 20 20 LEU HD13 H 1 0.836 0.00 . 1 . . . . A 270 LEU HD13 . 31233 1 61 . 1 . 1 20 20 LEU HD21 H 1 0.660 0.00 . 1 . . . . A 270 LEU HD21 . 31233 1 62 . 1 . 1 20 20 LEU HD22 H 1 0.660 0.00 . 1 . . . . A 270 LEU HD22 . 31233 1 63 . 1 . 1 20 20 LEU HD23 H 1 0.660 0.00 . 1 . . . . A 270 LEU HD23 . 31233 1 64 . 1 . 1 20 20 LEU CD1 C 13 26.974 0.00 . 1 . . . . A 270 LEU CD1 . 31233 1 65 . 1 . 1 20 20 LEU CD2 C 13 23.140 0.00 . 1 . . . . A 270 LEU CD2 . 31233 1 66 . 1 . 1 20 20 LEU N N 15 123.367 0.00 . 1 . . . . A 270 LEU N . 31233 1 67 . 1 . 1 21 21 ARG H H 1 8.587 0.00 . 1 . . . . A 271 ARG H . 31233 1 68 . 1 . 1 21 21 ARG N N 15 121.099 0.00 . 1 . . . . A 271 ARG N . 31233 1 69 . 1 . 1 22 22 LEU H H 1 8.794 0.00 . 1 . . . . A 272 LEU H . 31233 1 70 . 1 . 1 22 22 LEU HD11 H 1 0.300 0.00 . 1 . . . . A 272 LEU HD11 . 31233 1 71 . 1 . 1 22 22 LEU HD12 H 1 0.300 0.00 . 1 . . . . A 272 LEU HD12 . 31233 1 72 . 1 . 1 22 22 LEU HD13 H 1 0.300 0.00 . 1 . . . . A 272 LEU HD13 . 31233 1 73 . 1 . 1 22 22 LEU HD21 H 1 -0.291 0.00 . 1 . . . . A 272 LEU HD21 . 31233 1 74 . 1 . 1 22 22 LEU HD22 H 1 -0.291 0.00 . 1 . . . . A 272 LEU HD22 . 31233 1 75 . 1 . 1 22 22 LEU HD23 H 1 -0.291 0.00 . 1 . . . . A 272 LEU HD23 . 31233 1 76 . 1 . 1 22 22 LEU CD1 C 13 23.487 0.00 . 1 . . . . A 272 LEU CD1 . 31233 1 77 . 1 . 1 22 22 LEU CD2 C 13 23.513 0.00 . 1 . . . . A 272 LEU CD2 . 31233 1 78 . 1 . 1 22 22 LEU N N 15 129.108 0.00 . 1 . . . . A 272 LEU N . 31233 1 79 . 1 . 1 23 23 GLU H H 1 8.780 0.00 . 1 . . . . A 273 GLU H . 31233 1 80 . 1 . 1 23 23 GLU N N 15 122.402 0.00 . 1 . . . . A 273 GLU N . 31233 1 81 . 1 . 1 24 24 VAL H H 1 8.193 0.00 . 1 . . . . A 274 VAL H . 31233 1 82 . 1 . 1 24 24 VAL HG11 H 1 0.904 0.00 . 1 . . . . A 274 VAL HG11 . 31233 1 83 . 1 . 1 24 24 VAL HG12 H 1 0.904 0.00 . 1 . . . . A 274 VAL HG12 . 31233 1 84 . 1 . 1 24 24 VAL HG13 H 1 0.904 0.00 . 1 . . . . A 274 VAL HG13 . 31233 1 85 . 1 . 1 24 24 VAL HG21 H 1 0.990 0.00 . 1 . . . . A 274 VAL HG21 . 31233 1 86 . 1 . 1 24 24 VAL HG22 H 1 0.990 0.00 . 1 . . . . A 274 VAL HG22 . 31233 1 87 . 1 . 1 24 24 VAL HG23 H 1 0.990 0.00 . 1 . . . . A 274 VAL HG23 . 31233 1 88 . 1 . 1 24 24 VAL CG1 C 13 20.877 0.01 . 1 . . . . A 274 VAL CG1 . 31233 1 89 . 1 . 1 24 24 VAL CG2 C 13 21.235 0.00 . 1 . . . . A 274 VAL CG2 . 31233 1 90 . 1 . 1 24 24 VAL N N 15 117.702 0.01 . 1 . . . . A 274 VAL N . 31233 1 91 . 1 . 1 25 25 LYS H H 1 8.573 0.00 . 1 . . . . A 275 LYS H . 31233 1 92 . 1 . 1 25 25 LYS N N 15 131.489 0.00 . 1 . . . . A 275 LYS N . 31233 1 93 . 1 . 1 26 26 LEU H H 1 9.308 0.00 . 1 . . . . A 276 LEU H . 31233 1 94 . 1 . 1 26 26 LEU HD11 H 1 1.021 0.00 . 1 . . . . A 276 LEU HD11 . 31233 1 95 . 1 . 1 26 26 LEU HD12 H 1 1.021 0.00 . 1 . . . . A 276 LEU HD12 . 31233 1 96 . 1 . 1 26 26 LEU HD13 H 1 1.021 0.00 . 1 . . . . A 276 LEU HD13 . 31233 1 97 . 1 . 1 26 26 LEU HD21 H 1 0.925 0.00 . 1 . . . . A 276 LEU HD21 . 31233 1 98 . 1 . 1 26 26 LEU HD22 H 1 0.925 0.00 . 1 . . . . A 276 LEU HD22 . 31233 1 99 . 1 . 1 26 26 LEU HD23 H 1 0.925 0.00 . 1 . . . . A 276 LEU HD23 . 31233 1 100 . 1 . 1 26 26 LEU CD1 C 13 25.560 0.01 . 1 . . . . A 276 LEU CD1 . 31233 1 101 . 1 . 1 26 26 LEU CD2 C 13 22.070 0.00 . 1 . . . . A 276 LEU CD2 . 31233 1 102 . 1 . 1 26 26 LEU N N 15 129.268 0.00 . 1 . . . . A 276 LEU N . 31233 1 103 . 1 . 1 27 27 GLY H H 1 7.758 0.00 . 1 . . . . A 277 GLY H . 31233 1 104 . 1 . 1 27 27 GLY N N 15 105.395 0.00 . 1 . . . . A 277 GLY N . 31233 1 105 . 1 . 1 28 28 GLN H H 1 8.411 0.00 . 1 . . . . A 278 GLN H . 31233 1 106 . 1 . 1 28 28 GLN N N 15 116.782 0.00 . 1 . . . . A 278 GLN N . 31233 1 107 . 1 . 1 29 29 GLY H H 1 8.412 0.00 . 1 . . . . A 279 GLY H . 31233 1 108 . 1 . 1 31 31 PHE H H 1 8.157 0.00 . 1 . . . . A 281 PHE H . 31233 1 109 . 1 . 1 31 31 PHE HE1 H 1 7.414 0.00 . 1 . . . . A 281 PHE HE1 . 31233 1 110 . 1 . 1 31 31 PHE HE2 H 1 7.416 0.00 . 1 . . . . A 281 PHE HE2 . 31233 1 111 . 1 . 1 31 31 PHE CE1 C 13 131.855 0.01 . 1 . . . . A 281 PHE CE1 . 31233 1 112 . 1 . 1 31 31 PHE CE2 C 13 131.863 0.00 . 1 . . . . A 281 PHE CE2 . 31233 1 113 . 1 . 1 31 31 PHE N N 15 114.964 0.00 . 1 . . . . A 281 PHE N . 31233 1 114 . 1 . 1 32 32 GLY H H 1 7.073 0.01 . 1 . . . . A 282 GLY H . 31233 1 115 . 1 . 1 32 32 GLY N N 15 106.039 0.00 . 1 . . . . A 282 GLY N . 31233 1 116 . 1 . 1 33 33 GLU H H 1 8.360 0.00 . 1 . . . . A 283 GLU H . 31233 1 117 . 1 . 1 33 33 GLU N N 15 118.561 0.00 . 1 . . . . A 283 GLU N . 31233 1 118 . 1 . 1 34 34 VAL H H 1 8.295 0.00 . 1 . . . . A 284 VAL H . 31233 1 119 . 1 . 1 34 34 VAL HG11 H 1 1.011 0.00 . 1 . . . . A 284 VAL HG11 . 31233 1 120 . 1 . 1 34 34 VAL HG12 H 1 1.011 0.00 . 1 . . . . A 284 VAL HG12 . 31233 1 121 . 1 . 1 34 34 VAL HG13 H 1 1.011 0.00 . 1 . . . . A 284 VAL HG13 . 31233 1 122 . 1 . 1 34 34 VAL HG21 H 1 1.009 0.00 . 1 . . . . A 284 VAL HG21 . 31233 1 123 . 1 . 1 34 34 VAL HG22 H 1 1.009 0.00 . 1 . . . . A 284 VAL HG22 . 31233 1 124 . 1 . 1 34 34 VAL HG23 H 1 1.009 0.00 . 1 . . . . A 284 VAL HG23 . 31233 1 125 . 1 . 1 34 34 VAL CG1 C 13 21.219 0.00 . 1 . . . . A 284 VAL CG1 . 31233 1 126 . 1 . 1 34 34 VAL CG2 C 13 21.222 0.00 . 1 . . . . A 284 VAL CG2 . 31233 1 127 . 1 . 1 34 34 VAL N N 15 119.775 0.00 . 1 . . . . A 284 VAL N . 31233 1 128 . 1 . 1 35 35 TRP H H 1 9.874 0.01 . 1 . . . . A 285 TRP H . 31233 1 129 . 1 . 1 35 35 TRP HE1 H 1 10.898 0.00 . 1 . . . . A 285 TRP HE1 . 31233 1 130 . 1 . 1 35 35 TRP N N 15 127.185 0.00 . 1 . . . . A 285 TRP N . 31233 1 131 . 1 . 1 35 35 TRP NE1 N 15 131.887 0.00 . 1 . . . . A 285 TRP NE1 . 31233 1 132 . 1 . 1 36 36 MET H H 1 9.835 0.00 . 1 . . . . A 286 MET H . 31233 1 133 . 1 . 1 36 36 MET HE1 H 1 1.947 0.00 . 1 . . . . A 286 MET HE1 . 31233 1 134 . 1 . 1 36 36 MET HE2 H 1 1.947 0.00 . 1 . . . . A 286 MET HE2 . 31233 1 135 . 1 . 1 36 36 MET HE3 H 1 1.947 0.00 . 1 . . . . A 286 MET HE3 . 31233 1 136 . 1 . 1 36 36 MET CE C 13 17.365 0.00 . 1 . . . . A 286 MET CE . 31233 1 137 . 1 . 1 36 36 MET N N 15 120.931 0.00 . 1 . . . . A 286 MET N . 31233 1 138 . 1 . 1 37 37 GLY H H 1 9.061 0.00 . 1 . . . . A 287 GLY H . 31233 1 139 . 1 . 1 37 37 GLY N N 15 115.128 0.00 . 1 . . . . A 287 GLY N . 31233 1 140 . 1 . 1 38 38 THR H H 1 8.702 0.01 . 1 . . . . A 288 THR H . 31233 1 141 . 1 . 1 38 38 THR HG21 H 1 0.996 0.00 . 1 . . . . A 288 THR HG21 . 31233 1 142 . 1 . 1 38 38 THR HG22 H 1 0.996 0.00 . 1 . . . . A 288 THR HG22 . 31233 1 143 . 1 . 1 38 38 THR HG23 H 1 0.996 0.00 . 1 . . . . A 288 THR HG23 . 31233 1 144 . 1 . 1 38 38 THR CG2 C 13 22.038 0.00 . 1 . . . . A 288 THR CG2 . 31233 1 145 . 1 . 1 38 38 THR N N 15 114.611 0.00 . 1 . . . . A 288 THR N . 31233 1 146 . 1 . 1 39 39 TRP H H 1 9.788 0.00 . 1 . . . . A 289 TRP H . 31233 1 147 . 1 . 1 39 39 TRP HE1 H 1 9.742 0.01 . 1 . . . . A 289 TRP HE1 . 31233 1 148 . 1 . 1 39 39 TRP N N 15 128.937 0.01 . 1 . . . . A 289 TRP N . 31233 1 149 . 1 . 1 39 39 TRP NE1 N 15 130.001 0.01 . 1 . . . . A 289 TRP NE1 . 31233 1 150 . 1 . 1 40 40 ASN H H 1 9.653 0.00 . 1 . . . . A 290 ASN H . 31233 1 151 . 1 . 1 40 40 ASN N N 15 124.597 0.01 . 1 . . . . A 290 ASN N . 31233 1 152 . 1 . 1 41 41 GLY H H 1 9.025 0.01 . 1 . . . . A 291 GLY H . 31233 1 153 . 1 . 1 41 41 GLY N N 15 105.921 0.00 . 1 . . . . A 291 GLY N . 31233 1 154 . 1 . 1 42 42 THR H H 1 7.595 0.00 . 1 . . . . A 292 THR H . 31233 1 155 . 1 . 1 42 42 THR HG21 H 1 1.150 0.00 . 1 . . . . A 292 THR HG21 . 31233 1 156 . 1 . 1 42 42 THR HG22 H 1 1.150 0.00 . 1 . . . . A 292 THR HG22 . 31233 1 157 . 1 . 1 42 42 THR HG23 H 1 1.150 0.00 . 1 . . . . A 292 THR HG23 . 31233 1 158 . 1 . 1 42 42 THR CG2 C 13 20.990 0.00 . 1 . . . . A 292 THR CG2 . 31233 1 159 . 1 . 1 42 42 THR N N 15 109.129 0.00 . 1 . . . . A 292 THR N . 31233 1 160 . 1 . 1 43 43 THR H H 1 7.959 0.00 . 1 . . . . A 293 THR H . 31233 1 161 . 1 . 1 43 43 THR HG21 H 1 1.361 0.00 . 1 . . . . A 293 THR HG21 . 31233 1 162 . 1 . 1 43 43 THR HG22 H 1 1.361 0.00 . 1 . . . . A 293 THR HG22 . 31233 1 163 . 1 . 1 43 43 THR HG23 H 1 1.361 0.00 . 1 . . . . A 293 THR HG23 . 31233 1 164 . 1 . 1 43 43 THR CG2 C 13 21.299 0.00 . 1 . . . . A 293 THR CG2 . 31233 1 165 . 1 . 1 43 43 THR N N 15 120.195 0.00 . 1 . . . . A 293 THR N . 31233 1 166 . 1 . 1 44 44 ARG H H 1 9.273 0.00 . 1 . . . . A 294 ARG H . 31233 1 167 . 1 . 1 44 44 ARG N N 15 131.270 0.00 . 1 . . . . A 294 ARG N . 31233 1 168 . 1 . 1 45 45 VAL H H 1 8.609 0.00 . 1 . . . . A 295 VAL H . 31233 1 169 . 1 . 1 45 45 VAL HG11 H 1 1.079 0.00 . 1 . . . . A 295 VAL HG11 . 31233 1 170 . 1 . 1 45 45 VAL HG12 H 1 1.079 0.00 . 1 . . . . A 295 VAL HG12 . 31233 1 171 . 1 . 1 45 45 VAL HG13 H 1 1.079 0.00 . 1 . . . . A 295 VAL HG13 . 31233 1 172 . 1 . 1 45 45 VAL HG21 H 1 0.490 0.00 . 1 . . . . A 295 VAL HG21 . 31233 1 173 . 1 . 1 45 45 VAL HG22 H 1 0.490 0.00 . 1 . . . . A 295 VAL HG22 . 31233 1 174 . 1 . 1 45 45 VAL HG23 H 1 0.490 0.00 . 1 . . . . A 295 VAL HG23 . 31233 1 175 . 1 . 1 45 45 VAL CG1 C 13 24.013 0.00 . 1 . . . . A 295 VAL CG1 . 31233 1 176 . 1 . 1 45 45 VAL CG2 C 13 18.153 0.00 . 1 . . . . A 295 VAL CG2 . 31233 1 177 . 1 . 1 45 45 VAL N N 15 116.418 0.00 . 1 . . . . A 295 VAL N . 31233 1 178 . 1 . 1 46 46 ALA H H 1 8.749 0.01 . 1 . . . . A 296 ALA H . 31233 1 179 . 1 . 1 46 46 ALA HB1 H 1 1.389 0.00 . 1 . . . . A 296 ALA HB1 . 31233 1 180 . 1 . 1 46 46 ALA HB2 H 1 1.389 0.00 . 1 . . . . A 296 ALA HB2 . 31233 1 181 . 1 . 1 46 46 ALA HB3 H 1 1.389 0.00 . 1 . . . . A 296 ALA HB3 . 31233 1 182 . 1 . 1 46 46 ALA CB C 13 20.899 0.00 . 1 . . . . A 296 ALA CB . 31233 1 183 . 1 . 1 46 46 ALA N N 15 122.707 0.00 . 1 . . . . A 296 ALA N . 31233 1 184 . 1 . 1 47 47 ILE H H 1 9.519 0.00 . 1 . . . . A 297 ILE H . 31233 1 185 . 1 . 1 47 47 ILE HD11 H 1 0.595 0.00 . 1 . . . . A 297 ILE HD11 . 31233 1 186 . 1 . 1 47 47 ILE HD12 H 1 0.595 0.00 . 1 . . . . A 297 ILE HD12 . 31233 1 187 . 1 . 1 47 47 ILE HD13 H 1 0.595 0.00 . 1 . . . . A 297 ILE HD13 . 31233 1 188 . 1 . 1 47 47 ILE CD1 C 13 16.100 0.00 . 1 . . . . A 297 ILE CD1 . 31233 1 189 . 1 . 1 47 47 ILE N N 15 121.219 0.00 . 1 . . . . A 297 ILE N . 31233 1 190 . 1 . 1 48 48 LYS H H 1 9.366 0.00 . 1 . . . . A 298 LYS H . 31233 1 191 . 1 . 1 48 48 LYS N N 15 128.407 0.00 . 1 . . . . A 298 LYS N . 31233 1 192 . 1 . 1 49 49 THR H H 1 9.279 0.00 . 1 . . . . A 299 THR H . 31233 1 193 . 1 . 1 49 49 THR HG21 H 1 0.982 0.00 . 1 . . . . A 299 THR HG21 . 31233 1 194 . 1 . 1 49 49 THR HG22 H 1 0.982 0.00 . 1 . . . . A 299 THR HG22 . 31233 1 195 . 1 . 1 49 49 THR HG23 H 1 0.982 0.00 . 1 . . . . A 299 THR HG23 . 31233 1 196 . 1 . 1 49 49 THR CG2 C 13 22.262 0.02 . 1 . . . . A 299 THR CG2 . 31233 1 197 . 1 . 1 50 50 LEU H H 1 8.569 0.00 . 1 . . . . A 300 LEU H . 31233 1 198 . 1 . 1 50 50 LEU HD11 H 1 0.811 0.00 . 1 . . . . A 300 LEU HD11 . 31233 1 199 . 1 . 1 50 50 LEU HD12 H 1 0.811 0.00 . 1 . . . . A 300 LEU HD12 . 31233 1 200 . 1 . 1 50 50 LEU HD13 H 1 0.811 0.00 . 1 . . . . A 300 LEU HD13 . 31233 1 201 . 1 . 1 50 50 LEU HD21 H 1 0.638 0.01 . 1 . . . . A 300 LEU HD21 . 31233 1 202 . 1 . 1 50 50 LEU HD22 H 1 0.638 0.01 . 1 . . . . A 300 LEU HD22 . 31233 1 203 . 1 . 1 50 50 LEU HD23 H 1 0.638 0.01 . 1 . . . . A 300 LEU HD23 . 31233 1 204 . 1 . 1 50 50 LEU CD1 C 13 22.898 0.01 . 1 . . . . A 300 LEU CD1 . 31233 1 205 . 1 . 1 50 50 LEU CD2 C 13 25.305 0.01 . 1 . . . . A 300 LEU CD2 . 31233 1 206 . 1 . 1 50 50 LEU N N 15 119.605 0.00 . 1 . . . . A 300 LEU N . 31233 1 207 . 1 . 1 51 51 LYS H H 1 9.277 0.01 . 1 . . . . A 301 LYS H . 31233 1 208 . 1 . 1 51 51 LYS N N 15 132.959 0.00 . 1 . . . . A 301 LYS N . 31233 1 209 . 1 . 1 53 53 GLY H H 1 9.081 0.01 . 1 . . . . A 303 GLY H . 31233 1 210 . 1 . 1 53 53 GLY N N 15 111.604 0.00 . 1 . . . . A 303 GLY N . 31233 1 211 . 1 . 1 54 54 THR H H 1 8.083 0.00 . 1 . . . . A 304 THR H . 31233 1 212 . 1 . 1 54 54 THR HG21 H 1 1.282 0.00 . 1 . . . . A 304 THR HG21 . 31233 1 213 . 1 . 1 54 54 THR HG22 H 1 1.282 0.00 . 1 . . . . A 304 THR HG22 . 31233 1 214 . 1 . 1 54 54 THR HG23 H 1 1.282 0.00 . 1 . . . . A 304 THR HG23 . 31233 1 215 . 1 . 1 54 54 THR CG2 C 13 21.914 0.00 . 1 . . . . A 304 THR CG2 . 31233 1 216 . 1 . 1 54 54 THR N N 15 121.273 0.00 . 1 . . . . A 304 THR N . 31233 1 217 . 1 . 1 55 55 MET H H 1 7.912 0.01 . 1 . . . . A 305 MET H . 31233 1 218 . 1 . 1 55 55 MET HE1 H 1 1.747 0.00 . 1 . . . . A 305 MET HE1 . 31233 1 219 . 1 . 1 55 55 MET HE2 H 1 1.747 0.00 . 1 . . . . A 305 MET HE2 . 31233 1 220 . 1 . 1 55 55 MET HE3 H 1 1.747 0.00 . 1 . . . . A 305 MET HE3 . 31233 1 221 . 1 . 1 55 55 MET CE C 13 16.339 0.01 . 1 . . . . A 305 MET CE . 31233 1 222 . 1 . 1 56 56 SER H H 1 8.814 0.00 . 1 . . . . A 306 SER H . 31233 1 223 . 1 . 1 56 56 SER N N 15 119.377 0.00 . 1 . . . . A 306 SER N . 31233 1 224 . 1 . 1 58 58 GLU H H 1 8.620 0.00 . 1 . . . . A 308 GLU H . 31233 1 225 . 1 . 1 58 58 GLU N N 15 115.026 0.00 . 1 . . . . A 308 GLU N . 31233 1 226 . 1 . 1 59 59 ALA H H 1 7.826 0.00 . 1 . . . . A 309 ALA H . 31233 1 227 . 1 . 1 59 59 ALA HB1 H 1 1.517 0.00 . 1 . . . . A 309 ALA HB1 . 31233 1 228 . 1 . 1 59 59 ALA HB2 H 1 1.517 0.00 . 1 . . . . A 309 ALA HB2 . 31233 1 229 . 1 . 1 59 59 ALA HB3 H 1 1.517 0.00 . 1 . . . . A 309 ALA HB3 . 31233 1 230 . 1 . 1 59 59 ALA CB C 13 18.455 0.00 . 1 . . . . A 309 ALA CB . 31233 1 231 . 1 . 1 59 59 ALA N N 15 122.546 0.00 . 1 . . . . A 309 ALA N . 31233 1 232 . 1 . 1 60 60 PHE H H 1 8.246 0.00 . 1 . . . . A 310 PHE H . 31233 1 233 . 1 . 1 60 60 PHE HE1 H 1 7.111 0.00 . 1 . . . . A 310 PHE HE1 . 31233 1 234 . 1 . 1 60 60 PHE HE2 H 1 7.107 0.00 . 1 . . . . A 310 PHE HE2 . 31233 1 235 . 1 . 1 60 60 PHE CE1 C 13 131.405 0.00 . 1 . . . . A 310 PHE CE1 . 31233 1 236 . 1 . 1 60 60 PHE CE2 C 13 131.404 0.01 . 1 . . . . A 310 PHE CE2 . 31233 1 237 . 1 . 1 60 60 PHE N N 15 121.016 0.00 . 1 . . . . A 310 PHE N . 31233 1 238 . 1 . 1 61 61 LEU H H 1 8.558 0.00 . 1 . . . . A 311 LEU H . 31233 1 239 . 1 . 1 61 61 LEU HD11 H 1 0.930 0.00 . 1 . . . . A 311 LEU HD11 . 31233 1 240 . 1 . 1 61 61 LEU HD12 H 1 0.930 0.00 . 1 . . . . A 311 LEU HD12 . 31233 1 241 . 1 . 1 61 61 LEU HD13 H 1 0.930 0.00 . 1 . . . . A 311 LEU HD13 . 31233 1 242 . 1 . 1 61 61 LEU HD21 H 1 0.808 0.00 . 1 . . . . A 311 LEU HD21 . 31233 1 243 . 1 . 1 61 61 LEU HD22 H 1 0.808 0.00 . 1 . . . . A 311 LEU HD22 . 31233 1 244 . 1 . 1 61 61 LEU HD23 H 1 0.808 0.00 . 1 . . . . A 311 LEU HD23 . 31233 1 245 . 1 . 1 61 61 LEU CD1 C 13 25.129 0.01 . 1 . . . . A 311 LEU CD1 . 31233 1 246 . 1 . 1 61 61 LEU CD2 C 13 22.682 0.00 . 1 . . . . A 311 LEU CD2 . 31233 1 247 . 1 . 1 61 61 LEU N N 15 114.826 0.00 . 1 . . . . A 311 LEU N . 31233 1 248 . 1 . 1 62 62 GLN H H 1 7.630 0.00 . 1 . . . . A 312 GLN H . 31233 1 249 . 1 . 1 62 62 GLN N N 15 122.693 0.00 . 1 . . . . A 312 GLN N . 31233 1 250 . 1 . 1 63 63 GLU H H 1 7.382 0.01 . 1 . . . . A 313 GLU H . 31233 1 251 . 1 . 1 63 63 GLU N N 15 116.230 0.00 . 1 . . . . A 313 GLU N . 31233 1 252 . 1 . 1 64 64 ALA H H 1 7.829 0.01 . 1 . . . . A 314 ALA H . 31233 1 253 . 1 . 1 64 64 ALA HB1 H 1 1.192 0.00 . 1 . . . . A 314 ALA HB1 . 31233 1 254 . 1 . 1 64 64 ALA HB2 H 1 1.192 0.00 . 1 . . . . A 314 ALA HB2 . 31233 1 255 . 1 . 1 64 64 ALA HB3 H 1 1.192 0.00 . 1 . . . . A 314 ALA HB3 . 31233 1 256 . 1 . 1 64 64 ALA CB C 13 17.973 0.00 . 1 . . . . A 314 ALA CB . 31233 1 257 . 1 . 1 64 64 ALA N N 15 119.039 0.00 . 1 . . . . A 314 ALA N . 31233 1 258 . 1 . 1 65 65 GLN H H 1 7.825 0.00 . 1 . . . . A 315 GLN H . 31233 1 259 . 1 . 1 65 65 GLN N N 15 114.904 0.00 . 1 . . . . A 315 GLN N . 31233 1 260 . 1 . 1 66 66 VAL H H 1 7.405 0.01 . 1 . . . . A 316 VAL H . 31233 1 261 . 1 . 1 66 66 VAL HG11 H 1 0.649 0.00 . 1 . . . . A 316 VAL HG11 . 31233 1 262 . 1 . 1 66 66 VAL HG12 H 1 0.649 0.00 . 1 . . . . A 316 VAL HG12 . 31233 1 263 . 1 . 1 66 66 VAL HG13 H 1 0.649 0.00 . 1 . . . . A 316 VAL HG13 . 31233 1 264 . 1 . 1 66 66 VAL HG21 H 1 1.092 0.00 . 1 . . . . A 316 VAL HG21 . 31233 1 265 . 1 . 1 66 66 VAL HG22 H 1 1.092 0.00 . 1 . . . . A 316 VAL HG22 . 31233 1 266 . 1 . 1 66 66 VAL HG23 H 1 1.092 0.00 . 1 . . . . A 316 VAL HG23 . 31233 1 267 . 1 . 1 66 66 VAL CG1 C 13 21.906 0.00 . 1 . . . . A 316 VAL CG1 . 31233 1 268 . 1 . 1 66 66 VAL CG2 C 13 22.699 0.00 . 1 . . . . A 316 VAL CG2 . 31233 1 269 . 1 . 1 66 66 VAL N N 15 116.910 0.00 . 1 . . . . A 316 VAL N . 31233 1 270 . 1 . 1 67 67 MET H H 1 7.612 0.01 . 1 . . . . A 317 MET H . 31233 1 271 . 1 . 1 67 67 MET HE1 H 1 1.907 0.00 . 1 . . . . A 317 MET HE1 . 31233 1 272 . 1 . 1 67 67 MET HE2 H 1 1.907 0.00 . 1 . . . . A 317 MET HE2 . 31233 1 273 . 1 . 1 67 67 MET HE3 H 1 1.907 0.00 . 1 . . . . A 317 MET HE3 . 31233 1 274 . 1 . 1 67 67 MET CE C 13 17.570 0.00 . 1 . . . . A 317 MET CE . 31233 1 275 . 1 . 1 68 68 LYS H H 1 8.191 0.00 . 1 . . . . A 318 LYS H . 31233 1 276 . 1 . 1 68 68 LYS N N 15 118.155 0.00 . 1 . . . . A 318 LYS N . 31233 1 277 . 1 . 1 69 69 LYS H H 1 7.150 0.00 . 1 . . . . A 319 LYS H . 31233 1 278 . 1 . 1 69 69 LYS N N 15 115.493 0.01 . 1 . . . . A 319 LYS N . 31233 1 279 . 1 . 1 70 70 LEU H H 1 7.423 0.01 . 1 . . . . A 320 LEU H . 31233 1 280 . 1 . 1 70 70 LEU HD11 H 1 0.026 0.00 . 1 . . . . A 320 LEU HD11 . 31233 1 281 . 1 . 1 70 70 LEU HD12 H 1 0.026 0.00 . 1 . . . . A 320 LEU HD12 . 31233 1 282 . 1 . 1 70 70 LEU HD13 H 1 0.026 0.00 . 1 . . . . A 320 LEU HD13 . 31233 1 283 . 1 . 1 70 70 LEU HD21 H 1 0.250 0.01 . 1 . . . . A 320 LEU HD21 . 31233 1 284 . 1 . 1 70 70 LEU HD22 H 1 0.250 0.01 . 1 . . . . A 320 LEU HD22 . 31233 1 285 . 1 . 1 70 70 LEU HD23 H 1 0.250 0.01 . 1 . . . . A 320 LEU HD23 . 31233 1 286 . 1 . 1 70 70 LEU CD1 C 13 25.391 0.00 . 1 . . . . A 320 LEU CD1 . 31233 1 287 . 1 . 1 70 70 LEU CD2 C 13 22.350 0.00 . 1 . . . . A 320 LEU CD2 . 31233 1 288 . 1 . 1 70 70 LEU N N 15 119.831 0.00 . 1 . . . . A 320 LEU N . 31233 1 289 . 1 . 1 71 71 ARG H H 1 8.147 0.00 . 1 . . . . A 321 ARG H . 31233 1 290 . 1 . 1 71 71 ARG N N 15 122.437 0.00 . 1 . . . . A 321 ARG N . 31233 1 291 . 1 . 1 72 72 HIS H H 1 8.565 0.00 . 1 . . . . A 322 HIS H . 31233 1 292 . 1 . 1 72 72 HIS N N 15 124.395 0.00 . 1 . . . . A 322 HIS N . 31233 1 293 . 1 . 1 73 73 GLU H H 1 7.782 0.00 . 1 . . . . A 323 GLU H . 31233 1 294 . 1 . 1 73 73 GLU N N 15 124.711 0.00 . 1 . . . . A 323 GLU N . 31233 1 295 . 1 . 1 74 74 LYS H H 1 10.516 0.00 . 1 . . . . A 324 LYS H . 31233 1 296 . 1 . 1 74 74 LYS N N 15 118.636 0.00 . 1 . . . . A 324 LYS N . 31233 1 297 . 1 . 1 75 75 LEU H H 1 7.960 0.00 . 1 . . . . A 325 LEU H . 31233 1 298 . 1 . 1 75 75 LEU HD11 H 1 0.837 0.00 . 1 . . . . A 325 LEU HD11 . 31233 1 299 . 1 . 1 75 75 LEU HD12 H 1 0.837 0.00 . 1 . . . . A 325 LEU HD12 . 31233 1 300 . 1 . 1 75 75 LEU HD13 H 1 0.837 0.00 . 1 . . . . A 325 LEU HD13 . 31233 1 301 . 1 . 1 75 75 LEU HD21 H 1 0.837 0.00 . 1 . . . . A 325 LEU HD21 . 31233 1 302 . 1 . 1 75 75 LEU HD22 H 1 0.837 0.00 . 1 . . . . A 325 LEU HD22 . 31233 1 303 . 1 . 1 75 75 LEU HD23 H 1 0.837 0.00 . 1 . . . . A 325 LEU HD23 . 31233 1 304 . 1 . 1 75 75 LEU CD1 C 13 24.606 0.00 . 1 . . . . A 325 LEU CD1 . 31233 1 305 . 1 . 1 75 75 LEU CD2 C 13 24.606 0.00 . 1 . . . . A 325 LEU CD2 . 31233 1 306 . 1 . 1 75 75 LEU N N 15 120.365 0.00 . 1 . . . . A 325 LEU N . 31233 1 307 . 1 . 1 76 76 VAL H H 1 8.497 0.00 . 1 . . . . A 326 VAL H . 31233 1 308 . 1 . 1 76 76 VAL HG11 H 1 0.982 0.00 . 1 . . . . A 326 VAL HG11 . 31233 1 309 . 1 . 1 76 76 VAL HG12 H 1 0.982 0.00 . 1 . . . . A 326 VAL HG12 . 31233 1 310 . 1 . 1 76 76 VAL HG13 H 1 0.982 0.00 . 1 . . . . A 326 VAL HG13 . 31233 1 311 . 1 . 1 76 76 VAL HG21 H 1 0.988 0.00 . 1 . . . . A 326 VAL HG21 . 31233 1 312 . 1 . 1 76 76 VAL HG22 H 1 0.988 0.00 . 1 . . . . A 326 VAL HG22 . 31233 1 313 . 1 . 1 76 76 VAL HG23 H 1 0.988 0.00 . 1 . . . . A 326 VAL HG23 . 31233 1 314 . 1 . 1 76 76 VAL CG1 C 13 21.652 0.00 . 1 . . . . A 326 VAL CG1 . 31233 1 315 . 1 . 1 76 76 VAL CG2 C 13 23.889 0.01 . 1 . . . . A 326 VAL CG2 . 31233 1 316 . 1 . 1 76 76 VAL N N 15 124.017 0.00 . 1 . . . . A 326 VAL N . 31233 1 317 . 1 . 1 77 77 GLN H H 1 9.192 0.00 . 1 . . . . A 327 GLN H . 31233 1 318 . 1 . 1 77 77 GLN N N 15 126.380 0.00 . 1 . . . . A 327 GLN N . 31233 1 319 . 1 . 1 78 78 LEU H H 1 8.559 0.00 . 1 . . . . A 328 LEU H . 31233 1 320 . 1 . 1 78 78 LEU HD11 H 1 0.798 0.01 . 1 . . . . A 328 LEU HD11 . 31233 1 321 . 1 . 1 78 78 LEU HD12 H 1 0.798 0.01 . 1 . . . . A 328 LEU HD12 . 31233 1 322 . 1 . 1 78 78 LEU HD13 H 1 0.798 0.01 . 1 . . . . A 328 LEU HD13 . 31233 1 323 . 1 . 1 78 78 LEU HD21 H 1 -0.129 0.00 . 1 . . . . A 328 LEU HD21 . 31233 1 324 . 1 . 1 78 78 LEU HD22 H 1 -0.129 0.00 . 1 . . . . A 328 LEU HD22 . 31233 1 325 . 1 . 1 78 78 LEU HD23 H 1 -0.129 0.00 . 1 . . . . A 328 LEU HD23 . 31233 1 326 . 1 . 1 78 78 LEU CD1 C 13 24.004 0.01 . 1 . . . . A 328 LEU CD1 . 31233 1 327 . 1 . 1 78 78 LEU CD2 C 13 26.925 0.00 . 1 . . . . A 328 LEU CD2 . 31233 1 328 . 1 . 1 78 78 LEU N N 15 124.961 0.00 . 1 . . . . A 328 LEU N . 31233 1 329 . 1 . 1 79 79 TYR H H 1 9.358 0.00 . 1 . . . . A 329 TYR H . 31233 1 330 . 1 . 1 79 79 TYR HE1 H 1 6.930 0.00 . 1 . . . . A 329 TYR HE1 . 31233 1 331 . 1 . 1 79 79 TYR HE2 H 1 6.930 0.00 . 1 . . . . A 329 TYR HE2 . 31233 1 332 . 1 . 1 79 79 TYR CE1 C 13 118.076 0.00 . 1 . . . . A 329 TYR CE1 . 31233 1 333 . 1 . 1 79 79 TYR CE2 C 13 118.079 0.01 . 1 . . . . A 329 TYR CE2 . 31233 1 334 . 1 . 1 79 79 TYR N N 15 123.706 0.00 . 1 . . . . A 329 TYR N . 31233 1 335 . 1 . 1 80 80 ALA H H 1 8.186 0.00 . 1 . . . . A 330 ALA H . 31233 1 336 . 1 . 1 80 80 ALA HB1 H 1 0.988 0.01 . 1 . . . . A 330 ALA HB1 . 31233 1 337 . 1 . 1 80 80 ALA HB2 H 1 0.988 0.01 . 1 . . . . A 330 ALA HB2 . 31233 1 338 . 1 . 1 80 80 ALA HB3 H 1 0.988 0.01 . 1 . . . . A 330 ALA HB3 . 31233 1 339 . 1 . 1 80 80 ALA CB C 13 22.292 0.00 . 1 . . . . A 330 ALA CB . 31233 1 340 . 1 . 1 81 81 VAL H H 1 8.326 0.00 . 1 . . . . A 331 VAL H . 31233 1 341 . 1 . 1 81 81 VAL HG11 H 1 0.850 0.00 . 1 . . . . A 331 VAL HG11 . 31233 1 342 . 1 . 1 81 81 VAL HG12 H 1 0.850 0.00 . 1 . . . . A 331 VAL HG12 . 31233 1 343 . 1 . 1 81 81 VAL HG13 H 1 0.850 0.00 . 1 . . . . A 331 VAL HG13 . 31233 1 344 . 1 . 1 81 81 VAL HG21 H 1 0.742 0.00 . 1 . . . . A 331 VAL HG21 . 31233 1 345 . 1 . 1 81 81 VAL HG22 H 1 0.742 0.00 . 1 . . . . A 331 VAL HG22 . 31233 1 346 . 1 . 1 81 81 VAL HG23 H 1 0.742 0.00 . 1 . . . . A 331 VAL HG23 . 31233 1 347 . 1 . 1 81 81 VAL CG1 C 13 22.275 0.00 . 1 . . . . A 331 VAL CG1 . 31233 1 348 . 1 . 1 81 81 VAL CG2 C 13 20.231 0.00 . 1 . . . . A 331 VAL CG2 . 31233 1 349 . 1 . 1 81 81 VAL N N 15 114.015 0.00 . 1 . . . . A 331 VAL N . 31233 1 350 . 1 . 1 82 82 VAL H H 1 8.574 0.01 . 1 . . . . A 332 VAL H . 31233 1 351 . 1 . 1 82 82 VAL HG11 H 1 0.989 0.00 . 1 . . . . A 332 VAL HG11 . 31233 1 352 . 1 . 1 82 82 VAL HG12 H 1 0.989 0.00 . 1 . . . . A 332 VAL HG12 . 31233 1 353 . 1 . 1 82 82 VAL HG13 H 1 0.989 0.00 . 1 . . . . A 332 VAL HG13 . 31233 1 354 . 1 . 1 82 82 VAL HG21 H 1 0.921 0.00 . 1 . . . . A 332 VAL HG21 . 31233 1 355 . 1 . 1 82 82 VAL HG22 H 1 0.921 0.00 . 1 . . . . A 332 VAL HG22 . 31233 1 356 . 1 . 1 82 82 VAL HG23 H 1 0.921 0.00 . 1 . . . . A 332 VAL HG23 . 31233 1 357 . 1 . 1 82 82 VAL CG1 C 13 21.234 0.00 . 1 . . . . A 332 VAL CG1 . 31233 1 358 . 1 . 1 82 82 VAL CG2 C 13 20.382 0.00 . 1 . . . . A 332 VAL CG2 . 31233 1 359 . 1 . 1 82 82 VAL N N 15 121.851 0.00 . 1 . . . . A 332 VAL N . 31233 1 360 . 1 . 1 83 83 SER H H 1 8.730 0.00 . 1 . . . . A 333 SER H . 31233 1 361 . 1 . 1 83 83 SER N N 15 120.803 0.00 . 1 . . . . A 333 SER N . 31233 1 362 . 1 . 1 84 84 GLU H H 1 6.798 0.00 . 1 . . . . A 334 GLU H . 31233 1 363 . 1 . 1 84 84 GLU N N 15 119.745 0.00 . 1 . . . . A 334 GLU N . 31233 1 364 . 1 . 1 85 85 GLU H H 1 8.600 0.00 . 1 . . . . A 335 GLU H . 31233 1 365 . 1 . 1 85 85 GLU N N 15 122.380 0.00 . 1 . . . . A 335 GLU N . 31233 1 366 . 1 . 1 87 87 ILE H H 1 8.561 0.01 . 1 . . . . A 337 ILE H . 31233 1 367 . 1 . 1 87 87 ILE HD11 H 1 0.835 0.00 . 1 . . . . A 337 ILE HD11 . 31233 1 368 . 1 . 1 87 87 ILE HD12 H 1 0.835 0.00 . 1 . . . . A 337 ILE HD12 . 31233 1 369 . 1 . 1 87 87 ILE HD13 H 1 0.835 0.00 . 1 . . . . A 337 ILE HD13 . 31233 1 370 . 1 . 1 87 87 ILE CD1 C 13 12.714 0.00 . 1 . . . . A 337 ILE CD1 . 31233 1 371 . 1 . 1 87 87 ILE N N 15 127.137 0.00 . 1 . . . . A 337 ILE N . 31233 1 372 . 1 . 1 88 88 TYR H H 1 7.098 0.01 . 1 . . . . A 338 TYR H . 31233 1 373 . 1 . 1 88 88 TYR HE1 H 1 6.552 0.00 . 1 . . . . A 338 TYR HE1 . 31233 1 374 . 1 . 1 88 88 TYR HE2 H 1 6.555 0.01 . 1 . . . . A 338 TYR HE2 . 31233 1 375 . 1 . 1 88 88 TYR CE1 C 13 117.189 0.02 . 1 . . . . A 338 TYR CE1 . 31233 1 376 . 1 . 1 88 88 TYR CE2 C 13 117.197 0.00 . 1 . . . . A 338 TYR CE2 . 31233 1 377 . 1 . 1 89 89 ILE H H 1 9.216 0.00 . 1 . . . . A 339 ILE H . 31233 1 378 . 1 . 1 89 89 ILE HD11 H 1 0.210 0.00 . 1 . . . . A 339 ILE HD11 . 31233 1 379 . 1 . 1 89 89 ILE HD12 H 1 0.210 0.00 . 1 . . . . A 339 ILE HD12 . 31233 1 380 . 1 . 1 89 89 ILE HD13 H 1 0.210 0.00 . 1 . . . . A 339 ILE HD13 . 31233 1 381 . 1 . 1 89 89 ILE CD1 C 13 13.658 0.00 . 1 . . . . A 339 ILE CD1 . 31233 1 382 . 1 . 1 89 89 ILE N N 15 119.872 0.00 . 1 . . . . A 339 ILE N . 31233 1 383 . 1 . 1 90 90 VAL H H 1 8.696 0.00 . 1 . . . . A 340 VAL H . 31233 1 384 . 1 . 1 90 90 VAL HG11 H 1 0.650 0.00 . 1 . . . . A 340 VAL HG11 . 31233 1 385 . 1 . 1 90 90 VAL HG12 H 1 0.650 0.00 . 1 . . . . A 340 VAL HG12 . 31233 1 386 . 1 . 1 90 90 VAL HG13 H 1 0.650 0.00 . 1 . . . . A 340 VAL HG13 . 31233 1 387 . 1 . 1 90 90 VAL HG21 H 1 0.675 0.00 . 1 . . . . A 340 VAL HG21 . 31233 1 388 . 1 . 1 90 90 VAL HG22 H 1 0.675 0.00 . 1 . . . . A 340 VAL HG22 . 31233 1 389 . 1 . 1 90 90 VAL HG23 H 1 0.675 0.00 . 1 . . . . A 340 VAL HG23 . 31233 1 390 . 1 . 1 90 90 VAL CG1 C 13 21.013 0.00 . 1 . . . . A 340 VAL CG1 . 31233 1 391 . 1 . 1 90 90 VAL CG2 C 13 20.858 0.00 . 1 . . . . A 340 VAL CG2 . 31233 1 392 . 1 . 1 90 90 VAL N N 15 128.449 0.00 . 1 . . . . A 340 VAL N . 31233 1 393 . 1 . 1 91 91 THR H H 1 9.652 0.00 . 1 . . . . A 341 THR H . 31233 1 394 . 1 . 1 91 91 THR HG21 H 1 0.923 0.00 . 1 . . . . A 341 THR HG21 . 31233 1 395 . 1 . 1 91 91 THR HG22 H 1 0.923 0.00 . 1 . . . . A 341 THR HG22 . 31233 1 396 . 1 . 1 91 91 THR HG23 H 1 0.923 0.00 . 1 . . . . A 341 THR HG23 . 31233 1 397 . 1 . 1 91 91 THR CG2 C 13 20.877 0.00 . 1 . . . . A 341 THR CG2 . 31233 1 398 . 1 . 1 91 91 THR N N 15 119.402 0.00 . 1 . . . . A 341 THR N . 31233 1 399 . 1 . 1 92 92 GLU H H 1 7.606 0.00 . 1 . . . . A 342 GLU H . 31233 1 400 . 1 . 1 92 92 GLU N N 15 118.050 0.02 . 1 . . . . A 342 GLU N . 31233 1 401 . 1 . 1 93 93 TYR H H 1 8.661 0.00 . 1 . . . . A 343 TYR H . 31233 1 402 . 1 . 1 93 93 TYR HE1 H 1 6.794 0.01 . 1 . . . . A 343 TYR HE1 . 31233 1 403 . 1 . 1 93 93 TYR HE2 H 1 6.790 0.00 . 1 . . . . A 343 TYR HE2 . 31233 1 404 . 1 . 1 93 93 TYR CE1 C 13 118.634 0.01 . 1 . . . . A 343 TYR CE1 . 31233 1 405 . 1 . 1 93 93 TYR CE2 C 13 118.631 0.00 . 1 . . . . A 343 TYR CE2 . 31233 1 406 . 1 . 1 93 93 TYR N N 15 124.744 0.00 . 1 . . . . A 343 TYR N . 31233 1 407 . 1 . 1 94 94 MET H H 1 8.162 0.01 . 1 . . . . A 344 MET H . 31233 1 408 . 1 . 1 94 94 MET HE1 H 1 1.590 0.00 . 1 . . . . A 344 MET HE1 . 31233 1 409 . 1 . 1 94 94 MET HE2 H 1 1.590 0.00 . 1 . . . . A 344 MET HE2 . 31233 1 410 . 1 . 1 94 94 MET HE3 H 1 1.590 0.00 . 1 . . . . A 344 MET HE3 . 31233 1 411 . 1 . 1 94 94 MET CE C 13 15.772 0.00 . 1 . . . . A 344 MET CE . 31233 1 412 . 1 . 1 94 94 MET N N 15 129.101 0.00 . 1 . . . . A 344 MET N . 31233 1 413 . 1 . 1 95 95 SER H H 1 8.461 0.00 . 1 . . . . A 345 SER H . 31233 1 414 . 1 . 1 95 95 SER N N 15 118.135 0.00 . 1 . . . . A 345 SER N . 31233 1 415 . 1 . 1 96 96 LYS H H 1 8.445 0.01 . 1 . . . . A 346 LYS H . 31233 1 416 . 1 . 1 96 96 LYS N N 15 119.818 0.01 . 1 . . . . A 346 LYS N . 31233 1 417 . 1 . 1 97 97 GLY H H 1 7.212 0.00 . 1 . . . . A 347 GLY H . 31233 1 418 . 1 . 1 97 97 GLY N N 15 105.811 0.00 . 1 . . . . A 347 GLY N . 31233 1 419 . 1 . 1 98 98 SER H H 1 8.805 0.01 . 1 . . . . A 348 SER H . 31233 1 420 . 1 . 1 98 98 SER N N 15 114.898 0.00 . 1 . . . . A 348 SER N . 31233 1 421 . 1 . 1 99 99 LEU H H 1 9.507 0.00 . 1 . . . . A 349 LEU H . 31233 1 422 . 1 . 1 99 99 LEU HD11 H 1 0.972 0.00 . 1 . . . . A 349 LEU HD11 . 31233 1 423 . 1 . 1 99 99 LEU HD12 H 1 0.972 0.00 . 1 . . . . A 349 LEU HD12 . 31233 1 424 . 1 . 1 99 99 LEU HD13 H 1 0.972 0.00 . 1 . . . . A 349 LEU HD13 . 31233 1 425 . 1 . 1 99 99 LEU HD21 H 1 0.838 0.00 . 1 . . . . A 349 LEU HD21 . 31233 1 426 . 1 . 1 99 99 LEU HD22 H 1 0.838 0.00 . 1 . . . . A 349 LEU HD22 . 31233 1 427 . 1 . 1 99 99 LEU HD23 H 1 0.838 0.00 . 1 . . . . A 349 LEU HD23 . 31233 1 428 . 1 . 1 99 99 LEU CD1 C 13 23.401 0.00 . 1 . . . . A 349 LEU CD1 . 31233 1 429 . 1 . 1 99 99 LEU CD2 C 13 25.659 0.00 . 1 . . . . A 349 LEU CD2 . 31233 1 430 . 1 . 1 99 99 LEU N N 15 125.883 0.00 . 1 . . . . A 349 LEU N . 31233 1 431 . 1 . 1 100 100 LEU H H 1 6.836 0.00 . 1 . . . . A 350 LEU H . 31233 1 432 . 1 . 1 100 100 LEU HD11 H 1 1.088 0.00 . 1 . . . . A 350 LEU HD11 . 31233 1 433 . 1 . 1 100 100 LEU HD12 H 1 1.088 0.00 . 1 . . . . A 350 LEU HD12 . 31233 1 434 . 1 . 1 100 100 LEU HD13 H 1 1.088 0.00 . 1 . . . . A 350 LEU HD13 . 31233 1 435 . 1 . 1 100 100 LEU HD21 H 1 1.056 0.01 . 1 . . . . A 350 LEU HD21 . 31233 1 436 . 1 . 1 100 100 LEU HD22 H 1 1.056 0.01 . 1 . . . . A 350 LEU HD22 . 31233 1 437 . 1 . 1 100 100 LEU HD23 H 1 1.056 0.01 . 1 . . . . A 350 LEU HD23 . 31233 1 438 . 1 . 1 100 100 LEU CD1 C 13 23.329 0.00 . 1 . . . . A 350 LEU CD1 . 31233 1 439 . 1 . 1 100 100 LEU CD2 C 13 25.664 0.00 . 1 . . . . A 350 LEU CD2 . 31233 1 440 . 1 . 1 100 100 LEU N N 15 116.799 0.00 . 1 . . . . A 350 LEU N . 31233 1 441 . 1 . 1 101 101 ASP H H 1 7.208 0.00 . 1 . . . . A 351 ASP H . 31233 1 442 . 1 . 1 101 101 ASP N N 15 115.546 0.01 . 1 . . . . A 351 ASP N . 31233 1 443 . 1 . 1 102 102 PHE H H 1 8.648 0.00 . 1 . . . . A 352 PHE H . 31233 1 444 . 1 . 1 102 102 PHE HE1 H 1 7.199 0.00 . 1 . . . . A 352 PHE HE1 . 31233 1 445 . 1 . 1 102 102 PHE HE2 H 1 7.200 0.00 . 1 . . . . A 352 PHE HE2 . 31233 1 446 . 1 . 1 102 102 PHE CE1 C 13 131.289 0.01 . 1 . . . . A 352 PHE CE1 . 31233 1 447 . 1 . 1 102 102 PHE CE2 C 13 131.289 0.01 . 1 . . . . A 352 PHE CE2 . 31233 1 448 . 1 . 1 102 102 PHE N N 15 122.920 0.00 . 1 . . . . A 352 PHE N . 31233 1 449 . 1 . 1 103 103 LEU H H 1 8.526 0.00 . 1 . . . . A 353 LEU H . 31233 1 450 . 1 . 1 103 103 LEU HD11 H 1 0.859 0.00 . 1 . . . . A 353 LEU HD11 . 31233 1 451 . 1 . 1 103 103 LEU HD12 H 1 0.859 0.00 . 1 . . . . A 353 LEU HD12 . 31233 1 452 . 1 . 1 103 103 LEU HD13 H 1 0.859 0.00 . 1 . . . . A 353 LEU HD13 . 31233 1 453 . 1 . 1 103 103 LEU HD21 H 1 0.784 0.01 . 1 . . . . A 353 LEU HD21 . 31233 1 454 . 1 . 1 103 103 LEU HD22 H 1 0.784 0.01 . 1 . . . . A 353 LEU HD22 . 31233 1 455 . 1 . 1 103 103 LEU HD23 H 1 0.784 0.01 . 1 . . . . A 353 LEU HD23 . 31233 1 456 . 1 . 1 103 103 LEU CD1 C 13 22.147 0.00 . 1 . . . . A 353 LEU CD1 . 31233 1 457 . 1 . 1 103 103 LEU CD2 C 13 26.041 0.13 . 1 . . . . A 353 LEU CD2 . 31233 1 458 . 1 . 1 103 103 LEU N N 15 117.159 0.00 . 1 . . . . A 353 LEU N . 31233 1 459 . 1 . 1 104 104 LYS H H 1 7.129 0.00 . 1 . . . . A 354 LYS H . 31233 1 460 . 1 . 1 104 104 LYS N N 15 112.610 0.00 . 1 . . . . A 354 LYS N . 31233 1 461 . 1 . 1 105 105 GLY H H 1 7.381 0.00 . 1 . . . . A 355 GLY H . 31233 1 462 . 1 . 1 105 105 GLY N N 15 106.431 0.00 . 1 . . . . A 355 GLY N . 31233 1 463 . 1 . 1 106 106 GLU H H 1 8.705 0.00 . 1 . . . . A 356 GLU H . 31233 1 464 . 1 . 1 106 106 GLU N N 15 119.145 0.00 . 1 . . . . A 356 GLU N . 31233 1 465 . 1 . 1 107 107 THR H H 1 7.851 0.01 . 1 . . . . A 357 THR H . 31233 1 466 . 1 . 1 107 107 THR HG21 H 1 1.246 0.00 . 1 . . . . A 357 THR HG21 . 31233 1 467 . 1 . 1 107 107 THR HG22 H 1 1.246 0.00 . 1 . . . . A 357 THR HG22 . 31233 1 468 . 1 . 1 107 107 THR HG23 H 1 1.246 0.00 . 1 . . . . A 357 THR HG23 . 31233 1 469 . 1 . 1 107 107 THR CG2 C 13 22.723 0.00 . 1 . . . . A 357 THR CG2 . 31233 1 470 . 1 . 1 108 108 GLY H H 1 7.446 0.00 . 1 . . . . A 358 GLY H . 31233 1 471 . 1 . 1 108 108 GLY N N 15 108.826 0.00 . 1 . . . . A 358 GLY N . 31233 1 472 . 1 . 1 109 109 LYS H H 1 7.455 0.00 . 1 . . . . A 359 LYS H . 31233 1 473 . 1 . 1 109 109 LYS N N 15 119.060 0.00 . 1 . . . . A 359 LYS N . 31233 1 474 . 1 . 1 110 110 TYR H H 1 7.398 0.00 . 1 . . . . A 360 TYR H . 31233 1 475 . 1 . 1 110 110 TYR HE1 H 1 6.899 0.00 . 1 . . . . A 360 TYR HE1 . 31233 1 476 . 1 . 1 110 110 TYR HE2 H 1 6.899 0.00 . 1 . . . . A 360 TYR HE2 . 31233 1 477 . 1 . 1 110 110 TYR CE1 C 13 118.712 0.00 . 1 . . . . A 360 TYR CE1 . 31233 1 478 . 1 . 1 110 110 TYR CE2 C 13 118.712 0.00 . 1 . . . . A 360 TYR CE2 . 31233 1 479 . 1 . 1 110 110 TYR N N 15 115.257 0.00 . 1 . . . . A 360 TYR N . 31233 1 480 . 1 . 1 111 111 LEU H H 1 7.188 0.00 . 1 . . . . A 361 LEU H . 31233 1 481 . 1 . 1 111 111 LEU HD11 H 1 0.952 0.01 . 1 . . . . A 361 LEU HD11 . 31233 1 482 . 1 . 1 111 111 LEU HD12 H 1 0.952 0.01 . 1 . . . . A 361 LEU HD12 . 31233 1 483 . 1 . 1 111 111 LEU HD13 H 1 0.952 0.01 . 1 . . . . A 361 LEU HD13 . 31233 1 484 . 1 . 1 111 111 LEU HD21 H 1 0.924 0.00 . 1 . . . . A 361 LEU HD21 . 31233 1 485 . 1 . 1 111 111 LEU HD22 H 1 0.924 0.00 . 1 . . . . A 361 LEU HD22 . 31233 1 486 . 1 . 1 111 111 LEU HD23 H 1 0.924 0.00 . 1 . . . . A 361 LEU HD23 . 31233 1 487 . 1 . 1 111 111 LEU CD1 C 13 26.824 0.00 . 1 . . . . A 361 LEU CD1 . 31233 1 488 . 1 . 1 111 111 LEU CD2 C 13 22.826 0.00 . 1 . . . . A 361 LEU CD2 . 31233 1 489 . 1 . 1 111 111 LEU N N 15 119.234 0.00 . 1 . . . . A 361 LEU N . 31233 1 490 . 1 . 1 112 112 ARG H H 1 8.678 0.00 . 1 . . . . A 362 ARG H . 31233 1 491 . 1 . 1 112 112 ARG N N 15 121.068 0.00 . 1 . . . . A 362 ARG N . 31233 1 492 . 1 . 1 113 113 LEU HD11 H 1 1.051 0.00 . 1 . . . . A 363 LEU HD11 . 31233 1 493 . 1 . 1 113 113 LEU HD12 H 1 1.051 0.00 . 1 . . . . A 363 LEU HD12 . 31233 1 494 . 1 . 1 113 113 LEU HD13 H 1 1.051 0.00 . 1 . . . . A 363 LEU HD13 . 31233 1 495 . 1 . 1 113 113 LEU HD21 H 1 1.014 0.00 . 1 . . . . A 363 LEU HD21 . 31233 1 496 . 1 . 1 113 113 LEU HD22 H 1 1.014 0.00 . 1 . . . . A 363 LEU HD22 . 31233 1 497 . 1 . 1 113 113 LEU HD23 H 1 1.014 0.00 . 1 . . . . A 363 LEU HD23 . 31233 1 498 . 1 . 1 113 113 LEU CD1 C 13 26.346 0.00 . 1 . . . . A 363 LEU CD1 . 31233 1 499 . 1 . 1 113 113 LEU CD2 C 13 23.130 0.00 . 1 . . . . A 363 LEU CD2 . 31233 1 500 . 1 . 1 115 115 GLN H H 1 7.288 0.00 . 1 . . . . A 365 GLN H . 31233 1 501 . 1 . 1 115 115 GLN N N 15 114.832 0.00 . 1 . . . . A 365 GLN N . 31233 1 502 . 1 . 1 116 116 LEU HD11 H 1 0.783 0.01 . 1 . . . . A 366 LEU HD11 . 31233 1 503 . 1 . 1 116 116 LEU HD12 H 1 0.783 0.01 . 1 . . . . A 366 LEU HD12 . 31233 1 504 . 1 . 1 116 116 LEU HD13 H 1 0.783 0.01 . 1 . . . . A 366 LEU HD13 . 31233 1 505 . 1 . 1 116 116 LEU HD21 H 1 0.914 0.00 . 1 . . . . A 366 LEU HD21 . 31233 1 506 . 1 . 1 116 116 LEU HD22 H 1 0.914 0.00 . 1 . . . . A 366 LEU HD22 . 31233 1 507 . 1 . 1 116 116 LEU HD23 H 1 0.914 0.00 . 1 . . . . A 366 LEU HD23 . 31233 1 508 . 1 . 1 116 116 LEU CD1 C 13 26.064 0.13 . 1 . . . . A 366 LEU CD1 . 31233 1 509 . 1 . 1 116 116 LEU CD2 C 13 22.927 0.00 . 1 . . . . A 366 LEU CD2 . 31233 1 510 . 1 . 1 117 117 VAL H H 1 8.911 0.01 . 1 . . . . A 367 VAL H . 31233 1 511 . 1 . 1 117 117 VAL HG11 H 1 0.983 0.00 . 1 . . . . A 367 VAL HG11 . 31233 1 512 . 1 . 1 117 117 VAL HG12 H 1 0.983 0.00 . 1 . . . . A 367 VAL HG12 . 31233 1 513 . 1 . 1 117 117 VAL HG13 H 1 0.983 0.00 . 1 . . . . A 367 VAL HG13 . 31233 1 514 . 1 . 1 117 117 VAL HG21 H 1 0.739 0.01 . 1 . . . . A 367 VAL HG21 . 31233 1 515 . 1 . 1 117 117 VAL HG22 H 1 0.739 0.01 . 1 . . . . A 367 VAL HG22 . 31233 1 516 . 1 . 1 117 117 VAL HG23 H 1 0.739 0.01 . 1 . . . . A 367 VAL HG23 . 31233 1 517 . 1 . 1 117 117 VAL CG1 C 13 22.263 0.00 . 1 . . . . A 367 VAL CG1 . 31233 1 518 . 1 . 1 117 117 VAL CG2 C 13 24.038 0.00 . 1 . . . . A 367 VAL CG2 . 31233 1 519 . 1 . 1 117 117 VAL N N 15 118.371 0.00 . 1 . . . . A 367 VAL N . 31233 1 520 . 1 . 1 118 118 ASP H H 1 7.644 0.00 . 1 . . . . A 368 ASP H . 31233 1 521 . 1 . 1 118 118 ASP N N 15 120.499 0.01 . 1 . . . . A 368 ASP N . 31233 1 522 . 1 . 1 119 119 MET HE1 H 1 1.880 0.00 . 1 . . . . A 369 MET HE1 . 31233 1 523 . 1 . 1 119 119 MET HE2 H 1 1.880 0.00 . 1 . . . . A 369 MET HE2 . 31233 1 524 . 1 . 1 119 119 MET HE3 H 1 1.880 0.00 . 1 . . . . A 369 MET HE3 . 31233 1 525 . 1 . 1 119 119 MET CE C 13 18.473 0.00 . 1 . . . . A 369 MET CE . 31233 1 526 . 1 . 1 120 120 ALA H H 1 7.643 0.01 . 1 . . . . A 370 ALA H . 31233 1 527 . 1 . 1 120 120 ALA HB1 H 1 1.549 0.00 . 1 . . . . A 370 ALA HB1 . 31233 1 528 . 1 . 1 120 120 ALA HB2 H 1 1.549 0.00 . 1 . . . . A 370 ALA HB2 . 31233 1 529 . 1 . 1 120 120 ALA HB3 H 1 1.549 0.00 . 1 . . . . A 370 ALA HB3 . 31233 1 530 . 1 . 1 120 120 ALA CB C 13 18.618 0.00 . 1 . . . . A 370 ALA CB . 31233 1 531 . 1 . 1 121 121 ALA H H 1 9.099 0.00 . 1 . . . . A 371 ALA H . 31233 1 532 . 1 . 1 121 121 ALA HB1 H 1 1.682 0.00 . 1 . . . . A 371 ALA HB1 . 31233 1 533 . 1 . 1 121 121 ALA HB2 H 1 1.682 0.00 . 1 . . . . A 371 ALA HB2 . 31233 1 534 . 1 . 1 121 121 ALA HB3 H 1 1.682 0.00 . 1 . . . . A 371 ALA HB3 . 31233 1 535 . 1 . 1 121 121 ALA CB C 13 17.810 0.00 . 1 . . . . A 371 ALA CB . 31233 1 536 . 1 . 1 121 121 ALA N N 15 121.540 0.00 . 1 . . . . A 371 ALA N . 31233 1 537 . 1 . 1 122 122 GLN H H 1 8.375 0.00 . 1 . . . . A 372 GLN H . 31233 1 538 . 1 . 1 122 122 GLN N N 15 119.831 0.00 . 1 . . . . A 372 GLN N . 31233 1 539 . 1 . 1 123 123 ILE HD11 H 1 0.833 0.00 . 1 . . . . A 373 ILE HD11 . 31233 1 540 . 1 . 1 123 123 ILE HD12 H 1 0.833 0.00 . 1 . . . . A 373 ILE HD12 . 31233 1 541 . 1 . 1 123 123 ILE HD13 H 1 0.833 0.00 . 1 . . . . A 373 ILE HD13 . 31233 1 542 . 1 . 1 123 123 ILE CD1 C 13 15.161 0.00 . 1 . . . . A 373 ILE CD1 . 31233 1 543 . 1 . 1 124 124 ALA H H 1 8.961 0.00 . 1 . . . . A 374 ALA H . 31233 1 544 . 1 . 1 124 124 ALA HB1 H 1 1.374 0.00 . 1 . . . . A 374 ALA HB1 . 31233 1 545 . 1 . 1 124 124 ALA HB2 H 1 1.374 0.00 . 1 . . . . A 374 ALA HB2 . 31233 1 546 . 1 . 1 124 124 ALA HB3 H 1 1.374 0.00 . 1 . . . . A 374 ALA HB3 . 31233 1 547 . 1 . 1 124 124 ALA CB C 13 16.530 0.00 . 1 . . . . A 374 ALA CB . 31233 1 548 . 1 . 1 124 124 ALA N N 15 120.525 0.00 . 1 . . . . A 374 ALA N . 31233 1 549 . 1 . 1 125 125 SER H H 1 8.052 0.00 . 1 . . . . A 375 SER H . 31233 1 550 . 1 . 1 125 125 SER N N 15 112.681 0.00 . 1 . . . . A 375 SER N . 31233 1 551 . 1 . 1 126 126 GLY H H 1 7.888 0.00 . 1 . . . . A 376 GLY H . 31233 1 552 . 1 . 1 127 127 MET H H 1 8.894 0.00 . 1 . . . . A 377 MET H . 31233 1 553 . 1 . 1 127 127 MET HE1 H 1 1.776 0.00 . 1 . . . . A 377 MET HE1 . 31233 1 554 . 1 . 1 127 127 MET HE2 H 1 1.776 0.00 . 1 . . . . A 377 MET HE2 . 31233 1 555 . 1 . 1 127 127 MET HE3 H 1 1.776 0.00 . 1 . . . . A 377 MET HE3 . 31233 1 556 . 1 . 1 127 127 MET CE C 13 15.141 0.00 . 1 . . . . A 377 MET CE . 31233 1 557 . 1 . 1 128 128 ALA H H 1 8.825 0.00 . 1 . . . . A 378 ALA H . 31233 1 558 . 1 . 1 128 128 ALA HB1 H 1 1.527 0.00 . 1 . . . . A 378 ALA HB1 . 31233 1 559 . 1 . 1 128 128 ALA HB2 H 1 1.527 0.00 . 1 . . . . A 378 ALA HB2 . 31233 1 560 . 1 . 1 128 128 ALA HB3 H 1 1.527 0.00 . 1 . . . . A 378 ALA HB3 . 31233 1 561 . 1 . 1 128 128 ALA CB C 13 16.566 0.00 . 1 . . . . A 378 ALA CB . 31233 1 562 . 1 . 1 128 128 ALA N N 15 124.452 0.00 . 1 . . . . A 378 ALA N . 31233 1 563 . 1 . 1 129 129 TYR H H 1 7.296 0.00 . 1 . . . . A 379 TYR H . 31233 1 564 . 1 . 1 129 129 TYR HE1 H 1 6.708 0.00 . 1 . . . . A 379 TYR HE1 . 31233 1 565 . 1 . 1 129 129 TYR HE2 H 1 6.708 0.00 . 1 . . . . A 379 TYR HE2 . 31233 1 566 . 1 . 1 129 129 TYR CE1 C 13 118.349 0.00 . 1 . . . . A 379 TYR CE1 . 31233 1 567 . 1 . 1 129 129 TYR CE2 C 13 118.351 0.01 . 1 . . . . A 379 TYR CE2 . 31233 1 568 . 1 . 1 129 129 TYR N N 15 122.398 0.00 . 1 . . . . A 379 TYR N . 31233 1 569 . 1 . 1 130 130 VAL H H 1 7.635 0.01 . 1 . . . . A 380 VAL H . 31233 1 570 . 1 . 1 130 130 VAL HG11 H 1 0.836 0.00 . 1 . . . . A 380 VAL HG11 . 31233 1 571 . 1 . 1 130 130 VAL HG12 H 1 0.836 0.00 . 1 . . . . A 380 VAL HG12 . 31233 1 572 . 1 . 1 130 130 VAL HG13 H 1 0.836 0.00 . 1 . . . . A 380 VAL HG13 . 31233 1 573 . 1 . 1 130 130 VAL HG21 H 1 1.157 0.00 . 1 . . . . A 380 VAL HG21 . 31233 1 574 . 1 . 1 130 130 VAL HG22 H 1 1.157 0.00 . 1 . . . . A 380 VAL HG22 . 31233 1 575 . 1 . 1 130 130 VAL HG23 H 1 1.157 0.00 . 1 . . . . A 380 VAL HG23 . 31233 1 576 . 1 . 1 130 130 VAL CG1 C 13 21.774 0.00 . 1 . . . . A 380 VAL CG1 . 31233 1 577 . 1 . 1 130 130 VAL CG2 C 13 24.123 0.00 . 1 . . . . A 380 VAL CG2 . 31233 1 578 . 1 . 1 131 131 GLU H H 1 7.985 0.01 . 1 . . . . A 381 GLU H . 31233 1 579 . 1 . 1 131 131 GLU N N 15 112.806 0.00 . 1 . . . . A 381 GLU N . 31233 1 580 . 1 . 1 132 132 ARG H H 1 8.083 0.00 . 1 . . . . A 382 ARG H . 31233 1 581 . 1 . 1 132 132 ARG N N 15 121.273 0.00 . 1 . . . . A 382 ARG N . 31233 1 582 . 1 . 1 133 133 MET H H 1 7.785 0.00 . 1 . . . . A 383 MET H . 31233 1 583 . 1 . 1 133 133 MET HE1 H 1 2.126 0.00 . 1 . . . . A 383 MET HE1 . 31233 1 584 . 1 . 1 133 133 MET HE2 H 1 2.126 0.00 . 1 . . . . A 383 MET HE2 . 31233 1 585 . 1 . 1 133 133 MET HE3 H 1 2.126 0.00 . 1 . . . . A 383 MET HE3 . 31233 1 586 . 1 . 1 133 133 MET CE C 13 16.701 0.00 . 1 . . . . A 383 MET CE . 31233 1 587 . 1 . 1 134 134 ASN H H 1 8.007 0.01 . 1 . . . . A 384 ASN H . 31233 1 588 . 1 . 1 134 134 ASN N N 15 113.590 0.00 . 1 . . . . A 384 ASN N . 31233 1 589 . 1 . 1 135 135 TYR H H 1 8.064 0.01 . 1 . . . . A 385 TYR H . 31233 1 590 . 1 . 1 135 135 TYR HE1 H 1 6.589 0.01 . 1 . . . . A 385 TYR HE1 . 31233 1 591 . 1 . 1 135 135 TYR HE2 H 1 6.587 0.00 . 1 . . . . A 385 TYR HE2 . 31233 1 592 . 1 . 1 135 135 TYR CE1 C 13 118.110 0.01 . 1 . . . . A 385 TYR CE1 . 31233 1 593 . 1 . 1 135 135 TYR CE2 C 13 118.106 0.01 . 1 . . . . A 385 TYR CE2 . 31233 1 594 . 1 . 1 136 136 VAL H H 1 8.444 0.01 . 1 . . . . A 386 VAL H . 31233 1 595 . 1 . 1 136 136 VAL HG11 H 1 0.889 0.00 . 1 . . . . A 386 VAL HG11 . 31233 1 596 . 1 . 1 136 136 VAL HG12 H 1 0.889 0.00 . 1 . . . . A 386 VAL HG12 . 31233 1 597 . 1 . 1 136 136 VAL HG13 H 1 0.889 0.00 . 1 . . . . A 386 VAL HG13 . 31233 1 598 . 1 . 1 136 136 VAL HG21 H 1 0.788 0.00 . 1 . . . . A 386 VAL HG21 . 31233 1 599 . 1 . 1 136 136 VAL HG22 H 1 0.788 0.00 . 1 . . . . A 386 VAL HG22 . 31233 1 600 . 1 . 1 136 136 VAL HG23 H 1 0.788 0.00 . 1 . . . . A 386 VAL HG23 . 31233 1 601 . 1 . 1 136 136 VAL CG1 C 13 21.969 0.02 . 1 . . . . A 386 VAL CG1 . 31233 1 602 . 1 . 1 136 136 VAL CG2 C 13 21.146 0.00 . 1 . . . . A 386 VAL CG2 . 31233 1 603 . 1 . 1 136 136 VAL N N 15 125.439 0.00 . 1 . . . . A 386 VAL N . 31233 1 604 . 1 . 1 137 137 HIS H H 1 9.512 0.00 . 1 . . . . A 387 HIS H . 31233 1 605 . 1 . 1 137 137 HIS N N 15 108.103 0.00 . 1 . . . . A 387 HIS N . 31233 1 606 . 1 . 1 138 138 ARG H H 1 8.320 0.00 . 1 . . . . A 388 ARG H . 31233 1 607 . 1 . 1 140 140 LEU HD11 H 1 0.657 0.00 . 1 . . . . A 390 LEU HD11 . 31233 1 608 . 1 . 1 140 140 LEU HD12 H 1 0.657 0.00 . 1 . . . . A 390 LEU HD12 . 31233 1 609 . 1 . 1 140 140 LEU HD13 H 1 0.657 0.00 . 1 . . . . A 390 LEU HD13 . 31233 1 610 . 1 . 1 140 140 LEU HD21 H 1 1.063 0.01 . 1 . . . . A 390 LEU HD21 . 31233 1 611 . 1 . 1 140 140 LEU HD22 H 1 1.063 0.01 . 1 . . . . A 390 LEU HD22 . 31233 1 612 . 1 . 1 140 140 LEU HD23 H 1 1.063 0.01 . 1 . . . . A 390 LEU HD23 . 31233 1 613 . 1 . 1 140 140 LEU CD1 C 13 23.400 0.00 . 1 . . . . A 390 LEU CD1 . 31233 1 614 . 1 . 1 140 140 LEU CD2 C 13 26.227 0.00 . 1 . . . . A 390 LEU CD2 . 31233 1 615 . 1 . 1 141 141 ARG H H 1 6.713 0.01 . 1 . . . . A 391 ARG H . 31233 1 616 . 1 . 1 141 141 ARG N N 15 115.745 0.00 . 1 . . . . A 391 ARG N . 31233 1 617 . 1 . 1 142 142 ALA H H 1 10.418 0.00 . 1 . . . . A 392 ALA H . 31233 1 618 . 1 . 1 142 142 ALA HB1 H 1 1.277 0.00 . 1 . . . . A 392 ALA HB1 . 31233 1 619 . 1 . 1 142 142 ALA HB2 H 1 1.277 0.00 . 1 . . . . A 392 ALA HB2 . 31233 1 620 . 1 . 1 142 142 ALA HB3 H 1 1.277 0.00 . 1 . . . . A 392 ALA HB3 . 31233 1 621 . 1 . 1 142 142 ALA CB C 13 16.147 0.00 . 1 . . . . A 392 ALA CB . 31233 1 622 . 1 . 1 142 142 ALA N N 15 126.797 0.00 . 1 . . . . A 392 ALA N . 31233 1 623 . 1 . 1 143 143 ALA H H 1 9.548 0.01 . 1 . . . . A 393 ALA H . 31233 1 624 . 1 . 1 143 143 ALA HB1 H 1 1.200 0.00 . 1 . . . . A 393 ALA HB1 . 31233 1 625 . 1 . 1 143 143 ALA HB2 H 1 1.200 0.00 . 1 . . . . A 393 ALA HB2 . 31233 1 626 . 1 . 1 143 143 ALA HB3 H 1 1.200 0.00 . 1 . . . . A 393 ALA HB3 . 31233 1 627 . 1 . 1 143 143 ALA CB C 13 18.504 0.00 . 1 . . . . A 393 ALA CB . 31233 1 628 . 1 . 1 143 143 ALA N N 15 118.241 0.00 . 1 . . . . A 393 ALA N . 31233 1 629 . 1 . 1 144 144 ASN H H 1 7.740 0.00 . 1 . . . . A 394 ASN H . 31233 1 630 . 1 . 1 145 145 ILE H H 1 8.020 0.00 . 1 . . . . A 395 ILE H . 31233 1 631 . 1 . 1 145 145 ILE HD11 H 1 0.663 0.00 . 1 . . . . A 395 ILE HD11 . 31233 1 632 . 1 . 1 145 145 ILE HD12 H 1 0.663 0.00 . 1 . . . . A 395 ILE HD12 . 31233 1 633 . 1 . 1 145 145 ILE HD13 H 1 0.663 0.00 . 1 . . . . A 395 ILE HD13 . 31233 1 634 . 1 . 1 145 145 ILE CD1 C 13 11.107 0.00 . 1 . . . . A 395 ILE CD1 . 31233 1 635 . 1 . 1 145 145 ILE N N 15 122.424 0.00 . 1 . . . . A 395 ILE N . 31233 1 636 . 1 . 1 146 146 LEU H H 1 8.869 0.00 . 1 . . . . A 396 LEU H . 31233 1 637 . 1 . 1 146 146 LEU HD11 H 1 0.828 0.00 . 1 . . . . A 396 LEU HD11 . 31233 1 638 . 1 . 1 146 146 LEU HD12 H 1 0.828 0.00 . 1 . . . . A 396 LEU HD12 . 31233 1 639 . 1 . 1 146 146 LEU HD13 H 1 0.828 0.00 . 1 . . . . A 396 LEU HD13 . 31233 1 640 . 1 . 1 146 146 LEU HD21 H 1 0.700 0.00 . 1 . . . . A 396 LEU HD21 . 31233 1 641 . 1 . 1 146 146 LEU HD22 H 1 0.700 0.00 . 1 . . . . A 396 LEU HD22 . 31233 1 642 . 1 . 1 146 146 LEU HD23 H 1 0.700 0.00 . 1 . . . . A 396 LEU HD23 . 31233 1 643 . 1 . 1 146 146 LEU CD1 C 13 25.873 0.00 . 1 . . . . A 396 LEU CD1 . 31233 1 644 . 1 . 1 146 146 LEU CD2 C 13 22.240 0.00 . 1 . . . . A 396 LEU CD2 . 31233 1 645 . 1 . 1 146 146 LEU N N 15 126.256 0.00 . 1 . . . . A 396 LEU N . 31233 1 646 . 1 . 1 147 147 VAL H H 1 8.553 0.00 . 1 . . . . A 397 VAL H . 31233 1 647 . 1 . 1 147 147 VAL HG11 H 1 0.181 0.00 . 1 . . . . A 397 VAL HG11 . 31233 1 648 . 1 . 1 147 147 VAL HG12 H 1 0.181 0.00 . 1 . . . . A 397 VAL HG12 . 31233 1 649 . 1 . 1 147 147 VAL HG13 H 1 0.181 0.00 . 1 . . . . A 397 VAL HG13 . 31233 1 650 . 1 . 1 147 147 VAL HG21 H 1 0.557 0.00 . 1 . . . . A 397 VAL HG21 . 31233 1 651 . 1 . 1 147 147 VAL HG22 H 1 0.557 0.00 . 1 . . . . A 397 VAL HG22 . 31233 1 652 . 1 . 1 147 147 VAL HG23 H 1 0.557 0.00 . 1 . . . . A 397 VAL HG23 . 31233 1 653 . 1 . 1 147 147 VAL CG1 C 13 19.949 0.00 . 1 . . . . A 397 VAL CG1 . 31233 1 654 . 1 . 1 147 147 VAL CG2 C 13 21.600 0.01 . 1 . . . . A 397 VAL CG2 . 31233 1 655 . 1 . 1 147 147 VAL N N 15 120.206 0.00 . 1 . . . . A 397 VAL N . 31233 1 656 . 1 . 1 148 148 GLY H H 1 8.864 0.00 . 1 . . . . A 398 GLY H . 31233 1 657 . 1 . 1 148 148 GLY N N 15 114.885 0.00 . 1 . . . . A 398 GLY N . 31233 1 658 . 1 . 1 149 149 GLU H H 1 8.288 0.00 . 1 . . . . A 399 GLU H . 31233 1 659 . 1 . 1 149 149 GLU N N 15 118.674 0.00 . 1 . . . . A 399 GLU N . 31233 1 660 . 1 . 1 150 150 ASN H H 1 9.204 0.00 . 1 . . . . A 400 ASN H . 31233 1 661 . 1 . 1 150 150 ASN N N 15 116.955 0.00 . 1 . . . . A 400 ASN N . 31233 1 662 . 1 . 1 151 151 LEU H H 1 8.497 0.01 . 1 . . . . A 401 LEU H . 31233 1 663 . 1 . 1 151 151 LEU HD11 H 1 0.899 0.00 . 1 . . . . A 401 LEU HD11 . 31233 1 664 . 1 . 1 151 151 LEU HD12 H 1 0.899 0.00 . 1 . . . . A 401 LEU HD12 . 31233 1 665 . 1 . 1 151 151 LEU HD13 H 1 0.899 0.00 . 1 . . . . A 401 LEU HD13 . 31233 1 666 . 1 . 1 151 151 LEU HD21 H 1 0.967 0.00 . 1 . . . . A 401 LEU HD21 . 31233 1 667 . 1 . 1 151 151 LEU HD22 H 1 0.967 0.00 . 1 . . . . A 401 LEU HD22 . 31233 1 668 . 1 . 1 151 151 LEU HD23 H 1 0.967 0.00 . 1 . . . . A 401 LEU HD23 . 31233 1 669 . 1 . 1 151 151 LEU CD1 C 13 23.609 0.00 . 1 . . . . A 401 LEU CD1 . 31233 1 670 . 1 . 1 151 151 LEU CD2 C 13 25.548 0.00 . 1 . . . . A 401 LEU CD2 . 31233 1 671 . 1 . 1 151 151 LEU N N 15 111.625 0.00 . 1 . . . . A 401 LEU N . 31233 1 672 . 1 . 1 152 152 VAL H H 1 6.771 0.00 . 1 . . . . A 402 VAL H . 31233 1 673 . 1 . 1 152 152 VAL HG11 H 1 0.850 0.00 . 1 . . . . A 402 VAL HG11 . 31233 1 674 . 1 . 1 152 152 VAL HG12 H 1 0.850 0.00 . 1 . . . . A 402 VAL HG12 . 31233 1 675 . 1 . 1 152 152 VAL HG13 H 1 0.850 0.00 . 1 . . . . A 402 VAL HG13 . 31233 1 676 . 1 . 1 152 152 VAL HG21 H 1 1.017 0.00 . 1 . . . . A 402 VAL HG21 . 31233 1 677 . 1 . 1 152 152 VAL HG22 H 1 1.017 0.00 . 1 . . . . A 402 VAL HG22 . 31233 1 678 . 1 . 1 152 152 VAL HG23 H 1 1.017 0.00 . 1 . . . . A 402 VAL HG23 . 31233 1 679 . 1 . 1 152 152 VAL CG1 C 13 21.787 0.00 . 1 . . . . A 402 VAL CG1 . 31233 1 680 . 1 . 1 152 152 VAL CG2 C 13 22.542 0.00 . 1 . . . . A 402 VAL CG2 . 31233 1 681 . 1 . 1 152 152 VAL N N 15 118.600 0.00 . 1 . . . . A 402 VAL N . 31233 1 682 . 1 . 1 153 153 CYS H H 1 8.161 0.00 . 1 . . . . A 403 CYS H . 31233 1 683 . 1 . 1 153 153 CYS N N 15 123.390 0.00 . 1 . . . . A 403 CYS N . 31233 1 684 . 1 . 1 154 154 LYS H H 1 8.576 0.02 . 1 . . . . A 404 LYS H . 31233 1 685 . 1 . 1 154 154 LYS N N 15 113.958 0.00 . 1 . . . . A 404 LYS N . 31233 1 686 . 1 . 1 155 155 VAL H H 1 8.819 0.00 . 1 . . . . A 405 VAL H . 31233 1 687 . 1 . 1 155 155 VAL HG11 H 1 0.683 0.00 . 1 . . . . A 405 VAL HG11 . 31233 1 688 . 1 . 1 155 155 VAL HG12 H 1 0.683 0.00 . 1 . . . . A 405 VAL HG12 . 31233 1 689 . 1 . 1 155 155 VAL HG13 H 1 0.683 0.00 . 1 . . . . A 405 VAL HG13 . 31233 1 690 . 1 . 1 155 155 VAL HG21 H 1 0.885 0.00 . 1 . . . . A 405 VAL HG21 . 31233 1 691 . 1 . 1 155 155 VAL HG22 H 1 0.885 0.00 . 1 . . . . A 405 VAL HG22 . 31233 1 692 . 1 . 1 155 155 VAL HG23 H 1 0.885 0.00 . 1 . . . . A 405 VAL HG23 . 31233 1 693 . 1 . 1 155 155 VAL CG1 C 13 22.141 0.02 . 1 . . . . A 405 VAL CG1 . 31233 1 694 . 1 . 1 155 155 VAL CG2 C 13 21.490 0.00 . 1 . . . . A 405 VAL CG2 . 31233 1 695 . 1 . 1 155 155 VAL N N 15 122.661 0.00 . 1 . . . . A 405 VAL N . 31233 1 696 . 1 . 1 156 156 ALA H H 1 8.070 0.01 . 1 . . . . A 406 ALA H . 31233 1 697 . 1 . 1 156 156 ALA HB1 H 1 1.328 0.00 . 1 . . . . A 406 ALA HB1 . 31233 1 698 . 1 . 1 156 156 ALA HB2 H 1 1.328 0.00 . 1 . . . . A 406 ALA HB2 . 31233 1 699 . 1 . 1 156 156 ALA HB3 H 1 1.328 0.00 . 1 . . . . A 406 ALA HB3 . 31233 1 700 . 1 . 1 156 156 ALA CB C 13 23.575 0.00 . 1 . . . . A 406 ALA CB . 31233 1 701 . 1 . 1 156 156 ALA N N 15 115.670 0.00 . 1 . . . . A 406 ALA N . 31233 1 702 . 1 . 1 158 158 PHE H H 1 7.614 0.00 . 1 . . . . A 408 PHE H . 31233 1 703 . 1 . 1 158 158 PHE HE1 H 1 7.139 0.00 . 1 . . . . A 408 PHE HE1 . 31233 1 704 . 1 . 1 158 158 PHE HE2 H 1 7.138 0.00 . 1 . . . . A 408 PHE HE2 . 31233 1 705 . 1 . 1 158 158 PHE CE1 C 13 130.635 0.01 . 1 . . . . A 408 PHE CE1 . 31233 1 706 . 1 . 1 158 158 PHE CE2 C 13 130.646 0.01 . 1 . . . . A 408 PHE CE2 . 31233 1 707 . 1 . 1 160 160 LEU H H 1 7.171 0.00 . 1 . . . . A 410 LEU H . 31233 1 708 . 1 . 1 160 160 LEU HD11 H 1 0.735 0.00 . 1 . . . . A 410 LEU HD11 . 31233 1 709 . 1 . 1 160 160 LEU HD12 H 1 0.735 0.00 . 1 . . . . A 410 LEU HD12 . 31233 1 710 . 1 . 1 160 160 LEU HD13 H 1 0.735 0.00 . 1 . . . . A 410 LEU HD13 . 31233 1 711 . 1 . 1 160 160 LEU HD21 H 1 0.709 0.00 . 1 . . . . A 410 LEU HD21 . 31233 1 712 . 1 . 1 160 160 LEU HD22 H 1 0.709 0.00 . 1 . . . . A 410 LEU HD22 . 31233 1 713 . 1 . 1 160 160 LEU HD23 H 1 0.709 0.00 . 1 . . . . A 410 LEU HD23 . 31233 1 714 . 1 . 1 160 160 LEU CD1 C 13 25.398 0.00 . 1 . . . . A 410 LEU CD1 . 31233 1 715 . 1 . 1 160 160 LEU CD2 C 13 23.060 0.00 . 1 . . . . A 410 LEU CD2 . 31233 1 716 . 1 . 1 161 161 ALA H H 1 8.327 0.00 . 1 . . . . A 411 ALA H . 31233 1 717 . 1 . 1 161 161 ALA HB1 H 1 1.524 0.00 . 1 . . . . A 411 ALA HB1 . 31233 1 718 . 1 . 1 161 161 ALA HB2 H 1 1.524 0.00 . 1 . . . . A 411 ALA HB2 . 31233 1 719 . 1 . 1 161 161 ALA HB3 H 1 1.524 0.00 . 1 . . . . A 411 ALA HB3 . 31233 1 720 . 1 . 1 161 161 ALA CB C 13 20.363 0.00 . 1 . . . . A 411 ALA CB . 31233 1 721 . 1 . 1 162 162 ARG H H 1 7.296 0.02 . 1 . . . . A 412 ARG H . 31233 1 722 . 1 . 1 163 163 LEU H H 1 8.684 0.01 . 1 . . . . A 413 LEU H . 31233 1 723 . 1 . 1 163 163 LEU HD11 H 1 0.780 0.00 . 1 . . . . A 413 LEU HD11 . 31233 1 724 . 1 . 1 163 163 LEU HD12 H 1 0.780 0.00 . 1 . . . . A 413 LEU HD12 . 31233 1 725 . 1 . 1 163 163 LEU HD13 H 1 0.780 0.00 . 1 . . . . A 413 LEU HD13 . 31233 1 726 . 1 . 1 163 163 LEU HD21 H 1 0.614 0.00 . 1 . . . . A 413 LEU HD21 . 31233 1 727 . 1 . 1 163 163 LEU HD22 H 1 0.614 0.00 . 1 . . . . A 413 LEU HD22 . 31233 1 728 . 1 . 1 163 163 LEU HD23 H 1 0.614 0.00 . 1 . . . . A 413 LEU HD23 . 31233 1 729 . 1 . 1 163 163 LEU CD1 C 13 26.007 0.00 . 1 . . . . A 413 LEU CD1 . 31233 1 730 . 1 . 1 163 163 LEU CD2 C 13 23.086 0.00 . 1 . . . . A 413 LEU CD2 . 31233 1 731 . 1 . 1 164 164 ILE H H 1 8.341 0.01 . 1 . . . . A 414 ILE H . 31233 1 732 . 1 . 1 164 164 ILE HD11 H 1 0.725 0.00 . 1 . . . . A 414 ILE HD11 . 31233 1 733 . 1 . 1 164 164 ILE HD12 H 1 0.725 0.00 . 1 . . . . A 414 ILE HD12 . 31233 1 734 . 1 . 1 164 164 ILE HD13 H 1 0.725 0.00 . 1 . . . . A 414 ILE HD13 . 31233 1 735 . 1 . 1 164 164 ILE CD1 C 13 13.164 0.00 . 1 . . . . A 414 ILE CD1 . 31233 1 736 . 1 . 1 164 164 ILE N N 15 125.533 0.00 . 1 . . . . A 414 ILE N . 31233 1 737 . 1 . 1 165 165 GLU H H 1 9.083 0.00 . 1 . . . . A 415 GLU H . 31233 1 738 . 1 . 1 169 169 PTR H H 1 7.934 0.00 . 1 . . . . A 419 PTR H . 31233 1 739 . 1 . 1 169 169 PTR CE1 C 13 122.599 0.00 . 1 . . . . A 419 PTR CE1 . 31233 1 740 . 1 . 1 169 169 PTR CE2 C 13 122.599 0.00 . 1 . . . . A 419 PTR CE2 . 31233 1 741 . 1 . 1 169 169 PTR HE1 H 1 7.073 0.00 . 1 . . . . A 419 PTR HE1 . 31233 1 742 . 1 . 1 169 169 PTR HE2 H 1 7.075 0.00 . 1 . . . . A 419 PTR HE2 . 31233 1 743 . 1 . 1 170 170 THR H H 1 8.024 0.01 . 1 . . . . A 420 THR H . 31233 1 744 . 1 . 1 170 170 THR HG21 H 1 1.170 0.00 . 1 . . . . A 420 THR HG21 . 31233 1 745 . 1 . 1 170 170 THR HG22 H 1 1.170 0.00 . 1 . . . . A 420 THR HG22 . 31233 1 746 . 1 . 1 170 170 THR HG23 H 1 1.170 0.00 . 1 . . . . A 420 THR HG23 . 31233 1 747 . 1 . 1 170 170 THR CG2 C 13 21.747 0.00 . 1 . . . . A 420 THR CG2 . 31233 1 748 . 1 . 1 171 171 ALA H H 1 9.155 0.00 . 1 . . . . A 421 ALA H . 31233 1 749 . 1 . 1 171 171 ALA HB1 H 1 1.709 0.00 . 1 . . . . A 421 ALA HB1 . 31233 1 750 . 1 . 1 171 171 ALA HB2 H 1 1.709 0.00 . 1 . . . . A 421 ALA HB2 . 31233 1 751 . 1 . 1 171 171 ALA HB3 H 1 1.709 0.00 . 1 . . . . A 421 ALA HB3 . 31233 1 752 . 1 . 1 171 171 ALA CB C 13 20.430 0.00 . 1 . . . . A 421 ALA CB . 31233 1 753 . 1 . 1 171 171 ALA N N 15 124.298 0.00 . 1 . . . . A 421 ALA N . 31233 1 754 . 1 . 1 172 172 ARG H H 1 7.141 0.00 . 1 . . . . A 422 ARG H . 31233 1 755 . 1 . 1 174 174 GLY H H 1 9.146 0.00 . 1 . . . . A 424 GLY H . 31233 1 756 . 1 . 1 175 175 ALA H H 1 7.807 0.00 . 1 . . . . A 425 ALA H . 31233 1 757 . 1 . 1 175 175 ALA HB1 H 1 1.434 0.00 . 1 . . . . A 425 ALA HB1 . 31233 1 758 . 1 . 1 175 175 ALA HB2 H 1 1.434 0.00 . 1 . . . . A 425 ALA HB2 . 31233 1 759 . 1 . 1 175 175 ALA HB3 H 1 1.434 0.00 . 1 . . . . A 425 ALA HB3 . 31233 1 760 . 1 . 1 175 175 ALA CB C 13 19.770 0.00 . 1 . . . . A 425 ALA CB . 31233 1 761 . 1 . 1 175 175 ALA N N 15 120.674 0.00 . 1 . . . . A 425 ALA N . 31233 1 762 . 1 . 1 176 176 LYS H H 1 8.153 0.00 . 1 . . . . A 426 LYS H . 31233 1 763 . 1 . 1 176 176 LYS N N 15 120.630 0.00 . 1 . . . . A 426 LYS N . 31233 1 764 . 1 . 1 177 177 PHE HE1 H 1 7.236 0.01 . 1 . . . . A 427 PHE HE1 . 31233 1 765 . 1 . 1 177 177 PHE HE2 H 1 7.234 0.00 . 1 . . . . A 427 PHE HE2 . 31233 1 766 . 1 . 1 177 177 PHE CE1 C 13 131.468 0.00 . 1 . . . . A 427 PHE CE1 . 31233 1 767 . 1 . 1 177 177 PHE CE2 C 13 131.472 0.00 . 1 . . . . A 427 PHE CE2 . 31233 1 768 . 1 . 1 179 179 ILE H H 1 7.792 0.00 . 1 . . . . A 429 ILE H . 31233 1 769 . 1 . 1 179 179 ILE HD11 H 1 0.894 0.00 . 1 . . . . A 429 ILE HD11 . 31233 1 770 . 1 . 1 179 179 ILE HD12 H 1 0.894 0.00 . 1 . . . . A 429 ILE HD12 . 31233 1 771 . 1 . 1 179 179 ILE HD13 H 1 0.894 0.00 . 1 . . . . A 429 ILE HD13 . 31233 1 772 . 1 . 1 179 179 ILE CD1 C 13 12.542 0.02 . 1 . . . . A 429 ILE CD1 . 31233 1 773 . 1 . 1 180 180 LYS H H 1 8.895 0.00 . 1 . . . . A 430 LYS H . 31233 1 774 . 1 . 1 181 181 TRP H H 1 9.277 0.00 . 1 . . . . A 431 TRP H . 31233 1 775 . 1 . 1 181 181 TRP HE1 H 1 10.460 0.00 . 1 . . . . A 431 TRP HE1 . 31233 1 776 . 1 . 1 181 181 TRP NE1 N 15 132.228 0.00 . 1 . . . . A 431 TRP NE1 . 31233 1 777 . 1 . 1 182 182 THR H H 1 7.099 0.00 . 1 . . . . A 432 THR H . 31233 1 778 . 1 . 1 182 182 THR HG21 H 1 1.089 0.00 . 1 . . . . A 432 THR HG21 . 31233 1 779 . 1 . 1 182 182 THR HG22 H 1 1.089 0.00 . 1 . . . . A 432 THR HG22 . 31233 1 780 . 1 . 1 182 182 THR HG23 H 1 1.089 0.00 . 1 . . . . A 432 THR HG23 . 31233 1 781 . 1 . 1 182 182 THR CG2 C 13 21.382 0.00 . 1 . . . . A 432 THR CG2 . 31233 1 782 . 1 . 1 183 183 ALA H H 1 8.060 0.00 . 1 . . . . A 433 ALA H . 31233 1 783 . 1 . 1 183 183 ALA HB1 H 1 1.222 0.00 . 1 . . . . A 433 ALA HB1 . 31233 1 784 . 1 . 1 183 183 ALA HB2 H 1 1.222 0.00 . 1 . . . . A 433 ALA HB2 . 31233 1 785 . 1 . 1 183 183 ALA HB3 H 1 1.222 0.00 . 1 . . . . A 433 ALA HB3 . 31233 1 786 . 1 . 1 183 183 ALA CB C 13 18.270 0.01 . 1 . . . . A 433 ALA CB . 31233 1 787 . 1 . 1 183 183 ALA N N 15 121.252 0.00 . 1 . . . . A 433 ALA N . 31233 1 788 . 1 . 1 185 185 GLU H H 1 9.146 0.00 . 1 . . . . A 435 GLU H . 31233 1 789 . 1 . 1 185 185 GLU N N 15 114.903 0.00 . 1 . . . . A 435 GLU N . 31233 1 790 . 1 . 1 186 186 ALA H H 1 6.614 0.00 . 1 . . . . A 436 ALA H . 31233 1 791 . 1 . 1 186 186 ALA HB1 H 1 0.194 0.00 . 1 . . . . A 436 ALA HB1 . 31233 1 792 . 1 . 1 186 186 ALA HB2 H 1 0.194 0.00 . 1 . . . . A 436 ALA HB2 . 31233 1 793 . 1 . 1 186 186 ALA HB3 H 1 0.194 0.00 . 1 . . . . A 436 ALA HB3 . 31233 1 794 . 1 . 1 186 186 ALA CB C 13 16.816 0.02 . 1 . . . . A 436 ALA CB . 31233 1 795 . 1 . 1 186 186 ALA N N 15 126.301 0.00 . 1 . . . . A 436 ALA N . 31233 1 796 . 1 . 1 187 187 ALA H H 1 7.691 0.00 . 1 . . . . A 437 ALA H . 31233 1 797 . 1 . 1 187 187 ALA HB1 H 1 1.118 0.00 . 1 . . . . A 437 ALA HB1 . 31233 1 798 . 1 . 1 187 187 ALA HB2 H 1 1.118 0.00 . 1 . . . . A 437 ALA HB2 . 31233 1 799 . 1 . 1 187 187 ALA HB3 H 1 1.118 0.00 . 1 . . . . A 437 ALA HB3 . 31233 1 800 . 1 . 1 187 187 ALA CB C 13 19.290 0.01 . 1 . . . . A 437 ALA CB . 31233 1 801 . 1 . 1 187 187 ALA N N 15 119.696 0.00 . 1 . . . . A 437 ALA N . 31233 1 802 . 1 . 1 188 188 LEU H H 1 8.399 0.00 . 1 . . . . A 438 LEU H . 31233 1 803 . 1 . 1 188 188 LEU HD11 H 1 0.648 0.00 . 1 . . . . A 438 LEU HD11 . 31233 1 804 . 1 . 1 188 188 LEU HD12 H 1 0.648 0.00 . 1 . . . . A 438 LEU HD12 . 31233 1 805 . 1 . 1 188 188 LEU HD13 H 1 0.648 0.00 . 1 . . . . A 438 LEU HD13 . 31233 1 806 . 1 . 1 188 188 LEU HD21 H 1 0.602 0.00 . 1 . . . . A 438 LEU HD21 . 31233 1 807 . 1 . 1 188 188 LEU HD22 H 1 0.602 0.00 . 1 . . . . A 438 LEU HD22 . 31233 1 808 . 1 . 1 188 188 LEU HD23 H 1 0.602 0.00 . 1 . . . . A 438 LEU HD23 . 31233 1 809 . 1 . 1 188 188 LEU CD1 C 13 22.959 0.00 . 1 . . . . A 438 LEU CD1 . 31233 1 810 . 1 . 1 188 188 LEU CD2 C 13 24.566 0.00 . 1 . . . . A 438 LEU CD2 . 31233 1 811 . 1 . 1 188 188 LEU N N 15 113.793 0.00 . 1 . . . . A 438 LEU N . 31233 1 812 . 1 . 1 189 189 TYR H H 1 6.386 0.00 . 1 . . . . A 439 TYR H . 31233 1 813 . 1 . 1 189 189 TYR HE1 H 1 6.800 0.00 . 1 . . . . A 439 TYR HE1 . 31233 1 814 . 1 . 1 189 189 TYR HE2 H 1 6.801 0.00 . 1 . . . . A 439 TYR HE2 . 31233 1 815 . 1 . 1 189 189 TYR CE1 C 13 118.466 0.00 . 1 . . . . A 439 TYR CE1 . 31233 1 816 . 1 . 1 189 189 TYR CE2 C 13 118.470 0.00 . 1 . . . . A 439 TYR CE2 . 31233 1 817 . 1 . 1 189 189 TYR N N 15 112.559 0.00 . 1 . . . . A 439 TYR N . 31233 1 818 . 1 . 1 190 190 GLY H H 1 7.400 0.01 . 1 . . . . A 440 GLY H . 31233 1 819 . 1 . 1 191 191 ARG H H 1 7.092 0.00 . 1 . . . . A 441 ARG H . 31233 1 820 . 1 . 1 191 191 ARG N N 15 120.243 0.00 . 1 . . . . A 441 ARG N . 31233 1 821 . 1 . 1 192 192 PHE H H 1 8.788 0.00 . 1 . . . . A 442 PHE H . 31233 1 822 . 1 . 1 192 192 PHE HE1 H 1 7.122 0.01 . 1 . . . . A 442 PHE HE1 . 31233 1 823 . 1 . 1 192 192 PHE HE2 H 1 7.127 0.00 . 1 . . . . A 442 PHE HE2 . 31233 1 824 . 1 . 1 192 192 PHE CE1 C 13 131.786 0.00 . 1 . . . . A 442 PHE CE1 . 31233 1 825 . 1 . 1 192 192 PHE CE2 C 13 131.786 0.00 . 1 . . . . A 442 PHE CE2 . 31233 1 826 . 1 . 1 193 193 THR H H 1 7.557 0.00 . 1 . . . . A 443 THR H . 31233 1 827 . 1 . 1 193 193 THR HG21 H 1 1.315 0.00 . 1 . . . . A 443 THR HG21 . 31233 1 828 . 1 . 1 193 193 THR HG22 H 1 1.315 0.00 . 1 . . . . A 443 THR HG22 . 31233 1 829 . 1 . 1 193 193 THR HG23 H 1 1.315 0.00 . 1 . . . . A 443 THR HG23 . 31233 1 830 . 1 . 1 193 193 THR CG2 C 13 21.933 0.00 . 1 . . . . A 443 THR CG2 . 31233 1 831 . 1 . 1 193 193 THR N N 15 114.585 0.00 . 1 . . . . A 443 THR N . 31233 1 832 . 1 . 1 194 194 ILE H H 1 9.651 0.00 . 1 . . . . A 444 ILE H . 31233 1 833 . 1 . 1 194 194 ILE HD11 H 1 1.539 0.00 . 1 . . . . A 444 ILE HD11 . 31233 1 834 . 1 . 1 194 194 ILE HD12 H 1 1.539 0.00 . 1 . . . . A 444 ILE HD12 . 31233 1 835 . 1 . 1 194 194 ILE HD13 H 1 1.539 0.00 . 1 . . . . A 444 ILE HD13 . 31233 1 836 . 1 . 1 194 194 ILE CD1 C 13 13.218 0.00 . 1 . . . . A 444 ILE CD1 . 31233 1 837 . 1 . 1 194 194 ILE N N 15 123.030 0.00 . 1 . . . . A 444 ILE N . 31233 1 838 . 1 . 1 195 195 LYS H H 1 7.662 0.01 . 1 . . . . A 445 LYS H . 31233 1 839 . 1 . 1 196 196 SER H H 1 8.640 0.00 . 1 . . . . A 446 SER H . 31233 1 840 . 1 . 1 196 196 SER N N 15 120.252 0.00 . 1 . . . . A 446 SER N . 31233 1 841 . 1 . 1 197 197 ASP H H 1 8.435 0.01 . 1 . . . . A 447 ASP H . 31233 1 842 . 1 . 1 197 197 ASP N N 15 119.222 0.00 . 1 . . . . A 447 ASP N . 31233 1 843 . 1 . 1 198 198 VAL H H 1 8.257 0.02 . 1 . . . . A 448 VAL H . 31233 1 844 . 1 . 1 198 198 VAL HG11 H 1 0.993 0.00 . 1 . . . . A 448 VAL HG11 . 31233 1 845 . 1 . 1 198 198 VAL HG12 H 1 0.993 0.00 . 1 . . . . A 448 VAL HG12 . 31233 1 846 . 1 . 1 198 198 VAL HG13 H 1 0.993 0.00 . 1 . . . . A 448 VAL HG13 . 31233 1 847 . 1 . 1 198 198 VAL HG21 H 1 0.465 0.00 . 1 . . . . A 448 VAL HG21 . 31233 1 848 . 1 . 1 198 198 VAL HG22 H 1 0.465 0.00 . 1 . . . . A 448 VAL HG22 . 31233 1 849 . 1 . 1 198 198 VAL HG23 H 1 0.465 0.00 . 1 . . . . A 448 VAL HG23 . 31233 1 850 . 1 . 1 198 198 VAL CG1 C 13 22.074 0.00 . 1 . . . . A 448 VAL CG1 . 31233 1 851 . 1 . 1 198 198 VAL CG2 C 13 21.932 0.00 . 1 . . . . A 448 VAL CG2 . 31233 1 852 . 1 . 1 198 198 VAL N N 15 123.121 0.00 . 1 . . . . A 448 VAL N . 31233 1 853 . 1 . 1 199 199 TRP H H 1 7.437 0.00 . 1 . . . . A 449 TRP H . 31233 1 854 . 1 . 1 199 199 TRP HE1 H 1 10.536 0.00 . 1 . . . . A 449 TRP HE1 . 31233 1 855 . 1 . 1 199 199 TRP N N 15 120.862 0.00 . 1 . . . . A 449 TRP N . 31233 1 856 . 1 . 1 199 199 TRP NE1 N 15 131.756 0.00 . 1 . . . . A 449 TRP NE1 . 31233 1 857 . 1 . 1 200 200 SER H H 1 8.700 0.00 . 1 . . . . A 450 SER H . 31233 1 858 . 1 . 1 200 200 SER N N 15 115.906 0.00 . 1 . . . . A 450 SER N . 31233 1 859 . 1 . 1 201 201 PHE H H 1 9.467 0.00 . 1 . . . . A 451 PHE H . 31233 1 860 . 1 . 1 201 201 PHE HE1 H 1 7.165 0.00 . 1 . . . . A 451 PHE HE1 . 31233 1 861 . 1 . 1 201 201 PHE HE2 H 1 7.164 0.00 . 1 . . . . A 451 PHE HE2 . 31233 1 862 . 1 . 1 201 201 PHE CE1 C 13 130.718 0.00 . 1 . . . . A 451 PHE CE1 . 31233 1 863 . 1 . 1 201 201 PHE CE2 C 13 130.713 0.00 . 1 . . . . A 451 PHE CE2 . 31233 1 864 . 1 . 1 201 201 PHE N N 15 123.626 0.00 . 1 . . . . A 451 PHE N . 31233 1 865 . 1 . 1 202 202 GLY H H 1 8.337 0.00 . 1 . . . . A 452 GLY H . 31233 1 866 . 1 . 1 203 203 ILE H H 1 7.820 0.00 . 1 . . . . A 453 ILE H . 31233 1 867 . 1 . 1 203 203 ILE HD11 H 1 0.401 0.00 . 1 . . . . A 453 ILE HD11 . 31233 1 868 . 1 . 1 203 203 ILE HD12 H 1 0.401 0.00 . 1 . . . . A 453 ILE HD12 . 31233 1 869 . 1 . 1 203 203 ILE HD13 H 1 0.401 0.00 . 1 . . . . A 453 ILE HD13 . 31233 1 870 . 1 . 1 203 203 ILE CD1 C 13 8.153 0.00 . 1 . . . . A 453 ILE CD1 . 31233 1 871 . 1 . 1 204 204 LEU HD11 H 1 0.793 0.00 . 1 . . . . A 454 LEU HD11 . 31233 1 872 . 1 . 1 204 204 LEU HD12 H 1 0.793 0.00 . 1 . . . . A 454 LEU HD12 . 31233 1 873 . 1 . 1 204 204 LEU HD13 H 1 0.793 0.00 . 1 . . . . A 454 LEU HD13 . 31233 1 874 . 1 . 1 204 204 LEU HD21 H 1 0.742 0.00 . 1 . . . . A 454 LEU HD21 . 31233 1 875 . 1 . 1 204 204 LEU HD22 H 1 0.742 0.00 . 1 . . . . A 454 LEU HD22 . 31233 1 876 . 1 . 1 204 204 LEU HD23 H 1 0.742 0.00 . 1 . . . . A 454 LEU HD23 . 31233 1 877 . 1 . 1 204 204 LEU CD1 C 13 26.095 0.02 . 1 . . . . A 454 LEU CD1 . 31233 1 878 . 1 . 1 204 204 LEU CD2 C 13 25.272 0.01 . 1 . . . . A 454 LEU CD2 . 31233 1 879 . 1 . 1 205 205 LEU HD11 H 1 0.634 0.00 . 1 . . . . A 455 LEU HD11 . 31233 1 880 . 1 . 1 205 205 LEU HD12 H 1 0.634 0.00 . 1 . . . . A 455 LEU HD12 . 31233 1 881 . 1 . 1 205 205 LEU HD13 H 1 0.634 0.00 . 1 . . . . A 455 LEU HD13 . 31233 1 882 . 1 . 1 205 205 LEU HD21 H 1 0.519 0.00 . 1 . . . . A 455 LEU HD21 . 31233 1 883 . 1 . 1 205 205 LEU HD22 H 1 0.519 0.00 . 1 . . . . A 455 LEU HD22 . 31233 1 884 . 1 . 1 205 205 LEU HD23 H 1 0.519 0.00 . 1 . . . . A 455 LEU HD23 . 31233 1 885 . 1 . 1 205 205 LEU CD1 C 13 25.712 0.00 . 1 . . . . A 455 LEU CD1 . 31233 1 886 . 1 . 1 205 205 LEU CD2 C 13 23.084 0.00 . 1 . . . . A 455 LEU CD2 . 31233 1 887 . 1 . 1 206 206 THR H H 1 7.838 0.00 . 1 . . . . A 456 THR H . 31233 1 888 . 1 . 1 206 206 THR HG21 H 1 1.740 0.00 . 1 . . . . A 456 THR HG21 . 31233 1 889 . 1 . 1 206 206 THR HG22 H 1 1.740 0.00 . 1 . . . . A 456 THR HG22 . 31233 1 890 . 1 . 1 206 206 THR HG23 H 1 1.740 0.00 . 1 . . . . A 456 THR HG23 . 31233 1 891 . 1 . 1 206 206 THR CG2 C 13 23.276 0.00 . 1 . . . . A 456 THR CG2 . 31233 1 892 . 1 . 1 206 206 THR N N 15 124.703 0.00 . 1 . . . . A 456 THR N . 31233 1 893 . 1 . 1 207 207 GLU H H 1 7.810 0.01 . 1 . . . . A 457 GLU H . 31233 1 894 . 1 . 1 207 207 GLU N N 15 124.618 0.00 . 1 . . . . A 457 GLU N . 31233 1 895 . 1 . 1 208 208 LEU H H 1 8.450 0.00 . 1 . . . . A 458 LEU H . 31233 1 896 . 1 . 1 208 208 LEU HD11 H 1 0.875 0.00 . 1 . . . . A 458 LEU HD11 . 31233 1 897 . 1 . 1 208 208 LEU HD12 H 1 0.875 0.00 . 1 . . . . A 458 LEU HD12 . 31233 1 898 . 1 . 1 208 208 LEU HD13 H 1 0.875 0.00 . 1 . . . . A 458 LEU HD13 . 31233 1 899 . 1 . 1 208 208 LEU HD21 H 1 1.038 0.00 . 1 . . . . A 458 LEU HD21 . 31233 1 900 . 1 . 1 208 208 LEU HD22 H 1 1.038 0.00 . 1 . . . . A 458 LEU HD22 . 31233 1 901 . 1 . 1 208 208 LEU HD23 H 1 1.038 0.00 . 1 . . . . A 458 LEU HD23 . 31233 1 902 . 1 . 1 208 208 LEU CD1 C 13 26.124 0.00 . 1 . . . . A 458 LEU CD1 . 31233 1 903 . 1 . 1 208 208 LEU CD2 C 13 25.650 0.00 . 1 . . . . A 458 LEU CD2 . 31233 1 904 . 1 . 1 208 208 LEU N N 15 116.263 0.00 . 1 . . . . A 458 LEU N . 31233 1 905 . 1 . 1 209 209 THR H H 1 7.642 0.00 . 1 . . . . A 459 THR H . 31233 1 906 . 1 . 1 209 209 THR HG21 H 1 1.183 0.00 . 1 . . . . A 459 THR HG21 . 31233 1 907 . 1 . 1 209 209 THR HG22 H 1 1.183 0.00 . 1 . . . . A 459 THR HG22 . 31233 1 908 . 1 . 1 209 209 THR HG23 H 1 1.183 0.00 . 1 . . . . A 459 THR HG23 . 31233 1 909 . 1 . 1 209 209 THR CG2 C 13 22.387 0.00 . 1 . . . . A 459 THR CG2 . 31233 1 910 . 1 . 1 210 210 THR H H 1 7.553 0.00 . 1 . . . . A 460 THR H . 31233 1 911 . 1 . 1 210 210 THR HG21 H 1 1.239 0.00 . 1 . . . . A 460 THR HG21 . 31233 1 912 . 1 . 1 210 210 THR HG22 H 1 1.239 0.00 . 1 . . . . A 460 THR HG22 . 31233 1 913 . 1 . 1 210 210 THR HG23 H 1 1.239 0.00 . 1 . . . . A 460 THR HG23 . 31233 1 914 . 1 . 1 210 210 THR CG2 C 13 20.299 0.00 . 1 . . . . A 460 THR CG2 . 31233 1 915 . 1 . 1 211 211 LYS H H 1 8.001 0.00 . 1 . . . . A 461 LYS H . 31233 1 916 . 1 . 1 211 211 LYS N N 15 118.100 0.00 . 1 . . . . A 461 LYS N . 31233 1 917 . 1 . 1 212 212 GLY H H 1 9.312 0.00 . 1 . . . . A 462 GLY H . 31233 1 918 . 1 . 1 212 212 GLY N N 15 102.997 0.00 . 1 . . . . A 462 GLY N . 31233 1 919 . 1 . 1 213 213 ARG H H 1 7.556 0.00 . 1 . . . . A 463 ARG H . 31233 1 920 . 1 . 1 213 213 ARG N N 15 122.495 0.00 . 1 . . . . A 463 ARG N . 31233 1 921 . 1 . 1 214 214 VAL H H 1 8.241 0.00 . 1 . . . . A 464 VAL H . 31233 1 922 . 1 . 1 214 214 VAL HG11 H 1 1.209 0.00 . 1 . . . . A 464 VAL HG11 . 31233 1 923 . 1 . 1 214 214 VAL HG12 H 1 1.209 0.00 . 1 . . . . A 464 VAL HG12 . 31233 1 924 . 1 . 1 214 214 VAL HG13 H 1 1.209 0.00 . 1 . . . . A 464 VAL HG13 . 31233 1 925 . 1 . 1 214 214 VAL HG21 H 1 1.121 0.00 . 1 . . . . A 464 VAL HG21 . 31233 1 926 . 1 . 1 214 214 VAL HG22 H 1 1.121 0.00 . 1 . . . . A 464 VAL HG22 . 31233 1 927 . 1 . 1 214 214 VAL HG23 H 1 1.121 0.00 . 1 . . . . A 464 VAL HG23 . 31233 1 928 . 1 . 1 214 214 VAL CG1 C 13 21.243 0.00 . 1 . . . . A 464 VAL CG1 . 31233 1 929 . 1 . 1 214 214 VAL CG2 C 13 20.486 0.00 . 1 . . . . A 464 VAL CG2 . 31233 1 930 . 1 . 1 214 214 VAL N N 15 127.236 0.00 . 1 . . . . A 464 VAL N . 31233 1 931 . 1 . 1 216 216 TYR H H 1 7.540 0.00 . 1 . . . . A 466 TYR H . 31233 1 932 . 1 . 1 216 216 TYR HE1 H 1 6.933 0.00 . 1 . . . . A 466 TYR HE1 . 31233 1 933 . 1 . 1 216 216 TYR HE2 H 1 6.937 0.01 . 1 . . . . A 466 TYR HE2 . 31233 1 934 . 1 . 1 216 216 TYR CE1 C 13 118.643 0.00 . 1 . . . . A 466 TYR CE1 . 31233 1 935 . 1 . 1 216 216 TYR CE2 C 13 118.641 0.00 . 1 . . . . A 466 TYR CE2 . 31233 1 936 . 1 . 1 216 216 TYR N N 15 114.788 0.00 . 1 . . . . A 466 TYR N . 31233 1 937 . 1 . 1 218 218 GLY H H 1 8.882 0.00 . 1 . . . . A 468 GLY H . 31233 1 938 . 1 . 1 219 219 MET H H 1 8.004 0.00 . 1 . . . . A 469 MET H . 31233 1 939 . 1 . 1 219 219 MET HE1 H 1 1.418 0.00 . 1 . . . . A 469 MET HE1 . 31233 1 940 . 1 . 1 219 219 MET HE2 H 1 1.418 0.00 . 1 . . . . A 469 MET HE2 . 31233 1 941 . 1 . 1 219 219 MET HE3 H 1 1.418 0.00 . 1 . . . . A 469 MET HE3 . 31233 1 942 . 1 . 1 219 219 MET CE C 13 16.792 0.00 . 1 . . . . A 469 MET CE . 31233 1 943 . 1 . 1 220 220 VAL H H 1 8.618 0.00 . 1 . . . . A 470 VAL H . 31233 1 944 . 1 . 1 220 220 VAL HG11 H 1 1.037 0.00 . 1 . . . . A 470 VAL HG11 . 31233 1 945 . 1 . 1 220 220 VAL HG12 H 1 1.037 0.00 . 1 . . . . A 470 VAL HG12 . 31233 1 946 . 1 . 1 220 220 VAL HG13 H 1 1.037 0.00 . 1 . . . . A 470 VAL HG13 . 31233 1 947 . 1 . 1 220 220 VAL HG21 H 1 0.997 0.00 . 1 . . . . A 470 VAL HG21 . 31233 1 948 . 1 . 1 220 220 VAL HG22 H 1 0.997 0.00 . 1 . . . . A 470 VAL HG22 . 31233 1 949 . 1 . 1 220 220 VAL HG23 H 1 0.997 0.00 . 1 . . . . A 470 VAL HG23 . 31233 1 950 . 1 . 1 220 220 VAL CG1 C 13 21.636 0.00 . 1 . . . . A 470 VAL CG1 . 31233 1 951 . 1 . 1 220 220 VAL CG2 C 13 19.266 0.00 . 1 . . . . A 470 VAL CG2 . 31233 1 952 . 1 . 1 220 220 VAL N N 15 117.879 0.00 . 1 . . . . A 470 VAL N . 31233 1 953 . 1 . 1 221 221 ASN H H 1 8.771 0.00 . 1 . . . . A 471 ASN H . 31233 1 954 . 1 . 1 221 221 ASN N N 15 121.791 0.00 . 1 . . . . A 471 ASN N . 31233 1 955 . 1 . 1 222 222 ARG H H 1 8.607 0.01 . 1 . . . . A 472 ARG H . 31233 1 956 . 1 . 1 222 222 ARG N N 15 116.016 0.00 . 1 . . . . A 472 ARG N . 31233 1 957 . 1 . 1 223 223 GLU H H 1 7.326 0.01 . 1 . . . . A 473 GLU H . 31233 1 958 . 1 . 1 223 223 GLU N N 15 118.152 0.00 . 1 . . . . A 473 GLU N . 31233 1 959 . 1 . 1 224 224 VAL H H 1 7.417 0.00 . 1 . . . . A 474 VAL H . 31233 1 960 . 1 . 1 224 224 VAL HG11 H 1 0.021 0.00 . 1 . . . . A 474 VAL HG11 . 31233 1 961 . 1 . 1 224 224 VAL HG12 H 1 0.021 0.00 . 1 . . . . A 474 VAL HG12 . 31233 1 962 . 1 . 1 224 224 VAL HG13 H 1 0.021 0.00 . 1 . . . . A 474 VAL HG13 . 31233 1 963 . 1 . 1 224 224 VAL HG21 H 1 0.623 0.00 . 1 . . . . A 474 VAL HG21 . 31233 1 964 . 1 . 1 224 224 VAL HG22 H 1 0.623 0.00 . 1 . . . . A 474 VAL HG22 . 31233 1 965 . 1 . 1 224 224 VAL HG23 H 1 0.623 0.00 . 1 . . . . A 474 VAL HG23 . 31233 1 966 . 1 . 1 224 224 VAL CG1 C 13 20.063 0.00 . 1 . . . . A 474 VAL CG1 . 31233 1 967 . 1 . 1 224 224 VAL CG2 C 13 24.189 0.00 . 1 . . . . A 474 VAL CG2 . 31233 1 968 . 1 . 1 224 224 VAL N N 15 118.528 0.00 . 1 . . . . A 474 VAL N . 31233 1 969 . 1 . 1 225 225 LEU H H 1 7.896 0.02 . 1 . . . . A 475 LEU H . 31233 1 970 . 1 . 1 225 225 LEU HD11 H 1 0.772 0.00 . 1 . . . . A 475 LEU HD11 . 31233 1 971 . 1 . 1 225 225 LEU HD12 H 1 0.772 0.00 . 1 . . . . A 475 LEU HD12 . 31233 1 972 . 1 . 1 225 225 LEU HD13 H 1 0.772 0.00 . 1 . . . . A 475 LEU HD13 . 31233 1 973 . 1 . 1 225 225 LEU HD21 H 1 0.688 0.01 . 1 . . . . A 475 LEU HD21 . 31233 1 974 . 1 . 1 225 225 LEU HD22 H 1 0.688 0.01 . 1 . . . . A 475 LEU HD22 . 31233 1 975 . 1 . 1 225 225 LEU HD23 H 1 0.688 0.01 . 1 . . . . A 475 LEU HD23 . 31233 1 976 . 1 . 1 225 225 LEU CD1 C 13 24.029 0.00 . 1 . . . . A 475 LEU CD1 . 31233 1 977 . 1 . 1 225 225 LEU CD2 C 13 23.762 0.00 . 1 . . . . A 475 LEU CD2 . 31233 1 978 . 1 . 1 225 225 LEU N N 15 117.281 0.00 . 1 . . . . A 475 LEU N . 31233 1 979 . 1 . 1 226 226 ASP H H 1 7.934 0.00 . 1 . . . . A 476 ASP H . 31233 1 980 . 1 . 1 226 226 ASP N N 15 117.509 0.00 . 1 . . . . A 476 ASP N . 31233 1 981 . 1 . 1 227 227 GLN H H 1 7.977 0.01 . 1 . . . . A 477 GLN H . 31233 1 982 . 1 . 1 227 227 GLN N N 15 115.956 0.00 . 1 . . . . A 477 GLN N . 31233 1 983 . 1 . 1 228 228 VAL H H 1 9.149 0.01 . 1 . . . . A 478 VAL H . 31233 1 984 . 1 . 1 228 228 VAL HG11 H 1 1.166 0.00 . 1 . . . . A 478 VAL HG11 . 31233 1 985 . 1 . 1 228 228 VAL HG12 H 1 1.166 0.00 . 1 . . . . A 478 VAL HG12 . 31233 1 986 . 1 . 1 228 228 VAL HG13 H 1 1.166 0.00 . 1 . . . . A 478 VAL HG13 . 31233 1 987 . 1 . 1 228 228 VAL HG21 H 1 1.137 0.00 . 1 . . . . A 478 VAL HG21 . 31233 1 988 . 1 . 1 228 228 VAL HG22 H 1 1.137 0.00 . 1 . . . . A 478 VAL HG22 . 31233 1 989 . 1 . 1 228 228 VAL HG23 H 1 1.137 0.00 . 1 . . . . A 478 VAL HG23 . 31233 1 990 . 1 . 1 228 228 VAL CG1 C 13 21.823 0.00 . 1 . . . . A 478 VAL CG1 . 31233 1 991 . 1 . 1 228 228 VAL CG2 C 13 22.544 0.00 . 1 . . . . A 478 VAL CG2 . 31233 1 992 . 1 . 1 228 228 VAL N N 15 120.839 0.01 . 1 . . . . A 478 VAL N . 31233 1 993 . 1 . 1 229 229 GLU H H 1 8.523 0.00 . 1 . . . . A 479 GLU H . 31233 1 994 . 1 . 1 229 229 GLU N N 15 123.659 0.00 . 1 . . . . A 479 GLU N . 31233 1 995 . 1 . 1 230 230 ARG H H 1 7.328 0.00 . 1 . . . . A 480 ARG H . 31233 1 996 . 1 . 1 230 230 ARG N N 15 116.151 0.01 . 1 . . . . A 480 ARG N . 31233 1 997 . 1 . 1 231 231 GLY H H 1 7.772 0.00 . 1 . . . . A 481 GLY H . 31233 1 998 . 1 . 1 231 231 GLY N N 15 106.002 0.00 . 1 . . . . A 481 GLY N . 31233 1 999 . 1 . 1 232 232 TYR H H 1 8.399 0.00 . 1 . . . . A 482 TYR H . 31233 1 1000 . 1 . 1 232 232 TYR HE1 H 1 6.751 0.00 . 1 . . . . A 482 TYR HE1 . 31233 1 1001 . 1 . 1 232 232 TYR HE2 H 1 6.753 0.00 . 1 . . . . A 482 TYR HE2 . 31233 1 1002 . 1 . 1 232 232 TYR CE1 C 13 117.989 0.00 . 1 . . . . A 482 TYR CE1 . 31233 1 1003 . 1 . 1 232 232 TYR CE2 C 13 117.989 0.00 . 1 . . . . A 482 TYR CE2 . 31233 1 1004 . 1 . 1 232 232 TYR N N 15 123.999 0.00 . 1 . . . . A 482 TYR N . 31233 1 1005 . 1 . 1 233 233 ARG H H 1 6.977 0.00 . 1 . . . . A 483 ARG H . 31233 1 1006 . 1 . 1 233 233 ARG N N 15 125.806 0.02 . 1 . . . . A 483 ARG N . 31233 1 1007 . 1 . 1 234 234 MET HE1 H 1 1.546 0.00 . 1 . . . . A 484 MET HE1 . 31233 1 1008 . 1 . 1 234 234 MET HE2 H 1 1.546 0.00 . 1 . . . . A 484 MET HE2 . 31233 1 1009 . 1 . 1 234 234 MET HE3 H 1 1.546 0.00 . 1 . . . . A 484 MET HE3 . 31233 1 1010 . 1 . 1 234 234 MET CE C 13 17.968 0.00 . 1 . . . . A 484 MET CE . 31233 1 1011 . 1 . 1 236 236 CYS H H 1 8.018 0.00 . 1 . . . . A 486 CYS H . 31233 1 1012 . 1 . 1 236 236 CYS N N 15 120.988 0.00 . 1 . . . . A 486 CYS N . 31233 1 1013 . 1 . 1 239 239 GLU H H 1 8.737 0.00 . 1 . . . . A 489 GLU H . 31233 1 1014 . 1 . 1 239 239 GLU N N 15 115.338 0.00 . 1 . . . . A 489 GLU N . 31233 1 1015 . 1 . 1 240 240 CYS H H 1 7.945 0.00 . 1 . . . . A 490 CYS H . 31233 1 1016 . 1 . 1 240 240 CYS N N 15 122.361 0.00 . 1 . . . . A 490 CYS N . 31233 1 1017 . 1 . 1 242 242 GLU H H 1 9.218 0.00 . 1 . . . . A 492 GLU H . 31233 1 1018 . 1 . 1 242 242 GLU N N 15 127.355 0.00 . 1 . . . . A 492 GLU N . 31233 1 1019 . 1 . 1 243 243 SER H H 1 9.014 0.00 . 1 . . . . A 493 SER H . 31233 1 1020 . 1 . 1 243 243 SER N N 15 112.740 0.00 . 1 . . . . A 493 SER N . 31233 1 1021 . 1 . 1 244 244 LEU H H 1 7.514 0.00 . 1 . . . . A 494 LEU H . 31233 1 1022 . 1 . 1 244 244 LEU HD11 H 1 0.614 0.00 . 1 . . . . A 494 LEU HD11 . 31233 1 1023 . 1 . 1 244 244 LEU HD12 H 1 0.614 0.00 . 1 . . . . A 494 LEU HD12 . 31233 1 1024 . 1 . 1 244 244 LEU HD13 H 1 0.614 0.00 . 1 . . . . A 494 LEU HD13 . 31233 1 1025 . 1 . 1 244 244 LEU HD21 H 1 0.574 0.00 . 1 . . . . A 494 LEU HD21 . 31233 1 1026 . 1 . 1 244 244 LEU HD22 H 1 0.574 0.00 . 1 . . . . A 494 LEU HD22 . 31233 1 1027 . 1 . 1 244 244 LEU HD23 H 1 0.574 0.00 . 1 . . . . A 494 LEU HD23 . 31233 1 1028 . 1 . 1 244 244 LEU CD1 C 13 25.233 0.00 . 1 . . . . A 494 LEU CD1 . 31233 1 1029 . 1 . 1 244 244 LEU CD2 C 13 23.555 0.00 . 1 . . . . A 494 LEU CD2 . 31233 1 1030 . 1 . 1 244 244 LEU N N 15 123.180 0.00 . 1 . . . . A 494 LEU N . 31233 1 1031 . 1 . 1 245 245 HIS H H 1 7.618 0.00 . 1 . . . . A 495 HIS H . 31233 1 1032 . 1 . 1 245 245 HIS N N 15 121.177 0.00 . 1 . . . . A 495 HIS N . 31233 1 1033 . 1 . 1 246 246 ASP H H 1 9.212 0.00 . 1 . . . . A 496 ASP H . 31233 1 1034 . 1 . 1 246 246 ASP N N 15 120.818 0.00 . 1 . . . . A 496 ASP N . 31233 1 1035 . 1 . 1 247 247 LEU H H 1 6.806 0.00 . 1 . . . . A 497 LEU H . 31233 1 1036 . 1 . 1 247 247 LEU HD11 H 1 0.174 0.00 . 1 . . . . A 497 LEU HD11 . 31233 1 1037 . 1 . 1 247 247 LEU HD12 H 1 0.174 0.00 . 1 . . . . A 497 LEU HD12 . 31233 1 1038 . 1 . 1 247 247 LEU HD13 H 1 0.174 0.00 . 1 . . . . A 497 LEU HD13 . 31233 1 1039 . 1 . 1 247 247 LEU HD21 H 1 0.662 0.00 . 1 . . . . A 497 LEU HD21 . 31233 1 1040 . 1 . 1 247 247 LEU HD22 H 1 0.662 0.00 . 1 . . . . A 497 LEU HD22 . 31233 1 1041 . 1 . 1 247 247 LEU HD23 H 1 0.662 0.00 . 1 . . . . A 497 LEU HD23 . 31233 1 1042 . 1 . 1 247 247 LEU CD1 C 13 21.579 0.00 . 1 . . . . A 497 LEU CD1 . 31233 1 1043 . 1 . 1 247 247 LEU CD2 C 13 25.383 0.00 . 1 . . . . A 497 LEU CD2 . 31233 1 1044 . 1 . 1 247 247 LEU N N 15 119.774 0.01 . 1 . . . . A 497 LEU N . 31233 1 1045 . 1 . 1 248 248 MET H H 1 8.587 0.00 . 1 . . . . A 498 MET H . 31233 1 1046 . 1 . 1 248 248 MET HE1 H 1 1.873 0.00 . 1 . . . . A 498 MET HE1 . 31233 1 1047 . 1 . 1 248 248 MET HE2 H 1 1.873 0.00 . 1 . . . . A 498 MET HE2 . 31233 1 1048 . 1 . 1 248 248 MET HE3 H 1 1.873 0.00 . 1 . . . . A 498 MET HE3 . 31233 1 1049 . 1 . 1 248 248 MET CE C 13 19.280 0.00 . 1 . . . . A 498 MET CE . 31233 1 1050 . 1 . 1 249 249 CYS H H 1 7.603 0.00 . 1 . . . . A 499 CYS H . 31233 1 1051 . 1 . 1 249 249 CYS N N 15 111.618 0.00 . 1 . . . . A 499 CYS N . 31233 1 1052 . 1 . 1 250 250 GLN H H 1 7.594 0.00 . 1 . . . . A 500 GLN H . 31233 1 1053 . 1 . 1 250 250 GLN N N 15 120.776 0.00 . 1 . . . . A 500 GLN N . 31233 1 1054 . 1 . 1 252 252 TRP HE1 H 1 10.538 0.00 . 1 . . . . A 502 TRP HE1 . 31233 1 1055 . 1 . 1 252 252 TRP NE1 N 15 131.756 0.00 . 1 . . . . A 502 TRP NE1 . 31233 1 1056 . 1 . 1 253 253 ARG H H 1 6.922 0.00 . 1 . . . . A 503 ARG H . 31233 1 1057 . 1 . 1 253 253 ARG N N 15 119.385 0.00 . 1 . . . . A 503 ARG N . 31233 1 1058 . 1 . 1 254 254 LYS H H 1 9.097 0.00 . 1 . . . . A 504 LYS H . 31233 1 1059 . 1 . 1 254 254 LYS N N 15 124.171 0.00 . 1 . . . . A 504 LYS N . 31233 1 1060 . 1 . 1 255 255 GLU H H 1 8.537 0.00 . 1 . . . . A 505 GLU H . 31233 1 1061 . 1 . 1 255 255 GLU N N 15 118.773 0.00 . 1 . . . . A 505 GLU N . 31233 1 1062 . 1 . 1 257 257 GLU H H 1 9.062 0.00 . 1 . . . . A 507 GLU H . 31233 1 1063 . 1 . 1 257 257 GLU N N 15 111.802 0.00 . 1 . . . . A 507 GLU N . 31233 1 1064 . 1 . 1 258 258 GLU H H 1 7.739 0.00 . 1 . . . . A 508 GLU H . 31233 1 1065 . 1 . 1 258 258 GLU N N 15 115.925 0.00 . 1 . . . . A 508 GLU N . 31233 1 1066 . 1 . 1 259 259 ARG H H 1 7.596 0.00 . 1 . . . . A 509 ARG H . 31233 1 1067 . 1 . 1 259 259 ARG N N 15 121.417 0.00 . 1 . . . . A 509 ARG N . 31233 1 1068 . 1 . 1 261 261 THR H H 1 7.410 0.00 . 1 . . . . A 511 THR H . 31233 1 1069 . 1 . 1 261 261 THR HG21 H 1 1.371 0.00 . 1 . . . . A 511 THR HG21 . 31233 1 1070 . 1 . 1 261 261 THR HG22 H 1 1.371 0.00 . 1 . . . . A 511 THR HG22 . 31233 1 1071 . 1 . 1 261 261 THR HG23 H 1 1.371 0.00 . 1 . . . . A 511 THR HG23 . 31233 1 1072 . 1 . 1 261 261 THR CG2 C 13 21.721 0.00 . 1 . . . . A 511 THR CG2 . 31233 1 1073 . 1 . 1 261 261 THR N N 15 104.525 0.00 . 1 . . . . A 511 THR N . 31233 1 1074 . 1 . 1 262 262 PHE HE1 H 1 6.543 0.00 . 1 . . . . A 512 PHE HE1 . 31233 1 1075 . 1 . 1 262 262 PHE HE2 H 1 7.448 0.01 . 1 . . . . A 512 PHE HE2 . 31233 1 1076 . 1 . 1 262 262 PHE CE1 C 13 130.424 0.01 . 1 . . . . A 512 PHE CE1 . 31233 1 1077 . 1 . 1 262 262 PHE CE2 C 13 132.862 0.00 . 1 . . . . A 512 PHE CE2 . 31233 1 1078 . 1 . 1 263 263 GLU H H 1 8.437 0.00 . 1 . . . . A 513 GLU H . 31233 1 1079 . 1 . 1 263 263 GLU N N 15 120.582 0.00 . 1 . . . . A 513 GLU N . 31233 1 1080 . 1 . 1 264 264 TYR H H 1 8.341 0.00 . 1 . . . . A 514 TYR H . 31233 1 1081 . 1 . 1 264 264 TYR HE1 H 1 6.600 0.00 . 1 . . . . A 514 TYR HE1 . 31233 1 1082 . 1 . 1 264 264 TYR HE2 H 1 6.599 0.00 . 1 . . . . A 514 TYR HE2 . 31233 1 1083 . 1 . 1 264 264 TYR CE1 C 13 118.100 0.00 . 1 . . . . A 514 TYR CE1 . 31233 1 1084 . 1 . 1 264 264 TYR CE2 C 13 118.088 0.01 . 1 . . . . A 514 TYR CE2 . 31233 1 1085 . 1 . 1 264 264 TYR N N 15 121.874 0.00 . 1 . . . . A 514 TYR N . 31233 1 1086 . 1 . 1 265 265 LEU HD11 H 1 0.367 0.00 . 1 . . . . A 515 LEU HD11 . 31233 1 1087 . 1 . 1 265 265 LEU HD12 H 1 0.367 0.00 . 1 . . . . A 515 LEU HD12 . 31233 1 1088 . 1 . 1 265 265 LEU HD13 H 1 0.367 0.00 . 1 . . . . A 515 LEU HD13 . 31233 1 1089 . 1 . 1 265 265 LEU HD21 H 1 0.728 0.00 . 1 . . . . A 515 LEU HD21 . 31233 1 1090 . 1 . 1 265 265 LEU HD22 H 1 0.728 0.00 . 1 . . . . A 515 LEU HD22 . 31233 1 1091 . 1 . 1 265 265 LEU HD23 H 1 0.728 0.00 . 1 . . . . A 515 LEU HD23 . 31233 1 1092 . 1 . 1 265 265 LEU CD1 C 13 25.908 0.00 . 1 . . . . A 515 LEU CD1 . 31233 1 1093 . 1 . 1 265 265 LEU CD2 C 13 24.032 0.00 . 1 . . . . A 515 LEU CD2 . 31233 1 1094 . 1 . 1 266 266 GLN H H 1 8.900 0.00 . 1 . . . . A 516 GLN H . 31233 1 1095 . 1 . 1 266 266 GLN N N 15 117.556 0.00 . 1 . . . . A 516 GLN N . 31233 1 1096 . 1 . 1 267 267 ALA H H 1 7.285 0.00 . 1 . . . . A 517 ALA H . 31233 1 1097 . 1 . 1 267 267 ALA HB1 H 1 1.425 0.01 . 1 . . . . A 517 ALA HB1 . 31233 1 1098 . 1 . 1 267 267 ALA HB2 H 1 1.425 0.01 . 1 . . . . A 517 ALA HB2 . 31233 1 1099 . 1 . 1 267 267 ALA HB3 H 1 1.425 0.01 . 1 . . . . A 517 ALA HB3 . 31233 1 1100 . 1 . 1 267 267 ALA CB C 13 18.024 0.00 . 1 . . . . A 517 ALA CB . 31233 1 1101 . 1 . 1 267 267 ALA N N 15 120.222 0.01 . 1 . . . . A 517 ALA N . 31233 1 1102 . 1 . 1 268 268 PHE H H 1 8.664 0.00 . 1 . . . . A 518 PHE H . 31233 1 1103 . 1 . 1 268 268 PHE HE1 H 1 7.234 0.00 . 1 . . . . A 518 PHE HE1 . 31233 1 1104 . 1 . 1 268 268 PHE HE2 H 1 7.235 0.00 . 1 . . . . A 518 PHE HE2 . 31233 1 1105 . 1 . 1 268 268 PHE CE1 C 13 131.462 0.00 . 1 . . . . A 518 PHE CE1 . 31233 1 1106 . 1 . 1 268 268 PHE CE2 C 13 131.462 0.00 . 1 . . . . A 518 PHE CE2 . 31233 1 1107 . 1 . 1 268 268 PHE N N 15 118.566 0.00 . 1 . . . . A 518 PHE N . 31233 1 1108 . 1 . 1 269 269 LEU H H 1 8.324 0.00 . 1 . . . . A 519 LEU H . 31233 1 1109 . 1 . 1 269 269 LEU HD11 H 1 0.989 0.00 . 1 . . . . A 519 LEU HD11 . 31233 1 1110 . 1 . 1 269 269 LEU HD12 H 1 0.989 0.00 . 1 . . . . A 519 LEU HD12 . 31233 1 1111 . 1 . 1 269 269 LEU HD13 H 1 0.989 0.00 . 1 . . . . A 519 LEU HD13 . 31233 1 1112 . 1 . 1 269 269 LEU HD21 H 1 0.761 0.00 . 1 . . . . A 519 LEU HD21 . 31233 1 1113 . 1 . 1 269 269 LEU HD22 H 1 0.761 0.00 . 1 . . . . A 519 LEU HD22 . 31233 1 1114 . 1 . 1 269 269 LEU HD23 H 1 0.761 0.00 . 1 . . . . A 519 LEU HD23 . 31233 1 1115 . 1 . 1 269 269 LEU CD1 C 13 26.262 0.00 . 1 . . . . A 519 LEU CD1 . 31233 1 1116 . 1 . 1 269 269 LEU CD2 C 13 22.356 0.00 . 1 . . . . A 519 LEU CD2 . 31233 1 1117 . 1 . 1 269 269 LEU N N 15 117.778 0.00 . 1 . . . . A 519 LEU N . 31233 1 1118 . 1 . 1 270 270 GLU H H 1 8.680 0.00 . 1 . . . . A 520 GLU H . 31233 1 1119 . 1 . 1 270 270 GLU N N 15 119.679 0.00 . 1 . . . . A 520 GLU N . 31233 1 1120 . 1 . 1 271 271 ASP H H 1 7.490 0.00 . 1 . . . . A 521 ASP H . 31233 1 1121 . 1 . 1 271 271 ASP N N 15 116.196 0.01 . 1 . . . . A 521 ASP N . 31233 1 1122 . 1 . 1 272 272 TYR H H 1 7.170 0.00 . 1 . . . . A 522 TYR H . 31233 1 1123 . 1 . 1 272 272 TYR HE1 H 1 6.221 0.00 . 1 . . . . A 522 TYR HE1 . 31233 1 1124 . 1 . 1 272 272 TYR HE2 H 1 6.220 0.00 . 1 . . . . A 522 TYR HE2 . 31233 1 1125 . 1 . 1 272 272 TYR CE1 C 13 118.146 0.01 . 1 . . . . A 522 TYR CE1 . 31233 1 1126 . 1 . 1 272 272 TYR CE2 C 13 118.145 0.00 . 1 . . . . A 522 TYR CE2 . 31233 1 1127 . 1 . 1 272 272 TYR N N 15 122.720 0.00 . 1 . . . . A 522 TYR N . 31233 1 1128 . 1 . 1 273 273 PHE H H 1 8.732 0.00 . 1 . . . . A 523 PHE H . 31233 1 1129 . 1 . 1 273 273 PHE HE1 H 1 7.147 0.00 . 1 . . . . A 523 PHE HE1 . 31233 1 1130 . 1 . 1 273 273 PHE HE2 H 1 7.147 0.00 . 1 . . . . A 523 PHE HE2 . 31233 1 1131 . 1 . 1 273 273 PHE CE1 C 13 131.517 0.00 . 1 . . . . A 523 PHE CE1 . 31233 1 1132 . 1 . 1 273 273 PHE CE2 C 13 131.517 0.00 . 1 . . . . A 523 PHE CE2 . 31233 1 1133 . 1 . 1 273 273 PHE N N 15 114.406 0.00 . 1 . . . . A 523 PHE N . 31233 1 1134 . 1 . 1 274 274 THR H H 1 7.738 0.00 . 1 . . . . A 524 THR H . 31233 1 1135 . 1 . 1 274 274 THR HG21 H 1 1.237 0.00 . 1 . . . . A 524 THR HG21 . 31233 1 1136 . 1 . 1 274 274 THR HG22 H 1 1.237 0.00 . 1 . . . . A 524 THR HG22 . 31233 1 1137 . 1 . 1 274 274 THR HG23 H 1 1.237 0.00 . 1 . . . . A 524 THR HG23 . 31233 1 1138 . 1 . 1 274 274 THR CG2 C 13 21.896 0.00 . 1 . . . . A 524 THR CG2 . 31233 1 1139 . 1 . 1 274 274 THR N N 15 112.843 0.00 . 1 . . . . A 524 THR N . 31233 1 1140 . 1 . 1 275 275 SER H H 1 8.237 0.00 . 1 . . . . A 525 SER H . 31233 1 1141 . 1 . 1 275 275 SER N N 15 114.726 0.00 . 1 . . . . A 525 SER N . 31233 1 1142 . 1 . 1 276 276 THR H H 1 7.229 0.00 . 1 . . . . A 526 THR H . 31233 1 1143 . 1 . 1 276 276 THR HG21 H 1 1.187 0.00 . 1 . . . . A 526 THR HG21 . 31233 1 1144 . 1 . 1 276 276 THR HG22 H 1 1.187 0.00 . 1 . . . . A 526 THR HG22 . 31233 1 1145 . 1 . 1 276 276 THR HG23 H 1 1.187 0.00 . 1 . . . . A 526 THR HG23 . 31233 1 1146 . 1 . 1 276 276 THR CG2 C 13 22.797 0.00 . 1 . . . . A 526 THR CG2 . 31233 1 1147 . 1 . 1 277 277 GLU H H 1 7.847 0.00 . 1 . . . . A 527 GLU H . 31233 1 1148 . 1 . 1 277 277 GLU N N 15 119.002 0.00 . 1 . . . . A 527 GLU N . 31233 1 1149 . 1 . 1 279 279 GLN H H 1 8.522 0.00 . 1 . . . . A 529 GLN H . 31233 1 1150 . 1 . 1 279 279 GLN N N 15 118.558 0.00 . 1 . . . . A 529 GLN N . 31233 1 1151 . 1 . 1 280 280 TYR H H 1 7.754 0.00 . 1 . . . . A 530 TYR H . 31233 1 1152 . 1 . 1 280 280 TYR HE1 H 1 6.815 0.00 . 1 . . . . A 530 TYR HE1 . 31233 1 1153 . 1 . 1 280 280 TYR HE2 H 1 6.815 0.00 . 1 . . . . A 530 TYR HE2 . 31233 1 1154 . 1 . 1 280 280 TYR CE1 C 13 118.476 0.00 . 1 . . . . A 530 TYR CE1 . 31233 1 1155 . 1 . 1 280 280 TYR CE2 C 13 118.477 0.00 . 1 . . . . A 530 TYR CE2 . 31233 1 1156 . 1 . 1 280 280 TYR N N 15 121.971 0.00 . 1 . . . . A 530 TYR N . 31233 1 1157 . 1 . 1 281 281 GLN H H 1 7.834 0.00 . 1 . . . . A 531 GLN H . 31233 1 1158 . 1 . 1 281 281 GLN N N 15 126.679 0.00 . 1 . . . . A 531 GLN N . 31233 1 1159 . 1 . 1 283 283 GLY H H 1 8.960 0.00 . 1 . . . . A 533 GLY H . 31233 1 1160 . 1 . 1 283 283 GLY N N 15 112.240 0.00 . 1 . . . . A 533 GLY N . 31233 1 1161 . 1 . 1 285 285 ASN H H 1 9.367 0.00 . 1 . . . . A 535 ASN H . 31233 1 1162 . 1 . 1 285 285 ASN N N 15 117.221 0.00 . 1 . . . . A 535 ASN N . 31233 1 1163 . 1 . 1 286 286 LEU H H 1 7.929 0.00 . 1 . . . . A 536 LEU H . 31233 1 1164 . 1 . 1 286 286 LEU HD11 H 1 0.957 0.00 . 1 . . . . A 536 LEU HD11 . 31233 1 1165 . 1 . 1 286 286 LEU HD12 H 1 0.957 0.00 . 1 . . . . A 536 LEU HD12 . 31233 1 1166 . 1 . 1 286 286 LEU HD13 H 1 0.957 0.00 . 1 . . . . A 536 LEU HD13 . 31233 1 1167 . 1 . 1 286 286 LEU HD21 H 1 0.921 0.00 . 1 . . . . A 536 LEU HD21 . 31233 1 1168 . 1 . 1 286 286 LEU HD22 H 1 0.921 0.00 . 1 . . . . A 536 LEU HD22 . 31233 1 1169 . 1 . 1 286 286 LEU HD23 H 1 0.921 0.00 . 1 . . . . A 536 LEU HD23 . 31233 1 1170 . 1 . 1 286 286 LEU CD1 C 13 24.903 0.00 . 1 . . . . A 536 LEU CD1 . 31233 1 1171 . 1 . 1 286 286 LEU CD2 C 13 24.019 0.00 . 1 . . . . A 536 LEU CD2 . 31233 1 1172 . 1 . 1 286 286 LEU N N 15 125.206 0.00 . 1 . . . . A 536 LEU N . 31233 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 31233 _Assigned_chem_shift_list.ID 2 _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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' . . . 31233 2 2 '2D 1H-13C HSQC aromatic' . . . 31233 2 3 '2D 1H-15N HSQC' . . . 31233 2 4 '3D 1H-15N NOESY' . . . 31233 2 5 '3D 1H-13C NOESY' . . . 31233 2 6 '3D 1H-13C NOESY aromatic' . . . 31233 2 7 '3D CCH_Noesy' . . . 31233 2 8 '3D HNCA' . . . 31233 2 9 '3D HNCACB' . . . 31233 2 10 '3D HNCO' . . . 31233 2 11 '2D 1H-15N HSQC' . . . 31233 2 12 '3D 1H-15N NOESY' . . . 31233 2 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 C C 13 174.010 0.00 . 1 . . . . A 251 SER C . 31233 2 2 . 1 . 1 1 1 SER CA C 13 58.775 0.05 . 1 . . . . A 251 SER CA . 31233 2 3 . 1 . 1 1 1 SER CB C 13 63.856 0.00 . 1 . . . . A 251 SER CB . 31233 2 4 . 1 . 1 2 2 LYS H H 1 8.369 0.00 . 1 . . . . A 252 LYS H . 31233 2 5 . 1 . 1 2 2 LYS CA C 13 54.739 0.03 . 1 . . . . A 252 LYS CA . 31233 2 6 . 1 . 1 2 2 LYS CB C 13 32.334 0.00 . 1 . . . . A 252 LYS CB . 31233 2 7 . 1 . 1 2 2 LYS N N 15 124.138 0.00 . 1 . . . . A 252 LYS N . 31233 2 8 . 1 . 1 3 3 PRO C C 13 177.059 0.00 . 1 . . . . A 253 PRO C . 31233 2 9 . 1 . 1 3 3 PRO CA C 13 63.692 0.02 . 1 . . . . A 253 PRO CA . 31233 2 10 . 1 . 1 3 3 PRO CB C 13 32.106 0.00 . 1 . . . . A 253 PRO CB . 31233 2 11 . 1 . 1 4 4 GLN H H 1 8.614 0.00 . 1 . . . . A 254 GLN H . 31233 2 12 . 1 . 1 4 4 GLN C C 13 176.406 0.00 . 1 . . . . A 254 GLN C . 31233 2 13 . 1 . 1 4 4 GLN CA C 13 56.314 0.04 . 1 . . . . A 254 GLN CA . 31233 2 14 . 1 . 1 4 4 GLN CB C 13 29.354 0.00 . 1 . . . . A 254 GLN CB . 31233 2 15 . 1 . 1 4 4 GLN N N 15 120.865 0.00 . 1 . . . . A 254 GLN N . 31233 2 16 . 1 . 1 5 5 THR H H 1 8.220 0.00 . 1 . . . . A 255 THR H . 31233 2 17 . 1 . 1 5 5 THR C C 13 174.562 0.00 . 1 . . . . A 255 THR C . 31233 2 18 . 1 . 1 5 5 THR CA C 13 62.316 0.01 . 1 . . . . A 255 THR CA . 31233 2 19 . 1 . 1 5 5 THR CB C 13 70.060 0.01 . 1 . . . . A 255 THR CB . 31233 2 20 . 1 . 1 5 5 THR N N 15 115.199 0.00 . 1 . . . . A 255 THR N . 31233 2 21 . 1 . 1 6 6 GLN H H 1 8.485 0.00 . 1 . . . . A 256 GLN H . 31233 2 22 . 1 . 1 6 6 GLN C C 13 176.332 0.00 . 1 . . . . A 256 GLN C . 31233 2 23 . 1 . 1 6 6 GLN CA C 13 56.381 0.02 . 1 . . . . A 256 GLN CA . 31233 2 24 . 1 . 1 6 6 GLN CB C 13 29.477 0.01 . 1 . . . . A 256 GLN CB . 31233 2 25 . 1 . 1 6 6 GLN N N 15 122.675 0.00 . 1 . . . . A 256 GLN N . 31233 2 26 . 1 . 1 7 7 GLY H H 1 8.461 0.00 . 1 . . . . A 257 GLY H . 31233 2 27 . 1 . 1 7 7 GLY C C 13 173.927 0.00 . 1 . . . . A 257 GLY C . 31233 2 28 . 1 . 1 7 7 GLY CA C 13 45.627 0.02 . 1 . . . . A 257 GLY CA . 31233 2 29 . 1 . 1 7 7 GLY N N 15 110.204 0.00 . 1 . . . . A 257 GLY N . 31233 2 30 . 1 . 1 8 8 LEU H H 1 8.139 0.00 . 1 . . . . A 258 LEU H . 31233 2 31 . 1 . 1 8 8 LEU C C 13 177.210 0.00 . 1 . . . . A 258 LEU C . 31233 2 32 . 1 . 1 8 8 LEU CA C 13 55.400 0.04 . 1 . . . . A 258 LEU CA . 31233 2 33 . 1 . 1 8 8 LEU CB C 13 42.206 0.00 . 1 . . . . A 258 LEU CB . 31233 2 34 . 1 . 1 8 8 LEU N N 15 121.750 0.00 . 1 . . . . A 258 LEU N . 31233 2 35 . 1 . 1 9 9 ALA H H 1 8.327 0.00 . 1 . . . . A 259 ALA H . 31233 2 36 . 1 . 1 9 9 ALA C C 13 177.691 0.00 . 1 . . . . A 259 ALA C . 31233 2 37 . 1 . 1 9 9 ALA CA C 13 52.740 0.01 . 1 . . . . A 259 ALA CA . 31233 2 38 . 1 . 1 9 9 ALA CB C 13 19.212 0.00 . 1 . . . . A 259 ALA CB . 31233 2 39 . 1 . 1 9 9 ALA N N 15 124.991 0.00 . 1 . . . . A 259 ALA N . 31233 2 40 . 1 . 1 10 10 LYS H H 1 8.298 0.00 . 1 . . . . A 260 LYS H . 31233 2 41 . 1 . 1 10 10 LYS C C 13 176.348 0.00 . 1 . . . . A 260 LYS C . 31233 2 42 . 1 . 1 10 10 LYS CA C 13 56.682 0.02 . 1 . . . . A 260 LYS CA . 31233 2 43 . 1 . 1 10 10 LYS CB C 13 33.020 0.01 . 1 . . . . A 260 LYS CB . 31233 2 44 . 1 . 1 10 10 LYS N N 15 120.714 0.00 . 1 . . . . A 260 LYS N . 31233 2 45 . 1 . 1 11 11 ASP H H 1 8.438 0.00 . 1 . . . . A 261 ASP H . 31233 2 46 . 1 . 1 11 11 ASP C C 13 176.861 0.00 . 1 . . . . A 261 ASP C . 31233 2 47 . 1 . 1 11 11 ASP CA C 13 54.174 0.02 . 1 . . . . A 261 ASP CA . 31233 2 48 . 1 . 1 11 11 ASP CB C 13 42.170 0.00 . 1 . . . . A 261 ASP CB . 31233 2 49 . 1 . 1 11 11 ASP N N 15 121.912 0.00 . 1 . . . . A 261 ASP N . 31233 2 50 . 1 . 1 12 12 ALA H H 1 8.328 0.00 . 1 . . . . A 262 ALA H . 31233 2 51 . 1 . 1 12 12 ALA CA C 13 54.027 0.04 . 1 . . . . A 262 ALA CA . 31233 2 52 . 1 . 1 12 12 ALA CB C 13 18.936 0.00 . 1 . . . . A 262 ALA CB . 31233 2 53 . 1 . 1 12 12 ALA N N 15 123.242 0.00 . 1 . . . . A 262 ALA N . 31233 2 54 . 1 . 1 13 13 TRP H H 1 8.525 0.00 . 1 . . . . A 263 TRP H . 31233 2 55 . 1 . 1 13 13 TRP HE1 H 1 10.279 0.00 . 1 . . . . A 263 TRP HE1 . 31233 2 56 . 1 . 1 13 13 TRP N N 15 118.135 0.00 . 1 . . . . A 263 TRP N . 31233 2 57 . 1 . 1 13 13 TRP NE1 N 15 129.008 0.00 . 1 . . . . A 263 TRP NE1 . 31233 2 58 . 1 . 1 14 14 GLU H H 1 7.616 0.00 . 1 . . . . A 264 GLU H . 31233 2 59 . 1 . 1 14 14 GLU C C 13 177.634 0.00 . 1 . . . . A 264 GLU C . 31233 2 60 . 1 . 1 14 14 GLU CA C 13 56.605 0.03 . 1 . . . . A 264 GLU CA . 31233 2 61 . 1 . 1 14 14 GLU CB C 13 29.892 0.00 . 1 . . . . A 264 GLU CB . 31233 2 62 . 1 . 1 14 14 GLU N N 15 121.310 0.00 . 1 . . . . A 264 GLU N . 31233 2 63 . 1 . 1 15 15 ILE H H 1 8.219 0.00 . 1 . . . . A 265 ILE H . 31233 2 64 . 1 . 1 15 15 ILE CA C 13 58.821 0.09 . 1 . . . . A 265 ILE CA . 31233 2 65 . 1 . 1 15 15 ILE CB C 13 39.659 0.00 . 1 . . . . A 265 ILE CB . 31233 2 66 . 1 . 1 15 15 ILE N N 15 120.106 0.00 . 1 . . . . A 265 ILE N . 31233 2 67 . 1 . 1 16 16 PRO C C 13 179.582 0.00 . 1 . . . . A 266 PRO C . 31233 2 68 . 1 . 1 16 16 PRO CA C 13 62.134 0.01 . 1 . . . . A 266 PRO CA . 31233 2 69 . 1 . 1 16 16 PRO CB C 13 31.976 0.00 . 1 . . . . A 266 PRO CB . 31233 2 70 . 1 . 1 17 17 ARG H H 1 9.426 0.00 . 1 . . . . A 267 ARG H . 31233 2 71 . 1 . 1 17 17 ARG C C 13 178.056 0.00 . 1 . . . . A 267 ARG C . 31233 2 72 . 1 . 1 17 17 ARG CA C 13 60.280 0.02 . 1 . . . . A 267 ARG CA . 31233 2 73 . 1 . 1 17 17 ARG CB C 13 29.907 0.04 . 1 . . . . A 267 ARG CB . 31233 2 74 . 1 . 1 17 17 ARG N N 15 129.048 0.00 . 1 . . . . A 267 ARG N . 31233 2 75 . 1 . 1 18 18 GLU H H 1 9.381 0.00 . 1 . . . . A 268 GLU H . 31233 2 76 . 1 . 1 18 18 GLU C C 13 176.821 0.00 . 1 . . . . A 268 GLU C . 31233 2 77 . 1 . 1 18 18 GLU CA C 13 58.792 0.05 . 1 . . . . A 268 GLU CA . 31233 2 78 . 1 . 1 18 18 GLU CB C 13 27.993 0.06 . 1 . . . . A 268 GLU CB . 31233 2 79 . 1 . 1 18 18 GLU N N 15 114.633 0.00 . 1 . . . . A 268 GLU N . 31233 2 80 . 1 . 1 19 19 SER H H 1 7.927 0.00 . 1 . . . . A 269 SER H . 31233 2 81 . 1 . 1 19 19 SER C C 13 173.132 0.00 . 1 . . . . A 269 SER C . 31233 2 82 . 1 . 1 19 19 SER CA C 13 60.489 0.07 . 1 . . . . A 269 SER CA . 31233 2 83 . 1 . 1 19 19 SER CB C 13 64.304 0.00 . 1 . . . . A 269 SER CB . 31233 2 84 . 1 . 1 19 19 SER N N 15 115.080 0.00 . 1 . . . . A 269 SER N . 31233 2 85 . 1 . 1 20 20 LEU H H 1 7.920 0.01 . 1 . . . . A 270 LEU H . 31233 2 86 . 1 . 1 20 20 LEU C C 13 175.918 0.00 . 1 . . . . A 270 LEU C . 31233 2 87 . 1 . 1 20 20 LEU CA C 13 53.607 0.01 . 1 . . . . A 270 LEU CA . 31233 2 88 . 1 . 1 20 20 LEU CB C 13 45.344 0.03 . 1 . . . . A 270 LEU CB . 31233 2 89 . 1 . 1 20 20 LEU N N 15 123.312 0.00 . 1 . . . . A 270 LEU N . 31233 2 90 . 1 . 1 21 21 ARG H H 1 8.580 0.00 . 1 . . . . A 271 ARG H . 31233 2 91 . 1 . 1 21 21 ARG C C 13 174.795 0.00 . 1 . . . . A 271 ARG C . 31233 2 92 . 1 . 1 21 21 ARG CA C 13 54.922 0.01 . 1 . . . . A 271 ARG CA . 31233 2 93 . 1 . 1 21 21 ARG CB C 13 32.431 0.02 . 1 . . . . A 271 ARG CB . 31233 2 94 . 1 . 1 21 21 ARG N N 15 121.132 0.00 . 1 . . . . A 271 ARG N . 31233 2 95 . 1 . 1 22 22 LEU H H 1 8.796 0.00 . 1 . . . . A 272 LEU H . 31233 2 96 . 1 . 1 22 22 LEU C C 13 176.293 0.00 . 1 . . . . A 272 LEU C . 31233 2 97 . 1 . 1 22 22 LEU CA C 13 57.486 0.02 . 1 . . . . A 272 LEU CA . 31233 2 98 . 1 . 1 22 22 LEU CB C 13 39.448 0.00 . 1 . . . . A 272 LEU CB . 31233 2 99 . 1 . 1 22 22 LEU N N 15 129.145 0.00 . 1 . . . . A 272 LEU N . 31233 2 100 . 1 . 1 23 23 GLU H H 1 8.762 0.00 . 1 . . . . A 273 GLU H . 31233 2 101 . 1 . 1 23 23 GLU C C 13 176.404 0.00 . 1 . . . . A 273 GLU C . 31233 2 102 . 1 . 1 23 23 GLU CA C 13 59.184 0.06 . 1 . . . . A 273 GLU CA . 31233 2 103 . 1 . 1 23 23 GLU CB C 13 31.907 0.02 . 1 . . . . A 273 GLU CB . 31233 2 104 . 1 . 1 23 23 GLU N N 15 122.490 0.00 . 1 . . . . A 273 GLU N . 31233 2 105 . 1 . 1 24 24 VAL H H 1 8.187 0.00 . 1 . . . . A 274 VAL H . 31233 2 106 . 1 . 1 24 24 VAL C C 13 173.339 0.00 . 1 . . . . A 274 VAL C . 31233 2 107 . 1 . 1 24 24 VAL CA C 13 61.442 0.02 . 1 . . . . A 274 VAL CA . 31233 2 108 . 1 . 1 24 24 VAL CB C 13 36.689 0.03 . 1 . . . . A 274 VAL CB . 31233 2 109 . 1 . 1 24 24 VAL N N 15 117.688 0.00 . 1 . . . . A 274 VAL N . 31233 2 110 . 1 . 1 25 25 LYS H H 1 8.586 0.00 . 1 . . . . A 275 LYS H . 31233 2 111 . 1 . 1 25 25 LYS C C 13 175.871 0.00 . 1 . . . . A 275 LYS C . 31233 2 112 . 1 . 1 25 25 LYS CA C 13 57.557 0.02 . 1 . . . . A 275 LYS CA . 31233 2 113 . 1 . 1 25 25 LYS CB C 13 30.793 0.04 . 1 . . . . A 275 LYS CB . 31233 2 114 . 1 . 1 25 25 LYS N N 15 131.476 0.00 . 1 . . . . A 275 LYS N . 31233 2 115 . 1 . 1 26 26 LEU H H 1 9.310 0.00 . 1 . . . . A 276 LEU H . 31233 2 116 . 1 . 1 26 26 LEU C C 13 177.865 0.00 . 1 . . . . A 276 LEU C . 31233 2 117 . 1 . 1 26 26 LEU CA C 13 55.565 0.03 . 1 . . . . A 276 LEU CA . 31233 2 118 . 1 . 1 26 26 LEU CB C 13 42.358 0.00 . 1 . . . . A 276 LEU CB . 31233 2 119 . 1 . 1 26 26 LEU N N 15 129.293 0.00 . 1 . . . . A 276 LEU N . 31233 2 120 . 1 . 1 27 27 GLY H H 1 7.734 0.00 . 1 . . . . A 277 GLY H . 31233 2 121 . 1 . 1 27 27 GLY C C 13 171.004 0.00 . 1 . . . . A 277 GLY C . 31233 2 122 . 1 . 1 27 27 GLY CA C 13 45.641 0.03 . 1 . . . . A 277 GLY CA . 31233 2 123 . 1 . 1 27 27 GLY N N 15 105.403 0.00 . 1 . . . . A 277 GLY N . 31233 2 124 . 1 . 1 28 28 GLN H H 1 8.411 0.00 . 1 . . . . A 278 GLN H . 31233 2 125 . 1 . 1 28 28 GLN C C 13 174.377 0.00 . 1 . . . . A 278 GLN C . 31233 2 126 . 1 . 1 28 28 GLN CA C 13 55.491 0.04 . 1 . . . . A 278 GLN CA . 31233 2 127 . 1 . 1 28 28 GLN CB C 13 31.475 0.04 . 1 . . . . A 278 GLN CB . 31233 2 128 . 1 . 1 28 28 GLN N N 15 116.930 0.00 . 1 . . . . A 278 GLN N . 31233 2 129 . 1 . 1 29 29 GLY H H 1 8.408 0.00 . 1 . . . . A 279 GLY H . 31233 2 130 . 1 . 1 29 29 GLY CA C 13 44.776 0.01 . 1 . . . . A 279 GLY CA . 31233 2 131 . 1 . 1 29 29 GLY N N 15 110.818 0.00 . 1 . . . . A 279 GLY N . 31233 2 132 . 1 . 1 31 31 PHE H H 1 8.214 0.00 . 1 . . . . A 281 PHE H . 31233 2 133 . 1 . 1 31 31 PHE C C 13 174.699 0.00 . 1 . . . . A 281 PHE C . 31233 2 134 . 1 . 1 31 31 PHE CA C 13 56.830 0.00 . 1 . . . . A 281 PHE CA . 31233 2 135 . 1 . 1 31 31 PHE N N 15 114.753 0.00 . 1 . . . . A 281 PHE N . 31233 2 136 . 1 . 1 32 32 GLY H H 1 7.099 0.00 . 1 . . . . A 282 GLY H . 31233 2 137 . 1 . 1 32 32 GLY C C 13 172.523 0.00 . 1 . . . . A 282 GLY C . 31233 2 138 . 1 . 1 32 32 GLY CA C 13 45.876 0.01 . 1 . . . . A 282 GLY CA . 31233 2 139 . 1 . 1 32 32 GLY N N 15 106.097 0.02 . 1 . . . . A 282 GLY N . 31233 2 140 . 1 . 1 33 33 GLU H H 1 8.362 0.00 . 1 . . . . A 283 GLU H . 31233 2 141 . 1 . 1 33 33 GLU C C 13 175.130 0.00 . 1 . . . . A 283 GLU C . 31233 2 142 . 1 . 1 33 33 GLU CA C 13 55.329 0.03 . 1 . . . . A 283 GLU CA . 31233 2 143 . 1 . 1 33 33 GLU CB C 13 34.115 0.00 . 1 . . . . A 283 GLU CB . 31233 2 144 . 1 . 1 33 33 GLU N N 15 118.652 0.00 . 1 . . . . A 283 GLU N . 31233 2 145 . 1 . 1 34 34 VAL H H 1 8.311 0.00 . 1 . . . . A 284 VAL H . 31233 2 146 . 1 . 1 34 34 VAL C C 13 174.917 0.00 . 1 . . . . A 284 VAL C . 31233 2 147 . 1 . 1 34 34 VAL CA C 13 62.093 0.02 . 1 . . . . A 284 VAL CA . 31233 2 148 . 1 . 1 34 34 VAL CB C 13 33.997 0.00 . 1 . . . . A 284 VAL CB . 31233 2 149 . 1 . 1 34 34 VAL N N 15 119.942 0.00 . 1 . . . . A 284 VAL N . 31233 2 150 . 1 . 1 35 35 TRP H H 1 9.835 0.00 . 1 . . . . A 285 TRP H . 31233 2 151 . 1 . 1 35 35 TRP HE1 H 1 10.845 0.00 . 1 . . . . A 285 TRP HE1 . 31233 2 152 . 1 . 1 35 35 TRP C C 13 175.534 0.00 . 1 . . . . A 285 TRP C . 31233 2 153 . 1 . 1 35 35 TRP CA C 13 56.700 0.01 . 1 . . . . A 285 TRP CA . 31233 2 154 . 1 . 1 35 35 TRP CB C 13 32.298 0.02 . 1 . . . . A 285 TRP CB . 31233 2 155 . 1 . 1 35 35 TRP N N 15 127.093 0.00 . 1 . . . . A 285 TRP N . 31233 2 156 . 1 . 1 35 35 TRP NE1 N 15 131.756 0.00 . 1 . . . . A 285 TRP NE1 . 31233 2 157 . 1 . 1 36 36 MET H H 1 9.831 0.00 . 1 . . . . A 286 MET H . 31233 2 158 . 1 . 1 36 36 MET C C 13 176.625 0.00 . 1 . . . . A 286 MET C . 31233 2 159 . 1 . 1 36 36 MET CA C 13 55.134 0.03 . 1 . . . . A 286 MET CA . 31233 2 160 . 1 . 1 36 36 MET CB C 13 35.032 0.01 . 1 . . . . A 286 MET CB . 31233 2 161 . 1 . 1 36 36 MET N N 15 120.979 0.00 . 1 . . . . A 286 MET N . 31233 2 162 . 1 . 1 37 37 GLY H H 1 9.052 0.00 . 1 . . . . A 287 GLY H . 31233 2 163 . 1 . 1 37 37 GLY C C 13 172.262 0.00 . 1 . . . . A 287 GLY C . 31233 2 164 . 1 . 1 37 37 GLY CA C 13 46.497 0.03 . 1 . . . . A 287 GLY CA . 31233 2 165 . 1 . 1 37 37 GLY N N 15 115.024 0.00 . 1 . . . . A 287 GLY N . 31233 2 166 . 1 . 1 38 38 THR H H 1 8.686 0.00 . 1 . . . . A 288 THR H . 31233 2 167 . 1 . 1 38 38 THR C C 13 173.349 0.00 . 1 . . . . A 288 THR C . 31233 2 168 . 1 . 1 38 38 THR CA C 13 61.613 0.03 . 1 . . . . A 288 THR CA . 31233 2 169 . 1 . 1 38 38 THR CB C 13 71.987 0.00 . 1 . . . . A 288 THR CB . 31233 2 170 . 1 . 1 38 38 THR N N 15 114.670 0.00 . 1 . . . . A 288 THR N . 31233 2 171 . 1 . 1 39 39 TRP H H 1 9.777 0.00 . 1 . . . . A 289 TRP H . 31233 2 172 . 1 . 1 39 39 TRP HE1 H 1 9.738 0.00 . 1 . . . . A 289 TRP HE1 . 31233 2 173 . 1 . 1 39 39 TRP C C 13 175.438 0.00 . 1 . . . . A 289 TRP C . 31233 2 174 . 1 . 1 39 39 TRP CA C 13 54.137 0.06 . 1 . . . . A 289 TRP CA . 31233 2 175 . 1 . 1 39 39 TRP CB C 13 32.842 0.02 . 1 . . . . A 289 TRP CB . 31233 2 176 . 1 . 1 39 39 TRP N N 15 128.975 0.06 . 1 . . . . A 289 TRP N . 31233 2 177 . 1 . 1 39 39 TRP NE1 N 15 129.935 0.00 . 1 . . . . A 289 TRP NE1 . 31233 2 178 . 1 . 1 40 40 ASN H H 1 9.659 0.00 . 1 . . . . A 290 ASN H . 31233 2 179 . 1 . 1 40 40 ASN C C 13 175.486 0.00 . 1 . . . . A 290 ASN C . 31233 2 180 . 1 . 1 40 40 ASN CA C 13 54.509 0.02 . 1 . . . . A 290 ASN CA . 31233 2 181 . 1 . 1 40 40 ASN CB C 13 36.653 0.01 . 1 . . . . A 290 ASN CB . 31233 2 182 . 1 . 1 40 40 ASN N N 15 124.561 0.03 . 1 . . . . A 290 ASN N . 31233 2 183 . 1 . 1 41 41 GLY H H 1 9.035 0.00 . 1 . . . . A 291 GLY H . 31233 2 184 . 1 . 1 41 41 GLY C C 13 175.193 0.00 . 1 . . . . A 291 GLY C . 31233 2 185 . 1 . 1 41 41 GLY CA C 13 46.603 0.03 . 1 . . . . A 291 GLY CA . 31233 2 186 . 1 . 1 41 41 GLY N N 15 105.934 0.00 . 1 . . . . A 291 GLY N . 31233 2 187 . 1 . 1 42 42 THR H H 1 7.591 0.00 . 1 . . . . A 292 THR H . 31233 2 188 . 1 . 1 42 42 THR C C 13 174.682 0.00 . 1 . . . . A 292 THR C . 31233 2 189 . 1 . 1 42 42 THR CA C 13 62.740 0.02 . 1 . . . . A 292 THR CA . 31233 2 190 . 1 . 1 42 42 THR CB C 13 71.594 0.08 . 1 . . . . A 292 THR CB . 31233 2 191 . 1 . 1 42 42 THR N N 15 109.113 0.00 . 1 . . . . A 292 THR N . 31233 2 192 . 1 . 1 43 43 THR H H 1 7.954 0.00 . 1 . . . . A 293 THR H . 31233 2 193 . 1 . 1 43 43 THR C C 13 173.349 0.00 . 1 . . . . A 293 THR C . 31233 2 194 . 1 . 1 43 43 THR CA C 13 63.371 0.05 . 1 . . . . A 293 THR CA . 31233 2 195 . 1 . 1 43 43 THR CB C 13 71.034 0.01 . 1 . . . . A 293 THR CB . 31233 2 196 . 1 . 1 43 43 THR N N 15 120.193 0.00 . 1 . . . . A 293 THR N . 31233 2 197 . 1 . 1 44 44 ARG H H 1 9.251 0.01 . 1 . . . . A 294 ARG H . 31233 2 198 . 1 . 1 44 44 ARG C C 13 175.283 0.00 . 1 . . . . A 294 ARG C . 31233 2 199 . 1 . 1 44 44 ARG CA C 13 57.059 0.03 . 1 . . . . A 294 ARG CA . 31233 2 200 . 1 . 1 44 44 ARG N N 15 131.318 0.00 . 1 . . . . A 294 ARG N . 31233 2 201 . 1 . 1 45 45 VAL H H 1 8.599 0.00 . 1 . . . . A 295 VAL H . 31233 2 202 . 1 . 1 45 45 VAL C C 13 174.050 0.00 . 1 . . . . A 295 VAL C . 31233 2 203 . 1 . 1 45 45 VAL CA C 13 60.174 0.04 . 1 . . . . A 295 VAL CA . 31233 2 204 . 1 . 1 45 45 VAL N N 15 116.818 0.00 . 1 . . . . A 295 VAL N . 31233 2 205 . 1 . 1 46 46 ALA H H 1 8.729 0.00 . 1 . . . . A 296 ALA H . 31233 2 206 . 1 . 1 46 46 ALA C C 13 176.371 0.00 . 1 . . . . A 296 ALA C . 31233 2 207 . 1 . 1 46 46 ALA CA C 13 50.904 0.02 . 1 . . . . A 296 ALA CA . 31233 2 208 . 1 . 1 46 46 ALA CB C 13 20.806 0.01 . 1 . . . . A 296 ALA CB . 31233 2 209 . 1 . 1 46 46 ALA N N 15 122.594 0.00 . 1 . . . . A 296 ALA N . 31233 2 210 . 1 . 1 47 47 ILE H H 1 9.508 0.00 . 1 . . . . A 297 ILE H . 31233 2 211 . 1 . 1 47 47 ILE C C 13 174.673 0.00 . 1 . . . . A 297 ILE C . 31233 2 212 . 1 . 1 47 47 ILE CA C 13 60.843 0.03 . 1 . . . . A 297 ILE CA . 31233 2 213 . 1 . 1 47 47 ILE CB C 13 41.651 0.08 . 1 . . . . A 297 ILE CB . 31233 2 214 . 1 . 1 47 47 ILE N N 15 121.214 0.00 . 1 . . . . A 297 ILE N . 31233 2 215 . 1 . 1 48 48 LYS H H 1 9.363 0.00 . 1 . . . . A 298 LYS H . 31233 2 216 . 1 . 1 48 48 LYS C C 13 175.940 0.00 . 1 . . . . A 298 LYS C . 31233 2 217 . 1 . 1 48 48 LYS CA C 13 55.641 0.09 . 1 . . . . A 298 LYS CA . 31233 2 218 . 1 . 1 48 48 LYS CB C 13 33.956 0.00 . 1 . . . . A 298 LYS CB . 31233 2 219 . 1 . 1 48 48 LYS N N 15 128.310 0.00 . 1 . . . . A 298 LYS N . 31233 2 220 . 1 . 1 49 49 THR H H 1 9.306 0.00 . 1 . . . . A 299 THR H . 31233 2 221 . 1 . 1 49 49 THR CA C 13 59.665 0.11 . 1 . . . . A 299 THR CA . 31233 2 222 . 1 . 1 49 49 THR N N 15 116.962 0.00 . 1 . . . . A 299 THR N . 31233 2 223 . 1 . 1 52 52 PRO C C 13 177.454 0.00 . 1 . . . . A 302 PRO C . 31233 2 224 . 1 . 1 52 52 PRO CA C 13 64.389 0.00 . 1 . . . . A 302 PRO CA . 31233 2 225 . 1 . 1 53 53 GLY H H 1 9.137 0.00 . 1 . . . . A 303 GLY H . 31233 2 226 . 1 . 1 53 53 GLY CA C 13 45.734 0.00 . 1 . . . . A 303 GLY CA . 31233 2 227 . 1 . 1 53 53 GLY N N 15 111.682 0.00 . 1 . . . . A 303 GLY N . 31233 2 228 . 1 . 1 55 55 MET C C 13 174.210 0.00 . 1 . . . . A 305 MET C . 31233 2 229 . 1 . 1 56 56 SER H H 1 8.845 0.00 . 1 . . . . A 306 SER H . 31233 2 230 . 1 . 1 56 56 SER CA C 13 57.384 0.00 . 1 . . . . A 306 SER CA . 31233 2 231 . 1 . 1 56 56 SER CB C 13 62.983 0.00 . 1 . . . . A 306 SER CB . 31233 2 232 . 1 . 1 56 56 SER N N 15 119.640 0.00 . 1 . . . . A 306 SER N . 31233 2 233 . 1 . 1 57 57 PRO C C 13 178.057 0.00 . 1 . . . . A 307 PRO C . 31233 2 234 . 1 . 1 57 57 PRO CA C 13 66.287 0.02 . 1 . . . . A 307 PRO CA . 31233 2 235 . 1 . 1 58 58 GLU H H 1 8.591 0.00 . 1 . . . . A 308 GLU H . 31233 2 236 . 1 . 1 58 58 GLU C C 13 179.044 0.00 . 1 . . . . A 308 GLU C . 31233 2 237 . 1 . 1 58 58 GLU CA C 13 60.322 0.03 . 1 . . . . A 308 GLU CA . 31233 2 238 . 1 . 1 58 58 GLU N N 15 115.107 0.00 . 1 . . . . A 308 GLU N . 31233 2 239 . 1 . 1 59 59 ALA H H 1 7.799 0.00 . 1 . . . . A 309 ALA H . 31233 2 240 . 1 . 1 59 59 ALA CA C 13 54.983 0.00 . 1 . . . . A 309 ALA CA . 31233 2 241 . 1 . 1 59 59 ALA CB C 13 18.492 0.04 . 1 . . . . A 309 ALA CB . 31233 2 242 . 1 . 1 59 59 ALA N N 15 122.403 0.00 . 1 . . . . A 309 ALA N . 31233 2 243 . 1 . 1 60 60 PHE H H 1 8.308 0.01 . 1 . . . . A 310 PHE H . 31233 2 244 . 1 . 1 60 60 PHE N N 15 120.714 0.00 . 1 . . . . A 310 PHE N . 31233 2 245 . 1 . 1 66 66 VAL C C 13 177.443 0.00 . 1 . . . . A 316 VAL C . 31233 2 246 . 1 . 1 66 66 VAL CA C 13 61.627 0.00 . 1 . . . . A 316 VAL CA . 31233 2 247 . 1 . 1 67 67 MET H H 1 7.615 0.00 . 1 . . . . A 317 MET H . 31233 2 248 . 1 . 1 67 67 MET CA C 13 56.459 0.01 . 1 . . . . A 317 MET CA . 31233 2 249 . 1 . 1 67 67 MET CB C 13 32.297 0.00 . 1 . . . . A 317 MET CB . 31233 2 250 . 1 . 1 67 67 MET N N 15 114.600 0.00 . 1 . . . . A 317 MET N . 31233 2 251 . 1 . 1 68 68 LYS C C 13 177.512 0.00 . 1 . . . . A 318 LYS C . 31233 2 252 . 1 . 1 69 69 LYS H H 1 7.155 0.00 . 1 . . . . A 319 LYS H . 31233 2 253 . 1 . 1 69 69 LYS CA C 13 56.368 0.02 . 1 . . . . A 319 LYS CA . 31233 2 254 . 1 . 1 69 69 LYS CB C 13 33.264 0.00 . 1 . . . . A 319 LYS CB . 31233 2 255 . 1 . 1 69 69 LYS N N 15 115.436 0.00 . 1 . . . . A 319 LYS N . 31233 2 256 . 1 . 1 71 71 ARG C C 13 172.918 0.00 . 1 . . . . A 321 ARG C . 31233 2 257 . 1 . 1 72 72 HIS H H 1 8.549 0.00 . 1 . . . . A 322 HIS H . 31233 2 258 . 1 . 1 72 72 HIS C C 13 174.908 0.00 . 1 . . . . A 322 HIS C . 31233 2 259 . 1 . 1 72 72 HIS CA C 13 58.134 0.04 . 1 . . . . A 322 HIS CA . 31233 2 260 . 1 . 1 72 72 HIS CB C 13 34.378 0.05 . 1 . . . . A 322 HIS CB . 31233 2 261 . 1 . 1 72 72 HIS N N 15 124.431 0.00 . 1 . . . . A 322 HIS N . 31233 2 262 . 1 . 1 73 73 GLU H H 1 7.803 0.00 . 1 . . . . A 323 GLU H . 31233 2 263 . 1 . 1 73 73 GLU C C 13 176.656 0.00 . 1 . . . . A 323 GLU C . 31233 2 264 . 1 . 1 73 73 GLU CA C 13 59.377 0.06 . 1 . . . . A 323 GLU CA . 31233 2 265 . 1 . 1 73 73 GLU CB C 13 29.234 0.00 . 1 . . . . A 323 GLU CB . 31233 2 266 . 1 . 1 73 73 GLU N N 15 124.763 0.00 . 1 . . . . A 323 GLU N . 31233 2 267 . 1 . 1 74 74 LYS H H 1 10.523 0.00 . 1 . . . . A 324 LYS H . 31233 2 268 . 1 . 1 74 74 LYS C C 13 174.655 0.00 . 1 . . . . A 324 LYS C . 31233 2 269 . 1 . 1 74 74 LYS CA C 13 53.484 0.01 . 1 . . . . A 324 LYS CA . 31233 2 270 . 1 . 1 74 74 LYS CB C 13 29.849 0.02 . 1 . . . . A 324 LYS CB . 31233 2 271 . 1 . 1 74 74 LYS N N 15 118.501 0.04 . 1 . . . . A 324 LYS N . 31233 2 272 . 1 . 1 75 75 LEU H H 1 7.961 0.00 . 1 . . . . A 325 LEU H . 31233 2 273 . 1 . 1 75 75 LEU C C 13 176.704 0.00 . 1 . . . . A 325 LEU C . 31233 2 274 . 1 . 1 75 75 LEU CA C 13 54.061 0.05 . 1 . . . . A 325 LEU CA . 31233 2 275 . 1 . 1 75 75 LEU CB C 13 43.358 0.07 . 1 . . . . A 325 LEU CB . 31233 2 276 . 1 . 1 75 75 LEU N N 15 120.506 0.00 . 1 . . . . A 325 LEU N . 31233 2 277 . 1 . 1 76 76 VAL H H 1 8.488 0.00 . 1 . . . . A 326 VAL H . 31233 2 278 . 1 . 1 76 76 VAL CA C 13 64.816 0.05 . 1 . . . . A 326 VAL CA . 31233 2 279 . 1 . 1 76 76 VAL CB C 13 32.181 0.00 . 1 . . . . A 326 VAL CB . 31233 2 280 . 1 . 1 76 76 VAL N N 15 124.049 0.00 . 1 . . . . A 326 VAL N . 31233 2 281 . 1 . 1 77 77 GLN H H 1 9.228 0.00 . 1 . . . . A 327 GLN H . 31233 2 282 . 1 . 1 77 77 GLN C C 13 175.594 0.00 . 1 . . . . A 327 GLN C . 31233 2 283 . 1 . 1 77 77 GLN CA C 13 56.145 0.00 . 1 . . . . A 327 GLN CA . 31233 2 284 . 1 . 1 77 77 GLN N N 15 127.353 0.00 . 1 . . . . A 327 GLN N . 31233 2 285 . 1 . 1 78 78 LEU H H 1 8.534 0.00 . 1 . . . . A 328 LEU H . 31233 2 286 . 1 . 1 78 78 LEU C C 13 175.869 0.00 . 1 . . . . A 328 LEU C . 31233 2 287 . 1 . 1 78 78 LEU CA C 13 55.406 0.05 . 1 . . . . A 328 LEU CA . 31233 2 288 . 1 . 1 78 78 LEU CB C 13 43.138 0.00 . 1 . . . . A 328 LEU CB . 31233 2 289 . 1 . 1 78 78 LEU N N 15 125.008 0.00 . 1 . . . . A 328 LEU N . 31233 2 290 . 1 . 1 79 79 TYR H H 1 9.337 0.00 . 1 . . . . A 329 TYR H . 31233 2 291 . 1 . 1 79 79 TYR CA C 13 56.256 0.00 . 1 . . . . A 329 TYR CA . 31233 2 292 . 1 . 1 79 79 TYR N N 15 123.798 0.02 . 1 . . . . A 329 TYR N . 31233 2 293 . 1 . 1 80 80 ALA H H 1 8.122 0.01 . 1 . . . . A 330 ALA H . 31233 2 294 . 1 . 1 81 81 VAL H H 1 8.358 0.01 . 1 . . . . A 331 VAL H . 31233 2 295 . 1 . 1 81 81 VAL C C 13 173.655 0.00 . 1 . . . . A 331 VAL C . 31233 2 296 . 1 . 1 81 81 VAL CA C 13 60.193 0.00 . 1 . . . . A 331 VAL CA . 31233 2 297 . 1 . 1 81 81 VAL N N 15 113.509 0.00 . 1 . . . . A 331 VAL N . 31233 2 298 . 1 . 1 82 82 VAL H H 1 8.594 0.00 . 1 . . . . A 332 VAL H . 31233 2 299 . 1 . 1 82 82 VAL CA C 13 62.258 0.00 . 1 . . . . A 332 VAL CA . 31233 2 300 . 1 . 1 82 82 VAL CB C 13 33.333 0.00 . 1 . . . . A 332 VAL CB . 31233 2 301 . 1 . 1 82 82 VAL N N 15 121.864 0.00 . 1 . . . . A 332 VAL N . 31233 2 302 . 1 . 1 83 83 SER C C 13 173.566 0.00 . 1 . . . . A 333 SER C . 31233 2 303 . 1 . 1 83 83 SER CA C 13 60.456 0.09 . 1 . . . . A 333 SER CA . 31233 2 304 . 1 . 1 83 83 SER CB C 13 62.911 0.00 . 1 . . . . A 333 SER CB . 31233 2 305 . 1 . 1 84 84 GLU H H 1 6.795 0.00 . 1 . . . . A 334 GLU H . 31233 2 306 . 1 . 1 84 84 GLU C C 13 175.158 0.00 . 1 . . . . A 334 GLU C . 31233 2 307 . 1 . 1 84 84 GLU CA C 13 54.464 0.02 . 1 . . . . A 334 GLU CA . 31233 2 308 . 1 . 1 84 84 GLU CB C 13 31.750 0.04 . 1 . . . . A 334 GLU CB . 31233 2 309 . 1 . 1 84 84 GLU N N 15 119.696 0.03 . 1 . . . . A 334 GLU N . 31233 2 310 . 1 . 1 85 85 GLU H H 1 8.600 0.01 . 1 . . . . A 335 GLU H . 31233 2 311 . 1 . 1 85 85 GLU CA C 13 56.219 0.03 . 1 . . . . A 335 GLU CA . 31233 2 312 . 1 . 1 85 85 GLU CB C 13 29.986 0.00 . 1 . . . . A 335 GLU CB . 31233 2 313 . 1 . 1 85 85 GLU N N 15 122.223 0.09 . 1 . . . . A 335 GLU N . 31233 2 314 . 1 . 1 88 88 TYR C C 13 175.999 0.00 . 1 . . . . A 338 TYR C . 31233 2 315 . 1 . 1 88 88 TYR CA C 13 52.855 0.00 . 1 . . . . A 338 TYR CA . 31233 2 316 . 1 . 1 89 89 ILE H H 1 9.213 0.00 . 1 . . . . A 339 ILE H . 31233 2 317 . 1 . 1 89 89 ILE C C 13 174.679 0.00 . 1 . . . . A 339 ILE C . 31233 2 318 . 1 . 1 89 89 ILE CA C 13 62.367 0.01 . 1 . . . . A 339 ILE CA . 31233 2 319 . 1 . 1 89 89 ILE N N 15 119.995 0.00 . 1 . . . . A 339 ILE N . 31233 2 320 . 1 . 1 90 90 VAL H H 1 8.698 0.00 . 1 . . . . A 340 VAL H . 31233 2 321 . 1 . 1 90 90 VAL C C 13 175.666 0.00 . 1 . . . . A 340 VAL C . 31233 2 322 . 1 . 1 90 90 VAL CA C 13 61.725 0.08 . 1 . . . . A 340 VAL CA . 31233 2 323 . 1 . 1 90 90 VAL CB C 13 31.884 0.00 . 1 . . . . A 340 VAL CB . 31233 2 324 . 1 . 1 90 90 VAL N N 15 128.450 0.01 . 1 . . . . A 340 VAL N . 31233 2 325 . 1 . 1 91 91 THR H H 1 9.615 0.00 . 1 . . . . A 341 THR H . 31233 2 326 . 1 . 1 91 91 THR C C 13 172.957 0.00 . 1 . . . . A 341 THR C . 31233 2 327 . 1 . 1 91 91 THR CA C 13 59.979 0.03 . 1 . . . . A 341 THR CA . 31233 2 328 . 1 . 1 91 91 THR CB C 13 73.621 0.05 . 1 . . . . A 341 THR CB . 31233 2 329 . 1 . 1 91 91 THR N N 15 119.272 0.00 . 1 . . . . A 341 THR N . 31233 2 330 . 1 . 1 92 92 GLU H H 1 7.596 0.00 . 1 . . . . A 342 GLU H . 31233 2 331 . 1 . 1 92 92 GLU C C 13 174.551 0.00 . 1 . . . . A 342 GLU C . 31233 2 332 . 1 . 1 92 92 GLU CA C 13 56.657 0.01 . 1 . . . . A 342 GLU CA . 31233 2 333 . 1 . 1 92 92 GLU CB C 13 31.052 0.00 . 1 . . . . A 342 GLU CB . 31233 2 334 . 1 . 1 92 92 GLU N N 15 118.239 0.00 . 1 . . . . A 342 GLU N . 31233 2 335 . 1 . 1 93 93 TYR H H 1 8.734 0.00 . 1 . . . . A 343 TYR H . 31233 2 336 . 1 . 1 93 93 TYR C C 13 174.588 0.00 . 1 . . . . A 343 TYR C . 31233 2 337 . 1 . 1 93 93 TYR CA C 13 57.346 0.08 . 1 . . . . A 343 TYR CA . 31233 2 338 . 1 . 1 93 93 TYR CB C 13 39.600 0.00 . 1 . . . . A 343 TYR CB . 31233 2 339 . 1 . 1 93 93 TYR N N 15 125.040 0.00 . 1 . . . . A 343 TYR N . 31233 2 340 . 1 . 1 94 94 MET H H 1 8.197 0.00 . 1 . . . . A 344 MET H . 31233 2 341 . 1 . 1 94 94 MET C C 13 176.578 0.00 . 1 . . . . A 344 MET C . 31233 2 342 . 1 . 1 94 94 MET CA C 13 52.613 0.03 . 1 . . . . A 344 MET CA . 31233 2 343 . 1 . 1 94 94 MET CB C 13 29.691 0.08 . 1 . . . . A 344 MET CB . 31233 2 344 . 1 . 1 94 94 MET N N 15 129.167 0.01 . 1 . . . . A 344 MET N . 31233 2 345 . 1 . 1 95 95 SER H H 1 8.460 0.00 . 1 . . . . A 345 SER H . 31233 2 346 . 1 . 1 95 95 SER C C 13 175.951 0.00 . 1 . . . . A 345 SER C . 31233 2 347 . 1 . 1 95 95 SER CA C 13 61.545 0.02 . 1 . . . . A 345 SER CA . 31233 2 348 . 1 . 1 95 95 SER CB C 13 63.633 0.00 . 1 . . . . A 345 SER CB . 31233 2 349 . 1 . 1 95 95 SER N N 15 118.107 0.03 . 1 . . . . A 345 SER N . 31233 2 350 . 1 . 1 96 96 LYS H H 1 8.444 0.00 . 1 . . . . A 346 LYS H . 31233 2 351 . 1 . 1 96 96 LYS C C 13 176.984 0.00 . 1 . . . . A 346 LYS C . 31233 2 352 . 1 . 1 96 96 LYS CA C 13 55.314 0.03 . 1 . . . . A 346 LYS CA . 31233 2 353 . 1 . 1 96 96 LYS CB C 13 31.209 0.00 . 1 . . . . A 346 LYS CB . 31233 2 354 . 1 . 1 96 96 LYS N N 15 119.801 0.00 . 1 . . . . A 346 LYS N . 31233 2 355 . 1 . 1 97 97 GLY H H 1 7.209 0.00 . 1 . . . . A 347 GLY H . 31233 2 356 . 1 . 1 97 97 GLY C C 13 172.503 0.00 . 1 . . . . A 347 GLY C . 31233 2 357 . 1 . 1 97 97 GLY CA C 13 45.399 0.04 . 1 . . . . A 347 GLY CA . 31233 2 358 . 1 . 1 97 97 GLY N N 15 105.823 0.00 . 1 . . . . A 347 GLY N . 31233 2 359 . 1 . 1 98 98 SER H H 1 8.821 0.00 . 1 . . . . A 348 SER H . 31233 2 360 . 1 . 1 98 98 SER C C 13 176.301 0.00 . 1 . . . . A 348 SER C . 31233 2 361 . 1 . 1 98 98 SER CA C 13 57.952 0.01 . 1 . . . . A 348 SER CA . 31233 2 362 . 1 . 1 98 98 SER CB C 13 65.226 0.03 . 1 . . . . A 348 SER CB . 31233 2 363 . 1 . 1 98 98 SER N N 15 114.785 0.01 . 1 . . . . A 348 SER N . 31233 2 364 . 1 . 1 99 99 LEU H H 1 9.501 0.00 . 1 . . . . A 349 LEU H . 31233 2 365 . 1 . 1 99 99 LEU C C 13 177.434 0.00 . 1 . . . . A 349 LEU C . 31233 2 366 . 1 . 1 99 99 LEU CA C 13 57.647 0.07 . 1 . . . . A 349 LEU CA . 31233 2 367 . 1 . 1 99 99 LEU N N 15 125.879 0.00 . 1 . . . . A 349 LEU N . 31233 2 368 . 1 . 1 100 100 LEU H H 1 6.831 0.00 . 1 . . . . A 350 LEU H . 31233 2 369 . 1 . 1 100 100 LEU C C 13 176.831 0.00 . 1 . . . . A 350 LEU C . 31233 2 370 . 1 . 1 100 100 LEU CA C 13 58.456 0.04 . 1 . . . . A 350 LEU CA . 31233 2 371 . 1 . 1 100 100 LEU CB C 13 41.151 0.08 . 1 . . . . A 350 LEU CB . 31233 2 372 . 1 . 1 100 100 LEU N N 15 116.840 0.00 . 1 . . . . A 350 LEU N . 31233 2 373 . 1 . 1 101 101 ASP H H 1 7.206 0.00 . 1 . . . . A 351 ASP H . 31233 2 374 . 1 . 1 101 101 ASP C C 13 178.916 0.00 . 1 . . . . A 351 ASP C . 31233 2 375 . 1 . 1 101 101 ASP CA C 13 57.508 0.01 . 1 . . . . A 351 ASP CA . 31233 2 376 . 1 . 1 101 101 ASP CB C 13 40.441 0.00 . 1 . . . . A 351 ASP CB . 31233 2 377 . 1 . 1 101 101 ASP N N 15 115.483 0.00 . 1 . . . . A 351 ASP N . 31233 2 378 . 1 . 1 102 102 PHE H H 1 8.633 0.00 . 1 . . . . A 352 PHE H . 31233 2 379 . 1 . 1 102 102 PHE C C 13 178.670 0.00 . 1 . . . . A 352 PHE C . 31233 2 380 . 1 . 1 102 102 PHE CA C 13 61.278 0.02 . 1 . . . . A 352 PHE CA . 31233 2 381 . 1 . 1 102 102 PHE CB C 13 40.097 0.00 . 1 . . . . A 352 PHE CB . 31233 2 382 . 1 . 1 102 102 PHE N N 15 122.935 0.00 . 1 . . . . A 352 PHE N . 31233 2 383 . 1 . 1 103 103 LEU H H 1 8.527 0.00 . 1 . . . . A 353 LEU H . 31233 2 384 . 1 . 1 103 103 LEU C C 13 176.506 0.00 . 1 . . . . A 353 LEU C . 31233 2 385 . 1 . 1 103 103 LEU CA C 13 57.662 0.00 . 1 . . . . A 353 LEU CA . 31233 2 386 . 1 . 1 103 103 LEU CB C 13 42.149 0.00 . 1 . . . . A 353 LEU CB . 31233 2 387 . 1 . 1 103 103 LEU N N 15 117.178 0.02 . 1 . . . . A 353 LEU N . 31233 2 388 . 1 . 1 104 104 LYS H H 1 7.129 0.00 . 1 . . . . A 354 LYS H . 31233 2 389 . 1 . 1 104 104 LYS C C 13 177.872 0.00 . 1 . . . . A 354 LYS C . 31233 2 390 . 1 . 1 104 104 LYS CA C 13 57.522 0.02 . 1 . . . . A 354 LYS CA . 31233 2 391 . 1 . 1 104 104 LYS CB C 13 33.471 0.01 . 1 . . . . A 354 LYS CB . 31233 2 392 . 1 . 1 104 104 LYS N N 15 112.576 0.00 . 1 . . . . A 354 LYS N . 31233 2 393 . 1 . 1 105 105 GLY H H 1 7.377 0.00 . 1 . . . . A 355 GLY H . 31233 2 394 . 1 . 1 105 105 GLY C C 13 174.806 0.00 . 1 . . . . A 355 GLY C . 31233 2 395 . 1 . 1 105 105 GLY CA C 13 44.752 0.01 . 1 . . . . A 355 GLY CA . 31233 2 396 . 1 . 1 105 105 GLY N N 15 106.422 0.00 . 1 . . . . A 355 GLY N . 31233 2 397 . 1 . 1 106 106 GLU H H 1 8.709 0.00 . 1 . . . . A 356 GLU H . 31233 2 398 . 1 . 1 106 106 GLU C C 13 178.042 0.00 . 1 . . . . A 356 GLU C . 31233 2 399 . 1 . 1 106 106 GLU CA C 13 59.643 0.03 . 1 . . . . A 356 GLU CA . 31233 2 400 . 1 . 1 106 106 GLU CB C 13 29.420 0.00 . 1 . . . . A 356 GLU CB . 31233 2 401 . 1 . 1 106 106 GLU N N 15 119.200 0.00 . 1 . . . . A 356 GLU N . 31233 2 402 . 1 . 1 107 107 THR H H 1 7.837 0.01 . 1 . . . . A 357 THR H . 31233 2 403 . 1 . 1 107 107 THR C C 13 176.859 0.00 . 1 . . . . A 357 THR C . 31233 2 404 . 1 . 1 107 107 THR CA C 13 64.374 0.01 . 1 . . . . A 357 THR CA . 31233 2 405 . 1 . 1 107 107 THR CB C 13 68.430 0.02 . 1 . . . . A 357 THR CB . 31233 2 406 . 1 . 1 107 107 THR N N 15 109.606 0.00 . 1 . . . . A 357 THR N . 31233 2 407 . 1 . 1 108 108 GLY H H 1 7.445 0.00 . 1 . . . . A 358 GLY H . 31233 2 408 . 1 . 1 108 108 GLY C C 13 176.173 0.00 . 1 . . . . A 358 GLY C . 31233 2 409 . 1 . 1 108 108 GLY CA C 13 46.553 0.02 . 1 . . . . A 358 GLY CA . 31233 2 410 . 1 . 1 108 108 GLY N N 15 108.849 0.00 . 1 . . . . A 358 GLY N . 31233 2 411 . 1 . 1 109 109 LYS H H 1 7.447 0.00 . 1 . . . . A 359 LYS H . 31233 2 412 . 1 . 1 109 109 LYS C C 13 177.671 0.00 . 1 . . . . A 359 LYS C . 31233 2 413 . 1 . 1 109 109 LYS CA C 13 59.227 0.03 . 1 . . . . A 359 LYS CA . 31233 2 414 . 1 . 1 109 109 LYS CB C 13 31.912 0.02 . 1 . . . . A 359 LYS CB . 31233 2 415 . 1 . 1 109 109 LYS N N 15 119.077 0.00 . 1 . . . . A 359 LYS N . 31233 2 416 . 1 . 1 110 110 TYR H H 1 7.400 0.00 . 1 . . . . A 360 TYR H . 31233 2 417 . 1 . 1 110 110 TYR C C 13 176.175 0.00 . 1 . . . . A 360 TYR C . 31233 2 418 . 1 . 1 110 110 TYR CA C 13 58.044 0.03 . 1 . . . . A 360 TYR CA . 31233 2 419 . 1 . 1 110 110 TYR CB C 13 38.290 0.01 . 1 . . . . A 360 TYR CB . 31233 2 420 . 1 . 1 110 110 TYR N N 15 115.226 0.00 . 1 . . . . A 360 TYR N . 31233 2 421 . 1 . 1 111 111 LEU H H 1 7.188 0.00 . 1 . . . . A 361 LEU H . 31233 2 422 . 1 . 1 111 111 LEU C C 13 176.899 0.00 . 1 . . . . A 361 LEU C . 31233 2 423 . 1 . 1 111 111 LEU CA C 13 55.928 0.02 . 1 . . . . A 361 LEU CA . 31233 2 424 . 1 . 1 111 111 LEU CB C 13 42.538 0.00 . 1 . . . . A 361 LEU CB . 31233 2 425 . 1 . 1 111 111 LEU N N 15 119.305 0.00 . 1 . . . . A 361 LEU N . 31233 2 426 . 1 . 1 112 112 ARG H H 1 8.682 0.00 . 1 . . . . A 362 ARG H . 31233 2 427 . 1 . 1 112 112 ARG CA C 13 53.609 0.01 . 1 . . . . A 362 ARG CA . 31233 2 428 . 1 . 1 112 112 ARG CB C 13 32.812 0.00 . 1 . . . . A 362 ARG CB . 31233 2 429 . 1 . 1 112 112 ARG N N 15 121.114 0.00 . 1 . . . . A 362 ARG N . 31233 2 430 . 1 . 1 114 114 PRO C C 13 179.751 0.00 . 1 . . . . A 364 PRO C . 31233 2 431 . 1 . 1 114 114 PRO CA C 13 67.006 0.02 . 1 . . . . A 364 PRO CA . 31233 2 432 . 1 . 1 114 114 PRO CB C 13 30.324 0.00 . 1 . . . . A 364 PRO CB . 31233 2 433 . 1 . 1 115 115 GLN H H 1 7.291 0.00 . 1 . . . . A 365 GLN H . 31233 2 434 . 1 . 1 115 115 GLN CA C 13 60.087 0.02 . 1 . . . . A 365 GLN CA . 31233 2 435 . 1 . 1 115 115 GLN CB C 13 29.287 0.00 . 1 . . . . A 365 GLN CB . 31233 2 436 . 1 . 1 115 115 GLN N N 15 114.868 0.00 . 1 . . . . A 365 GLN N . 31233 2 437 . 1 . 1 117 117 VAL H H 1 8.932 0.00 . 1 . . . . A 367 VAL H . 31233 2 438 . 1 . 1 117 117 VAL C C 13 177.003 0.00 . 1 . . . . A 367 VAL C . 31233 2 439 . 1 . 1 117 117 VAL CA C 13 67.162 0.02 . 1 . . . . A 367 VAL CA . 31233 2 440 . 1 . 1 117 117 VAL N N 15 118.614 0.00 . 1 . . . . A 367 VAL N . 31233 2 441 . 1 . 1 118 118 ASP H H 1 7.638 0.00 . 1 . . . . A 368 ASP H . 31233 2 442 . 1 . 1 118 118 ASP C C 13 179.180 0.00 . 1 . . . . A 368 ASP C . 31233 2 443 . 1 . 1 118 118 ASP CA C 13 58.278 0.01 . 1 . . . . A 368 ASP CA . 31233 2 444 . 1 . 1 118 118 ASP CB C 13 42.137 0.00 . 1 . . . . A 368 ASP CB . 31233 2 445 . 1 . 1 118 118 ASP N N 15 120.502 0.00 . 1 . . . . A 368 ASP N . 31233 2 446 . 1 . 1 120 120 ALA H H 1 7.791 0.00 . 1 . . . . A 370 ALA H . 31233 2 447 . 1 . 1 120 120 ALA C C 13 178.980 0.00 . 1 . . . . A 370 ALA C . 31233 2 448 . 1 . 1 120 120 ALA N N 15 113.952 0.00 . 1 . . . . A 370 ALA N . 31233 2 449 . 1 . 1 121 121 ALA H H 1 9.093 0.00 . 1 . . . . A 371 ALA H . 31233 2 450 . 1 . 1 121 121 ALA CA C 13 55.873 0.03 . 1 . . . . A 371 ALA CA . 31233 2 451 . 1 . 1 121 121 ALA CB C 13 17.901 0.00 . 1 . . . . A 371 ALA CB . 31233 2 452 . 1 . 1 121 121 ALA N N 15 121.513 0.00 . 1 . . . . A 371 ALA N . 31233 2 453 . 1 . 1 122 122 GLN H H 1 8.392 0.00 . 1 . . . . A 372 GLN H . 31233 2 454 . 1 . 1 122 122 GLN N N 15 119.700 0.00 . 1 . . . . A 372 GLN N . 31233 2 455 . 1 . 1 123 123 ILE C C 13 177.915 0.00 . 1 . . . . A 373 ILE C . 31233 2 456 . 1 . 1 124 124 ALA H H 1 8.959 0.00 . 1 . . . . A 374 ALA H . 31233 2 457 . 1 . 1 124 124 ALA C C 13 177.984 0.00 . 1 . . . . A 374 ALA C . 31233 2 458 . 1 . 1 124 124 ALA CA C 13 55.501 0.09 . 1 . . . . A 374 ALA CA . 31233 2 459 . 1 . 1 124 124 ALA N N 15 120.567 0.00 . 1 . . . . A 374 ALA N . 31233 2 460 . 1 . 1 125 125 SER H H 1 8.062 0.00 . 1 . . . . A 375 SER H . 31233 2 461 . 1 . 1 125 125 SER C C 13 178.270 0.00 . 1 . . . . A 375 SER C . 31233 2 462 . 1 . 1 125 125 SER CA C 13 61.010 0.02 . 1 . . . . A 375 SER CA . 31233 2 463 . 1 . 1 125 125 SER CB C 13 63.214 0.00 . 1 . . . . A 375 SER CB . 31233 2 464 . 1 . 1 125 125 SER N N 15 112.654 0.00 . 1 . . . . A 375 SER N . 31233 2 465 . 1 . 1 126 126 GLY H H 1 7.887 0.00 . 1 . . . . A 376 GLY H . 31233 2 466 . 1 . 1 126 126 GLY CA C 13 47.868 0.02 . 1 . . . . A 376 GLY CA . 31233 2 467 . 1 . 1 126 126 GLY N N 15 107.960 0.00 . 1 . . . . A 376 GLY N . 31233 2 468 . 1 . 1 127 127 MET H H 1 8.893 0.00 . 1 . . . . A 377 MET H . 31233 2 469 . 1 . 1 128 128 ALA H H 1 8.897 0.01 . 1 . . . . A 378 ALA H . 31233 2 470 . 1 . 1 128 128 ALA C C 13 180.612 0.00 . 1 . . . . A 378 ALA C . 31233 2 471 . 1 . 1 128 128 ALA CA C 13 55.035 0.07 . 1 . . . . A 378 ALA CA . 31233 2 472 . 1 . 1 128 128 ALA CB C 13 16.616 0.00 . 1 . . . . A 378 ALA CB . 31233 2 473 . 1 . 1 128 128 ALA N N 15 124.576 0.01 . 1 . . . . A 378 ALA N . 31233 2 474 . 1 . 1 129 129 TYR H H 1 7.306 0.00 . 1 . . . . A 379 TYR H . 31233 2 475 . 1 . 1 129 129 TYR CA C 13 61.904 0.05 . 1 . . . . A 379 TYR CA . 31233 2 476 . 1 . 1 129 129 TYR CB C 13 36.981 0.00 . 1 . . . . A 379 TYR CB . 31233 2 477 . 1 . 1 129 129 TYR N N 15 122.455 0.04 . 1 . . . . A 379 TYR N . 31233 2 478 . 1 . 1 130 130 VAL H H 1 7.629 0.00 . 1 . . . . A 380 VAL H . 31233 2 479 . 1 . 1 130 130 VAL N N 15 118.309 0.00 . 1 . . . . A 380 VAL N . 31233 2 480 . 1 . 1 131 131 GLU H H 1 8.056 0.00 . 1 . . . . A 381 GLU H . 31233 2 481 . 1 . 1 131 131 GLU C C 13 180.246 0.00 . 1 . . . . A 381 GLU C . 31233 2 482 . 1 . 1 131 131 GLU N N 15 112.400 0.00 . 1 . . . . A 381 GLU N . 31233 2 483 . 1 . 1 132 132 ARG H H 1 8.114 0.00 . 1 . . . . A 382 ARG H . 31233 2 484 . 1 . 1 132 132 ARG C C 13 177.663 0.00 . 1 . . . . A 382 ARG C . 31233 2 485 . 1 . 1 132 132 ARG CA C 13 59.196 0.00 . 1 . . . . A 382 ARG CA . 31233 2 486 . 1 . 1 132 132 ARG N N 15 121.526 0.00 . 1 . . . . A 382 ARG N . 31233 2 487 . 1 . 1 133 133 MET H H 1 7.758 0.00 . 1 . . . . A 383 MET H . 31233 2 488 . 1 . 1 133 133 MET C C 13 175.870 0.00 . 1 . . . . A 383 MET C . 31233 2 489 . 1 . 1 133 133 MET CA C 13 54.204 0.05 . 1 . . . . A 383 MET CA . 31233 2 490 . 1 . 1 133 133 MET CB C 13 30.515 0.00 . 1 . . . . A 383 MET CB . 31233 2 491 . 1 . 1 133 133 MET N N 15 116.722 0.00 . 1 . . . . A 383 MET N . 31233 2 492 . 1 . 1 134 134 ASN H H 1 8.015 0.00 . 1 . . . . A 384 ASN H . 31233 2 493 . 1 . 1 134 134 ASN CA C 13 55.279 0.06 . 1 . . . . A 384 ASN CA . 31233 2 494 . 1 . 1 134 134 ASN CB C 13 37.331 0.00 . 1 . . . . A 384 ASN CB . 31233 2 495 . 1 . 1 134 134 ASN N N 15 113.518 0.00 . 1 . . . . A 384 ASN N . 31233 2 496 . 1 . 1 140 140 LEU C C 13 173.504 0.00 . 1 . . . . A 390 LEU C . 31233 2 497 . 1 . 1 140 140 LEU CA C 13 56.529 0.00 . 1 . . . . A 390 LEU CA . 31233 2 498 . 1 . 1 141 141 ARG H H 1 6.709 0.00 . 1 . . . . A 391 ARG H . 31233 2 499 . 1 . 1 141 141 ARG C C 13 176.495 0.00 . 1 . . . . A 391 ARG C . 31233 2 500 . 1 . 1 141 141 ARG CA C 13 54.850 0.04 . 1 . . . . A 391 ARG CA . 31233 2 501 . 1 . 1 141 141 ARG N N 15 115.777 0.00 . 1 . . . . A 391 ARG N . 31233 2 502 . 1 . 1 142 142 ALA H H 1 10.386 0.00 . 1 . . . . A 392 ALA H . 31233 2 503 . 1 . 1 142 142 ALA C C 13 178.863 0.00 . 1 . . . . A 392 ALA C . 31233 2 504 . 1 . 1 142 142 ALA CA C 13 56.688 0.04 . 1 . . . . A 392 ALA CA . 31233 2 505 . 1 . 1 142 142 ALA CB C 13 16.035 0.00 . 1 . . . . A 392 ALA CB . 31233 2 506 . 1 . 1 142 142 ALA N N 15 126.846 0.00 . 1 . . . . A 392 ALA N . 31233 2 507 . 1 . 1 143 143 ALA H H 1 9.625 0.00 . 1 . . . . A 393 ALA H . 31233 2 508 . 1 . 1 143 143 ALA CA C 13 54.519 0.03 . 1 . . . . A 393 ALA CA . 31233 2 509 . 1 . 1 143 143 ALA CB C 13 18.462 0.00 . 1 . . . . A 393 ALA CB . 31233 2 510 . 1 . 1 143 143 ALA N N 15 118.484 0.00 . 1 . . . . A 393 ALA N . 31233 2 511 . 1 . 1 144 144 ASN H H 1 7.245 0.00 . 1 . . . . A 394 ASN H . 31233 2 512 . 1 . 1 145 145 ILE H H 1 8.025 0.00 . 1 . . . . A 395 ILE H . 31233 2 513 . 1 . 1 145 145 ILE N N 15 122.424 0.00 . 1 . . . . A 395 ILE N . 31233 2 514 . 1 . 1 146 146 LEU H H 1 8.894 0.00 . 1 . . . . A 396 LEU H . 31233 2 515 . 1 . 1 146 146 LEU C C 13 174.648 0.00 . 1 . . . . A 396 LEU C . 31233 2 516 . 1 . 1 146 146 LEU N N 15 126.345 0.00 . 1 . . . . A 396 LEU N . 31233 2 517 . 1 . 1 147 147 VAL H H 1 8.557 0.00 . 1 . . . . A 397 VAL H . 31233 2 518 . 1 . 1 147 147 VAL C C 13 175.285 0.00 . 1 . . . . A 397 VAL C . 31233 2 519 . 1 . 1 147 147 VAL CA C 13 60.595 0.08 . 1 . . . . A 397 VAL CA . 31233 2 520 . 1 . 1 147 147 VAL N N 15 120.272 0.00 . 1 . . . . A 397 VAL N . 31233 2 521 . 1 . 1 148 148 GLY H H 1 8.855 0.00 . 1 . . . . A 398 GLY H . 31233 2 522 . 1 . 1 148 148 GLY C C 13 173.381 0.00 . 1 . . . . A 398 GLY C . 31233 2 523 . 1 . 1 148 148 GLY CA C 13 43.417 0.04 . 1 . . . . A 398 GLY CA . 31233 2 524 . 1 . 1 148 148 GLY N N 15 114.794 0.00 . 1 . . . . A 398 GLY N . 31233 2 525 . 1 . 1 149 149 GLU H H 1 8.306 0.00 . 1 . . . . A 399 GLU H . 31233 2 526 . 1 . 1 149 149 GLU C C 13 177.889 0.00 . 1 . . . . A 399 GLU C . 31233 2 527 . 1 . 1 149 149 GLU CA C 13 57.102 0.03 . 1 . . . . A 399 GLU CA . 31233 2 528 . 1 . 1 149 149 GLU CB C 13 29.664 0.05 . 1 . . . . A 399 GLU CB . 31233 2 529 . 1 . 1 149 149 GLU N N 15 118.669 0.00 . 1 . . . . A 399 GLU N . 31233 2 530 . 1 . 1 150 150 ASN H H 1 9.209 0.00 . 1 . . . . A 400 ASN H . 31233 2 531 . 1 . 1 150 150 ASN C C 13 174.182 0.00 . 1 . . . . A 400 ASN C . 31233 2 532 . 1 . 1 150 150 ASN CA C 13 54.901 0.03 . 1 . . . . A 400 ASN CA . 31233 2 533 . 1 . 1 150 150 ASN CB C 13 37.516 0.03 . 1 . . . . A 400 ASN CB . 31233 2 534 . 1 . 1 150 150 ASN N N 15 116.996 0.04 . 1 . . . . A 400 ASN N . 31233 2 535 . 1 . 1 151 151 LEU H H 1 8.509 0.00 . 1 . . . . A 401 LEU H . 31233 2 536 . 1 . 1 151 151 LEU C C 13 175.550 0.00 . 1 . . . . A 401 LEU C . 31233 2 537 . 1 . 1 151 151 LEU CA C 13 56.288 0.03 . 1 . . . . A 401 LEU CA . 31233 2 538 . 1 . 1 151 151 LEU CB C 13 37.931 0.03 . 1 . . . . A 401 LEU CB . 31233 2 539 . 1 . 1 151 151 LEU N N 15 111.593 0.04 . 1 . . . . A 401 LEU N . 31233 2 540 . 1 . 1 152 152 VAL H H 1 6.777 0.01 . 1 . . . . A 402 VAL H . 31233 2 541 . 1 . 1 152 152 VAL C C 13 175.182 0.00 . 1 . . . . A 402 VAL C . 31233 2 542 . 1 . 1 152 152 VAL CA C 13 62.663 0.04 . 1 . . . . A 402 VAL CA . 31233 2 543 . 1 . 1 152 152 VAL CB C 13 32.193 0.03 . 1 . . . . A 402 VAL CB . 31233 2 544 . 1 . 1 152 152 VAL N N 15 118.561 0.00 . 1 . . . . A 402 VAL N . 31233 2 545 . 1 . 1 153 153 CYS H H 1 8.174 0.00 . 1 . . . . A 403 CYS H . 31233 2 546 . 1 . 1 153 153 CYS C C 13 172.634 0.00 . 1 . . . . A 403 CYS C . 31233 2 547 . 1 . 1 153 153 CYS CA C 13 57.680 0.03 . 1 . . . . A 403 CYS CA . 31233 2 548 . 1 . 1 153 153 CYS CB C 13 31.280 0.01 . 1 . . . . A 403 CYS CB . 31233 2 549 . 1 . 1 153 153 CYS N N 15 123.267 0.01 . 1 . . . . A 403 CYS N . 31233 2 550 . 1 . 1 154 154 LYS H H 1 8.599 0.00 . 1 . . . . A 404 LYS H . 31233 2 551 . 1 . 1 154 154 LYS C C 13 175.365 0.00 . 1 . . . . A 404 LYS C . 31233 2 552 . 1 . 1 154 154 LYS CA C 13 54.511 0.08 . 1 . . . . A 404 LYS CA . 31233 2 553 . 1 . 1 154 154 LYS CB C 13 38.572 0.00 . 1 . . . . A 404 LYS CB . 31233 2 554 . 1 . 1 154 154 LYS N N 15 113.904 0.00 . 1 . . . . A 404 LYS N . 31233 2 555 . 1 . 1 155 155 VAL H H 1 8.857 0.00 . 1 . . . . A 405 VAL H . 31233 2 556 . 1 . 1 155 155 VAL CA C 13 64.701 0.00 . 1 . . . . A 405 VAL CA . 31233 2 557 . 1 . 1 155 155 VAL N N 15 122.574 0.00 . 1 . . . . A 405 VAL N . 31233 2 558 . 1 . 1 181 181 TRP HE1 H 1 10.472 0.00 . 1 . . . . A 431 TRP HE1 . 31233 2 559 . 1 . 1 181 181 TRP NE1 N 15 132.485 0.00 . 1 . . . . A 431 TRP NE1 . 31233 2 560 . 1 . 1 184 184 PRO C C 13 176.933 0.00 . 1 . . . . A 434 PRO C . 31233 2 561 . 1 . 1 184 184 PRO CA C 13 65.701 0.03 . 1 . . . . A 434 PRO CA . 31233 2 562 . 1 . 1 185 185 GLU H H 1 9.102 0.00 . 1 . . . . A 435 GLU H . 31233 2 563 . 1 . 1 185 185 GLU C C 13 177.706 0.00 . 1 . . . . A 435 GLU C . 31233 2 564 . 1 . 1 185 185 GLU CA C 13 59.080 0.03 . 1 . . . . A 435 GLU CA . 31233 2 565 . 1 . 1 185 185 GLU CB C 13 25.914 0.00 . 1 . . . . A 435 GLU CB . 31233 2 566 . 1 . 1 185 185 GLU N N 15 114.617 0.00 . 1 . . . . A 435 GLU N . 31233 2 567 . 1 . 1 186 186 ALA H H 1 6.689 0.00 . 1 . . . . A 436 ALA H . 31233 2 568 . 1 . 1 186 186 ALA C C 13 177.560 0.00 . 1 . . . . A 436 ALA C . 31233 2 569 . 1 . 1 186 186 ALA CA C 13 54.408 0.12 . 1 . . . . A 436 ALA CA . 31233 2 570 . 1 . 1 186 186 ALA N N 15 126.364 0.00 . 1 . . . . A 436 ALA N . 31233 2 571 . 1 . 1 187 187 ALA H H 1 7.613 0.00 . 1 . . . . A 437 ALA H . 31233 2 572 . 1 . 1 187 187 ALA CA C 13 54.688 0.00 . 1 . . . . A 437 ALA CA . 31233 2 573 . 1 . 1 187 187 ALA CB C 13 19.287 0.00 . 1 . . . . A 437 ALA CB . 31233 2 574 . 1 . 1 187 187 ALA N N 15 119.657 0.04 . 1 . . . . A 437 ALA N . 31233 2 575 . 1 . 1 188 188 LEU H H 1 8.374 0.00 . 1 . . . . A 438 LEU H . 31233 2 576 . 1 . 1 188 188 LEU C C 13 178.747 0.00 . 1 . . . . A 438 LEU C . 31233 2 577 . 1 . 1 188 188 LEU N N 15 113.534 0.00 . 1 . . . . A 438 LEU N . 31233 2 578 . 1 . 1 189 189 TYR H H 1 6.286 0.01 . 1 . . . . A 439 TYR H . 31233 2 579 . 1 . 1 189 189 TYR C C 13 176.539 0.00 . 1 . . . . A 439 TYR C . 31233 2 580 . 1 . 1 189 189 TYR CA C 13 56.156 0.03 . 1 . . . . A 439 TYR CA . 31233 2 581 . 1 . 1 189 189 TYR N N 15 112.122 0.00 . 1 . . . . A 439 TYR N . 31233 2 582 . 1 . 1 190 190 GLY H H 1 7.388 0.01 . 1 . . . . A 440 GLY H . 31233 2 583 . 1 . 1 190 190 GLY C C 13 174.066 0.00 . 1 . . . . A 440 GLY C . 31233 2 584 . 1 . 1 190 190 GLY CA C 13 46.700 0.06 . 1 . . . . A 440 GLY CA . 31233 2 585 . 1 . 1 190 190 GLY N N 15 108.724 0.00 . 1 . . . . A 440 GLY N . 31233 2 586 . 1 . 1 191 191 ARG H H 1 7.264 0.00 . 1 . . . . A 441 ARG H . 31233 2 587 . 1 . 1 191 191 ARG C C 13 174.357 0.00 . 1 . . . . A 441 ARG C . 31233 2 588 . 1 . 1 191 191 ARG CA C 13 55.344 0.04 . 1 . . . . A 441 ARG CA . 31233 2 589 . 1 . 1 191 191 ARG CB C 13 29.088 0.00 . 1 . . . . A 441 ARG CB . 31233 2 590 . 1 . 1 191 191 ARG N N 15 121.655 0.00 . 1 . . . . A 441 ARG N . 31233 2 591 . 1 . 1 192 192 PHE H H 1 8.247 0.00 . 1 . . . . A 442 PHE H . 31233 2 592 . 1 . 1 192 192 PHE CA C 13 57.961 0.02 . 1 . . . . A 442 PHE CA . 31233 2 593 . 1 . 1 192 192 PHE CB C 13 39.725 0.00 . 1 . . . . A 442 PHE CB . 31233 2 594 . 1 . 1 192 192 PHE N N 15 125.147 0.00 . 1 . . . . A 442 PHE N . 31233 2 595 . 1 . 1 194 194 ILE H H 1 9.517 0.00 . 1 . . . . A 444 ILE H . 31233 2 596 . 1 . 1 194 194 ILE N N 15 122.900 0.00 . 1 . . . . A 444 ILE N . 31233 2 597 . 1 . 1 195 195 LYS C C 13 182.194 0.00 . 1 . . . . A 445 LYS C . 31233 2 598 . 1 . 1 196 196 SER H H 1 8.639 0.00 . 1 . . . . A 446 SER H . 31233 2 599 . 1 . 1 196 196 SER CA C 13 62.302 0.02 . 1 . . . . A 446 SER CA . 31233 2 600 . 1 . 1 196 196 SER N N 15 120.177 0.00 . 1 . . . . A 446 SER N . 31233 2 601 . 1 . 1 197 197 ASP H H 1 8.760 0.00 . 1 . . . . A 447 ASP H . 31233 2 602 . 1 . 1 197 197 ASP C C 13 179.402 0.00 . 1 . . . . A 447 ASP C . 31233 2 603 . 1 . 1 197 197 ASP N N 15 118.635 0.00 . 1 . . . . A 447 ASP N . 31233 2 604 . 1 . 1 198 198 VAL H H 1 8.298 0.00 . 1 . . . . A 448 VAL H . 31233 2 605 . 1 . 1 198 198 VAL C C 13 177.989 0.00 . 1 . . . . A 448 VAL C . 31233 2 606 . 1 . 1 198 198 VAL CA C 13 67.963 0.00 . 1 . . . . A 448 VAL CA . 31233 2 607 . 1 . 1 198 198 VAL N N 15 123.106 0.00 . 1 . . . . A 448 VAL N . 31233 2 608 . 1 . 1 199 199 TRP H H 1 7.483 0.00 . 1 . . . . A 449 TRP H . 31233 2 609 . 1 . 1 199 199 TRP HE1 H 1 10.547 0.00 . 1 . . . . A 449 TRP HE1 . 31233 2 610 . 1 . 1 199 199 TRP C C 13 179.723 0.00 . 1 . . . . A 449 TRP C . 31233 2 611 . 1 . 1 199 199 TRP CA C 13 62.022 0.00 . 1 . . . . A 449 TRP CA . 31233 2 612 . 1 . 1 199 199 TRP N N 15 120.982 0.00 . 1 . . . . A 449 TRP N . 31233 2 613 . 1 . 1 199 199 TRP NE1 N 15 131.742 0.00 . 1 . . . . A 449 TRP NE1 . 31233 2 614 . 1 . 1 200 200 SER H H 1 8.698 0.00 . 1 . . . . A 450 SER H . 31233 2 615 . 1 . 1 200 200 SER C C 13 176.647 0.00 . 1 . . . . A 450 SER C . 31233 2 616 . 1 . 1 200 200 SER N N 15 115.905 0.00 . 1 . . . . A 450 SER N . 31233 2 617 . 1 . 1 201 201 PHE H H 1 9.464 0.00 . 1 . . . . A 451 PHE H . 31233 2 618 . 1 . 1 201 201 PHE C C 13 176.914 0.00 . 1 . . . . A 451 PHE C . 31233 2 619 . 1 . 1 201 201 PHE CA C 13 62.139 0.01 . 1 . . . . A 451 PHE CA . 31233 2 620 . 1 . 1 201 201 PHE N N 15 123.419 0.00 . 1 . . . . A 451 PHE N . 31233 2 621 . 1 . 1 202 202 GLY H H 1 8.563 0.00 . 1 . . . . A 452 GLY H . 31233 2 622 . 1 . 1 202 202 GLY CA C 13 48.002 0.02 . 1 . . . . A 452 GLY CA . 31233 2 623 . 1 . 1 202 202 GLY N N 15 106.919 0.00 . 1 . . . . A 452 GLY N . 31233 2 624 . 1 . 1 206 206 THR C C 13 176.278 0.00 . 1 . . . . A 456 THR C . 31233 2 625 . 1 . 1 207 207 GLU H H 1 7.807 0.00 . 1 . . . . A 457 GLU H . 31233 2 626 . 1 . 1 207 207 GLU C C 13 178.715 0.00 . 1 . . . . A 457 GLU C . 31233 2 627 . 1 . 1 207 207 GLU CA C 13 61.258 0.07 . 1 . . . . A 457 GLU CA . 31233 2 628 . 1 . 1 207 207 GLU N N 15 124.530 0.00 . 1 . . . . A 457 GLU N . 31233 2 629 . 1 . 1 208 208 LEU H H 1 8.417 0.00 . 1 . . . . A 458 LEU H . 31233 2 630 . 1 . 1 208 208 LEU C C 13 177.973 0.00 . 1 . . . . A 458 LEU C . 31233 2 631 . 1 . 1 208 208 LEU CA C 13 58.912 0.06 . 1 . . . . A 458 LEU CA . 31233 2 632 . 1 . 1 208 208 LEU N N 15 116.276 0.00 . 1 . . . . A 458 LEU N . 31233 2 633 . 1 . 1 209 209 THR H H 1 7.646 0.00 . 1 . . . . A 459 THR H . 31233 2 634 . 1 . 1 209 209 THR C C 13 175.528 0.00 . 1 . . . . A 459 THR C . 31233 2 635 . 1 . 1 209 209 THR CA C 13 64.760 0.04 . 1 . . . . A 459 THR CA . 31233 2 636 . 1 . 1 209 209 THR CB C 13 70.155 0.00 . 1 . . . . A 459 THR CB . 31233 2 637 . 1 . 1 209 209 THR N N 15 103.349 0.00 . 1 . . . . A 459 THR N . 31233 2 638 . 1 . 1 210 210 THR H H 1 7.537 0.00 . 1 . . . . A 460 THR H . 31233 2 639 . 1 . 1 210 210 THR C C 13 174.252 0.00 . 1 . . . . A 460 THR C . 31233 2 640 . 1 . 1 210 210 THR CA C 13 61.898 0.09 . 1 . . . . A 460 THR CA . 31233 2 641 . 1 . 1 210 210 THR CB C 13 69.834 0.02 . 1 . . . . A 460 THR CB . 31233 2 642 . 1 . 1 210 210 THR N N 15 109.298 0.00 . 1 . . . . A 460 THR N . 31233 2 643 . 1 . 1 211 211 LYS H H 1 8.003 0.00 . 1 . . . . A 461 LYS H . 31233 2 644 . 1 . 1 211 211 LYS C C 13 175.231 0.00 . 1 . . . . A 461 LYS C . 31233 2 645 . 1 . 1 211 211 LYS CA C 13 58.622 0.05 . 1 . . . . A 461 LYS CA . 31233 2 646 . 1 . 1 211 211 LYS CB C 13 28.727 0.03 . 1 . . . . A 461 LYS CB . 31233 2 647 . 1 . 1 211 211 LYS N N 15 118.132 0.00 . 1 . . . . A 461 LYS N . 31233 2 648 . 1 . 1 212 212 GLY H H 1 9.319 0.00 . 1 . . . . A 462 GLY H . 31233 2 649 . 1 . 1 212 212 GLY C C 13 173.696 0.00 . 1 . . . . A 462 GLY C . 31233 2 650 . 1 . 1 212 212 GLY CA C 13 45.682 0.02 . 1 . . . . A 462 GLY CA . 31233 2 651 . 1 . 1 212 212 GLY N N 15 102.991 0.00 . 1 . . . . A 462 GLY N . 31233 2 652 . 1 . 1 213 213 ARG H H 1 7.560 0.00 . 1 . . . . A 463 ARG H . 31233 2 653 . 1 . 1 213 213 ARG C C 13 176.483 0.00 . 1 . . . . A 463 ARG C . 31233 2 654 . 1 . 1 213 213 ARG CA C 13 56.826 0.02 . 1 . . . . A 463 ARG CA . 31233 2 655 . 1 . 1 213 213 ARG CB C 13 29.368 0.01 . 1 . . . . A 463 ARG CB . 31233 2 656 . 1 . 1 213 213 ARG N N 15 122.534 0.00 . 1 . . . . A 463 ARG N . 31233 2 657 . 1 . 1 214 214 VAL H H 1 8.244 0.00 . 1 . . . . A 464 VAL H . 31233 2 658 . 1 . 1 214 214 VAL CA C 13 60.599 0.00 . 1 . . . . A 464 VAL CA . 31233 2 659 . 1 . 1 214 214 VAL CB C 13 32.192 0.00 . 1 . . . . A 464 VAL CB . 31233 2 660 . 1 . 1 214 214 VAL N N 15 127.301 0.01 . 1 . . . . A 464 VAL N . 31233 2 661 . 1 . 1 215 215 PRO C C 13 174.447 0.00 . 1 . . . . A 465 PRO C . 31233 2 662 . 1 . 1 215 215 PRO CA C 13 62.477 0.03 . 1 . . . . A 465 PRO CA . 31233 2 663 . 1 . 1 215 215 PRO CB C 13 32.540 0.00 . 1 . . . . A 465 PRO CB . 31233 2 664 . 1 . 1 216 216 TYR H H 1 7.535 0.00 . 1 . . . . A 466 TYR H . 31233 2 665 . 1 . 1 216 216 TYR CA C 13 57.706 0.02 . 1 . . . . A 466 TYR CA . 31233 2 666 . 1 . 1 216 216 TYR CB C 13 37.037 0.00 . 1 . . . . A 466 TYR CB . 31233 2 667 . 1 . 1 216 216 TYR N N 15 114.696 0.00 . 1 . . . . A 466 TYR N . 31233 2 668 . 1 . 1 217 217 PRO C C 13 178.760 0.00 . 1 . . . . A 467 PRO C . 31233 2 669 . 1 . 1 218 218 GLY H H 1 8.880 0.00 . 1 . . . . A 468 GLY H . 31233 2 670 . 1 . 1 218 218 GLY C C 13 173.839 0.00 . 1 . . . . A 468 GLY C . 31233 2 671 . 1 . 1 218 218 GLY CA C 13 45.449 0.02 . 1 . . . . A 468 GLY CA . 31233 2 672 . 1 . 1 218 218 GLY N N 15 111.236 0.00 . 1 . . . . A 468 GLY N . 31233 2 673 . 1 . 1 219 219 MET H H 1 8.016 0.01 . 1 . . . . A 469 MET H . 31233 2 674 . 1 . 1 219 219 MET C C 13 176.669 0.00 . 1 . . . . A 469 MET C . 31233 2 675 . 1 . 1 219 219 MET CA C 13 55.329 0.02 . 1 . . . . A 469 MET CA . 31233 2 676 . 1 . 1 219 219 MET CB C 13 35.296 0.01 . 1 . . . . A 469 MET CB . 31233 2 677 . 1 . 1 219 219 MET N N 15 119.620 0.02 . 1 . . . . A 469 MET N . 31233 2 678 . 1 . 1 220 220 VAL H H 1 8.643 0.00 . 1 . . . . A 470 VAL H . 31233 2 679 . 1 . 1 220 220 VAL C C 13 177.706 0.00 . 1 . . . . A 470 VAL C . 31233 2 680 . 1 . 1 220 220 VAL CA C 13 60.583 0.01 . 1 . . . . A 470 VAL CA . 31233 2 681 . 1 . 1 220 220 VAL CB C 13 32.393 0.00 . 1 . . . . A 470 VAL CB . 31233 2 682 . 1 . 1 220 220 VAL N N 15 118.177 0.02 . 1 . . . . A 470 VAL N . 31233 2 683 . 1 . 1 221 221 ASN H H 1 8.759 0.01 . 1 . . . . A 471 ASN H . 31233 2 684 . 1 . 1 221 221 ASN C C 13 177.491 0.00 . 1 . . . . A 471 ASN C . 31233 2 685 . 1 . 1 221 221 ASN CA C 13 57.203 0.06 . 1 . . . . A 471 ASN CA . 31233 2 686 . 1 . 1 221 221 ASN CB C 13 38.060 0.00 . 1 . . . . A 471 ASN CB . 31233 2 687 . 1 . 1 221 221 ASN N N 15 121.802 0.00 . 1 . . . . A 471 ASN N . 31233 2 688 . 1 . 1 222 222 ARG H H 1 8.598 0.00 . 1 . . . . A 472 ARG H . 31233 2 689 . 1 . 1 222 222 ARG C C 13 176.975 0.00 . 1 . . . . A 472 ARG C . 31233 2 690 . 1 . 1 222 222 ARG CA C 13 59.018 0.04 . 1 . . . . A 472 ARG CA . 31233 2 691 . 1 . 1 222 222 ARG CB C 13 29.476 0.00 . 1 . . . . A 472 ARG CB . 31233 2 692 . 1 . 1 222 222 ARG N N 15 115.988 0.00 . 1 . . . . A 472 ARG N . 31233 2 693 . 1 . 1 223 223 GLU H H 1 7.364 0.00 . 1 . . . . A 473 GLU H . 31233 2 694 . 1 . 1 223 223 GLU C C 13 177.432 0.00 . 1 . . . . A 473 GLU C . 31233 2 695 . 1 . 1 223 223 GLU CA C 13 57.477 0.06 . 1 . . . . A 473 GLU CA . 31233 2 696 . 1 . 1 223 223 GLU CB C 13 31.003 0.00 . 1 . . . . A 473 GLU CB . 31233 2 697 . 1 . 1 223 223 GLU N N 15 118.105 0.00 . 1 . . . . A 473 GLU N . 31233 2 698 . 1 . 1 224 224 VAL H H 1 7.348 0.00 . 1 . . . . A 474 VAL H . 31233 2 699 . 1 . 1 224 224 VAL C C 13 176.803 0.00 . 1 . . . . A 474 VAL C . 31233 2 700 . 1 . 1 224 224 VAL CA C 13 66.871 0.02 . 1 . . . . A 474 VAL CA . 31233 2 701 . 1 . 1 224 224 VAL CB C 13 31.303 0.00 . 1 . . . . A 474 VAL CB . 31233 2 702 . 1 . 1 224 224 VAL N N 15 118.557 0.00 . 1 . . . . A 474 VAL N . 31233 2 703 . 1 . 1 225 225 LEU H H 1 8.010 0.01 . 1 . . . . A 475 LEU H . 31233 2 704 . 1 . 1 225 225 LEU C C 13 178.574 0.00 . 1 . . . . A 475 LEU C . 31233 2 705 . 1 . 1 225 225 LEU CA C 13 58.537 0.09 . 1 . . . . A 475 LEU CA . 31233 2 706 . 1 . 1 225 225 LEU N N 15 117.741 0.00 . 1 . . . . A 475 LEU N . 31233 2 707 . 1 . 1 226 226 ASP H H 1 7.955 0.00 . 1 . . . . A 476 ASP H . 31233 2 708 . 1 . 1 226 226 ASP C C 13 178.783 0.00 . 1 . . . . A 476 ASP C . 31233 2 709 . 1 . 1 226 226 ASP CA C 13 57.640 0.02 . 1 . . . . A 476 ASP CA . 31233 2 710 . 1 . 1 226 226 ASP CB C 13 41.408 0.00 . 1 . . . . A 476 ASP CB . 31233 2 711 . 1 . 1 226 226 ASP N N 15 117.336 0.00 . 1 . . . . A 476 ASP N . 31233 2 712 . 1 . 1 227 227 GLN H H 1 7.885 0.00 . 1 . . . . A 477 GLN H . 31233 2 713 . 1 . 1 227 227 GLN C C 13 179.651 0.00 . 1 . . . . A 477 GLN C . 31233 2 714 . 1 . 1 227 227 GLN CA C 13 59.380 0.06 . 1 . . . . A 477 GLN CA . 31233 2 715 . 1 . 1 227 227 GLN CB C 13 26.541 0.00 . 1 . . . . A 477 GLN CB . 31233 2 716 . 1 . 1 227 227 GLN N N 15 115.903 0.00 . 1 . . . . A 477 GLN N . 31233 2 717 . 1 . 1 228 228 VAL H H 1 9.117 0.00 . 1 . . . . A 478 VAL H . 31233 2 718 . 1 . 1 228 228 VAL C C 13 181.720 0.00 . 1 . . . . A 478 VAL C . 31233 2 719 . 1 . 1 228 228 VAL CA C 13 65.884 0.04 . 1 . . . . A 478 VAL CA . 31233 2 720 . 1 . 1 228 228 VAL CB C 13 31.948 0.00 . 1 . . . . A 478 VAL CB . 31233 2 721 . 1 . 1 228 228 VAL N N 15 120.497 0.00 . 1 . . . . A 478 VAL N . 31233 2 722 . 1 . 1 229 229 GLU H H 1 8.597 0.00 . 1 . . . . A 479 GLU H . 31233 2 723 . 1 . 1 229 229 GLU C C 13 177.799 0.00 . 1 . . . . A 479 GLU C . 31233 2 724 . 1 . 1 229 229 GLU CA C 13 60.073 0.05 . 1 . . . . A 479 GLU CA . 31233 2 725 . 1 . 1 229 229 GLU N N 15 123.954 0.00 . 1 . . . . A 479 GLU N . 31233 2 726 . 1 . 1 230 230 ARG H H 1 7.327 0.00 . 1 . . . . A 480 ARG H . 31233 2 727 . 1 . 1 230 230 ARG C C 13 176.663 0.00 . 1 . . . . A 480 ARG C . 31233 2 728 . 1 . 1 230 230 ARG CA C 13 57.122 0.03 . 1 . . . . A 480 ARG CA . 31233 2 729 . 1 . 1 230 230 ARG CB C 13 30.245 0.00 . 1 . . . . A 480 ARG CB . 31233 2 730 . 1 . 1 230 230 ARG N N 15 116.103 0.00 . 1 . . . . A 480 ARG N . 31233 2 731 . 1 . 1 231 231 GLY H H 1 7.765 0.00 . 1 . . . . A 481 GLY H . 31233 2 732 . 1 . 1 231 231 GLY C C 13 174.230 0.00 . 1 . . . . A 481 GLY C . 31233 2 733 . 1 . 1 231 231 GLY CA C 13 45.229 0.04 . 1 . . . . A 481 GLY CA . 31233 2 734 . 1 . 1 231 231 GLY N N 15 105.942 0.00 . 1 . . . . A 481 GLY N . 31233 2 735 . 1 . 1 232 232 TYR H H 1 8.387 0.00 . 1 . . . . A 482 TYR H . 31233 2 736 . 1 . 1 232 232 TYR C C 13 175.766 0.00 . 1 . . . . A 482 TYR C . 31233 2 737 . 1 . 1 232 232 TYR CA C 13 61.000 0.03 . 1 . . . . A 482 TYR CA . 31233 2 738 . 1 . 1 232 232 TYR CB C 13 39.327 0.01 . 1 . . . . A 482 TYR CB . 31233 2 739 . 1 . 1 232 232 TYR N N 15 123.980 0.00 . 1 . . . . A 482 TYR N . 31233 2 740 . 1 . 1 233 233 ARG H H 1 6.979 0.00 . 1 . . . . A 483 ARG H . 31233 2 741 . 1 . 1 233 233 ARG C C 13 174.253 0.00 . 1 . . . . A 483 ARG C . 31233 2 742 . 1 . 1 233 233 ARG CA C 13 52.453 0.04 . 1 . . . . A 483 ARG CA . 31233 2 743 . 1 . 1 233 233 ARG CB C 13 33.055 0.00 . 1 . . . . A 483 ARG CB . 31233 2 744 . 1 . 1 233 233 ARG N N 15 125.840 0.00 . 1 . . . . A 483 ARG N . 31233 2 745 . 1 . 1 234 234 MET H H 1 7.761 0.00 . 1 . . . . A 484 MET H . 31233 2 746 . 1 . 1 234 234 MET CA C 13 55.864 0.00 . 1 . . . . A 484 MET CA . 31233 2 747 . 1 . 1 234 234 MET CB C 13 33.910 0.00 . 1 . . . . A 484 MET CB . 31233 2 748 . 1 . 1 234 234 MET N N 15 119.249 0.00 . 1 . . . . A 484 MET N . 31233 2 749 . 1 . 1 235 235 PRO C C 13 174.572 0.00 . 1 . . . . A 485 PRO C . 31233 2 750 . 1 . 1 235 235 PRO CA C 13 61.856 0.04 . 1 . . . . A 485 PRO CA . 31233 2 751 . 1 . 1 235 235 PRO CB C 13 32.634 0.00 . 1 . . . . A 485 PRO CB . 31233 2 752 . 1 . 1 236 236 CYS H H 1 8.004 0.00 . 1 . . . . A 486 CYS H . 31233 2 753 . 1 . 1 236 236 CYS CA C 13 58.349 0.02 . 1 . . . . A 486 CYS CA . 31233 2 754 . 1 . 1 236 236 CYS CB C 13 27.092 0.00 . 1 . . . . A 486 CYS CB . 31233 2 755 . 1 . 1 236 236 CYS N N 15 121.085 0.00 . 1 . . . . A 486 CYS N . 31233 2 756 . 1 . 1 238 238 PRO C C 13 177.789 0.00 . 1 . . . . A 488 PRO C . 31233 2 757 . 1 . 1 238 238 PRO CA C 13 64.811 0.05 . 1 . . . . A 488 PRO CA . 31233 2 758 . 1 . 1 238 238 PRO CB C 13 31.657 0.00 . 1 . . . . A 488 PRO CB . 31233 2 759 . 1 . 1 239 239 GLU H H 1 8.747 0.00 . 1 . . . . A 489 GLU H . 31233 2 760 . 1 . 1 239 239 GLU C C 13 174.378 0.00 . 1 . . . . A 489 GLU C . 31233 2 761 . 1 . 1 239 239 GLU CA C 13 58.705 0.10 . 1 . . . . A 489 GLU CA . 31233 2 762 . 1 . 1 239 239 GLU CB C 13 28.413 0.05 . 1 . . . . A 489 GLU CB . 31233 2 763 . 1 . 1 239 239 GLU N N 15 115.383 0.00 . 1 . . . . A 489 GLU N . 31233 2 764 . 1 . 1 240 240 CYS H H 1 7.947 0.00 . 1 . . . . A 490 CYS H . 31233 2 765 . 1 . 1 240 240 CYS CA C 13 56.194 0.03 . 1 . . . . A 490 CYS CA . 31233 2 766 . 1 . 1 240 240 CYS CB C 13 29.366 0.00 . 1 . . . . A 490 CYS CB . 31233 2 767 . 1 . 1 240 240 CYS N N 15 122.363 0.02 . 1 . . . . A 490 CYS N . 31233 2 768 . 1 . 1 241 241 PRO C C 13 178.389 0.00 . 1 . . . . A 491 PRO C . 31233 2 769 . 1 . 1 241 241 PRO CA C 13 63.748 0.02 . 1 . . . . A 491 PRO CA . 31233 2 770 . 1 . 1 241 241 PRO CB C 13 32.307 0.00 . 1 . . . . A 491 PRO CB . 31233 2 771 . 1 . 1 242 242 GLU H H 1 9.228 0.00 . 1 . . . . A 492 GLU H . 31233 2 772 . 1 . 1 242 242 GLU C C 13 178.588 0.00 . 1 . . . . A 492 GLU C . 31233 2 773 . 1 . 1 242 242 GLU CA C 13 60.638 0.01 . 1 . . . . A 492 GLU CA . 31233 2 774 . 1 . 1 242 242 GLU CB C 13 29.204 0.00 . 1 . . . . A 492 GLU CB . 31233 2 775 . 1 . 1 242 242 GLU N N 15 127.357 0.00 . 1 . . . . A 492 GLU N . 31233 2 776 . 1 . 1 243 243 SER H H 1 9.008 0.00 . 1 . . . . A 493 SER H . 31233 2 777 . 1 . 1 243 243 SER C C 13 177.615 0.00 . 1 . . . . A 493 SER C . 31233 2 778 . 1 . 1 243 243 SER CA C 13 60.950 0.06 . 1 . . . . A 493 SER CA . 31233 2 779 . 1 . 1 243 243 SER CB C 13 62.227 0.00 . 1 . . . . A 493 SER CB . 31233 2 780 . 1 . 1 243 243 SER N N 15 112.681 0.00 . 1 . . . . A 493 SER N . 31233 2 781 . 1 . 1 244 244 LEU H H 1 7.515 0.00 . 1 . . . . A 494 LEU H . 31233 2 782 . 1 . 1 244 244 LEU C C 13 178.341 0.00 . 1 . . . . A 494 LEU C . 31233 2 783 . 1 . 1 244 244 LEU CA C 13 56.720 0.01 . 1 . . . . A 494 LEU CA . 31233 2 784 . 1 . 1 244 244 LEU CB C 13 41.688 0.00 . 1 . . . . A 494 LEU CB . 31233 2 785 . 1 . 1 244 244 LEU N N 15 123.205 0.00 . 1 . . . . A 494 LEU N . 31233 2 786 . 1 . 1 245 245 HIS H H 1 7.622 0.01 . 1 . . . . A 495 HIS H . 31233 2 787 . 1 . 1 245 245 HIS C C 13 177.743 0.00 . 1 . . . . A 495 HIS C . 31233 2 788 . 1 . 1 245 245 HIS CA C 13 59.846 0.04 . 1 . . . . A 495 HIS CA . 31233 2 789 . 1 . 1 245 245 HIS CB C 13 31.361 0.00 . 1 . . . . A 495 HIS CB . 31233 2 790 . 1 . 1 245 245 HIS N N 15 121.313 0.04 . 1 . . . . A 495 HIS N . 31233 2 791 . 1 . 1 246 246 ASP H H 1 9.179 0.00 . 1 . . . . A 496 ASP H . 31233 2 792 . 1 . 1 246 246 ASP C C 13 178.294 0.00 . 1 . . . . A 496 ASP C . 31233 2 793 . 1 . 1 246 246 ASP CA C 13 58.026 0.01 . 1 . . . . A 496 ASP CA . 31233 2 794 . 1 . 1 246 246 ASP CB C 13 40.647 0.01 . 1 . . . . A 496 ASP CB . 31233 2 795 . 1 . 1 246 246 ASP N N 15 120.600 0.04 . 1 . . . . A 496 ASP N . 31233 2 796 . 1 . 1 247 247 LEU H H 1 6.794 0.00 . 1 . . . . A 497 LEU H . 31233 2 797 . 1 . 1 247 247 LEU CA C 13 58.063 0.01 . 1 . . . . A 497 LEU CA . 31233 2 798 . 1 . 1 247 247 LEU CB C 13 41.523 0.00 . 1 . . . . A 497 LEU CB . 31233 2 799 . 1 . 1 247 247 LEU N N 15 119.757 0.02 . 1 . . . . A 497 LEU N . 31233 2 800 . 1 . 1 248 248 MET H H 1 8.585 0.00 . 1 . . . . A 498 MET H . 31233 2 801 . 1 . 1 248 248 MET C C 13 175.949 0.00 . 1 . . . . A 498 MET C . 31233 2 802 . 1 . 1 248 248 MET CA C 13 60.568 0.00 . 1 . . . . A 498 MET CA . 31233 2 803 . 1 . 1 249 249 CYS H H 1 7.610 0.00 . 1 . . . . A 499 CYS H . 31233 2 804 . 1 . 1 249 249 CYS C C 13 178.328 0.00 . 1 . . . . A 499 CYS C . 31233 2 805 . 1 . 1 249 249 CYS CA C 13 63.801 0.01 . 1 . . . . A 499 CYS CA . 31233 2 806 . 1 . 1 249 249 CYS CB C 13 26.926 0.00 . 1 . . . . A 499 CYS CB . 31233 2 807 . 1 . 1 249 249 CYS N N 15 111.570 0.00 . 1 . . . . A 499 CYS N . 31233 2 808 . 1 . 1 250 250 GLN H H 1 7.583 0.00 . 1 . . . . A 500 GLN H . 31233 2 809 . 1 . 1 250 250 GLN CA C 13 59.380 0.03 . 1 . . . . A 500 GLN CA . 31233 2 810 . 1 . 1 250 250 GLN CB C 13 27.904 0.00 . 1 . . . . A 500 GLN CB . 31233 2 811 . 1 . 1 250 250 GLN N N 15 120.773 0.01 . 1 . . . . A 500 GLN N . 31233 2 812 . 1 . 1 252 252 TRP C C 13 176.246 0.00 . 1 . . . . A 502 TRP C . 31233 2 813 . 1 . 1 252 252 TRP CA C 13 52.532 0.00 . 1 . . . . A 502 TRP CA . 31233 2 814 . 1 . 1 253 253 ARG H H 1 6.913 0.00 . 1 . . . . A 503 ARG H . 31233 2 815 . 1 . 1 253 253 ARG C C 13 177.620 0.00 . 1 . . . . A 503 ARG C . 31233 2 816 . 1 . 1 253 253 ARG CA C 13 57.211 0.06 . 1 . . . . A 503 ARG CA . 31233 2 817 . 1 . 1 253 253 ARG CB C 13 29.196 0.08 . 1 . . . . A 503 ARG CB . 31233 2 818 . 1 . 1 253 253 ARG N N 15 119.351 0.00 . 1 . . . . A 503 ARG N . 31233 2 819 . 1 . 1 254 254 LYS H H 1 9.100 0.00 . 1 . . . . A 504 LYS H . 31233 2 820 . 1 . 1 254 254 LYS C C 13 177.098 0.00 . 1 . . . . A 504 LYS C . 31233 2 821 . 1 . 1 254 254 LYS CA C 13 60.763 0.02 . 1 . . . . A 504 LYS CA . 31233 2 822 . 1 . 1 254 254 LYS CB C 13 32.752 0.03 . 1 . . . . A 504 LYS CB . 31233 2 823 . 1 . 1 254 254 LYS N N 15 124.131 0.00 . 1 . . . . A 504 LYS N . 31233 2 824 . 1 . 1 255 255 GLU H H 1 8.535 0.00 . 1 . . . . A 505 GLU H . 31233 2 825 . 1 . 1 255 255 GLU CA C 13 53.207 0.03 . 1 . . . . A 505 GLU CA . 31233 2 826 . 1 . 1 255 255 GLU CB C 13 28.417 0.00 . 1 . . . . A 505 GLU CB . 31233 2 827 . 1 . 1 255 255 GLU N N 15 118.770 0.03 . 1 . . . . A 505 GLU N . 31233 2 828 . 1 . 1 256 256 PRO C C 13 178.512 0.00 . 1 . . . . A 506 PRO C . 31233 2 829 . 1 . 1 256 256 PRO CA C 13 65.897 0.00 . 1 . . . . A 506 PRO CA . 31233 2 830 . 1 . 1 256 256 PRO CB C 13 32.264 0.00 . 1 . . . . A 506 PRO CB . 31233 2 831 . 1 . 1 257 257 GLU H H 1 9.030 0.00 . 1 . . . . A 507 GLU H . 31233 2 832 . 1 . 1 257 257 GLU C C 13 177.486 0.00 . 1 . . . . A 507 GLU C . 31233 2 833 . 1 . 1 257 257 GLU CA C 13 58.734 0.03 . 1 . . . . A 507 GLU CA . 31233 2 834 . 1 . 1 257 257 GLU CB C 13 28.736 0.00 . 1 . . . . A 507 GLU CB . 31233 2 835 . 1 . 1 257 257 GLU N N 15 111.673 0.00 . 1 . . . . A 507 GLU N . 31233 2 836 . 1 . 1 258 258 GLU H H 1 7.736 0.00 . 1 . . . . A 508 GLU H . 31233 2 837 . 1 . 1 258 258 GLU C C 13 176.989 0.00 . 1 . . . . A 508 GLU C . 31233 2 838 . 1 . 1 258 258 GLU CA C 13 56.325 0.06 . 1 . . . . A 508 GLU CA . 31233 2 839 . 1 . 1 258 258 GLU CB C 13 30.199 0.00 . 1 . . . . A 508 GLU CB . 31233 2 840 . 1 . 1 258 258 GLU N N 15 115.913 0.00 . 1 . . . . A 508 GLU N . 31233 2 841 . 1 . 1 259 259 ARG H H 1 7.574 0.00 . 1 . . . . A 509 ARG H . 31233 2 842 . 1 . 1 259 259 ARG CA C 13 55.044 0.01 . 1 . . . . A 509 ARG CA . 31233 2 843 . 1 . 1 259 259 ARG CB C 13 29.558 0.00 . 1 . . . . A 509 ARG CB . 31233 2 844 . 1 . 1 259 259 ARG N N 15 121.109 0.00 . 1 . . . . A 509 ARG N . 31233 2 845 . 1 . 1 260 260 PRO C C 13 173.990 0.00 . 1 . . . . A 510 PRO C . 31233 2 846 . 1 . 1 260 260 PRO CA C 13 62.418 0.03 . 1 . . . . A 510 PRO CA . 31233 2 847 . 1 . 1 260 260 PRO CB C 13 32.740 0.00 . 1 . . . . A 510 PRO CB . 31233 2 848 . 1 . 1 261 261 THR H H 1 7.423 0.00 . 1 . . . . A 511 THR H . 31233 2 849 . 1 . 1 261 261 THR CA C 13 59.471 0.03 . 1 . . . . A 511 THR CA . 31233 2 850 . 1 . 1 261 261 THR CB C 13 70.837 0.00 . 1 . . . . A 511 THR CB . 31233 2 851 . 1 . 1 261 261 THR N N 15 104.636 0.00 . 1 . . . . A 511 THR N . 31233 2 852 . 1 . 1 262 262 PHE C C 13 178.696 0.00 . 1 . . . . A 512 PHE C . 31233 2 853 . 1 . 1 262 262 PHE CA C 13 63.995 0.05 . 1 . . . . A 512 PHE CA . 31233 2 854 . 1 . 1 262 262 PHE CB C 13 36.970 0.00 . 1 . . . . A 512 PHE CB . 31233 2 855 . 1 . 1 263 263 GLU H H 1 8.450 0.00 . 1 . . . . A 513 GLU H . 31233 2 856 . 1 . 1 263 263 GLU C C 13 178.782 0.00 . 1 . . . . A 513 GLU C . 31233 2 857 . 1 . 1 263 263 GLU CA C 13 60.384 0.03 . 1 . . . . A 513 GLU CA . 31233 2 858 . 1 . 1 263 263 GLU CB C 13 29.554 0.00 . 1 . . . . A 513 GLU CB . 31233 2 859 . 1 . 1 263 263 GLU N N 15 120.626 0.00 . 1 . . . . A 513 GLU N . 31233 2 860 . 1 . 1 264 264 TYR H H 1 8.344 0.00 . 1 . . . . A 514 TYR H . 31233 2 861 . 1 . 1 264 264 TYR CA C 13 61.792 0.03 . 1 . . . . A 514 TYR CA . 31233 2 862 . 1 . 1 264 264 TYR CB C 13 38.061 0.00 . 1 . . . . A 514 TYR CB . 31233 2 863 . 1 . 1 264 264 TYR N N 15 121.853 0.02 . 1 . . . . A 514 TYR N . 31233 2 864 . 1 . 1 265 265 LEU C C 13 177.999 0.00 . 1 . . . . A 515 LEU C . 31233 2 865 . 1 . 1 265 265 LEU CA C 13 58.665 0.00 . 1 . . . . A 515 LEU CA . 31233 2 866 . 1 . 1 266 266 GLN H H 1 8.913 0.00 . 1 . . . . A 516 GLN H . 31233 2 867 . 1 . 1 266 266 GLN C C 13 176.944 0.00 . 1 . . . . A 516 GLN C . 31233 2 868 . 1 . 1 266 266 GLN CA C 13 60.576 0.02 . 1 . . . . A 516 GLN CA . 31233 2 869 . 1 . 1 266 266 GLN N N 15 117.519 0.00 . 1 . . . . A 516 GLN N . 31233 2 870 . 1 . 1 267 267 ALA H H 1 7.277 0.00 . 1 . . . . A 517 ALA H . 31233 2 871 . 1 . 1 267 267 ALA C C 13 179.661 0.00 . 1 . . . . A 517 ALA C . 31233 2 872 . 1 . 1 267 267 ALA CA C 13 55.324 0.03 . 1 . . . . A 517 ALA CA . 31233 2 873 . 1 . 1 267 267 ALA CB C 13 17.989 0.00 . 1 . . . . A 517 ALA CB . 31233 2 874 . 1 . 1 267 267 ALA N N 15 120.235 0.00 . 1 . . . . A 517 ALA N . 31233 2 875 . 1 . 1 268 268 PHE H H 1 8.663 0.00 . 1 . . . . A 518 PHE H . 31233 2 876 . 1 . 1 268 268 PHE C C 13 179.005 0.00 . 1 . . . . A 518 PHE C . 31233 2 877 . 1 . 1 268 268 PHE CA C 13 61.122 0.00 . 1 . . . . A 518 PHE CA . 31233 2 878 . 1 . 1 268 268 PHE N N 15 118.565 0.00 . 1 . . . . A 518 PHE N . 31233 2 879 . 1 . 1 269 269 LEU H H 1 8.323 0.00 . 1 . . . . A 519 LEU H . 31233 2 880 . 1 . 1 269 269 LEU C C 13 179.081 0.00 . 1 . . . . A 519 LEU C . 31233 2 881 . 1 . 1 269 269 LEU CA C 13 57.794 0.06 . 1 . . . . A 519 LEU CA . 31233 2 882 . 1 . 1 269 269 LEU N N 15 117.807 0.00 . 1 . . . . A 519 LEU N . 31233 2 883 . 1 . 1 270 270 GLU H H 1 8.688 0.00 . 1 . . . . A 520 GLU H . 31233 2 884 . 1 . 1 270 270 GLU C C 13 178.549 0.00 . 1 . . . . A 520 GLU C . 31233 2 885 . 1 . 1 270 270 GLU CA C 13 59.872 0.01 . 1 . . . . A 520 GLU CA . 31233 2 886 . 1 . 1 270 270 GLU CB C 13 29.420 0.00 . 1 . . . . A 520 GLU CB . 31233 2 887 . 1 . 1 270 270 GLU N N 15 119.684 0.00 . 1 . . . . A 520 GLU N . 31233 2 888 . 1 . 1 271 271 ASP H H 1 7.499 0.00 . 1 . . . . A 521 ASP H . 31233 2 889 . 1 . 1 271 271 ASP C C 13 177.299 0.00 . 1 . . . . A 521 ASP C . 31233 2 890 . 1 . 1 271 271 ASP CA C 13 54.252 0.03 . 1 . . . . A 521 ASP CA . 31233 2 891 . 1 . 1 271 271 ASP CB C 13 41.281 0.00 . 1 . . . . A 521 ASP CB . 31233 2 892 . 1 . 1 271 271 ASP N N 15 116.206 0.01 . 1 . . . . A 521 ASP N . 31233 2 893 . 1 . 1 272 272 TYR H H 1 7.171 0.00 . 1 . . . . A 522 TYR H . 31233 2 894 . 1 . 1 272 272 TYR C C 13 176.872 0.00 . 1 . . . . A 522 TYR C . 31233 2 895 . 1 . 1 272 272 TYR CA C 13 63.389 0.07 . 1 . . . . A 522 TYR CA . 31233 2 896 . 1 . 1 272 272 TYR CB C 13 40.175 0.01 . 1 . . . . A 522 TYR CB . 31233 2 897 . 1 . 1 272 272 TYR N N 15 122.733 0.00 . 1 . . . . A 522 TYR N . 31233 2 898 . 1 . 1 273 273 PHE H H 1 8.733 0.00 . 1 . . . . A 523 PHE H . 31233 2 899 . 1 . 1 273 273 PHE C C 13 174.623 0.00 . 1 . . . . A 523 PHE C . 31233 2 900 . 1 . 1 273 273 PHE CA C 13 60.520 0.03 . 1 . . . . A 523 PHE CA . 31233 2 901 . 1 . 1 273 273 PHE CB C 13 38.034 0.03 . 1 . . . . A 523 PHE CB . 31233 2 902 . 1 . 1 273 273 PHE N N 15 114.383 0.00 . 1 . . . . A 523 PHE N . 31233 2 903 . 1 . 1 274 274 THR H H 1 7.743 0.00 . 1 . . . . A 524 THR H . 31233 2 904 . 1 . 1 274 274 THR C C 13 175.489 0.00 . 1 . . . . A 524 THR C . 31233 2 905 . 1 . 1 274 274 THR CA C 13 64.120 0.02 . 1 . . . . A 524 THR CA . 31233 2 906 . 1 . 1 274 274 THR CB C 13 69.517 0.00 . 1 . . . . A 524 THR CB . 31233 2 907 . 1 . 1 274 274 THR N N 15 112.873 0.00 . 1 . . . . A 524 THR N . 31233 2 908 . 1 . 1 275 275 SER H H 1 8.244 0.00 . 1 . . . . A 525 SER H . 31233 2 909 . 1 . 1 275 275 SER C C 13 174.628 0.00 . 1 . . . . A 525 SER C . 31233 2 910 . 1 . 1 275 275 SER CA C 13 60.259 0.04 . 1 . . . . A 525 SER CA . 31233 2 911 . 1 . 1 275 275 SER CB C 13 64.046 0.00 . 1 . . . . A 525 SER CB . 31233 2 912 . 1 . 1 275 275 SER N N 15 114.788 0.00 . 1 . . . . A 525 SER N . 31233 2 913 . 1 . 1 276 276 THR H H 1 7.231 0.00 . 1 . . . . A 526 THR H . 31233 2 914 . 1 . 1 276 276 THR C C 13 173.765 0.00 . 1 . . . . A 526 THR C . 31233 2 915 . 1 . 1 276 276 THR CA C 13 65.436 0.04 . 1 . . . . A 526 THR CA . 31233 2 916 . 1 . 1 276 276 THR CB C 13 68.633 0.00 . 1 . . . . A 526 THR CB . 31233 2 917 . 1 . 1 276 276 THR N N 15 117.421 0.00 . 1 . . . . A 526 THR N . 31233 2 918 . 1 . 1 277 277 GLU H H 1 7.852 0.00 . 1 . . . . A 527 GLU H . 31233 2 919 . 1 . 1 277 277 GLU CA C 13 53.083 0.02 . 1 . . . . A 527 GLU CA . 31233 2 920 . 1 . 1 277 277 GLU CB C 13 29.307 0.00 . 1 . . . . A 527 GLU CB . 31233 2 921 . 1 . 1 277 277 GLU N N 15 119.051 0.00 . 1 . . . . A 527 GLU N . 31233 2 922 . 1 . 1 278 278 PRO C C 13 177.742 0.00 . 1 . . . . A 528 PRO C . 31233 2 923 . 1 . 1 278 278 PRO CA C 13 64.275 0.04 . 1 . . . . A 528 PRO CA . 31233 2 924 . 1 . 1 278 278 PRO CB C 13 31.784 0.00 . 1 . . . . A 528 PRO CB . 31233 2 925 . 1 . 1 279 279 GLN H H 1 8.529 0.00 . 1 . . . . A 529 GLN H . 31233 2 926 . 1 . 1 279 279 GLN C C 13 175.558 0.00 . 1 . . . . A 529 GLN C . 31233 2 927 . 1 . 1 279 279 GLN CA C 13 55.363 0.04 . 1 . . . . A 529 GLN CA . 31233 2 928 . 1 . 1 279 279 GLN CB C 13 28.450 0.05 . 1 . . . . A 529 GLN CB . 31233 2 929 . 1 . 1 279 279 GLN N N 15 118.607 0.00 . 1 . . . . A 529 GLN N . 31233 2 930 . 1 . 1 280 280 TYR H H 1 7.761 0.00 . 1 . . . . A 530 TYR H . 31233 2 931 . 1 . 1 280 280 TYR C C 13 174.988 0.00 . 1 . . . . A 530 TYR C . 31233 2 932 . 1 . 1 280 280 TYR CA C 13 59.879 0.01 . 1 . . . . A 530 TYR CA . 31233 2 933 . 1 . 1 280 280 TYR CB C 13 39.112 0.01 . 1 . . . . A 530 TYR CB . 31233 2 934 . 1 . 1 280 280 TYR N N 15 121.996 0.00 . 1 . . . . A 530 TYR N . 31233 2 935 . 1 . 1 281 281 GLN H H 1 7.849 0.00 . 1 . . . . A 531 GLN H . 31233 2 936 . 1 . 1 281 281 GLN CA C 13 52.564 0.02 . 1 . . . . A 531 GLN CA . 31233 2 937 . 1 . 1 281 281 GLN CB C 13 30.453 0.00 . 1 . . . . A 531 GLN CB . 31233 2 938 . 1 . 1 281 281 GLN N N 15 126.714 0.00 . 1 . . . . A 531 GLN N . 31233 2 939 . 1 . 1 282 282 PRO C C 13 177.469 0.00 . 1 . . . . A 532 PRO C . 31233 2 940 . 1 . 1 282 282 PRO CA C 13 63.608 0.04 . 1 . . . . A 532 PRO CA . 31233 2 941 . 1 . 1 282 282 PRO CB C 13 32.463 0.00 . 1 . . . . A 532 PRO CB . 31233 2 942 . 1 . 1 283 283 GLY H H 1 8.956 0.00 . 1 . . . . A 533 GLY H . 31233 2 943 . 1 . 1 283 283 GLY C C 13 174.283 0.00 . 1 . . . . A 533 GLY C . 31233 2 944 . 1 . 1 283 283 GLY CA C 13 44.772 0.02 . 1 . . . . A 533 GLY CA . 31233 2 945 . 1 . 1 283 283 GLY N N 15 112.230 0.00 . 1 . . . . A 533 GLY N . 31233 2 946 . 1 . 1 284 284 GLU H H 1 9.189 0.01 . 1 . . . . A 534 GLU H . 31233 2 947 . 1 . 1 284 284 GLU N N 15 123.439 0.00 . 1 . . . . A 534 GLU N . 31233 2 948 . 1 . 1 285 285 ASN H H 1 9.482 0.01 . 1 . . . . A 535 ASN H . 31233 2 949 . 1 . 1 285 285 ASN C C 13 173.731 0.00 . 1 . . . . A 535 ASN C . 31233 2 950 . 1 . 1 285 285 ASN CA C 13 54.350 0.00 . 1 . . . . A 535 ASN CA . 31233 2 951 . 1 . 1 285 285 ASN CB C 13 41.038 0.00 . 1 . . . . A 535 ASN CB . 31233 2 952 . 1 . 1 285 285 ASN N N 15 117.306 0.00 . 1 . . . . A 535 ASN N . 31233 2 953 . 1 . 1 286 286 LEU H H 1 7.930 0.00 . 1 . . . . A 536 LEU H . 31233 2 954 . 1 . 1 286 286 LEU CA C 13 56.555 0.00 . 1 . . . . A 536 LEU CA . 31233 2 955 . 1 . 1 286 286 LEU CB C 13 44.952 0.00 . 1 . . . . A 536 LEU CB . 31233 2 956 . 1 . 1 286 286 LEU N N 15 125.237 0.00 . 1 . . . . A 536 LEU N . 31233 2 stop_ save_