data_50694 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50694 _Entry.Title ; 1H, 15N, 13C backbone resonance assignment of the monomer C-terminal domain of Enzyme I from Thermoanaerobacter tengcongensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-06 _Entry.Accession_date 2021-01-06 _Entry.Last_release_date 2021-02-11 _Entry.Original_release_date 2021-02-11 _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 _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 Trang Nguyen . . . . 50694 2 Vincenzo Venditti . . . . 50694 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50694 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 711 50694 '15N chemical shifts' 243 50694 '1H chemical shifts' 243 50694 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 . . 2021-05-27 . original BMRB . 50694 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27183 'C-terminal domain of Enzyme I from Thermoanaerobacter tengcongensis' 50694 BMRB 50695 'dimer C-terminal domain of Enzyme I from Thermoanaerobacter tengcongensis' 50694 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50694 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33975952 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure elucidation of the elusive Enzyme I monomer reveals the molecular mechanisms linking oligomerization and enzymatic activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 118 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e2100298118 _Citation.Page_last e2100298118 _Citation.Year 2021 _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 Trang Nguyen . T. . . 50694 1 2 Rodolfo Ghirlando . . . . 50694 1 3 Julien Roche . . . . 50694 1 4 Vincenzo Venditti . . . . 50694 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Phosphotransferase system' 50694 1 'carbon metabolism' 50694 1 'enzyme regulation' 50694 1 'high-pressure; solution NMR' 50694 1 phosphoenolpyruvate 50694 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50694 _Assembly.ID 1 _Assembly.Name 3m-tEIC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'monomer 3m-tEIC' 1 $entity_1 . . yes native no no . . . 50694 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50694 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMAETPDGKKVMLAANIGTP KDVASALANGAEGVGLFRTE FLYMDRNSLPSEEEQFEAYK EVVEKMGGRPVTIRTLDIGG DKELPYLDMPKEMNPFLGYR AIRLCLDRPDIFKTQLRAIL RASAYGNVQIMYPMISSVEE VEKANSILEEVKAELDREGV KYDKEIKVGIMVEIPSAAVT ARILAKEVDFFSIGTNDLTQ YTLAVDRMNEHVKEYYQPFH PAILRLVKMVIDAAHKEGKF AAMCGEMAGDPLAAVILLGL GLDEFSMSATSIPEIKNIIR NVEYEKAKEIAEKALNMSEA EEIEKMMKDVIKDIG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering starts at 259 Serine' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 315 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'R400E, D440R, R559E' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 259 SER . 50694 1 2 260 MET . 50694 1 3 261 ALA . 50694 1 4 262 GLU . 50694 1 5 263 THR . 50694 1 6 264 PRO . 50694 1 7 265 ASP . 50694 1 8 266 GLY . 50694 1 9 267 LYS . 50694 1 10 268 LYS . 50694 1 11 269 VAL . 50694 1 12 270 MET . 50694 1 13 271 LEU . 50694 1 14 272 ALA . 50694 1 15 273 ALA . 50694 1 16 274 ASN . 50694 1 17 275 ILE . 50694 1 18 276 GLY . 50694 1 19 277 THR . 50694 1 20 278 PRO . 50694 1 21 279 LYS . 50694 1 22 280 ASP . 50694 1 23 281 VAL . 50694 1 24 282 ALA . 50694 1 25 283 SER . 50694 1 26 284 ALA . 50694 1 27 285 LEU . 50694 1 28 286 ALA . 50694 1 29 287 ASN . 50694 1 30 288 GLY . 50694 1 31 289 ALA . 50694 1 32 290 GLU . 50694 1 33 291 GLY . 50694 1 34 292 VAL . 50694 1 35 293 GLY . 50694 1 36 294 LEU . 50694 1 37 295 PHE . 50694 1 38 296 ARG . 50694 1 39 297 THR . 50694 1 40 298 GLU . 50694 1 41 299 PHE . 50694 1 42 300 LEU . 50694 1 43 301 TYR . 50694 1 44 302 MET . 50694 1 45 303 ASP . 50694 1 46 304 ARG . 50694 1 47 305 ASN . 50694 1 48 306 SER . 50694 1 49 307 LEU . 50694 1 50 308 PRO . 50694 1 51 309 SER . 50694 1 52 310 GLU . 50694 1 53 311 GLU . 50694 1 54 312 GLU . 50694 1 55 313 GLN . 50694 1 56 314 PHE . 50694 1 57 315 GLU . 50694 1 58 316 ALA . 50694 1 59 317 TYR . 50694 1 60 318 LYS . 50694 1 61 319 GLU . 50694 1 62 320 VAL . 50694 1 63 321 VAL . 50694 1 64 322 GLU . 50694 1 65 323 LYS . 50694 1 66 324 MET . 50694 1 67 325 GLY . 50694 1 68 326 GLY . 50694 1 69 327 ARG . 50694 1 70 328 PRO . 50694 1 71 329 VAL . 50694 1 72 330 THR . 50694 1 73 331 ILE . 50694 1 74 332 ARG . 50694 1 75 333 THR . 50694 1 76 334 LEU . 50694 1 77 335 ASP . 50694 1 78 336 ILE . 50694 1 79 337 GLY . 50694 1 80 338 GLY . 50694 1 81 339 ASP . 50694 1 82 340 LYS . 50694 1 83 341 GLU . 50694 1 84 342 LEU . 50694 1 85 343 PRO . 50694 1 86 344 TYR . 50694 1 87 345 LEU . 50694 1 88 346 ASP . 50694 1 89 347 MET . 50694 1 90 348 PRO . 50694 1 91 349 LYS . 50694 1 92 350 GLU . 50694 1 93 351 MET . 50694 1 94 352 ASN . 50694 1 95 353 PRO . 50694 1 96 354 PHE . 50694 1 97 355 LEU . 50694 1 98 356 GLY . 50694 1 99 357 TYR . 50694 1 100 358 ARG . 50694 1 101 359 ALA . 50694 1 102 360 ILE . 50694 1 103 361 ARG . 50694 1 104 362 LEU . 50694 1 105 363 CYS . 50694 1 106 364 LEU . 50694 1 107 365 ASP . 50694 1 108 366 ARG . 50694 1 109 367 PRO . 50694 1 110 368 ASP . 50694 1 111 369 ILE . 50694 1 112 370 PHE . 50694 1 113 371 LYS . 50694 1 114 372 THR . 50694 1 115 373 GLN . 50694 1 116 374 LEU . 50694 1 117 375 ARG . 50694 1 118 376 ALA . 50694 1 119 377 ILE . 50694 1 120 378 LEU . 50694 1 121 379 ARG . 50694 1 122 380 ALA . 50694 1 123 381 SER . 50694 1 124 382 ALA . 50694 1 125 383 TYR . 50694 1 126 384 GLY . 50694 1 127 385 ASN . 50694 1 128 386 VAL . 50694 1 129 387 GLN . 50694 1 130 388 ILE . 50694 1 131 389 MET . 50694 1 132 390 TYR . 50694 1 133 391 PRO . 50694 1 134 392 MET . 50694 1 135 393 ILE . 50694 1 136 394 SER . 50694 1 137 395 SER . 50694 1 138 396 VAL . 50694 1 139 397 GLU . 50694 1 140 398 GLU . 50694 1 141 399 VAL . 50694 1 142 400 GLU . 50694 1 143 401 LYS . 50694 1 144 402 ALA . 50694 1 145 403 ASN . 50694 1 146 404 SER . 50694 1 147 405 ILE . 50694 1 148 406 LEU . 50694 1 149 407 GLU . 50694 1 150 408 GLU . 50694 1 151 409 VAL . 50694 1 152 410 LYS . 50694 1 153 411 ALA . 50694 1 154 412 GLU . 50694 1 155 413 LEU . 50694 1 156 414 ASP . 50694 1 157 415 ARG . 50694 1 158 416 GLU . 50694 1 159 417 GLY . 50694 1 160 418 VAL . 50694 1 161 419 LYS . 50694 1 162 420 TYR . 50694 1 163 421 ASP . 50694 1 164 422 LYS . 50694 1 165 423 GLU . 50694 1 166 424 ILE . 50694 1 167 425 LYS . 50694 1 168 426 VAL . 50694 1 169 427 GLY . 50694 1 170 428 ILE . 50694 1 171 429 MET . 50694 1 172 430 VAL . 50694 1 173 431 GLU . 50694 1 174 432 ILE . 50694 1 175 433 PRO . 50694 1 176 434 SER . 50694 1 177 435 ALA . 50694 1 178 436 ALA . 50694 1 179 437 VAL . 50694 1 180 438 THR . 50694 1 181 439 ALA . 50694 1 182 440 ARG . 50694 1 183 441 ILE . 50694 1 184 442 LEU . 50694 1 185 443 ALA . 50694 1 186 444 LYS . 50694 1 187 445 GLU . 50694 1 188 446 VAL . 50694 1 189 447 ASP . 50694 1 190 448 PHE . 50694 1 191 449 PHE . 50694 1 192 450 SER . 50694 1 193 451 ILE . 50694 1 194 452 GLY . 50694 1 195 453 THR . 50694 1 196 454 ASN . 50694 1 197 455 ASP . 50694 1 198 456 LEU . 50694 1 199 457 THR . 50694 1 200 458 GLN . 50694 1 201 459 TYR . 50694 1 202 460 THR . 50694 1 203 461 LEU . 50694 1 204 462 ALA . 50694 1 205 463 VAL . 50694 1 206 464 ASP . 50694 1 207 465 ARG . 50694 1 208 466 MET . 50694 1 209 467 ASN . 50694 1 210 468 GLU . 50694 1 211 469 HIS . 50694 1 212 470 VAL . 50694 1 213 471 LYS . 50694 1 214 472 GLU . 50694 1 215 473 TYR . 50694 1 216 474 TYR . 50694 1 217 475 GLN . 50694 1 218 476 PRO . 50694 1 219 477 PHE . 50694 1 220 478 HIS . 50694 1 221 479 PRO . 50694 1 222 480 ALA . 50694 1 223 481 ILE . 50694 1 224 482 LEU . 50694 1 225 483 ARG . 50694 1 226 484 LEU . 50694 1 227 485 VAL . 50694 1 228 486 LYS . 50694 1 229 487 MET . 50694 1 230 488 VAL . 50694 1 231 489 ILE . 50694 1 232 490 ASP . 50694 1 233 491 ALA . 50694 1 234 492 ALA . 50694 1 235 493 HIS . 50694 1 236 494 LYS . 50694 1 237 495 GLU . 50694 1 238 496 GLY . 50694 1 239 497 LYS . 50694 1 240 498 PHE . 50694 1 241 499 ALA . 50694 1 242 500 ALA . 50694 1 243 501 MET . 50694 1 244 502 CYS . 50694 1 245 503 GLY . 50694 1 246 504 GLU . 50694 1 247 505 MET . 50694 1 248 506 ALA . 50694 1 249 507 GLY . 50694 1 250 508 ASP . 50694 1 251 509 PRO . 50694 1 252 510 LEU . 50694 1 253 511 ALA . 50694 1 254 512 ALA . 50694 1 255 513 VAL . 50694 1 256 514 ILE . 50694 1 257 515 LEU . 50694 1 258 516 LEU . 50694 1 259 517 GLY . 50694 1 260 518 LEU . 50694 1 261 519 GLY . 50694 1 262 520 LEU . 50694 1 263 521 ASP . 50694 1 264 522 GLU . 50694 1 265 523 PHE . 50694 1 266 524 SER . 50694 1 267 525 MET . 50694 1 268 526 SER . 50694 1 269 527 ALA . 50694 1 270 528 THR . 50694 1 271 529 SER . 50694 1 272 530 ILE . 50694 1 273 531 PRO . 50694 1 274 532 GLU . 50694 1 275 533 ILE . 50694 1 276 534 LYS . 50694 1 277 535 ASN . 50694 1 278 536 ILE . 50694 1 279 537 ILE . 50694 1 280 538 ARG . 50694 1 281 539 ASN . 50694 1 282 540 VAL . 50694 1 283 541 GLU . 50694 1 284 542 TYR . 50694 1 285 543 GLU . 50694 1 286 544 LYS . 50694 1 287 545 ALA . 50694 1 288 546 LYS . 50694 1 289 547 GLU . 50694 1 290 548 ILE . 50694 1 291 549 ALA . 50694 1 292 550 GLU . 50694 1 293 551 LYS . 50694 1 294 552 ALA . 50694 1 295 553 LEU . 50694 1 296 554 ASN . 50694 1 297 555 MET . 50694 1 298 556 SER . 50694 1 299 557 GLU . 50694 1 300 558 ALA . 50694 1 301 559 GLU . 50694 1 302 560 GLU . 50694 1 303 561 ILE . 50694 1 304 562 GLU . 50694 1 305 563 LYS . 50694 1 306 564 MET . 50694 1 307 565 MET . 50694 1 308 566 LYS . 50694 1 309 567 ASP . 50694 1 310 568 VAL . 50694 1 311 569 ILE . 50694 1 312 570 LYS . 50694 1 313 571 ASP . 50694 1 314 572 ILE . 50694 1 315 573 GLY . 50694 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 50694 1 . MET 2 2 50694 1 . ALA 3 3 50694 1 . GLU 4 4 50694 1 . THR 5 5 50694 1 . PRO 6 6 50694 1 . ASP 7 7 50694 1 . GLY 8 8 50694 1 . LYS 9 9 50694 1 . LYS 10 10 50694 1 . VAL 11 11 50694 1 . MET 12 12 50694 1 . LEU 13 13 50694 1 . ALA 14 14 50694 1 . ALA 15 15 50694 1 . ASN 16 16 50694 1 . ILE 17 17 50694 1 . GLY 18 18 50694 1 . THR 19 19 50694 1 . PRO 20 20 50694 1 . LYS 21 21 50694 1 . ASP 22 22 50694 1 . VAL 23 23 50694 1 . ALA 24 24 50694 1 . SER 25 25 50694 1 . ALA 26 26 50694 1 . LEU 27 27 50694 1 . ALA 28 28 50694 1 . ASN 29 29 50694 1 . GLY 30 30 50694 1 . ALA 31 31 50694 1 . GLU 32 32 50694 1 . GLY 33 33 50694 1 . VAL 34 34 50694 1 . GLY 35 35 50694 1 . LEU 36 36 50694 1 . PHE 37 37 50694 1 . ARG 38 38 50694 1 . THR 39 39 50694 1 . GLU 40 40 50694 1 . PHE 41 41 50694 1 . LEU 42 42 50694 1 . TYR 43 43 50694 1 . MET 44 44 50694 1 . ASP 45 45 50694 1 . ARG 46 46 50694 1 . ASN 47 47 50694 1 . SER 48 48 50694 1 . LEU 49 49 50694 1 . PRO 50 50 50694 1 . SER 51 51 50694 1 . GLU 52 52 50694 1 . GLU 53 53 50694 1 . GLU 54 54 50694 1 . GLN 55 55 50694 1 . PHE 56 56 50694 1 . GLU 57 57 50694 1 . ALA 58 58 50694 1 . TYR 59 59 50694 1 . LYS 60 60 50694 1 . GLU 61 61 50694 1 . VAL 62 62 50694 1 . VAL 63 63 50694 1 . GLU 64 64 50694 1 . LYS 65 65 50694 1 . MET 66 66 50694 1 . GLY 67 67 50694 1 . GLY 68 68 50694 1 . ARG 69 69 50694 1 . PRO 70 70 50694 1 . VAL 71 71 50694 1 . THR 72 72 50694 1 . ILE 73 73 50694 1 . ARG 74 74 50694 1 . THR 75 75 50694 1 . LEU 76 76 50694 1 . ASP 77 77 50694 1 . ILE 78 78 50694 1 . GLY 79 79 50694 1 . GLY 80 80 50694 1 . ASP 81 81 50694 1 . LYS 82 82 50694 1 . GLU 83 83 50694 1 . LEU 84 84 50694 1 . PRO 85 85 50694 1 . TYR 86 86 50694 1 . LEU 87 87 50694 1 . ASP 88 88 50694 1 . MET 89 89 50694 1 . PRO 90 90 50694 1 . LYS 91 91 50694 1 . GLU 92 92 50694 1 . MET 93 93 50694 1 . ASN 94 94 50694 1 . PRO 95 95 50694 1 . PHE 96 96 50694 1 . LEU 97 97 50694 1 . GLY 98 98 50694 1 . TYR 99 99 50694 1 . ARG 100 100 50694 1 . ALA 101 101 50694 1 . ILE 102 102 50694 1 . ARG 103 103 50694 1 . LEU 104 104 50694 1 . CYS 105 105 50694 1 . LEU 106 106 50694 1 . ASP 107 107 50694 1 . ARG 108 108 50694 1 . PRO 109 109 50694 1 . ASP 110 110 50694 1 . ILE 111 111 50694 1 . PHE 112 112 50694 1 . LYS 113 113 50694 1 . THR 114 114 50694 1 . GLN 115 115 50694 1 . LEU 116 116 50694 1 . ARG 117 117 50694 1 . ALA 118 118 50694 1 . ILE 119 119 50694 1 . LEU 120 120 50694 1 . ARG 121 121 50694 1 . ALA 122 122 50694 1 . SER 123 123 50694 1 . ALA 124 124 50694 1 . TYR 125 125 50694 1 . GLY 126 126 50694 1 . ASN 127 127 50694 1 . VAL 128 128 50694 1 . GLN 129 129 50694 1 . ILE 130 130 50694 1 . MET 131 131 50694 1 . TYR 132 132 50694 1 . PRO 133 133 50694 1 . MET 134 134 50694 1 . ILE 135 135 50694 1 . SER 136 136 50694 1 . SER 137 137 50694 1 . VAL 138 138 50694 1 . GLU 139 139 50694 1 . GLU 140 140 50694 1 . VAL 141 141 50694 1 . GLU 142 142 50694 1 . LYS 143 143 50694 1 . ALA 144 144 50694 1 . ASN 145 145 50694 1 . SER 146 146 50694 1 . ILE 147 147 50694 1 . LEU 148 148 50694 1 . GLU 149 149 50694 1 . GLU 150 150 50694 1 . VAL 151 151 50694 1 . LYS 152 152 50694 1 . ALA 153 153 50694 1 . GLU 154 154 50694 1 . LEU 155 155 50694 1 . ASP 156 156 50694 1 . ARG 157 157 50694 1 . GLU 158 158 50694 1 . GLY 159 159 50694 1 . VAL 160 160 50694 1 . LYS 161 161 50694 1 . TYR 162 162 50694 1 . ASP 163 163 50694 1 . LYS 164 164 50694 1 . GLU 165 165 50694 1 . ILE 166 166 50694 1 . LYS 167 167 50694 1 . VAL 168 168 50694 1 . GLY 169 169 50694 1 . ILE 170 170 50694 1 . MET 171 171 50694 1 . VAL 172 172 50694 1 . GLU 173 173 50694 1 . ILE 174 174 50694 1 . PRO 175 175 50694 1 . SER 176 176 50694 1 . ALA 177 177 50694 1 . ALA 178 178 50694 1 . VAL 179 179 50694 1 . THR 180 180 50694 1 . ALA 181 181 50694 1 . ARG 182 182 50694 1 . ILE 183 183 50694 1 . LEU 184 184 50694 1 . ALA 185 185 50694 1 . LYS 186 186 50694 1 . GLU 187 187 50694 1 . VAL 188 188 50694 1 . ASP 189 189 50694 1 . PHE 190 190 50694 1 . PHE 191 191 50694 1 . SER 192 192 50694 1 . ILE 193 193 50694 1 . GLY 194 194 50694 1 . THR 195 195 50694 1 . ASN 196 196 50694 1 . ASP 197 197 50694 1 . LEU 198 198 50694 1 . THR 199 199 50694 1 . GLN 200 200 50694 1 . TYR 201 201 50694 1 . THR 202 202 50694 1 . LEU 203 203 50694 1 . ALA 204 204 50694 1 . VAL 205 205 50694 1 . ASP 206 206 50694 1 . ARG 207 207 50694 1 . MET 208 208 50694 1 . ASN 209 209 50694 1 . GLU 210 210 50694 1 . HIS 211 211 50694 1 . VAL 212 212 50694 1 . LYS 213 213 50694 1 . GLU 214 214 50694 1 . TYR 215 215 50694 1 . TYR 216 216 50694 1 . GLN 217 217 50694 1 . PRO 218 218 50694 1 . PHE 219 219 50694 1 . HIS 220 220 50694 1 . PRO 221 221 50694 1 . ALA 222 222 50694 1 . ILE 223 223 50694 1 . LEU 224 224 50694 1 . ARG 225 225 50694 1 . LEU 226 226 50694 1 . VAL 227 227 50694 1 . LYS 228 228 50694 1 . MET 229 229 50694 1 . VAL 230 230 50694 1 . ILE 231 231 50694 1 . ASP 232 232 50694 1 . ALA 233 233 50694 1 . ALA 234 234 50694 1 . HIS 235 235 50694 1 . LYS 236 236 50694 1 . GLU 237 237 50694 1 . GLY 238 238 50694 1 . LYS 239 239 50694 1 . PHE 240 240 50694 1 . ALA 241 241 50694 1 . ALA 242 242 50694 1 . MET 243 243 50694 1 . CYS 244 244 50694 1 . GLY 245 245 50694 1 . GLU 246 246 50694 1 . MET 247 247 50694 1 . ALA 248 248 50694 1 . GLY 249 249 50694 1 . ASP 250 250 50694 1 . PRO 251 251 50694 1 . LEU 252 252 50694 1 . ALA 253 253 50694 1 . ALA 254 254 50694 1 . VAL 255 255 50694 1 . ILE 256 256 50694 1 . LEU 257 257 50694 1 . LEU 258 258 50694 1 . GLY 259 259 50694 1 . LEU 260 260 50694 1 . GLY 261 261 50694 1 . LEU 262 262 50694 1 . ASP 263 263 50694 1 . GLU 264 264 50694 1 . PHE 265 265 50694 1 . SER 266 266 50694 1 . MET 267 267 50694 1 . SER 268 268 50694 1 . ALA 269 269 50694 1 . THR 270 270 50694 1 . SER 271 271 50694 1 . ILE 272 272 50694 1 . PRO 273 273 50694 1 . GLU 274 274 50694 1 . ILE 275 275 50694 1 . LYS 276 276 50694 1 . ASN 277 277 50694 1 . ILE 278 278 50694 1 . ILE 279 279 50694 1 . ARG 280 280 50694 1 . ASN 281 281 50694 1 . VAL 282 282 50694 1 . GLU 283 283 50694 1 . TYR 284 284 50694 1 . GLU 285 285 50694 1 . LYS 286 286 50694 1 . ALA 287 287 50694 1 . LYS 288 288 50694 1 . GLU 289 289 50694 1 . ILE 290 290 50694 1 . ALA 291 291 50694 1 . GLU 292 292 50694 1 . LYS 293 293 50694 1 . ALA 294 294 50694 1 . LEU 295 295 50694 1 . ASN 296 296 50694 1 . MET 297 297 50694 1 . SER 298 298 50694 1 . GLU 299 299 50694 1 . ALA 300 300 50694 1 . GLU 301 301 50694 1 . GLU 302 302 50694 1 . ILE 303 303 50694 1 . GLU 304 304 50694 1 . LYS 305 305 50694 1 . MET 306 306 50694 1 . MET 307 307 50694 1 . LYS 308 308 50694 1 . ASP 309 309 50694 1 . VAL 310 310 50694 1 . ILE 311 311 50694 1 . LYS 312 312 50694 1 . ASP 313 313 50694 1 . ILE 314 314 50694 1 . GLY 315 315 50694 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50694 _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 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 50694 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50694 _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' . . . Escherichia coli . . . plasmid . . pet21A . . . 50694 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50694 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 3m-tEIC '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 . . mM . . . . 50694 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50694 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50694 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50694 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50694 1 6 MgCl2 'natural abundance' . . . . . . 4 . . mM . . . . 50694 1 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 50694 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 50694 1 pressure 2000 . bar 50694 1 temperature 313 . K 50694 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50694 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50694 1 'data analysis' . 50694 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50694 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50694 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50694 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50694 3 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 50694 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50694 _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-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50694 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50694 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50694 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50694 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50694 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50694 1 7 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50694 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 50694 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _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 TMS 'methyl carbons' . . . . ppm 0 internal indirect 1 . . . . . 50694 1 H 1 TMS 'methylene protons' . . . . ppm 0 internal direct 1 . . . . . 50694 1 N 15 TMS nitrogen . . . . ppm 0 internal indirect 1 . . . . . 50694 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50694 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name monomer-3m-tEIC _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-15N HSQC' . . . 50694 1 2 '3D HNCO' . . . 50694 1 3 '3D HNCA' . . . 50694 1 4 '3D HN(CO)CA' . . . 50694 1 5 '3D HNCACB' . . . 50694 1 6 '3D HN(COCA)CB' . . . 50694 1 7 '3D HCACO' . . . 50694 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50694 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 MET H H 1 9.111 0.01 . . . . . . . 260 MET H . 50694 1 2 . 1 . 1 2 2 MET C C 13 176.122 0.00 . . . . . . . 260 MET CO . 50694 1 3 . 1 . 1 2 2 MET CA C 13 53.730 0.00 . . . . . . . 260 MET CA . 50694 1 4 . 1 . 1 2 2 MET CB C 13 32.698 0.00 . . . . . . . 260 MET CB . 50694 1 5 . 1 . 1 2 2 MET N N 15 127.378 0.04 . . . . . . . 260 MET N . 50694 1 6 . 1 . 1 3 3 ALA H H 1 9.114 0.00 . . . . . . . 261 ALA H . 50694 1 7 . 1 . 1 3 3 ALA C C 13 180.922 0.00 . . . . . . . 261 ALA CO . 50694 1 8 . 1 . 1 3 3 ALA CA C 13 54.899 0.00 . . . . . . . 261 ALA CA . 50694 1 9 . 1 . 1 3 3 ALA CB C 13 18.068 0.00 . . . . . . . 261 ALA CB . 50694 1 10 . 1 . 1 3 3 ALA N N 15 127.365 0.02 . . . . . . . 261 ALA N . 50694 1 11 . 1 . 1 7 7 ASP H H 1 8.067 0.00 . . . . . . . 265 ASP H . 50694 1 12 . 1 . 1 7 7 ASP C C 13 176.097 0.00 . . . . . . . 265 ASP CO . 50694 1 13 . 1 . 1 7 7 ASP CA C 13 55.617 0.00 . . . . . . . 265 ASP CA . 50694 1 14 . 1 . 1 8 8 GLY H H 1 8.066 0.00 . . . . . . . 266 GLY H . 50694 1 15 . 1 . 1 8 8 GLY C C 13 174.859 0.00 . . . . . . . 266 GLY CO . 50694 1 16 . 1 . 1 8 8 GLY CA C 13 45.329 0.00 . . . . . . . 266 GLY CA . 50694 1 17 . 1 . 1 8 8 GLY N N 15 110.097 0.01 . . . . . . . 266 GLY N . 50694 1 18 . 1 . 1 9 9 LYS H H 1 8.507 0.00 . . . . . . . 267 LYS H . 50694 1 19 . 1 . 1 9 9 LYS C C 13 175.177 0.00 . . . . . . . 267 LYS CO . 50694 1 20 . 1 . 1 9 9 LYS CA C 13 55.070 0.00 . . . . . . . 267 LYS CA . 50694 1 21 . 1 . 1 9 9 LYS CB C 13 33.981 0.00 . . . . . . . 267 LYS CB . 50694 1 22 . 1 . 1 9 9 LYS N N 15 128.144 0.03 . . . . . . . 267 LYS N . 50694 1 23 . 1 . 1 10 10 LYS H H 1 8.382 0.14 . . . . . . . 268 LYS H . 50694 1 24 . 1 . 1 10 10 LYS C C 13 176.520 0.03 . . . . . . . 268 LYS CO . 50694 1 25 . 1 . 1 10 10 LYS CA C 13 55.282 0.08 . . . . . . . 268 LYS CA . 50694 1 26 . 1 . 1 10 10 LYS CB C 13 32.713 0.75 . . . . . . . 268 LYS CB . 50694 1 27 . 1 . 1 10 10 LYS N N 15 128.201 0.00 . . . . . . . 268 LYS N . 50694 1 28 . 1 . 1 11 11 VAL H H 1 8.077 0.17 . . . . . . . 269 VAL H . 50694 1 29 . 1 . 1 11 11 VAL C C 13 173.842 0.00 . . . . . . . 269 VAL CO . 50694 1 30 . 1 . 1 11 11 VAL CA C 13 59.971 0.06 . . . . . . . 269 VAL CA . 50694 1 31 . 1 . 1 11 11 VAL CB C 13 33.467 0.00 . . . . . . . 269 VAL CB . 50694 1 32 . 1 . 1 11 11 VAL N N 15 122.004 1.68 . . . . . . . 269 VAL N . 50694 1 33 . 1 . 1 12 12 MET H H 1 8.114 0.29 . . . . . . . 270 MET H . 50694 1 34 . 1 . 1 12 12 MET C C 13 174.387 0.04 . . . . . . . 270 MET CO . 50694 1 35 . 1 . 1 12 12 MET CA C 13 54.662 0.02 . . . . . . . 270 MET CA . 50694 1 36 . 1 . 1 12 12 MET CB C 13 33.377 0.28 . . . . . . . 270 MET CB . 50694 1 37 . 1 . 1 12 12 MET N N 15 126.354 2.66 . . . . . . . 270 MET N . 50694 1 38 . 1 . 1 13 13 LEU H H 1 8.862 0.47 . . . . . . . 271 LEU H . 50694 1 39 . 1 . 1 13 13 LEU C C 13 173.528 0.00 . . . . . . . 271 LEU CO . 50694 1 40 . 1 . 1 13 13 LEU CA C 13 52.949 0.03 . . . . . . . 271 LEU CA . 50694 1 41 . 1 . 1 13 13 LEU CB C 13 40.427 0.12 . . . . . . . 271 LEU CB . 50694 1 42 . 1 . 1 13 13 LEU N N 15 128.784 0.75 . . . . . . . 271 LEU N . 50694 1 43 . 1 . 1 14 14 ALA H H 1 8.918 0.56 . . . . . . . 272 ALA H . 50694 1 44 . 1 . 1 14 14 ALA C C 13 174.553 0.02 . . . . . . . 272 ALA CO . 50694 1 45 . 1 . 1 14 14 ALA CA C 13 49.435 0.00 . . . . . . . 272 ALA CA . 50694 1 46 . 1 . 1 14 14 ALA CB C 13 21.954 0.37 . . . . . . . 272 ALA CB . 50694 1 47 . 1 . 1 14 14 ALA N N 15 127.944 0.00 . . . . . . . 272 ALA N . 50694 1 48 . 1 . 1 15 15 ALA H H 1 7.911 0.41 . . . . . . . 273 ALA H . 50694 1 49 . 1 . 1 15 15 ALA C C 13 177.190 0.03 . . . . . . . 273 ALA CO . 50694 1 50 . 1 . 1 15 15 ALA CA C 13 48.969 0.09 . . . . . . . 273 ALA CA . 50694 1 51 . 1 . 1 15 15 ALA CB C 13 22.361 0.08 . . . . . . . 273 ALA CB . 50694 1 52 . 1 . 1 15 15 ALA N N 15 119.418 1.25 . . . . . . . 273 ALA N . 50694 1 53 . 1 . 1 16 16 ASN H H 1 8.382 1.09 . . . . . . . 274 ASN H . 50694 1 54 . 1 . 1 16 16 ASN C C 13 175.730 0.03 . . . . . . . 274 ASN CO . 50694 1 55 . 1 . 1 16 16 ASN CA C 13 50.032 0.01 . . . . . . . 274 ASN CA . 50694 1 56 . 1 . 1 16 16 ASN CB C 13 37.659 0.03 . . . . . . . 274 ASN CB . 50694 1 57 . 1 . 1 16 16 ASN N N 15 120.165 0.81 . . . . . . . 274 ASN N . 50694 1 58 . 1 . 1 17 17 ILE H H 1 9.446 0.22 . . . . . . . 275 ILE H . 50694 1 59 . 1 . 1 17 17 ILE C C 13 174.382 0.01 . . . . . . . 275 ILE CO . 50694 1 60 . 1 . 1 17 17 ILE CA C 13 58.904 0.01 . . . . . . . 275 ILE CA . 50694 1 61 . 1 . 1 17 17 ILE CB C 13 40.533 0.00 . . . . . . . 275 ILE CB . 50694 1 62 . 1 . 1 17 17 ILE N N 15 119.249 0.00 . . . . . . . 275 ILE N . 50694 1 63 . 1 . 1 18 18 GLY H H 1 8.447 0.91 . . . . . . . 276 GLY H . 50694 1 64 . 1 . 1 18 18 GLY C C 13 172.081 0.02 . . . . . . . 276 GLY CO . 50694 1 65 . 1 . 1 18 18 GLY CA C 13 44.802 0.01 . . . . . . . 276 GLY CA . 50694 1 66 . 1 . 1 18 18 GLY N N 15 110.562 0.72 . . . . . . . 276 GLY N . 50694 1 67 . 1 . 1 19 19 THR H H 1 7.329 0.00 . . . . . . . 277 THR H . 50694 1 68 . 1 . 1 19 19 THR C C 13 173.108 0.00 . . . . . . . 277 THR CO . 50694 1 69 . 1 . 1 19 19 THR CA C 13 58.267 0.00 . . . . . . . 277 THR CA . 50694 1 70 . 1 . 1 19 19 THR CB C 13 69.711 0.00 . . . . . . . 277 THR CB . 50694 1 71 . 1 . 1 19 19 THR N N 15 109.678 0.01 . . . . . . . 277 THR N . 50694 1 72 . 1 . 1 21 21 LYS H H 1 7.578 0.00 . . . . . . . 279 LYS H . 50694 1 73 . 1 . 1 21 21 LYS C C 13 177.907 0.00 . . . . . . . 279 LYS CO . 50694 1 74 . 1 . 1 21 21 LYS CA C 13 57.591 0.00 . . . . . . . 279 LYS CA . 50694 1 75 . 1 . 1 21 21 LYS CB C 13 30.555 0.00 . . . . . . . 279 LYS CB . 50694 1 76 . 1 . 1 21 21 LYS N N 15 118.708 0.00 . . . . . . . 279 LYS N . 50694 1 77 . 1 . 1 22 22 ASP H H 1 7.560 0.02 . . . . . . . 280 ASP H . 50694 1 78 . 1 . 1 22 22 ASP C C 13 177.563 0.02 . . . . . . . 280 ASP CO . 50694 1 79 . 1 . 1 22 22 ASP CA C 13 55.351 0.01 . . . . . . . 280 ASP CA . 50694 1 80 . 1 . 1 22 22 ASP CB C 13 41.261 0.01 . . . . . . . 280 ASP CB . 50694 1 81 . 1 . 1 22 22 ASP N N 15 119.658 1.12 . . . . . . . 280 ASP N . 50694 1 82 . 1 . 1 23 23 VAL H H 1 7.711 0.20 . . . . . . . 281 VAL H . 50694 1 83 . 1 . 1 23 23 VAL C C 13 176.110 0.02 . . . . . . . 281 VAL CO . 50694 1 84 . 1 . 1 23 23 VAL CA C 13 65.873 0.00 . . . . . . . 281 VAL CA . 50694 1 85 . 1 . 1 23 23 VAL CB C 13 30.435 0.04 . . . . . . . 281 VAL CB . 50694 1 86 . 1 . 1 23 23 VAL N N 15 122.048 1.25 . . . . . . . 281 VAL N . 50694 1 87 . 1 . 1 24 24 ALA H H 1 8.140 0.20 . . . . . . . 282 ALA H . 50694 1 88 . 1 . 1 24 24 ALA C C 13 178.677 0.00 . . . . . . . 282 ALA CO . 50694 1 89 . 1 . 1 24 24 ALA CA C 13 55.379 0.09 . . . . . . . 282 ALA CA . 50694 1 90 . 1 . 1 24 24 ALA CB C 13 17.506 0.03 . . . . . . . 282 ALA CB . 50694 1 91 . 1 . 1 24 24 ALA N N 15 123.475 0.00 . . . . . . . 282 ALA N . 50694 1 92 . 1 . 1 25 25 SER H H 1 7.962 0.43 . . . . . . . 283 SER H . 50694 1 93 . 1 . 1 25 25 SER C C 13 177.768 0.15 . . . . . . . 283 SER CO . 50694 1 94 . 1 . 1 25 25 SER CA C 13 60.435 0.46 . . . . . . . 283 SER CA . 50694 1 95 . 1 . 1 25 25 SER CB C 13 62.326 0.26 . . . . . . . 283 SER CB . 50694 1 96 . 1 . 1 25 25 SER N N 15 116.044 0.00 . . . . . . . 283 SER N . 50694 1 97 . 1 . 1 26 26 ALA H H 1 7.807 0.40 . . . . . . . 284 ALA H . 50694 1 98 . 1 . 1 26 26 ALA C C 13 178.952 0.01 . . . . . . . 284 ALA CO . 50694 1 99 . 1 . 1 26 26 ALA CA C 13 55.246 0.03 . . . . . . . 284 ALA CA . 50694 1 100 . 1 . 1 26 26 ALA CB C 13 16.188 0.16 . . . . . . . 284 ALA CB . 50694 1 101 . 1 . 1 26 26 ALA N N 15 124.795 0.00 . . . . . . . 284 ALA N . 50694 1 102 . 1 . 1 27 27 LEU H H 1 8.257 0.01 . . . . . . . 285 LEU H . 50694 1 103 . 1 . 1 27 27 LEU C C 13 181.341 0.01 . . . . . . . 285 LEU CO . 50694 1 104 . 1 . 1 27 27 LEU CA C 13 57.270 0.01 . . . . . . . 285 LEU CA . 50694 1 105 . 1 . 1 27 27 LEU CB C 13 40.501 0.03 . . . . . . . 285 LEU CB . 50694 1 106 . 1 . 1 27 27 LEU N N 15 120.786 2.55 . . . . . . . 285 LEU N . 50694 1 107 . 1 . 1 28 28 ALA H H 1 7.876 0.43 . . . . . . . 286 ALA H . 50694 1 108 . 1 . 1 28 28 ALA C C 13 178.816 0.01 . . . . . . . 286 ALA CO . 50694 1 109 . 1 . 1 28 28 ALA CA C 13 54.207 0.02 . . . . . . . 286 ALA CA . 50694 1 110 . 1 . 1 28 28 ALA CB C 13 18.006 0.04 . . . . . . . 286 ALA CB . 50694 1 111 . 1 . 1 28 28 ALA N N 15 123.735 0.00 . . . . . . . 286 ALA N . 50694 1 112 . 1 . 1 29 29 ASN H H 1 7.480 0.12 . . . . . . . 287 ASN H . 50694 1 113 . 1 . 1 29 29 ASN C C 13 174.386 0.01 . . . . . . . 287 ASN CO . 50694 1 114 . 1 . 1 29 29 ASN CA C 13 53.569 0.04 . . . . . . . 287 ASN CA . 50694 1 115 . 1 . 1 29 29 ASN CB C 13 40.659 0.01 . . . . . . . 287 ASN CB . 50694 1 116 . 1 . 1 29 29 ASN N N 15 114.823 0.00 . . . . . . . 287 ASN N . 50694 1 117 . 1 . 1 30 30 GLY H H 1 7.831 0.26 . . . . . . . 288 GLY H . 50694 1 118 . 1 . 1 30 30 GLY C C 13 175.385 0.01 . . . . . . . 288 GLY CO . 50694 1 119 . 1 . 1 30 30 GLY CA C 13 45.749 0.02 . . . . . . . 288 GLY CA . 50694 1 120 . 1 . 1 30 30 GLY N N 15 105.272 0.00 . . . . . . . 288 GLY N . 50694 1 121 . 1 . 1 31 31 ALA H H 1 8.474 0.38 . . . . . . . 289 ALA H . 50694 1 122 . 1 . 1 31 31 ALA C C 13 177.757 0.01 . . . . . . . 289 ALA CO . 50694 1 123 . 1 . 1 31 31 ALA CA C 13 53.349 0.02 . . . . . . . 289 ALA CA . 50694 1 124 . 1 . 1 31 31 ALA CB C 13 19.469 0.24 . . . . . . . 289 ALA CB . 50694 1 125 . 1 . 1 31 31 ALA N N 15 121.177 0.43 . . . . . . . 289 ALA N . 50694 1 126 . 1 . 1 32 32 GLU H H 1 8.272 0.74 . . . . . . . 290 GLU H . 50694 1 127 . 1 . 1 32 32 GLU C C 13 174.606 0.03 . . . . . . . 290 GLU CO . 50694 1 128 . 1 . 1 32 32 GLU CA C 13 54.895 0.02 . . . . . . . 290 GLU CA . 50694 1 129 . 1 . 1 32 32 GLU CB C 13 28.747 0.01 . . . . . . . 290 GLU CB . 50694 1 130 . 1 . 1 32 32 GLU N N 15 121.706 0.00 . . . . . . . 290 GLU N . 50694 1 131 . 1 . 1 33 33 GLY H H 1 8.277 1.04 . . . . . . . 291 GLY H . 50694 1 132 . 1 . 1 33 33 GLY C C 13 172.171 0.01 . . . . . . . 291 GLY CO . 50694 1 133 . 1 . 1 33 33 GLY CA C 13 44.289 0.01 . . . . . . . 291 GLY CA . 50694 1 134 . 1 . 1 33 33 GLY N N 15 102.348 0.00 . . . . . . . 291 GLY N . 50694 1 135 . 1 . 1 34 34 VAL H H 1 8.920 0.73 . . . . . . . 292 VAL H . 50694 1 136 . 1 . 1 34 34 VAL C C 13 175.408 0.02 . . . . . . . 292 VAL CO . 50694 1 137 . 1 . 1 34 34 VAL CA C 13 60.287 0.01 . . . . . . . 292 VAL CA . 50694 1 138 . 1 . 1 34 34 VAL CB C 13 34.101 0.21 . . . . . . . 292 VAL CB . 50694 1 139 . 1 . 1 34 34 VAL N N 15 122.547 1.77 . . . . . . . 292 VAL N . 50694 1 140 . 1 . 1 35 35 GLY H H 1 7.573 0.62 . . . . . . . 293 GLY H . 50694 1 141 . 1 . 1 35 35 GLY C C 13 173.562 0.05 . . . . . . . 293 GLY CO . 50694 1 142 . 1 . 1 35 35 GLY CA C 13 45.531 0.00 . . . . . . . 293 GLY CA . 50694 1 143 . 1 . 1 35 35 GLY N N 15 119.552 1.11 . . . . . . . 293 GLY N . 50694 1 144 . 1 . 1 36 36 LEU H H 1 7.567 0.87 . . . . . . . 294 LEU H . 50694 1 145 . 1 . 1 36 36 LEU C C 13 172.322 0.00 . . . . . . . 294 LEU CO . 50694 1 146 . 1 . 1 36 36 LEU CA C 13 56.123 0.00 . . . . . . . 294 LEU CA . 50694 1 147 . 1 . 1 36 36 LEU CB C 13 40.852 0.02 . . . . . . . 294 LEU CB . 50694 1 148 . 1 . 1 36 36 LEU N N 15 118.168 0.00 . . . . . . . 294 LEU N . 50694 1 149 . 1 . 1 37 37 PHE H H 1 8.523 0.06 . . . . . . . 295 PHE H . 50694 1 150 . 1 . 1 37 37 PHE C C 13 174.809 0.01 . . . . . . . 295 PHE CO . 50694 1 151 . 1 . 1 37 37 PHE CA C 13 52.448 0.03 . . . . . . . 295 PHE CA . 50694 1 152 . 1 . 1 37 37 PHE CB C 13 36.373 0.09 . . . . . . . 295 PHE CB . 50694 1 153 . 1 . 1 37 37 PHE N N 15 128.276 2.99 . . . . . . . 295 PHE N . 50694 1 154 . 1 . 1 38 38 ARG H H 1 8.663 0.24 . . . . . . . 296 ARG H . 50694 1 155 . 1 . 1 38 38 ARG C C 13 176.977 0.01 . . . . . . . 296 ARG CO . 50694 1 156 . 1 . 1 38 38 ARG CA C 13 56.459 0.03 . . . . . . . 296 ARG CA . 50694 1 157 . 1 . 1 38 38 ARG CB C 13 29.843 0.23 . . . . . . . 296 ARG CB . 50694 1 158 . 1 . 1 38 38 ARG N N 15 124.842 0.00 . . . . . . . 296 ARG N . 50694 1 159 . 1 . 1 39 39 THR H H 1 8.553 0.46 . . . . . . . 297 THR H . 50694 1 160 . 1 . 1 39 39 THR C C 13 175.529 0.03 . . . . . . . 297 THR CO . 50694 1 161 . 1 . 1 39 39 THR CA C 13 61.397 0.04 . . . . . . . 297 THR CA . 50694 1 162 . 1 . 1 39 39 THR CB C 13 68.685 0.00 . . . . . . . 297 THR CB . 50694 1 163 . 1 . 1 39 39 THR N N 15 109.240 0.00 . . . . . . . 297 THR N . 50694 1 164 . 1 . 1 40 40 GLU H H 1 8.619 0.69 . . . . . . . 298 GLU H . 50694 1 165 . 1 . 1 40 40 GLU C C 13 179.546 0.09 . . . . . . . 298 GLU CO . 50694 1 166 . 1 . 1 40 40 GLU CA C 13 61.606 0.02 . . . . . . . 298 GLU CA . 50694 1 167 . 1 . 1 40 40 GLU CB C 13 29.419 0.38 . . . . . . . 298 GLU CB . 50694 1 168 . 1 . 1 40 40 GLU N N 15 120.340 1.79 . . . . . . . 298 GLU N . 50694 1 169 . 1 . 1 41 41 PHE H H 1 8.183 1.42 . . . . . . . 299 PHE H . 50694 1 170 . 1 . 1 41 41 PHE C C 13 177.000 0.00 . . . . . . . 299 PHE CO . 50694 1 171 . 1 . 1 41 41 PHE CA C 13 59.162 0.00 . . . . . . . 299 PHE CA . 50694 1 172 . 1 . 1 41 41 PHE CB C 13 36.636 0.02 . . . . . . . 299 PHE CB . 50694 1 173 . 1 . 1 41 41 PHE N N 15 120.360 2.36 . . . . . . . 299 PHE N . 50694 1 174 . 1 . 1 42 42 LEU H H 1 6.974 0.60 . . . . . . . 300 LEU H . 50694 1 175 . 1 . 1 42 42 LEU C C 13 174.639 0.03 . . . . . . . 300 LEU CO . 50694 1 176 . 1 . 1 42 42 LEU CA C 13 56.061 0.01 . . . . . . . 300 LEU CA . 50694 1 177 . 1 . 1 42 42 LEU CB C 13 41.350 0.00 . . . . . . . 300 LEU CB . 50694 1 178 . 1 . 1 42 42 LEU N N 15 123.099 0.00 . . . . . . . 300 LEU N . 50694 1 179 . 1 . 1 43 43 TYR H H 1 7.596 0.26 . . . . . . . 301 TYR H . 50694 1 180 . 1 . 1 43 43 TYR C C 13 176.376 0.04 . . . . . . . 301 TYR CO . 50694 1 181 . 1 . 1 43 43 TYR CA C 13 57.831 0.01 . . . . . . . 301 TYR CA . 50694 1 182 . 1 . 1 43 43 TYR CB C 13 39.885 0.07 . . . . . . . 301 TYR CB . 50694 1 183 . 1 . 1 43 43 TYR N N 15 116.175 1.91 . . . . . . . 301 TYR N . 50694 1 184 . 1 . 1 44 44 MET H H 1 7.299 0.00 . . . . . . . 302 MET H . 50694 1 185 . 1 . 1 44 44 MET C C 13 175.696 0.00 . . . . . . . 302 MET CO . 50694 1 186 . 1 . 1 44 44 MET CA C 13 55.035 0.00 . . . . . . . 302 MET CA . 50694 1 187 . 1 . 1 44 44 MET CB C 13 33.361 0.00 . . . . . . . 302 MET CB . 50694 1 188 . 1 . 1 44 44 MET N N 15 118.383 0.03 . . . . . . . 302 MET N . 50694 1 189 . 1 . 1 47 47 ASN H H 1 8.765 0.00 . . . . . . . 305 ASN H . 50694 1 190 . 1 . 1 47 47 ASN C C 13 173.286 0.00 . . . . . . . 305 ASN CO . 50694 1 191 . 1 . 1 47 47 ASN CA C 13 58.422 0.00 . . . . . . . 305 ASN CA . 50694 1 192 . 1 . 1 47 47 ASN N N 15 119.130 0.05 . . . . . . . 305 ASN N . 50694 1 193 . 1 . 1 48 48 SER H H 1 8.650 0.14 . . . . . . . 306 SER H . 50694 1 194 . 1 . 1 48 48 SER C C 13 174.280 0.01 . . . . . . . 306 SER CO . 50694 1 195 . 1 . 1 48 48 SER CA C 13 56.182 0.00 . . . . . . . 306 SER CA . 50694 1 196 . 1 . 1 48 48 SER CB C 13 63.874 0.08 . . . . . . . 306 SER CB . 50694 1 197 . 1 . 1 48 48 SER N N 15 120.764 1.83 . . . . . . . 306 SER N . 50694 1 198 . 1 . 1 49 49 LEU H H 1 8.492 0.00 . . . . . . . 307 LEU H . 50694 1 199 . 1 . 1 49 49 LEU C C 13 175.866 0.00 . . . . . . . 307 LEU CO . 50694 1 200 . 1 . 1 49 49 LEU CA C 13 53.964 0.00 . . . . . . . 307 LEU CA . 50694 1 201 . 1 . 1 49 49 LEU CB C 13 36.805 0.00 . . . . . . . 307 LEU CB . 50694 1 202 . 1 . 1 49 49 LEU N N 15 122.903 0.03 . . . . . . . 307 LEU N . 50694 1 203 . 1 . 1 52 52 GLU H H 1 8.393 0.00 . . . . . . . 310 GLU H . 50694 1 204 . 1 . 1 52 52 GLU C C 13 178.380 0.00 . . . . . . . 310 GLU CO . 50694 1 205 . 1 . 1 52 52 GLU CA C 13 59.711 0.00 . . . . . . . 310 GLU CA . 50694 1 206 . 1 . 1 52 52 GLU CB C 13 29.697 0.00 . . . . . . . 310 GLU CB . 50694 1 207 . 1 . 1 52 52 GLU N N 15 117.774 0.01 . . . . . . . 310 GLU N . 50694 1 208 . 1 . 1 53 53 GLU H H 1 8.204 0.22 . . . . . . . 311 GLU H . 50694 1 209 . 1 . 1 53 53 GLU C C 13 178.173 0.01 . . . . . . . 311 GLU CO . 50694 1 210 . 1 . 1 53 53 GLU CA C 13 59.254 0.03 . . . . . . . 311 GLU CA . 50694 1 211 . 1 . 1 53 53 GLU CB C 13 28.799 0.28 . . . . . . . 311 GLU CB . 50694 1 212 . 1 . 1 53 53 GLU N N 15 119.209 1.66 . . . . . . . 311 GLU N . 50694 1 213 . 1 . 1 54 54 GLU H H 1 7.844 0.13 . . . . . . . 312 GLU H . 50694 1 214 . 1 . 1 54 54 GLU C C 13 179.990 0.01 . . . . . . . 312 GLU CO . 50694 1 215 . 1 . 1 54 54 GLU CA C 13 58.490 0.04 . . . . . . . 312 GLU CA . 50694 1 216 . 1 . 1 54 54 GLU CB C 13 28.313 0.06 . . . . . . . 312 GLU CB . 50694 1 217 . 1 . 1 54 54 GLU N N 15 119.647 1.69 . . . . . . . 312 GLU N . 50694 1 218 . 1 . 1 55 55 GLN H H 1 7.698 0.01 . . . . . . . 313 GLN H . 50694 1 219 . 1 . 1 55 55 GLN C C 13 175.053 0.00 . . . . . . . 313 GLN CO . 50694 1 220 . 1 . 1 55 55 GLN CA C 13 58.445 0.00 . . . . . . . 313 GLN CA . 50694 1 221 . 1 . 1 55 55 GLN CB C 13 28.933 0.00 . . . . . . . 313 GLN CB . 50694 1 222 . 1 . 1 55 55 GLN N N 15 117.665 0.04 . . . . . . . 313 GLN N . 50694 1 223 . 1 . 1 56 56 PHE H H 1 8.220 0.00 . . . . . . . 314 PHE H . 50694 1 224 . 1 . 1 56 56 PHE C C 13 175.876 0.00 . . . . . . . 314 PHE CO . 50694 1 225 . 1 . 1 56 56 PHE CA C 13 60.232 0.00 . . . . . . . 314 PHE CA . 50694 1 226 . 1 . 1 56 56 PHE CB C 13 38.715 0.00 . . . . . . . 314 PHE CB . 50694 1 227 . 1 . 1 56 56 PHE N N 15 117.296 0.00 . . . . . . . 314 PHE N . 50694 1 228 . 1 . 1 57 57 GLU H H 1 7.728 0.57 . . . . . . . 315 GLU H . 50694 1 229 . 1 . 1 57 57 GLU C C 13 179.522 0.00 . . . . . . . 315 GLU CO . 50694 1 230 . 1 . 1 57 57 GLU CA C 13 58.941 0.02 . . . . . . . 315 GLU CA . 50694 1 231 . 1 . 1 57 57 GLU CB C 13 28.280 0.10 . . . . . . . 315 GLU CB . 50694 1 232 . 1 . 1 57 57 GLU N N 15 119.787 2.86 . . . . . . . 315 GLU N . 50694 1 233 . 1 . 1 58 58 ALA H H 1 7.637 0.65 . . . . . . . 316 ALA H . 50694 1 234 . 1 . 1 58 58 ALA C C 13 179.071 0.01 . . . . . . . 316 ALA CO . 50694 1 235 . 1 . 1 58 58 ALA CA C 13 54.516 0.03 . . . . . . . 316 ALA CA . 50694 1 236 . 1 . 1 58 58 ALA CB C 13 18.526 0.45 . . . . . . . 316 ALA CB . 50694 1 237 . 1 . 1 58 58 ALA N N 15 123.073 0.00 . . . . . . . 316 ALA N . 50694 1 238 . 1 . 1 59 59 TYR H H 1 8.748 0.41 . . . . . . . 317 TYR H . 50694 1 239 . 1 . 1 59 59 TYR C C 13 178.172 0.01 . . . . . . . 317 TYR CO . 50694 1 240 . 1 . 1 59 59 TYR CA C 13 57.270 0.00 . . . . . . . 317 TYR CA . 50694 1 241 . 1 . 1 59 59 TYR CB C 13 36.261 0.05 . . . . . . . 317 TYR CB . 50694 1 242 . 1 . 1 59 59 TYR N N 15 118.025 1.43 . . . . . . . 317 TYR N . 50694 1 243 . 1 . 1 60 60 LYS H H 1 8.305 1.06 . . . . . . . 318 LYS H . 50694 1 244 . 1 . 1 60 60 LYS C C 13 178.542 0.34 . . . . . . . 318 LYS CO . 50694 1 245 . 1 . 1 60 60 LYS CA C 13 59.477 0.14 . . . . . . . 318 LYS CA . 50694 1 246 . 1 . 1 60 60 LYS CB C 13 30.664 0.05 . . . . . . . 318 LYS CB . 50694 1 247 . 1 . 1 60 60 LYS N N 15 120.054 0.44 . . . . . . . 318 LYS N . 50694 1 248 . 1 . 1 61 61 GLU H H 1 7.071 0.01 . . . . . . . 319 GLU H . 50694 1 249 . 1 . 1 61 61 GLU C C 13 179.171 0.40 . . . . . . . 319 GLU CO . 50694 1 250 . 1 . 1 61 61 GLU CA C 13 58.700 0.15 . . . . . . . 319 GLU CA . 50694 1 251 . 1 . 1 61 61 GLU CB C 13 28.673 0.02 . . . . . . . 319 GLU CB . 50694 1 252 . 1 . 1 61 61 GLU N N 15 119.053 1.74 . . . . . . . 319 GLU N . 50694 1 253 . 1 . 1 62 62 VAL H H 1 7.572 0.60 . . . . . . . 320 VAL H . 50694 1 254 . 1 . 1 62 62 VAL C C 13 177.069 0.01 . . . . . . . 320 VAL CO . 50694 1 255 . 1 . 1 62 62 VAL CA C 13 66.186 0.03 . . . . . . . 320 VAL CA . 50694 1 256 . 1 . 1 62 62 VAL CB C 13 30.668 0.12 . . . . . . . 320 VAL CB . 50694 1 257 . 1 . 1 62 62 VAL N N 15 117.480 0.48 . . . . . . . 320 VAL N . 50694 1 258 . 1 . 1 63 63 VAL H H 1 8.595 0.39 . . . . . . . 321 VAL H . 50694 1 259 . 1 . 1 63 63 VAL C C 13 179.435 0.00 . . . . . . . 321 VAL CO . 50694 1 260 . 1 . 1 63 63 VAL CA C 13 66.193 0.01 . . . . . . . 321 VAL CA . 50694 1 261 . 1 . 1 63 63 VAL CB C 13 31.210 0.32 . . . . . . . 321 VAL CB . 50694 1 262 . 1 . 1 63 63 VAL N N 15 118.949 1.04 . . . . . . . 321 VAL N . 50694 1 263 . 1 . 1 64 64 GLU H H 1 7.967 1.24 . . . . . . . 322 GLU H . 50694 1 264 . 1 . 1 64 64 GLU C C 13 179.932 0.76 . . . . . . . 322 GLU CO . 50694 1 265 . 1 . 1 64 64 GLU CA C 13 59.232 0.12 . . . . . . . 322 GLU CA . 50694 1 266 . 1 . 1 64 64 GLU CB C 13 28.507 0.63 . . . . . . . 322 GLU CB . 50694 1 267 . 1 . 1 64 64 GLU N N 15 119.746 0.45 . . . . . . . 322 GLU N . 50694 1 268 . 1 . 1 65 65 LYS H H 1 7.037 0.58 . . . . . . . 323 LYS H . 50694 1 269 . 1 . 1 65 65 LYS C C 13 178.497 0.11 . . . . . . . 323 LYS CO . 50694 1 270 . 1 . 1 65 65 LYS CA C 13 57.864 0.57 . . . . . . . 323 LYS CA . 50694 1 271 . 1 . 1 65 65 LYS CB C 13 31.189 0.61 . . . . . . . 323 LYS CB . 50694 1 272 . 1 . 1 65 65 LYS N N 15 117.366 2.18 . . . . . . . 323 LYS N . 50694 1 273 . 1 . 1 66 66 MET H H 1 7.775 0.08 . . . . . . . 324 MET H . 50694 1 274 . 1 . 1 66 66 MET C C 13 180.391 0.01 . . . . . . . 324 MET CO . 50694 1 275 . 1 . 1 66 66 MET CA C 13 54.364 0.01 . . . . . . . 324 MET CA . 50694 1 276 . 1 . 1 66 66 MET CB C 13 30.088 0.16 . . . . . . . 324 MET CB . 50694 1 277 . 1 . 1 66 66 MET N N 15 113.380 1.71 . . . . . . . 324 MET N . 50694 1 278 . 1 . 1 67 67 GLY H H 1 8.002 0.23 . . . . . . . 325 GLY H . 50694 1 279 . 1 . 1 67 67 GLY C C 13 175.108 0.02 . . . . . . . 325 GLY CO . 50694 1 280 . 1 . 1 67 67 GLY CA C 13 48.234 0.00 . . . . . . . 325 GLY CA . 50694 1 281 . 1 . 1 67 67 GLY N N 15 110.977 0.73 . . . . . . . 325 GLY N . 50694 1 282 . 1 . 1 68 68 GLY H H 1 7.978 0.51 . . . . . . . 326 GLY H . 50694 1 283 . 1 . 1 68 68 GLY C C 13 174.807 0.18 . . . . . . . 326 GLY CO . 50694 1 284 . 1 . 1 68 68 GLY CA C 13 44.751 0.02 . . . . . . . 326 GLY CA . 50694 1 285 . 1 . 1 68 68 GLY N N 15 109.759 0.00 . . . . . . . 326 GLY N . 50694 1 286 . 1 . 1 69 69 ARG H H 1 7.350 0.00 . . . . . . . 327 ARG H . 50694 1 287 . 1 . 1 69 69 ARG C C 13 173.767 0.00 . . . . . . . 327 ARG CO . 50694 1 288 . 1 . 1 69 69 ARG CA C 13 54.047 0.00 . . . . . . . 327 ARG CA . 50694 1 289 . 1 . 1 69 69 ARG CB C 13 28.488 0.00 . . . . . . . 327 ARG CB . 50694 1 290 . 1 . 1 69 69 ARG N N 15 123.341 0.01 . . . . . . . 327 ARG N . 50694 1 291 . 1 . 1 70 70 PRO C C 13 176.420 0.00 . . . . . . . 328 PRO CO . 50694 1 292 . 1 . 1 70 70 PRO CA C 13 62.716 0.00 . . . . . . . 328 PRO CA . 50694 1 293 . 1 . 1 70 70 PRO CB C 13 31.016 0.00 . . . . . . . 328 PRO CB . 50694 1 294 . 1 . 1 70 70 PRO N N 15 123.674 0.02 . . . . . . . 328 PRO N . 50694 1 295 . 1 . 1 71 71 VAL H H 1 8.866 0.01 . . . . . . . 329 VAL H . 50694 1 296 . 1 . 1 71 71 VAL C C 13 175.201 1.22 . . . . . . . 329 VAL CO . 50694 1 297 . 1 . 1 71 71 VAL CA C 13 60.748 0.00 . . . . . . . 329 VAL CA . 50694 1 298 . 1 . 1 71 71 VAL CB C 13 33.017 0.03 . . . . . . . 329 VAL CB . 50694 1 299 . 1 . 1 71 71 VAL N N 15 124.898 1.39 . . . . . . . 329 VAL N . 50694 1 300 . 1 . 1 72 72 THR H H 1 8.913 0.04 . . . . . . . 330 THR H . 50694 1 301 . 1 . 1 72 72 THR C C 13 172.863 0.01 . . . . . . . 330 THR CO . 50694 1 302 . 1 . 1 72 72 THR CA C 13 60.888 0.03 . . . . . . . 330 THR CA . 50694 1 303 . 1 . 1 72 72 THR CB C 13 67.764 0.29 . . . . . . . 330 THR CB . 50694 1 304 . 1 . 1 72 72 THR N N 15 127.628 1.29 . . . . . . . 330 THR N . 50694 1 305 . 1 . 1 73 73 ILE H H 1 8.627 0.38 . . . . . . . 331 ILE H . 50694 1 306 . 1 . 1 73 73 ILE C C 13 173.905 0.01 . . . . . . . 331 ILE CO . 50694 1 307 . 1 . 1 73 73 ILE CA C 13 61.948 0.02 . . . . . . . 331 ILE CA . 50694 1 308 . 1 . 1 73 73 ILE CB C 13 36.660 0.09 . . . . . . . 331 ILE CB . 50694 1 309 . 1 . 1 73 73 ILE N N 15 129.578 0.49 . . . . . . . 331 ILE N . 50694 1 310 . 1 . 1 74 74 ARG H H 1 8.299 0.13 . . . . . . . 332 ARG H . 50694 1 311 . 1 . 1 74 74 ARG C C 13 176.506 0.02 . . . . . . . 332 ARG CO . 50694 1 312 . 1 . 1 74 74 ARG CA C 13 53.225 0.02 . . . . . . . 332 ARG CA . 50694 1 313 . 1 . 1 74 74 ARG CB C 13 31.754 0.07 . . . . . . . 332 ARG CB . 50694 1 314 . 1 . 1 74 74 ARG N N 15 119.253 0.00 . . . . . . . 332 ARG N . 50694 1 315 . 1 . 1 75 75 THR H H 1 8.615 0.19 . . . . . . . 333 THR H . 50694 1 316 . 1 . 1 75 75 THR C C 13 173.384 0.02 . . . . . . . 333 THR CO . 50694 1 317 . 1 . 1 75 75 THR CA C 13 63.049 0.02 . . . . . . . 333 THR CA . 50694 1 318 . 1 . 1 75 75 THR CB C 13 67.725 0.32 . . . . . . . 333 THR CB . 50694 1 319 . 1 . 1 75 75 THR N N 15 120.439 0.43 . . . . . . . 333 THR N . 50694 1 320 . 1 . 1 76 76 LEU H H 1 8.802 0.03 . . . . . . . 334 LEU H . 50694 1 321 . 1 . 1 76 76 LEU C C 13 175.503 0.43 . . . . . . . 334 LEU CO . 50694 1 322 . 1 . 1 76 76 LEU CA C 13 55.747 0.72 . . . . . . . 334 LEU CA . 50694 1 323 . 1 . 1 76 76 LEU CB C 13 40.231 0.45 . . . . . . . 334 LEU CB . 50694 1 324 . 1 . 1 76 76 LEU N N 15 120.175 0.89 . . . . . . . 334 LEU N . 50694 1 325 . 1 . 1 77 77 ASP H H 1 8.289 0.55 . . . . . . . 335 ASP H . 50694 1 326 . 1 . 1 77 77 ASP C C 13 177.168 1.31 . . . . . . . 335 ASP CO . 50694 1 327 . 1 . 1 77 77 ASP CA C 13 58.223 2.02 . . . . . . . 335 ASP CA . 50694 1 328 . 1 . 1 77 77 ASP CB C 13 38.980 0.01 . . . . . . . 335 ASP CB . 50694 1 329 . 1 . 1 77 77 ASP N N 15 120.797 1.93 . . . . . . . 335 ASP N . 50694 1 330 . 1 . 1 78 78 ILE H H 1 7.659 0.00 . . . . . . . 336 ILE H . 50694 1 331 . 1 . 1 78 78 ILE CA C 13 64.539 0.00 . . . . . . . 336 ILE CA . 50694 1 332 . 1 . 1 78 78 ILE CB C 13 37.595 0.00 . . . . . . . 336 ILE CB . 50694 1 333 . 1 . 1 78 78 ILE N N 15 123.037 0.02 . . . . . . . 336 ILE N . 50694 1 334 . 1 . 1 81 81 ASP H H 1 7.630 0.00 . . . . . . . 339 ASP H . 50694 1 335 . 1 . 1 81 81 ASP C C 13 174.058 0.00 . . . . . . . 339 ASP CO . 50694 1 336 . 1 . 1 81 81 ASP CA C 13 55.642 0.00 . . . . . . . 339 ASP CA . 50694 1 337 . 1 . 1 81 81 ASP CB C 13 37.130 0.00 . . . . . . . 339 ASP CB . 50694 1 338 . 1 . 1 81 81 ASP N N 15 120.305 0.02 . . . . . . . 339 ASP N . 50694 1 339 . 1 . 1 82 82 LYS H H 1 7.895 0.31 . . . . . . . 340 LYS H . 50694 1 340 . 1 . 1 82 82 LYS C C 13 176.166 0.01 . . . . . . . 340 LYS CO . 50694 1 341 . 1 . 1 82 82 LYS CA C 13 55.752 0.21 . . . . . . . 340 LYS CA . 50694 1 342 . 1 . 1 82 82 LYS CB C 13 31.399 0.00 . . . . . . . 340 LYS CB . 50694 1 343 . 1 . 1 82 82 LYS N N 15 120.656 0.41 . . . . . . . 340 LYS N . 50694 1 344 . 1 . 1 83 83 GLU H H 1 8.256 0.00 . . . . . . . 341 GLU H . 50694 1 345 . 1 . 1 83 83 GLU CA C 13 55.639 0.00 . . . . . . . 341 GLU CA . 50694 1 346 . 1 . 1 83 83 GLU N N 15 121.154 0.02 . . . . . . . 341 GLU N . 50694 1 347 . 1 . 1 86 86 TYR H H 1 8.677 0.00 . . . . . . . 344 TYR H . 50694 1 348 . 1 . 1 86 86 TYR C C 13 173.019 0.00 . . . . . . . 344 TYR CO . 50694 1 349 . 1 . 1 86 86 TYR CA C 13 55.698 0.00 . . . . . . . 344 TYR CA . 50694 1 350 . 1 . 1 86 86 TYR CB C 13 41.134 0.00 . . . . . . . 344 TYR CB . 50694 1 351 . 1 . 1 86 86 TYR N N 15 120.899 0.01 . . . . . . . 344 TYR N . 50694 1 352 . 1 . 1 87 87 LEU H H 1 8.675 0.00 . . . . . . . 345 LEU H . 50694 1 353 . 1 . 1 87 87 LEU C C 13 176.190 0.00 . . . . . . . 345 LEU CO . 50694 1 354 . 1 . 1 87 87 LEU CA C 13 52.772 0.00 . . . . . . . 345 LEU CA . 50694 1 355 . 1 . 1 87 87 LEU CB C 13 40.352 0.00 . . . . . . . 345 LEU CB . 50694 1 356 . 1 . 1 87 87 LEU N N 15 120.898 0.01 . . . . . . . 345 LEU N . 50694 1 357 . 1 . 1 97 97 LEU H H 1 8.017 0.00 . . . . . . . 355 LEU H . 50694 1 358 . 1 . 1 97 97 LEU C C 13 175.989 0.00 . . . . . . . 355 LEU CO . 50694 1 359 . 1 . 1 97 97 LEU CA C 13 60.775 0.00 . . . . . . . 355 LEU CA . 50694 1 360 . 1 . 1 97 97 LEU CB C 13 37.947 0.00 . . . . . . . 355 LEU CB . 50694 1 361 . 1 . 1 97 97 LEU N N 15 119.136 0.00 . . . . . . . 355 LEU N . 50694 1 362 . 1 . 1 98 98 GLY H H 1 8.018 0.00 . . . . . . . 356 GLY H . 50694 1 363 . 1 . 1 98 98 GLY C C 13 179.284 0.00 . . . . . . . 356 GLY CO . 50694 1 364 . 1 . 1 98 98 GLY CA C 13 45.955 0.00 . . . . . . . 356 GLY CA . 50694 1 365 . 1 . 1 98 98 GLY N N 15 119.126 0.01 . . . . . . . 356 GLY N . 50694 1 366 . 1 . 1 100 100 ARG H H 1 8.673 0.00 . . . . . . . 358 ARG H . 50694 1 367 . 1 . 1 100 100 ARG C C 13 178.369 0.00 . . . . . . . 358 ARG CO . 50694 1 368 . 1 . 1 100 100 ARG CA C 13 57.280 0.00 . . . . . . . 358 ARG CA . 50694 1 369 . 1 . 1 100 100 ARG CB C 13 31.486 0.00 . . . . . . . 358 ARG CB . 50694 1 370 . 1 . 1 100 100 ARG N N 15 123.592 0.01 . . . . . . . 358 ARG N . 50694 1 371 . 1 . 1 101 101 ALA H H 1 8.025 0.64 . . . . . . . 359 ALA H . 50694 1 372 . 1 . 1 101 101 ALA C C 13 181.588 0.00 . . . . . . . 359 ALA CO . 50694 1 373 . 1 . 1 101 101 ALA CA C 13 54.691 0.09 . . . . . . . 359 ALA CA . 50694 1 374 . 1 . 1 101 101 ALA CB C 13 17.645 0.01 . . . . . . . 359 ALA CB . 50694 1 375 . 1 . 1 101 101 ALA N N 15 121.191 2.40 . . . . . . . 359 ALA N . 50694 1 376 . 1 . 1 102 102 ILE H H 1 7.381 0.00 . . . . . . . 360 ILE H . 50694 1 377 . 1 . 1 102 102 ILE C C 13 177.857 0.00 . . . . . . . 360 ILE CO . 50694 1 378 . 1 . 1 102 102 ILE CA C 13 60.941 0.00 . . . . . . . 360 ILE CA . 50694 1 379 . 1 . 1 102 102 ILE CB C 13 34.537 0.00 . . . . . . . 360 ILE CB . 50694 1 380 . 1 . 1 102 102 ILE N N 15 118.855 0.05 . . . . . . . 360 ILE N . 50694 1 381 . 1 . 1 103 103 ARG H H 1 9.300 0.00 . . . . . . . 361 ARG H . 50694 1 382 . 1 . 1 103 103 ARG C C 13 172.701 0.00 . . . . . . . 361 ARG CO . 50694 1 383 . 1 . 1 103 103 ARG CA C 13 54.232 0.00 . . . . . . . 361 ARG CA . 50694 1 384 . 1 . 1 103 103 ARG CB C 13 31.779 0.00 . . . . . . . 361 ARG CB . 50694 1 385 . 1 . 1 103 103 ARG N N 15 128.665 0.01 . . . . . . . 361 ARG N . 50694 1 386 . 1 . 1 104 104 LEU H H 1 9.295 0.01 . . . . . . . 362 LEU H . 50694 1 387 . 1 . 1 104 104 LEU C C 13 176.065 0.00 . . . . . . . 362 LEU CO . 50694 1 388 . 1 . 1 104 104 LEU CA C 13 54.945 0.00 . . . . . . . 362 LEU CA . 50694 1 389 . 1 . 1 104 104 LEU CB C 13 40.014 0.00 . . . . . . . 362 LEU CB . 50694 1 390 . 1 . 1 104 104 LEU N N 15 128.668 0.02 . . . . . . . 362 LEU N . 50694 1 391 . 1 . 1 105 105 CYS H H 1 7.180 0.00 . . . . . . . 363 CYS H . 50694 1 392 . 1 . 1 105 105 CYS C C 13 175.112 0.00 . . . . . . . 363 CYS CO . 50694 1 393 . 1 . 1 105 105 CYS CA C 13 56.367 0.00 . . . . . . . 363 CYS CA . 50694 1 394 . 1 . 1 105 105 CYS CB C 13 32.453 0.00 . . . . . . . 363 CYS CB . 50694 1 395 . 1 . 1 105 105 CYS N N 15 115.131 0.00 . . . . . . . 363 CYS N . 50694 1 396 . 1 . 1 106 106 LEU H H 1 7.181 0.00 . . . . . . . 364 LEU H . 50694 1 397 . 1 . 1 106 106 LEU C C 13 173.021 0.00 . . . . . . . 364 LEU CO . 50694 1 398 . 1 . 1 106 106 LEU CA C 13 55.703 0.00 . . . . . . . 364 LEU CA . 50694 1 399 . 1 . 1 106 106 LEU CB C 13 40.639 0.00 . . . . . . . 364 LEU CB . 50694 1 400 . 1 . 1 106 106 LEU N N 15 115.147 0.02 . . . . . . . 364 LEU N . 50694 1 401 . 1 . 1 110 110 ASP H H 1 8.321 0.00 . . . . . . . 368 ASP H . 50694 1 402 . 1 . 1 110 110 ASP C C 13 175.137 0.00 . . . . . . . 368 ASP CO . 50694 1 403 . 1 . 1 110 110 ASP CA C 13 56.070 0.00 . . . . . . . 368 ASP CA . 50694 1 404 . 1 . 1 110 110 ASP N N 15 123.287 0.02 . . . . . . . 368 ASP N . 50694 1 405 . 1 . 1 111 111 ILE H H 1 8.116 0.29 . . . . . . . 369 ILE H . 50694 1 406 . 1 . 1 111 111 ILE C C 13 177.293 0.10 . . . . . . . 369 ILE CO . 50694 1 407 . 1 . 1 111 111 ILE CA C 13 59.192 0.00 . . . . . . . 369 ILE CA . 50694 1 408 . 1 . 1 111 111 ILE CB C 13 36.619 0.00 . . . . . . . 369 ILE CB . 50694 1 409 . 1 . 1 111 111 ILE N N 15 122.309 1.39 . . . . . . . 369 ILE N . 50694 1 410 . 1 . 1 112 112 PHE H H 1 7.757 0.06 . . . . . . . 370 PHE H . 50694 1 411 . 1 . 1 112 112 PHE C C 13 176.643 0.03 . . . . . . . 370 PHE CO . 50694 1 412 . 1 . 1 112 112 PHE CA C 13 58.645 0.04 . . . . . . . 370 PHE CA . 50694 1 413 . 1 . 1 112 112 PHE CB C 13 37.373 0.00 . . . . . . . 370 PHE CB . 50694 1 414 . 1 . 1 112 112 PHE N N 15 119.341 1.19 . . . . . . . 370 PHE N . 50694 1 415 . 1 . 1 113 113 LYS H H 1 7.807 0.02 . . . . . . . 371 LYS H . 50694 1 416 . 1 . 1 113 113 LYS C C 13 178.636 0.51 . . . . . . . 371 LYS CO . 50694 1 417 . 1 . 1 113 113 LYS CA C 13 61.198 0.78 . . . . . . . 371 LYS CA . 50694 1 418 . 1 . 1 113 113 LYS CB C 13 32.057 0.36 . . . . . . . 371 LYS CB . 50694 1 419 . 1 . 1 113 113 LYS N N 15 117.386 0.68 . . . . . . . 371 LYS N . 50694 1 420 . 1 . 1 114 114 THR H H 1 7.784 0.00 . . . . . . . 372 THR H . 50694 1 421 . 1 . 1 114 114 THR C C 13 177.979 0.00 . . . . . . . 372 THR CO . 50694 1 422 . 1 . 1 114 114 THR CA C 13 66.917 0.00 . . . . . . . 372 THR CA . 50694 1 423 . 1 . 1 114 114 THR CB C 13 68.325 0.00 . . . . . . . 372 THR CB . 50694 1 424 . 1 . 1 114 114 THR N N 15 116.565 0.02 . . . . . . . 372 THR N . 50694 1 425 . 1 . 1 116 116 LEU H H 1 8.527 0.00 . . . . . . . 374 LEU H . 50694 1 426 . 1 . 1 116 116 LEU C C 13 179.076 0.00 . . . . . . . 374 LEU CO . 50694 1 427 . 1 . 1 116 116 LEU CA C 13 57.606 0.00 . . . . . . . 374 LEU CA . 50694 1 428 . 1 . 1 116 116 LEU CB C 13 41.512 0.00 . . . . . . . 374 LEU CB . 50694 1 429 . 1 . 1 116 116 LEU N N 15 119.466 0.01 . . . . . . . 374 LEU N . 50694 1 430 . 1 . 1 117 117 ARG H H 1 8.527 0.00 . . . . . . . 375 ARG H . 50694 1 431 . 1 . 1 117 117 ARG CA C 13 60.330 0.00 . . . . . . . 375 ARG CA . 50694 1 432 . 1 . 1 117 117 ARG CB C 13 29.113 0.00 . . . . . . . 375 ARG CB . 50694 1 433 . 1 . 1 117 117 ARG N N 15 119.440 0.02 . . . . . . . 375 ARG N . 50694 1 434 . 1 . 1 119 119 ILE H H 1 7.794 0.00 . . . . . . . 377 ILE H . 50694 1 435 . 1 . 1 119 119 ILE C C 13 177.738 0.00 . . . . . . . 377 ILE CO . 50694 1 436 . 1 . 1 119 119 ILE CA C 13 62.203 0.00 . . . . . . . 377 ILE CA . 50694 1 437 . 1 . 1 119 119 ILE CB C 13 38.363 0.00 . . . . . . . 377 ILE CB . 50694 1 438 . 1 . 1 119 119 ILE N N 15 119.743 0.01 . . . . . . . 377 ILE N . 50694 1 439 . 1 . 1 120 120 LEU H H 1 7.794 0.00 . . . . . . . 378 LEU H . 50694 1 440 . 1 . 1 120 120 LEU C C 13 178.446 0.00 . . . . . . . 378 LEU CO . 50694 1 441 . 1 . 1 120 120 LEU CA C 13 55.317 0.00 . . . . . . . 378 LEU CA . 50694 1 442 . 1 . 1 120 120 LEU CB C 13 41.551 0.00 . . . . . . . 378 LEU CB . 50694 1 443 . 1 . 1 120 120 LEU N N 15 119.760 0.04 . . . . . . . 378 LEU N . 50694 1 444 . 1 . 1 123 123 SER H H 1 7.194 0.00 . . . . . . . 381 SER H . 50694 1 445 . 1 . 1 123 123 SER C C 13 173.852 0.00 . . . . . . . 381 SER CO . 50694 1 446 . 1 . 1 123 123 SER CA C 13 60.956 0.00 . . . . . . . 381 SER CA . 50694 1 447 . 1 . 1 123 123 SER CB C 13 63.525 0.00 . . . . . . . 381 SER CB . 50694 1 448 . 1 . 1 123 123 SER N N 15 122.098 0.01 . . . . . . . 381 SER N . 50694 1 449 . 1 . 1 124 124 ALA H H 1 7.614 0.49 . . . . . . . 382 ALA H . 50694 1 450 . 1 . 1 124 124 ALA C C 13 177.804 0.03 . . . . . . . 382 ALA CO . 50694 1 451 . 1 . 1 124 124 ALA CA C 13 52.559 0.02 . . . . . . . 382 ALA CA . 50694 1 452 . 1 . 1 124 124 ALA CB C 13 18.680 0.21 . . . . . . . 382 ALA CB . 50694 1 453 . 1 . 1 124 124 ALA N N 15 122.084 0.00 . . . . . . . 382 ALA N . 50694 1 454 . 1 . 1 125 125 TYR H H 1 7.728 0.52 . . . . . . . 383 TYR H . 50694 1 455 . 1 . 1 125 125 TYR C C 13 174.773 0.03 . . . . . . . 383 TYR CO . 50694 1 456 . 1 . 1 125 125 TYR CA C 13 58.123 0.01 . . . . . . . 383 TYR CA . 50694 1 457 . 1 . 1 125 125 TYR CB C 13 37.769 0.18 . . . . . . . 383 TYR CB . 50694 1 458 . 1 . 1 125 125 TYR N N 15 115.630 0.00 . . . . . . . 383 TYR N . 50694 1 459 . 1 . 1 126 126 GLY H H 1 7.620 0.60 . . . . . . . 384 GLY H . 50694 1 460 . 1 . 1 126 126 GLY C C 13 170.121 0.02 . . . . . . . 384 GLY CO . 50694 1 461 . 1 . 1 126 126 GLY CA C 13 45.758 0.02 . . . . . . . 384 GLY CA . 50694 1 462 . 1 . 1 126 126 GLY N N 15 108.409 0.00 . . . . . . . 384 GLY N . 50694 1 463 . 1 . 1 127 127 ASN H H 1 8.825 0.54 . . . . . . . 385 ASN H . 50694 1 464 . 1 . 1 127 127 ASN C C 13 172.889 0.04 . . . . . . . 385 ASN CO . 50694 1 465 . 1 . 1 127 127 ASN CA C 13 51.787 0.03 . . . . . . . 385 ASN CA . 50694 1 466 . 1 . 1 127 127 ASN CB C 13 38.293 0.11 . . . . . . . 385 ASN CB . 50694 1 467 . 1 . 1 127 127 ASN N N 15 125.078 1.62 . . . . . . . 385 ASN N . 50694 1 468 . 1 . 1 128 128 VAL H H 1 9.174 0.32 . . . . . . . 386 VAL H . 50694 1 469 . 1 . 1 128 128 VAL C C 13 174.594 0.00 . . . . . . . 386 VAL CO . 50694 1 470 . 1 . 1 128 128 VAL CA C 13 60.056 0.01 . . . . . . . 386 VAL CA . 50694 1 471 . 1 . 1 128 128 VAL CB C 13 34.223 0.03 . . . . . . . 386 VAL CB . 50694 1 472 . 1 . 1 128 128 VAL N N 15 125.192 2.02 . . . . . . . 386 VAL N . 50694 1 473 . 1 . 1 129 129 GLN H H 1 8.836 0.03 . . . . . . . 387 GLN H . 50694 1 474 . 1 . 1 129 129 GLN C C 13 174.036 0.01 . . . . . . . 387 GLN CO . 50694 1 475 . 1 . 1 129 129 GLN CA C 13 53.004 0.00 . . . . . . . 387 GLN CA . 50694 1 476 . 1 . 1 129 129 GLN CB C 13 30.599 0.20 . . . . . . . 387 GLN CB . 50694 1 477 . 1 . 1 129 129 GLN N N 15 122.802 0.10 . . . . . . . 387 GLN N . 50694 1 478 . 1 . 1 130 130 ILE H H 1 8.873 0.00 . . . . . . . 388 ILE H . 50694 1 479 . 1 . 1 130 130 ILE C C 13 173.638 0.00 . . . . . . . 388 ILE CO . 50694 1 480 . 1 . 1 130 130 ILE CA C 13 60.331 0.00 . . . . . . . 388 ILE CA . 50694 1 481 . 1 . 1 130 130 ILE CB C 13 39.680 0.00 . . . . . . . 388 ILE CB . 50694 1 482 . 1 . 1 130 130 ILE N N 15 122.691 0.02 . . . . . . . 388 ILE N . 50694 1 483 . 1 . 1 133 133 PRO C C 13 174.758 0.00 . . . . . . . 391 PRO CO . 50694 1 484 . 1 . 1 133 133 PRO CB C 13 31.423 0.00 . . . . . . . 391 PRO CB . 50694 1 485 . 1 . 1 133 133 PRO N N 15 119.150 0.02 . . . . . . . 391 PRO N . 50694 1 486 . 1 . 1 134 134 MET H H 1 7.790 0.00 . . . . . . . 392 MET H . 50694 1 487 . 1 . 1 134 134 MET C C 13 176.106 0.00 . . . . . . . 392 MET CO . 50694 1 488 . 1 . 1 134 134 MET CA C 13 53.921 0.00 . . . . . . . 392 MET CA . 50694 1 489 . 1 . 1 134 134 MET CB C 13 31.603 0.00 . . . . . . . 392 MET CB . 50694 1 490 . 1 . 1 134 134 MET N N 15 119.130 0.01 . . . . . . . 392 MET N . 50694 1 491 . 1 . 1 136 136 SER H H 1 7.549 0.00 . . . . . . . 394 SER H . 50694 1 492 . 1 . 1 136 136 SER C C 13 173.370 0.00 . . . . . . . 394 SER CO . 50694 1 493 . 1 . 1 136 136 SER CA C 13 57.611 0.00 . . . . . . . 394 SER CA . 50694 1 494 . 1 . 1 136 136 SER CB C 13 64.688 0.00 . . . . . . . 394 SER CB . 50694 1 495 . 1 . 1 136 136 SER N N 15 114.763 0.02 . . . . . . . 394 SER N . 50694 1 496 . 1 . 1 137 137 SER H H 1 8.038 0.69 . . . . . . . 395 SER H . 50694 1 497 . 1 . 1 137 137 SER C C 13 173.998 0.00 . . . . . . . 395 SER CO . 50694 1 498 . 1 . 1 137 137 SER CA C 13 56.254 0.03 . . . . . . . 395 SER CA . 50694 1 499 . 1 . 1 137 137 SER CB C 13 66.118 0.00 . . . . . . . 395 SER CB . 50694 1 500 . 1 . 1 137 137 SER N N 15 114.762 0.00 . . . . . . . 395 SER N . 50694 1 501 . 1 . 1 138 138 VAL H H 1 8.900 0.12 . . . . . . . 396 VAL H . 50694 1 502 . 1 . 1 138 138 VAL C C 13 177.150 0.37 . . . . . . . 396 VAL CO . 50694 1 503 . 1 . 1 138 138 VAL CA C 13 65.220 0.02 . . . . . . . 396 VAL CA . 50694 1 504 . 1 . 1 138 138 VAL CB C 13 29.849 0.03 . . . . . . . 396 VAL CB . 50694 1 505 . 1 . 1 138 138 VAL N N 15 122.247 1.28 . . . . . . . 396 VAL N . 50694 1 506 . 1 . 1 139 139 GLU H H 1 8.376 0.44 . . . . . . . 397 GLU H . 50694 1 507 . 1 . 1 139 139 GLU C C 13 179.628 0.09 . . . . . . . 397 GLU CO . 50694 1 508 . 1 . 1 139 139 GLU CA C 13 59.031 0.25 . . . . . . . 397 GLU CA . 50694 1 509 . 1 . 1 139 139 GLU CB C 13 28.495 0.60 . . . . . . . 397 GLU CB . 50694 1 510 . 1 . 1 139 139 GLU N N 15 121.658 1.06 . . . . . . . 397 GLU N . 50694 1 511 . 1 . 1 140 140 GLU H H 1 8.113 0.28 . . . . . . . 398 GLU H . 50694 1 512 . 1 . 1 140 140 GLU C C 13 179.557 0.00 . . . . . . . 398 GLU CO . 50694 1 513 . 1 . 1 140 140 GLU CA C 13 58.972 0.02 . . . . . . . 398 GLU CA . 50694 1 514 . 1 . 1 140 140 GLU CB C 13 29.200 0.54 . . . . . . . 398 GLU CB . 50694 1 515 . 1 . 1 140 140 GLU N N 15 121.963 1.07 . . . . . . . 398 GLU N . 50694 1 516 . 1 . 1 141 141 VAL H H 1 8.465 0.04 . . . . . . . 399 VAL H . 50694 1 517 . 1 . 1 141 141 VAL C C 13 179.611 0.42 . . . . . . . 399 VAL CO . 50694 1 518 . 1 . 1 141 141 VAL CA C 13 65.458 0.41 . . . . . . . 399 VAL CA . 50694 1 519 . 1 . 1 141 141 VAL CB C 13 30.131 0.32 . . . . . . . 399 VAL CB . 50694 1 520 . 1 . 1 141 141 VAL N N 15 121.356 0.76 . . . . . . . 399 VAL N . 50694 1 521 . 1 . 1 142 142 GLU H H 1 8.222 0.32 . . . . . . . 400 GLU H . 50694 1 522 . 1 . 1 142 142 GLU C C 13 180.280 0.02 . . . . . . . 400 GLU CO . 50694 1 523 . 1 . 1 142 142 GLU CA C 13 58.835 0.02 . . . . . . . 400 GLU CA . 50694 1 524 . 1 . 1 142 142 GLU CB C 13 28.363 0.09 . . . . . . . 400 GLU CB . 50694 1 525 . 1 . 1 142 142 GLU N N 15 121.993 0.27 . . . . . . . 400 GLU N . 50694 1 526 . 1 . 1 143 143 LYS H H 1 7.849 0.00 . . . . . . . 401 LYS H . 50694 1 527 . 1 . 1 143 143 LYS C C 13 179.202 0.00 . . . . . . . 401 LYS CO . 50694 1 528 . 1 . 1 143 143 LYS CA C 13 58.232 0.00 . . . . . . . 401 LYS CA . 50694 1 529 . 1 . 1 143 143 LYS CB C 13 30.596 0.00 . . . . . . . 401 LYS CB . 50694 1 530 . 1 . 1 143 143 LYS N N 15 121.678 0.04 . . . . . . . 401 LYS N . 50694 1 531 . 1 . 1 144 144 ALA H H 1 8.675 0.00 . . . . . . . 402 ALA H . 50694 1 532 . 1 . 1 144 144 ALA C C 13 179.164 0.00 . . . . . . . 402 ALA CO . 50694 1 533 . 1 . 1 144 144 ALA CA C 13 55.293 0.00 . . . . . . . 402 ALA CA . 50694 1 534 . 1 . 1 144 144 ALA CB C 13 16.629 0.00 . . . . . . . 402 ALA CB . 50694 1 535 . 1 . 1 144 144 ALA N N 15 115.238 0.03 . . . . . . . 402 ALA N . 50694 1 536 . 1 . 1 145 145 ASN H H 1 8.460 0.30 . . . . . . . 403 ASN H . 50694 1 537 . 1 . 1 145 145 ASN C C 13 178.101 0.41 . . . . . . . 403 ASN CO . 50694 1 538 . 1 . 1 145 145 ASN CA C 13 54.818 0.19 . . . . . . . 403 ASN CA . 50694 1 539 . 1 . 1 145 145 ASN CB C 13 36.842 0.00 . . . . . . . 403 ASN CB . 50694 1 540 . 1 . 1 145 145 ASN N N 15 114.938 0.39 . . . . . . . 403 ASN N . 50694 1 541 . 1 . 1 146 146 SER H H 1 7.914 0.10 . . . . . . . 404 SER H . 50694 1 542 . 1 . 1 146 146 SER C C 13 177.738 0.00 . . . . . . . 404 SER CO . 50694 1 543 . 1 . 1 146 146 SER CA C 13 61.888 0.46 . . . . . . . 404 SER CA . 50694 1 544 . 1 . 1 146 146 SER CB C 13 61.056 0.00 . . . . . . . 404 SER CB . 50694 1 545 . 1 . 1 146 146 SER N N 15 114.371 0.00 . . . . . . . 404 SER N . 50694 1 546 . 1 . 1 147 147 ILE H H 1 7.967 0.14 . . . . . . . 405 ILE H . 50694 1 547 . 1 . 1 147 147 ILE C C 13 175.113 0.00 . . . . . . . 405 ILE CO . 50694 1 548 . 1 . 1 147 147 ILE CA C 13 64.442 0.00 . . . . . . . 405 ILE CA . 50694 1 549 . 1 . 1 147 147 ILE CB C 13 36.099 0.04 . . . . . . . 405 ILE CB . 50694 1 550 . 1 . 1 147 147 ILE N N 15 123.716 2.10 . . . . . . . 405 ILE N . 50694 1 551 . 1 . 1 148 148 LEU H H 1 8.048 0.06 . . . . . . . 406 LEU H . 50694 1 552 . 1 . 1 148 148 LEU C C 13 181.047 0.68 . . . . . . . 406 LEU CO . 50694 1 553 . 1 . 1 148 148 LEU CA C 13 57.053 0.12 . . . . . . . 406 LEU CA . 50694 1 554 . 1 . 1 148 148 LEU CB C 13 38.795 0.18 . . . . . . . 406 LEU CB . 50694 1 555 . 1 . 1 148 148 LEU N N 15 121.785 0.17 . . . . . . . 406 LEU N . 50694 1 556 . 1 . 1 149 149 GLU H H 1 7.823 0.18 . . . . . . . 407 GLU H . 50694 1 557 . 1 . 1 149 149 GLU C C 13 179.093 0.46 . . . . . . . 407 GLU CO . 50694 1 558 . 1 . 1 149 149 GLU CA C 13 59.026 0.21 . . . . . . . 407 GLU CA . 50694 1 559 . 1 . 1 149 149 GLU CB C 13 28.760 0.27 . . . . . . . 407 GLU CB . 50694 1 560 . 1 . 1 149 149 GLU N N 15 120.633 1.53 . . . . . . . 407 GLU N . 50694 1 561 . 1 . 1 150 150 GLU H H 1 7.595 0.03 . . . . . . . 408 GLU H . 50694 1 562 . 1 . 1 150 150 GLU C C 13 178.480 0.01 . . . . . . . 408 GLU CO . 50694 1 563 . 1 . 1 150 150 GLU CA C 13 58.728 0.12 . . . . . . . 408 GLU CA . 50694 1 564 . 1 . 1 150 150 GLU CB C 13 29.491 0.00 . . . . . . . 408 GLU CB . 50694 1 565 . 1 . 1 150 150 GLU N N 15 119.645 1.09 . . . . . . . 408 GLU N . 50694 1 566 . 1 . 1 151 151 VAL H H 1 7.540 0.00 . . . . . . . 409 VAL H . 50694 1 567 . 1 . 1 151 151 VAL C C 13 176.117 0.00 . . . . . . . 409 VAL CO . 50694 1 568 . 1 . 1 151 151 VAL CA C 13 65.846 0.00 . . . . . . . 409 VAL CA . 50694 1 569 . 1 . 1 151 151 VAL CB C 13 30.351 0.00 . . . . . . . 409 VAL CB . 50694 1 570 . 1 . 1 151 151 VAL N N 15 121.189 0.01 . . . . . . . 409 VAL N . 50694 1 571 . 1 . 1 152 152 LYS H H 1 7.891 0.00 . . . . . . . 410 LYS H . 50694 1 572 . 1 . 1 152 152 LYS C C 13 179.209 0.00 . . . . . . . 410 LYS CO . 50694 1 573 . 1 . 1 152 152 LYS CA C 13 58.194 0.00 . . . . . . . 410 LYS CA . 50694 1 574 . 1 . 1 152 152 LYS CB C 13 32.426 0.00 . . . . . . . 410 LYS CB . 50694 1 575 . 1 . 1 152 152 LYS N N 15 123.867 0.00 . . . . . . . 410 LYS N . 50694 1 576 . 1 . 1 153 153 ALA H H 1 7.820 0.07 . . . . . . . 411 ALA H . 50694 1 577 . 1 . 1 153 153 ALA C C 13 178.376 0.09 . . . . . . . 411 ALA CO . 50694 1 578 . 1 . 1 153 153 ALA CA C 13 54.876 0.38 . . . . . . . 411 ALA CA . 50694 1 579 . 1 . 1 153 153 ALA CB C 13 18.044 0.69 . . . . . . . 411 ALA CB . 50694 1 580 . 1 . 1 153 153 ALA N N 15 123.909 0.00 . . . . . . . 411 ALA N . 50694 1 581 . 1 . 1 154 154 GLU H H 1 7.985 0.29 . . . . . . . 412 GLU H . 50694 1 582 . 1 . 1 154 154 GLU C C 13 178.803 0.17 . . . . . . . 412 GLU CO . 50694 1 583 . 1 . 1 154 154 GLU CA C 13 58.912 0.08 . . . . . . . 412 GLU CA . 50694 1 584 . 1 . 1 154 154 GLU CB C 13 28.840 0.11 . . . . . . . 412 GLU CB . 50694 1 585 . 1 . 1 154 154 GLU N N 15 117.006 2.87 . . . . . . . 412 GLU N . 50694 1 586 . 1 . 1 155 155 LEU H H 1 8.499 0.21 . . . . . . . 413 LEU H . 50694 1 587 . 1 . 1 155 155 LEU C C 13 180.211 0.01 . . . . . . . 413 LEU CO . 50694 1 588 . 1 . 1 155 155 LEU CA C 13 57.898 0.06 . . . . . . . 413 LEU CA . 50694 1 589 . 1 . 1 155 155 LEU CB C 13 38.703 0.13 . . . . . . . 413 LEU CB . 50694 1 590 . 1 . 1 155 155 LEU N N 15 120.170 0.20 . . . . . . . 413 LEU N . 50694 1 591 . 1 . 1 156 156 ASP H H 1 8.741 0.00 . . . . . . . 414 ASP H . 50694 1 592 . 1 . 1 156 156 ASP C C 13 180.303 0.00 . . . . . . . 414 ASP CO . 50694 1 593 . 1 . 1 156 156 ASP CA C 13 57.436 0.00 . . . . . . . 414 ASP CA . 50694 1 594 . 1 . 1 156 156 ASP CB C 13 39.795 0.00 . . . . . . . 414 ASP CB . 50694 1 595 . 1 . 1 156 156 ASP N N 15 119.898 0.02 . . . . . . . 414 ASP N . 50694 1 596 . 1 . 1 157 157 ARG H H 1 7.968 0.00 . . . . . . . 415 ARG H . 50694 1 597 . 1 . 1 157 157 ARG C C 13 178.667 0.00 . . . . . . . 415 ARG CO . 50694 1 598 . 1 . 1 157 157 ARG CA C 13 58.803 0.00 . . . . . . . 415 ARG CA . 50694 1 599 . 1 . 1 157 157 ARG CB C 13 28.405 0.00 . . . . . . . 415 ARG CB . 50694 1 600 . 1 . 1 157 157 ARG N N 15 118.271 0.01 . . . . . . . 415 ARG N . 50694 1 601 . 1 . 1 158 158 GLU H H 1 7.949 0.03 . . . . . . . 416 GLU H . 50694 1 602 . 1 . 1 158 158 GLU C C 13 176.914 0.01 . . . . . . . 416 GLU CO . 50694 1 603 . 1 . 1 158 158 GLU CA C 13 56.066 0.00 . . . . . . . 416 GLU CA . 50694 1 604 . 1 . 1 158 158 GLU CB C 13 30.251 0.19 . . . . . . . 416 GLU CB . 50694 1 605 . 1 . 1 158 158 GLU N N 15 118.291 0.00 . . . . . . . 416 GLU N . 50694 1 606 . 1 . 1 159 159 GLY H H 1 8.033 0.14 . . . . . . . 417 GLY H . 50694 1 607 . 1 . 1 159 159 GLY C C 13 174.689 0.01 . . . . . . . 417 GLY CO . 50694 1 608 . 1 . 1 159 159 GLY CA C 13 45.993 0.01 . . . . . . . 417 GLY CA . 50694 1 609 . 1 . 1 159 159 GLY N N 15 110.599 0.00 . . . . . . . 417 GLY N . 50694 1 610 . 1 . 1 160 160 VAL H H 1 8.344 0.16 . . . . . . . 418 VAL H . 50694 1 611 . 1 . 1 160 160 VAL C C 13 175.642 0.02 . . . . . . . 418 VAL CO . 50694 1 612 . 1 . 1 160 160 VAL CA C 13 61.257 0.00 . . . . . . . 418 VAL CA . 50694 1 613 . 1 . 1 160 160 VAL CB C 13 32.269 0.22 . . . . . . . 418 VAL CB . 50694 1 614 . 1 . 1 160 160 VAL N N 15 125.844 2.31 . . . . . . . 418 VAL N . 50694 1 615 . 1 . 1 161 161 LYS H H 1 8.531 0.00 . . . . . . . 419 LYS H . 50694 1 616 . 1 . 1 161 161 LYS C C 13 175.087 0.00 . . . . . . . 419 LYS CO . 50694 1 617 . 1 . 1 161 161 LYS CA C 13 56.369 0.00 . . . . . . . 419 LYS CA . 50694 1 618 . 1 . 1 161 161 LYS CB C 13 32.000 0.00 . . . . . . . 419 LYS CB . 50694 1 619 . 1 . 1 161 161 LYS N N 15 128.517 0.03 . . . . . . . 419 LYS N . 50694 1 620 . 1 . 1 163 163 ASP H H 1 8.304 0.00 . . . . . . . 421 ASP H . 50694 1 621 . 1 . 1 163 163 ASP C C 13 176.169 0.00 . . . . . . . 421 ASP CO . 50694 1 622 . 1 . 1 163 163 ASP CA C 13 52.733 0.00 . . . . . . . 421 ASP CA . 50694 1 623 . 1 . 1 163 163 ASP CB C 13 39.993 0.00 . . . . . . . 421 ASP CB . 50694 1 624 . 1 . 1 163 163 ASP N N 15 127.203 0.00 . . . . . . . 421 ASP N . 50694 1 625 . 1 . 1 164 164 LYS H H 1 8.349 0.05 . . . . . . . 422 LYS H . 50694 1 626 . 1 . 1 164 164 LYS C C 13 177.859 0.01 . . . . . . . 422 LYS CO . 50694 1 627 . 1 . 1 164 164 LYS CA C 13 57.904 0.02 . . . . . . . 422 LYS CA . 50694 1 628 . 1 . 1 164 164 LYS CB C 13 31.290 0.01 . . . . . . . 422 LYS CB . 50694 1 629 . 1 . 1 164 164 LYS N N 15 127.216 0.00 . . . . . . . 422 LYS N . 50694 1 630 . 1 . 1 165 165 GLU H H 1 7.769 0.74 . . . . . . . 423 GLU H . 50694 1 631 . 1 . 1 165 165 GLU C C 13 176.018 0.01 . . . . . . . 423 GLU CO . 50694 1 632 . 1 . 1 165 165 GLU CA C 13 54.087 0.00 . . . . . . . 423 GLU CA . 50694 1 633 . 1 . 1 165 165 GLU CB C 13 28.234 0.26 . . . . . . . 423 GLU CB . 50694 1 634 . 1 . 1 165 165 GLU N N 15 120.274 1.58 . . . . . . . 423 GLU N . 50694 1 635 . 1 . 1 166 166 ILE H H 1 7.676 0.88 . . . . . . . 424 ILE H . 50694 1 636 . 1 . 1 166 166 ILE C C 13 175.023 0.00 . . . . . . . 424 ILE CO . 50694 1 637 . 1 . 1 166 166 ILE CA C 13 62.074 0.01 . . . . . . . 424 ILE CA . 50694 1 638 . 1 . 1 166 166 ILE CB C 13 38.449 0.08 . . . . . . . 424 ILE CB . 50694 1 639 . 1 . 1 166 166 ILE N N 15 122.105 0.00 . . . . . . . 424 ILE N . 50694 1 640 . 1 . 1 167 167 LYS H H 1 9.057 0.42 . . . . . . . 425 LYS H . 50694 1 641 . 1 . 1 167 167 LYS C C 13 175.772 0.01 . . . . . . . 425 LYS CO . 50694 1 642 . 1 . 1 167 167 LYS CA C 13 55.317 0.02 . . . . . . . 425 LYS CA . 50694 1 643 . 1 . 1 167 167 LYS CB C 13 33.858 0.55 . . . . . . . 425 LYS CB . 50694 1 644 . 1 . 1 167 167 LYS N N 15 128.661 0.00 . . . . . . . 425 LYS N . 50694 1 645 . 1 . 1 168 168 VAL H H 1 9.144 0.46 . . . . . . . 426 VAL H . 50694 1 646 . 1 . 1 168 168 VAL C C 13 174.202 0.01 . . . . . . . 426 VAL CO . 50694 1 647 . 1 . 1 168 168 VAL CA C 13 60.151 0.01 . . . . . . . 426 VAL CA . 50694 1 648 . 1 . 1 168 168 VAL CB C 13 33.819 0.28 . . . . . . . 426 VAL CB . 50694 1 649 . 1 . 1 168 168 VAL N N 15 120.763 1.59 . . . . . . . 426 VAL N . 50694 1 650 . 1 . 1 169 169 GLY H H 1 8.610 0.00 . . . . . . . 427 GLY H . 50694 1 651 . 1 . 1 169 169 GLY C C 13 171.882 0.00 . . . . . . . 427 GLY CO . 50694 1 652 . 1 . 1 169 169 GLY CA C 13 42.204 0.00 . . . . . . . 427 GLY CA . 50694 1 653 . 1 . 1 169 169 GLY N N 15 118.915 0.01 . . . . . . . 427 GLY N . 50694 1 654 . 1 . 1 171 171 MET H H 1 7.762 0.00 . . . . . . . 429 MET H . 50694 1 655 . 1 . 1 171 171 MET C C 13 179.307 0.00 . . . . . . . 429 MET CO . 50694 1 656 . 1 . 1 171 171 MET CA C 13 58.703 0.00 . . . . . . . 429 MET CA . 50694 1 657 . 1 . 1 171 171 MET CB C 13 33.172 0.00 . . . . . . . 429 MET CB . 50694 1 658 . 1 . 1 171 171 MET N N 15 121.144 0.01 . . . . . . . 429 MET N . 50694 1 659 . 1 . 1 172 172 VAL H H 1 7.762 0.01 . . . . . . . 430 VAL H . 50694 1 660 . 1 . 1 172 172 VAL C C 13 177.288 0.00 . . . . . . . 430 VAL CO . 50694 1 661 . 1 . 1 172 172 VAL CA C 13 66.501 0.00 . . . . . . . 430 VAL CA . 50694 1 662 . 1 . 1 172 172 VAL CB C 13 30.637 0.00 . . . . . . . 430 VAL CB . 50694 1 663 . 1 . 1 172 172 VAL N N 15 121.148 0.02 . . . . . . . 430 VAL N . 50694 1 664 . 1 . 1 173 173 GLU H H 1 8.043 0.00 . . . . . . . 431 GLU H . 50694 1 665 . 1 . 1 173 173 GLU C C 13 177.623 0.00 . . . . . . . 431 GLU CO . 50694 1 666 . 1 . 1 173 173 GLU CA C 13 57.004 0.00 . . . . . . . 431 GLU CA . 50694 1 667 . 1 . 1 173 173 GLU N N 15 122.117 0.01 . . . . . . . 431 GLU N . 50694 1 668 . 1 . 1 174 174 ILE H H 1 8.041 0.00 . . . . . . . 432 ILE H . 50694 1 669 . 1 . 1 174 174 ILE C C 13 177.268 0.00 . . . . . . . 432 ILE CO . 50694 1 670 . 1 . 1 174 174 ILE CA C 13 61.954 0.00 . . . . . . . 432 ILE CA . 50694 1 671 . 1 . 1 174 174 ILE CB C 13 37.298 0.00 . . . . . . . 432 ILE CB . 50694 1 672 . 1 . 1 174 174 ILE N N 15 122.126 0.03 . . . . . . . 432 ILE N . 50694 1 673 . 1 . 1 177 177 ALA H H 1 7.686 0.00 . . . . . . . 435 ALA H . 50694 1 674 . 1 . 1 177 177 ALA C C 13 179.814 0.00 . . . . . . . 435 ALA CO . 50694 1 675 . 1 . 1 177 177 ALA CA C 13 54.269 0.00 . . . . . . . 435 ALA CA . 50694 1 676 . 1 . 1 177 177 ALA CB C 13 19.173 0.00 . . . . . . . 435 ALA CB . 50694 1 677 . 1 . 1 177 177 ALA N N 15 119.259 0.02 . . . . . . . 435 ALA N . 50694 1 678 . 1 . 1 178 178 ALA H H 1 7.687 0.00 . . . . . . . 436 ALA H . 50694 1 679 . 1 . 1 178 178 ALA C C 13 180.547 0.00 . . . . . . . 436 ALA CO . 50694 1 680 . 1 . 1 178 178 ALA CA C 13 54.472 0.00 . . . . . . . 436 ALA CA . 50694 1 681 . 1 . 1 178 178 ALA CB C 13 16.742 0.00 . . . . . . . 436 ALA CB . 50694 1 682 . 1 . 1 178 178 ALA N N 15 119.270 0.01 . . . . . . . 436 ALA N . 50694 1 683 . 1 . 1 180 180 THR H H 1 7.543 0.00 . . . . . . . 438 THR H . 50694 1 684 . 1 . 1 180 180 THR C C 13 175.576 0.00 . . . . . . . 438 THR CO . 50694 1 685 . 1 . 1 180 180 THR CA C 13 63.246 0.00 . . . . . . . 438 THR CA . 50694 1 686 . 1 . 1 180 180 THR CB C 13 68.103 0.00 . . . . . . . 438 THR CB . 50694 1 687 . 1 . 1 180 180 THR N N 15 124.057 0.01 . . . . . . . 438 THR N . 50694 1 688 . 1 . 1 181 181 ALA H H 1 7.672 0.15 . . . . . . . 439 ALA H . 50694 1 689 . 1 . 1 181 181 ALA C C 13 178.521 0.07 . . . . . . . 439 ALA CO . 50694 1 690 . 1 . 1 181 181 ALA CA C 13 54.748 0.25 . . . . . . . 439 ALA CA . 50694 1 691 . 1 . 1 181 181 ALA CB C 13 18.224 0.06 . . . . . . . 439 ALA CB . 50694 1 692 . 1 . 1 181 181 ALA N N 15 124.061 0.00 . . . . . . . 439 ALA N . 50694 1 693 . 1 . 1 182 182 ARG H H 1 7.676 0.19 . . . . . . . 440 ARG H . 50694 1 694 . 1 . 1 182 182 ARG C C 13 178.945 0.24 . . . . . . . 440 ARG CO . 50694 1 695 . 1 . 1 182 182 ARG CA C 13 58.831 0.01 . . . . . . . 440 ARG CA . 50694 1 696 . 1 . 1 182 182 ARG CB C 13 28.434 0.21 . . . . . . . 440 ARG CB . 50694 1 697 . 1 . 1 182 182 ARG N N 15 116.906 0.15 . . . . . . . 440 ARG N . 50694 1 698 . 1 . 1 183 183 ILE H H 1 7.458 0.00 . . . . . . . 441 ILE H . 50694 1 699 . 1 . 1 183 183 ILE C C 13 177.749 0.00 . . . . . . . 441 ILE CO . 50694 1 700 . 1 . 1 183 183 ILE CA C 13 62.209 0.00 . . . . . . . 441 ILE CA . 50694 1 701 . 1 . 1 183 183 ILE CB C 13 37.572 0.00 . . . . . . . 441 ILE CB . 50694 1 702 . 1 . 1 183 183 ILE N N 15 116.716 0.01 . . . . . . . 441 ILE N . 50694 1 703 . 1 . 1 184 184 LEU H H 1 7.746 0.00 . . . . . . . 442 LEU H . 50694 1 704 . 1 . 1 184 184 LEU C C 13 178.493 0.00 . . . . . . . 442 LEU CO . 50694 1 705 . 1 . 1 184 184 LEU CA C 13 55.307 0.00 . . . . . . . 442 LEU CA . 50694 1 706 . 1 . 1 184 184 LEU CB C 13 40.902 0.00 . . . . . . . 442 LEU CB . 50694 1 707 . 1 . 1 184 184 LEU N N 15 122.004 0.01 . . . . . . . 442 LEU N . 50694 1 708 . 1 . 1 185 185 ALA H H 1 7.820 0.08 . . . . . . . 443 ALA H . 50694 1 709 . 1 . 1 185 185 ALA C C 13 177.794 0.01 . . . . . . . 443 ALA CO . 50694 1 710 . 1 . 1 185 185 ALA CA C 13 55.299 0.01 . . . . . . . 443 ALA CA . 50694 1 711 . 1 . 1 185 185 ALA CB C 13 18.074 0.07 . . . . . . . 443 ALA CB . 50694 1 712 . 1 . 1 185 185 ALA N N 15 122.001 0.00 . . . . . . . 443 ALA N . 50694 1 713 . 1 . 1 186 186 LYS H H 1 7.867 0.06 . . . . . . . 444 LYS H . 50694 1 714 . 1 . 1 186 186 LYS C C 13 177.279 0.02 . . . . . . . 444 LYS CO . 50694 1 715 . 1 . 1 186 186 LYS CA C 13 57.573 0.02 . . . . . . . 444 LYS CA . 50694 1 716 . 1 . 1 186 186 LYS CB C 13 31.609 0.06 . . . . . . . 444 LYS CB . 50694 1 717 . 1 . 1 186 186 LYS N N 15 113.885 1.47 . . . . . . . 444 LYS N . 50694 1 718 . 1 . 1 187 187 GLU H H 1 7.394 0.47 . . . . . . . 445 GLU H . 50694 1 719 . 1 . 1 187 187 GLU C C 13 176.225 0.02 . . . . . . . 445 GLU CO . 50694 1 720 . 1 . 1 187 187 GLU CA C 13 55.139 0.02 . . . . . . . 445 GLU CA . 50694 1 721 . 1 . 1 187 187 GLU CB C 13 30.509 0.32 . . . . . . . 445 GLU CB . 50694 1 722 . 1 . 1 187 187 GLU N N 15 115.590 0.00 . . . . . . . 445 GLU N . 50694 1 723 . 1 . 1 188 188 VAL H H 1 7.693 0.97 . . . . . . . 446 VAL H . 50694 1 724 . 1 . 1 188 188 VAL C C 13 174.327 0.01 . . . . . . . 446 VAL CO . 50694 1 725 . 1 . 1 188 188 VAL CA C 13 58.276 0.00 . . . . . . . 446 VAL CA . 50694 1 726 . 1 . 1 188 188 VAL CB C 13 33.977 0.31 . . . . . . . 446 VAL CB . 50694 1 727 . 1 . 1 188 188 VAL N N 15 108.693 0.00 . . . . . . . 446 VAL N . 50694 1 728 . 1 . 1 189 189 ASP H H 1 7.859 0.96 . . . . . . . 447 ASP H . 50694 1 729 . 1 . 1 189 189 ASP C C 13 175.783 0.00 . . . . . . . 447 ASP CO . 50694 1 730 . 1 . 1 189 189 ASP CA C 13 56.287 0.00 . . . . . . . 447 ASP CA . 50694 1 731 . 1 . 1 189 189 ASP CB C 13 41.920 0.02 . . . . . . . 447 ASP CB . 50694 1 732 . 1 . 1 189 189 ASP N N 15 113.713 1.86 . . . . . . . 447 ASP N . 50694 1 733 . 1 . 1 190 190 PHE H H 1 6.901 0.00 . . . . . . . 448 PHE H . 50694 1 734 . 1 . 1 190 190 PHE C C 13 172.495 0.00 . . . . . . . 448 PHE CO . 50694 1 735 . 1 . 1 190 190 PHE CA C 13 55.933 0.00 . . . . . . . 448 PHE CA . 50694 1 736 . 1 . 1 190 190 PHE CB C 13 38.650 0.00 . . . . . . . 448 PHE CB . 50694 1 737 . 1 . 1 190 190 PHE N N 15 111.861 0.02 . . . . . . . 448 PHE N . 50694 1 738 . 1 . 1 191 191 PHE H H 1 8.789 0.00 . . . . . . . 449 PHE H . 50694 1 739 . 1 . 1 191 191 PHE C C 13 175.679 0.00 . . . . . . . 449 PHE CO . 50694 1 740 . 1 . 1 191 191 PHE CA C 13 53.053 0.00 . . . . . . . 449 PHE CA . 50694 1 741 . 1 . 1 191 191 PHE CB C 13 42.151 0.00 . . . . . . . 449 PHE CB . 50694 1 742 . 1 . 1 191 191 PHE N N 15 117.083 0.01 . . . . . . . 449 PHE N . 50694 1 743 . 1 . 1 192 192 SER H H 1 9.088 0.35 . . . . . . . 450 SER H . 50694 1 744 . 1 . 1 192 192 SER C C 13 174.401 0.02 . . . . . . . 450 SER CO . 50694 1 745 . 1 . 1 192 192 SER CA C 13 56.685 0.01 . . . . . . . 450 SER CA . 50694 1 746 . 1 . 1 192 192 SER CB C 13 63.490 0.13 . . . . . . . 450 SER CB . 50694 1 747 . 1 . 1 192 192 SER N N 15 117.092 0.00 . . . . . . . 450 SER N . 50694 1 748 . 1 . 1 193 193 ILE H H 1 9.215 0.31 . . . . . . . 451 ILE H . 50694 1 749 . 1 . 1 193 193 ILE C C 13 175.974 0.01 . . . . . . . 451 ILE CO . 50694 1 750 . 1 . 1 193 193 ILE CA C 13 61.704 0.01 . . . . . . . 451 ILE CA . 50694 1 751 . 1 . 1 193 193 ILE CB C 13 38.357 0.10 . . . . . . . 451 ILE CB . 50694 1 752 . 1 . 1 193 193 ILE N N 15 128.662 0.00 . . . . . . . 451 ILE N . 50694 1 753 . 1 . 1 194 194 GLY H H 1 8.458 0.48 . . . . . . . 452 GLY H . 50694 1 754 . 1 . 1 194 194 GLY C C 13 172.949 0.01 . . . . . . . 452 GLY CO . 50694 1 755 . 1 . 1 194 194 GLY CA C 13 44.279 0.03 . . . . . . . 452 GLY CA . 50694 1 756 . 1 . 1 194 194 GLY N N 15 115.621 2.26 . . . . . . . 452 GLY N . 50694 1 757 . 1 . 1 195 195 THR H H 1 7.868 0.00 . . . . . . . 453 THR H . 50694 1 758 . 1 . 1 195 195 THR CA C 13 60.184 0.00 . . . . . . . 453 THR CA . 50694 1 759 . 1 . 1 195 195 THR CB C 13 68.979 0.00 . . . . . . . 453 THR CB . 50694 1 760 . 1 . 1 195 195 THR N N 15 112.852 0.02 . . . . . . . 453 THR N . 50694 1 761 . 1 . 1 213 213 LYS H H 1 8.498 0.00 . . . . . . . 471 LYS H . 50694 1 762 . 1 . 1 213 213 LYS C C 13 175.006 0.00 . . . . . . . 471 LYS CO . 50694 1 763 . 1 . 1 213 213 LYS CA C 13 60.180 0.00 . . . . . . . 471 LYS CA . 50694 1 764 . 1 . 1 213 213 LYS CB C 13 33.298 0.00 . . . . . . . 471 LYS CB . 50694 1 765 . 1 . 1 213 213 LYS N N 15 127.755 0.01 . . . . . . . 471 LYS N . 50694 1 766 . 1 . 1 214 214 GLU H H 1 8.452 0.05 . . . . . . . 472 GLU H . 50694 1 767 . 1 . 1 214 214 GLU C C 13 175.661 0.02 . . . . . . . 472 GLU CO . 50694 1 768 . 1 . 1 214 214 GLU CA C 13 55.618 0.01 . . . . . . . 472 GLU CA . 50694 1 769 . 1 . 1 214 214 GLU CB C 13 29.059 0.05 . . . . . . . 472 GLU CB . 50694 1 770 . 1 . 1 214 214 GLU N N 15 125.586 2.52 . . . . . . . 472 GLU N . 50694 1 771 . 1 . 1 215 215 TYR H H 1 8.389 0.00 . . . . . . . 473 TYR H . 50694 1 772 . 1 . 1 215 215 TYR C C 13 175.037 0.00 . . . . . . . 473 TYR CO . 50694 1 773 . 1 . 1 215 215 TYR CA C 13 56.442 0.00 . . . . . . . 473 TYR CA . 50694 1 774 . 1 . 1 215 215 TYR CB C 13 37.539 0.00 . . . . . . . 473 TYR CB . 50694 1 775 . 1 . 1 215 215 TYR N N 15 122.666 0.02 . . . . . . . 473 TYR N . 50694 1 776 . 1 . 1 216 216 TYR H H 1 8.001 0.00 . . . . . . . 474 TYR H . 50694 1 777 . 1 . 1 216 216 TYR C C 13 174.640 0.00 . . . . . . . 474 TYR CO . 50694 1 778 . 1 . 1 216 216 TYR CA C 13 56.898 0.00 . . . . . . . 474 TYR CA . 50694 1 779 . 1 . 1 216 216 TYR CB C 13 39.540 0.00 . . . . . . . 474 TYR CB . 50694 1 780 . 1 . 1 216 216 TYR N N 15 122.808 0.05 . . . . . . . 474 TYR N . 50694 1 781 . 1 . 1 217 217 GLN H H 1 8.004 0.00 . . . . . . . 475 GLN H . 50694 1 782 . 1 . 1 217 217 GLN CA C 13 53.284 0.00 . . . . . . . 475 GLN CA . 50694 1 783 . 1 . 1 217 217 GLN CB C 13 28.371 0.00 . . . . . . . 475 GLN CB . 50694 1 784 . 1 . 1 217 217 GLN N N 15 122.785 0.01 . . . . . . . 475 GLN N . 50694 1 785 . 1 . 1 223 223 ILE H H 1 8.993 0.00 . . . . . . . 481 ILE H . 50694 1 786 . 1 . 1 223 223 ILE C C 13 178.202 0.00 . . . . . . . 481 ILE CO . 50694 1 787 . 1 . 1 223 223 ILE CA C 13 66.278 0.00 . . . . . . . 481 ILE CA . 50694 1 788 . 1 . 1 223 223 ILE CB C 13 36.833 0.00 . . . . . . . 481 ILE CB . 50694 1 789 . 1 . 1 223 223 ILE N N 15 120.181 0.02 . . . . . . . 481 ILE N . 50694 1 790 . 1 . 1 224 224 LEU H H 1 8.573 0.42 . . . . . . . 482 LEU H . 50694 1 791 . 1 . 1 224 224 LEU C C 13 178.980 0.00 . . . . . . . 482 LEU CO . 50694 1 792 . 1 . 1 224 224 LEU CA C 13 57.579 0.08 . . . . . . . 482 LEU CA . 50694 1 793 . 1 . 1 224 224 LEU CB C 13 39.864 0.35 . . . . . . . 482 LEU CB . 50694 1 794 . 1 . 1 224 224 LEU N N 15 118.902 1.31 . . . . . . . 482 LEU N . 50694 1 795 . 1 . 1 225 225 ARG H H 1 7.838 0.37 . . . . . . . 483 ARG H . 50694 1 796 . 1 . 1 225 225 ARG C C 13 179.172 0.13 . . . . . . . 483 ARG CO . 50694 1 797 . 1 . 1 225 225 ARG CA C 13 59.183 0.00 . . . . . . . 483 ARG CA . 50694 1 798 . 1 . 1 225 225 ARG CB C 13 29.200 0.07 . . . . . . . 483 ARG CB . 50694 1 799 . 1 . 1 225 225 ARG N N 15 119.416 2.09 . . . . . . . 483 ARG N . 50694 1 800 . 1 . 1 226 226 LEU H H 1 7.651 0.33 . . . . . . . 484 LEU H . 50694 1 801 . 1 . 1 226 226 LEU C C 13 178.538 0.02 . . . . . . . 484 LEU CO . 50694 1 802 . 1 . 1 226 226 LEU CA C 13 57.189 0.01 . . . . . . . 484 LEU CA . 50694 1 803 . 1 . 1 226 226 LEU CB C 13 40.878 0.00 . . . . . . . 484 LEU CB . 50694 1 804 . 1 . 1 226 226 LEU N N 15 121.533 0.42 . . . . . . . 484 LEU N . 50694 1 805 . 1 . 1 227 227 VAL H H 1 8.194 0.08 . . . . . . . 485 VAL H . 50694 1 806 . 1 . 1 227 227 VAL C C 13 178.841 0.89 . . . . . . . 485 VAL CO . 50694 1 807 . 1 . 1 227 227 VAL CA C 13 66.364 0.49 . . . . . . . 485 VAL CA . 50694 1 808 . 1 . 1 227 227 VAL CB C 13 30.051 0.18 . . . . . . . 485 VAL CB . 50694 1 809 . 1 . 1 227 227 VAL N N 15 120.931 0.07 . . . . . . . 485 VAL N . 50694 1 810 . 1 . 1 228 228 LYS H H 1 7.966 0.38 . . . . . . . 486 LYS H . 50694 1 811 . 1 . 1 228 228 LYS C C 13 177.601 0.02 . . . . . . . 486 LYS CO . 50694 1 812 . 1 . 1 228 228 LYS CA C 13 60.021 0.00 . . . . . . . 486 LYS CA . 50694 1 813 . 1 . 1 228 228 LYS CB C 13 32.031 0.07 . . . . . . . 486 LYS CB . 50694 1 814 . 1 . 1 228 228 LYS N N 15 120.022 0.97 . . . . . . . 486 LYS N . 50694 1 815 . 1 . 1 229 229 MET H H 1 7.714 0.21 . . . . . . . 487 MET H . 50694 1 816 . 1 . 1 229 229 MET C C 13 181.284 0.00 . . . . . . . 487 MET CO . 50694 1 817 . 1 . 1 229 229 MET CA C 13 54.358 0.03 . . . . . . . 487 MET CA . 50694 1 818 . 1 . 1 229 229 MET CB C 13 17.370 0.14 . . . . . . . 487 MET CB . 50694 1 819 . 1 . 1 229 229 MET N N 15 119.759 0.98 . . . . . . . 487 MET N . 50694 1 820 . 1 . 1 230 230 VAL H H 1 7.959 0.00 . . . . . . . 488 VAL H . 50694 1 821 . 1 . 1 230 230 VAL C C 13 178.959 0.00 . . . . . . . 488 VAL CO . 50694 1 822 . 1 . 1 230 230 VAL CA C 13 58.935 0.00 . . . . . . . 488 VAL CA . 50694 1 823 . 1 . 1 230 230 VAL CB C 13 17.205 0.00 . . . . . . . 488 VAL CB . 50694 1 824 . 1 . 1 230 230 VAL N N 15 120.898 0.07 . . . . . . . 488 VAL N . 50694 1 825 . 1 . 1 231 231 ILE H H 1 7.895 0.00 . . . . . . . 489 ILE H . 50694 1 826 . 1 . 1 231 231 ILE C C 13 172.502 0.00 . . . . . . . 489 ILE CO . 50694 1 827 . 1 . 1 231 231 ILE CA C 13 55.847 0.00 . . . . . . . 489 ILE CA . 50694 1 828 . 1 . 1 231 231 ILE CB C 13 38.318 0.00 . . . . . . . 489 ILE CB . 50694 1 829 . 1 . 1 231 231 ILE N N 15 114.602 0.01 . . . . . . . 489 ILE N . 50694 1 830 . 1 . 1 232 232 ASP H H 1 8.021 0.26 . . . . . . . 490 ASP H . 50694 1 831 . 1 . 1 232 232 ASP C C 13 175.560 0.09 . . . . . . . 490 ASP CO . 50694 1 832 . 1 . 1 232 232 ASP CA C 13 53.041 0.00 . . . . . . . 490 ASP CA . 50694 1 833 . 1 . 1 232 232 ASP CB C 13 42.580 0.00 . . . . . . . 490 ASP CB . 50694 1 834 . 1 . 1 232 232 ASP N N 15 114.572 0.00 . . . . . . . 490 ASP N . 50694 1 835 . 1 . 1 233 233 ALA H H 1 8.139 0.55 . . . . . . . 491 ALA H . 50694 1 836 . 1 . 1 233 233 ALA C C 13 177.590 0.31 . . . . . . . 491 ALA CO . 50694 1 837 . 1 . 1 233 233 ALA CA C 13 51.333 0.06 . . . . . . . 491 ALA CA . 50694 1 838 . 1 . 1 233 233 ALA CB C 13 19.155 0.00 . . . . . . . 491 ALA CB . 50694 1 839 . 1 . 1 233 233 ALA N N 15 122.356 0.46 . . . . . . . 491 ALA N . 50694 1 840 . 1 . 1 234 234 ALA H H 1 7.351 0.00 . . . . . . . 492 ALA H . 50694 1 841 . 1 . 1 234 234 ALA C C 13 172.059 0.00 . . . . . . . 492 ALA CO . 50694 1 842 . 1 . 1 234 234 ALA CA C 13 55.125 0.00 . . . . . . . 492 ALA CA . 50694 1 843 . 1 . 1 234 234 ALA CB C 13 20.164 0.00 . . . . . . . 492 ALA CB . 50694 1 844 . 1 . 1 234 234 ALA N N 15 121.743 0.01 . . . . . . . 492 ALA N . 50694 1 845 . 1 . 1 236 236 LYS H H 1 6.848 0.01 . . . . . . . 494 LYS H . 50694 1 846 . 1 . 1 236 236 LYS C C 13 177.812 0.00 . . . . . . . 494 LYS CO . 50694 1 847 . 1 . 1 236 236 LYS CA C 13 58.658 0.00 . . . . . . . 494 LYS CA . 50694 1 848 . 1 . 1 236 236 LYS CB C 13 30.749 0.00 . . . . . . . 494 LYS CB . 50694 1 849 . 1 . 1 236 236 LYS N N 15 113.997 0.02 . . . . . . . 494 LYS N . 50694 1 850 . 1 . 1 237 237 GLU H H 1 7.359 0.58 . . . . . . . 495 GLU H . 50694 1 851 . 1 . 1 237 237 GLU C C 13 176.262 0.04 . . . . . . . 495 GLU CO . 50694 1 852 . 1 . 1 237 237 GLU CA C 13 53.438 0.02 . . . . . . . 495 GLU CA . 50694 1 853 . 1 . 1 237 237 GLU CB C 13 29.127 0.11 . . . . . . . 495 GLU CB . 50694 1 854 . 1 . 1 237 237 GLU N N 15 112.063 2.23 . . . . . . . 495 GLU N . 50694 1 855 . 1 . 1 238 238 GLY H H 1 8.095 0.07 . . . . . . . 496 GLY H . 50694 1 856 . 1 . 1 238 238 GLY C C 13 174.452 0.00 . . . . . . . 496 GLY CO . 50694 1 857 . 1 . 1 238 238 GLY CA C 13 45.992 0.01 . . . . . . . 496 GLY CA . 50694 1 858 . 1 . 1 238 238 GLY N N 15 109.488 0.00 . . . . . . . 496 GLY N . 50694 1 859 . 1 . 1 239 239 LYS H H 1 7.677 0.59 . . . . . . . 497 LYS H . 50694 1 860 . 1 . 1 239 239 LYS C C 13 175.414 0.04 . . . . . . . 497 LYS CO . 50694 1 861 . 1 . 1 239 239 LYS CA C 13 52.049 0.01 . . . . . . . 497 LYS CA . 50694 1 862 . 1 . 1 239 239 LYS CB C 13 30.456 0.23 . . . . . . . 497 LYS CB . 50694 1 863 . 1 . 1 239 239 LYS N N 15 118.715 0.49 . . . . . . . 497 LYS N . 50694 1 864 . 1 . 1 240 240 PHE H H 1 8.233 1.43 . . . . . . . 498 PHE H . 50694 1 865 . 1 . 1 240 240 PHE C C 13 173.128 0.00 . . . . . . . 498 PHE CO . 50694 1 866 . 1 . 1 240 240 PHE CA C 13 56.113 0.00 . . . . . . . 498 PHE CA . 50694 1 867 . 1 . 1 240 240 PHE CB C 13 40.750 0.22 . . . . . . . 498 PHE CB . 50694 1 868 . 1 . 1 240 240 PHE N N 15 120.691 2.96 . . . . . . . 498 PHE N . 50694 1 869 . 1 . 1 241 241 ALA H H 1 9.552 0.33 . . . . . . . 499 ALA H . 50694 1 870 . 1 . 1 241 241 ALA C C 13 173.575 0.00 . . . . . . . 499 ALA CO . 50694 1 871 . 1 . 1 241 241 ALA CA C 13 50.053 0.00 . . . . . . . 499 ALA CA . 50694 1 872 . 1 . 1 241 241 ALA CB C 13 22.018 0.04 . . . . . . . 499 ALA CB . 50694 1 873 . 1 . 1 241 241 ALA N N 15 125.489 1.36 . . . . . . . 499 ALA N . 50694 1 874 . 1 . 1 242 242 ALA H H 1 9.226 0.00 . . . . . . . 500 ALA H . 50694 1 875 . 1 . 1 242 242 ALA C C 13 177.230 0.00 . . . . . . . 500 ALA CO . 50694 1 876 . 1 . 1 242 242 ALA CA C 13 48.639 0.00 . . . . . . . 500 ALA CA . 50694 1 877 . 1 . 1 242 242 ALA CB C 13 22.395 0.00 . . . . . . . 500 ALA CB . 50694 1 878 . 1 . 1 242 242 ALA N N 15 126.861 0.02 . . . . . . . 500 ALA N . 50694 1 879 . 1 . 1 246 246 GLU H H 1 8.024 0.00 . . . . . . . 504 GLU H . 50694 1 880 . 1 . 1 246 246 GLU C C 13 180.738 0.00 . . . . . . . 504 GLU CO . 50694 1 881 . 1 . 1 246 246 GLU CA C 13 59.313 0.00 . . . . . . . 504 GLU CA . 50694 1 882 . 1 . 1 246 246 GLU CB C 13 28.717 0.00 . . . . . . . 504 GLU CB . 50694 1 883 . 1 . 1 246 246 GLU N N 15 121.611 0.01 . . . . . . . 504 GLU N . 50694 1 884 . 1 . 1 247 247 MET H H 1 7.712 0.31 . . . . . . . 505 MET H . 50694 1 885 . 1 . 1 247 247 MET C C 13 176.232 0.00 . . . . . . . 505 MET CO . 50694 1 886 . 1 . 1 247 247 MET CA C 13 58.482 0.01 . . . . . . . 505 MET CA . 50694 1 887 . 1 . 1 247 247 MET CB C 13 31.858 0.06 . . . . . . . 505 MET CB . 50694 1 888 . 1 . 1 247 247 MET N N 15 119.519 2.08 . . . . . . . 505 MET N . 50694 1 889 . 1 . 1 248 248 ALA H H 1 7.366 0.04 . . . . . . . 506 ALA H . 50694 1 890 . 1 . 1 248 248 ALA C C 13 177.019 0.03 . . . . . . . 506 ALA CO . 50694 1 891 . 1 . 1 248 248 ALA CA C 13 53.579 0.03 . . . . . . . 506 ALA CA . 50694 1 892 . 1 . 1 248 248 ALA CB C 13 17.248 0.03 . . . . . . . 506 ALA CB . 50694 1 893 . 1 . 1 248 248 ALA N N 15 117.431 0.00 . . . . . . . 506 ALA N . 50694 1 894 . 1 . 1 249 249 GLY H H 1 7.406 0.10 . . . . . . . 507 GLY H . 50694 1 895 . 1 . 1 249 249 GLY C C 13 173.644 0.01 . . . . . . . 507 GLY CO . 50694 1 896 . 1 . 1 249 249 GLY CA C 13 44.921 0.01 . . . . . . . 507 GLY CA . 50694 1 897 . 1 . 1 249 249 GLY N N 15 102.835 0.00 . . . . . . . 507 GLY N . 50694 1 898 . 1 . 1 250 250 ASP H H 1 7.529 0.00 . . . . . . . 508 ASP H . 50694 1 899 . 1 . 1 250 250 ASP C C 13 176.385 0.00 . . . . . . . 508 ASP CO . 50694 1 900 . 1 . 1 250 250 ASP CA C 13 50.446 0.00 . . . . . . . 508 ASP CA . 50694 1 901 . 1 . 1 250 250 ASP CB C 13 41.987 0.00 . . . . . . . 508 ASP CB . 50694 1 902 . 1 . 1 250 250 ASP N N 15 122.939 0.02 . . . . . . . 508 ASP N . 50694 1 903 . 1 . 1 251 251 PRO C C 13 177.662 0.00 . . . . . . . 509 PRO CO . 50694 1 904 . 1 . 1 251 251 PRO CA C 13 64.679 0.00 . . . . . . . 509 PRO CA . 50694 1 905 . 1 . 1 251 251 PRO CB C 13 32.676 0.00 . . . . . . . 509 PRO CB . 50694 1 906 . 1 . 1 252 252 LEU H H 1 8.017 0.24 . . . . . . . 510 LEU H . 50694 1 907 . 1 . 1 252 252 LEU C C 13 178.964 0.02 . . . . . . . 510 LEU CO . 50694 1 908 . 1 . 1 252 252 LEU CA C 13 56.946 0.00 . . . . . . . 510 LEU CA . 50694 1 909 . 1 . 1 252 252 LEU CB C 13 40.644 0.07 . . . . . . . 510 LEU CB . 50694 1 910 . 1 . 1 252 252 LEU N N 15 117.124 2.23 . . . . . . . 510 LEU N . 50694 1 911 . 1 . 1 253 253 ALA H H 1 7.546 0.22 . . . . . . . 511 ALA H . 50694 1 912 . 1 . 1 253 253 ALA C C 13 178.772 0.01 . . . . . . . 511 ALA CO . 50694 1 913 . 1 . 1 253 253 ALA CA C 13 52.442 0.01 . . . . . . . 511 ALA CA . 50694 1 914 . 1 . 1 253 253 ALA CB C 13 19.257 0.20 . . . . . . . 511 ALA CB . 50694 1 915 . 1 . 1 253 253 ALA N N 15 120.956 1.43 . . . . . . . 511 ALA N . 50694 1 916 . 1 . 1 254 254 ALA H H 1 8.117 0.96 . . . . . . . 512 ALA H . 50694 1 917 . 1 . 1 254 254 ALA C C 13 179.054 0.00 . . . . . . . 512 ALA CO . 50694 1 918 . 1 . 1 254 254 ALA CA C 13 56.669 0.02 . . . . . . . 512 ALA CA . 50694 1 919 . 1 . 1 254 254 ALA CB C 13 18.696 0.31 . . . . . . . 512 ALA CB . 50694 1 920 . 1 . 1 254 254 ALA N N 15 122.638 0.00 . . . . . . . 512 ALA N . 50694 1 921 . 1 . 1 255 255 VAL H H 1 8.181 1.20 . . . . . . . 513 VAL H . 50694 1 922 . 1 . 1 255 255 VAL C C 13 178.511 0.00 . . . . . . . 513 VAL CO . 50694 1 923 . 1 . 1 255 255 VAL CA C 13 66.572 0.00 . . . . . . . 513 VAL CA . 50694 1 924 . 1 . 1 255 255 VAL CB C 13 30.034 0.32 . . . . . . . 513 VAL CB . 50694 1 925 . 1 . 1 255 255 VAL N N 15 116.641 1.10 . . . . . . . 513 VAL N . 50694 1 926 . 1 . 1 256 256 ILE H H 1 7.464 0.78 . . . . . . . 514 ILE H . 50694 1 927 . 1 . 1 256 256 ILE C C 13 176.957 0.02 . . . . . . . 514 ILE CO . 50694 1 928 . 1 . 1 256 256 ILE CA C 13 64.861 0.01 . . . . . . . 514 ILE CA . 50694 1 929 . 1 . 1 256 256 ILE CB C 13 37.263 0.05 . . . . . . . 514 ILE CB . 50694 1 930 . 1 . 1 256 256 ILE N N 15 118.283 0.43 . . . . . . . 514 ILE N . 50694 1 931 . 1 . 1 257 257 LEU H H 1 8.357 0.00 . . . . . . . 515 LEU H . 50694 1 932 . 1 . 1 257 257 LEU C C 13 173.533 0.00 . . . . . . . 515 LEU CO . 50694 1 933 . 1 . 1 257 257 LEU CA C 13 57.674 0.00 . . . . . . . 515 LEU CA . 50694 1 934 . 1 . 1 257 257 LEU CB C 13 39.733 0.00 . . . . . . . 515 LEU CB . 50694 1 935 . 1 . 1 257 257 LEU N N 15 118.773 0.01 . . . . . . . 515 LEU N . 50694 1 936 . 1 . 1 258 258 LEU H H 1 8.381 0.00 . . . . . . . 516 LEU H . 50694 1 937 . 1 . 1 258 258 LEU C C 13 180.734 0.00 . . . . . . . 516 LEU CO . 50694 1 938 . 1 . 1 258 258 LEU CA C 13 57.645 0.00 . . . . . . . 516 LEU CA . 50694 1 939 . 1 . 1 258 258 LEU CB C 13 42.077 0.00 . . . . . . . 516 LEU CB . 50694 1 940 . 1 . 1 259 259 GLY H H 1 8.379 0.00 . . . . . . . 517 GLY H . 50694 1 941 . 1 . 1 259 259 GLY C C 13 175.399 0.01 . . . . . . . 517 GLY CO . 50694 1 942 . 1 . 1 259 259 GLY CA C 13 45.540 0.02 . . . . . . . 517 GLY CA . 50694 1 943 . 1 . 1 259 259 GLY N N 15 107.976 0.00 . . . . . . . 517 GLY N . 50694 1 944 . 1 . 1 260 260 LEU H H 1 8.170 0.24 . . . . . . . 518 LEU H . 50694 1 945 . 1 . 1 260 260 LEU C C 13 176.822 0.00 . . . . . . . 518 LEU CO . 50694 1 946 . 1 . 1 260 260 LEU CA C 13 54.730 0.02 . . . . . . . 518 LEU CA . 50694 1 947 . 1 . 1 260 260 LEU CB C 13 41.711 0.10 . . . . . . . 518 LEU CB . 50694 1 948 . 1 . 1 260 260 LEU N N 15 121.193 0.00 . . . . . . . 518 LEU N . 50694 1 949 . 1 . 1 261 261 GLY H H 1 7.766 0.16 . . . . . . . 519 GLY H . 50694 1 950 . 1 . 1 261 261 GLY C C 13 175.036 0.00 . . . . . . . 519 GLY CO . 50694 1 951 . 1 . 1 261 261 GLY CA C 13 45.229 0.02 . . . . . . . 519 GLY CA . 50694 1 952 . 1 . 1 261 261 GLY N N 15 105.734 0.00 . . . . . . . 519 GLY N . 50694 1 953 . 1 . 1 262 262 LEU H H 1 7.838 0.31 . . . . . . . 520 LEU H . 50694 1 954 . 1 . 1 262 262 LEU C C 13 175.964 0.01 . . . . . . . 520 LEU CO . 50694 1 955 . 1 . 1 262 262 LEU CA C 13 56.453 0.01 . . . . . . . 520 LEU CA . 50694 1 956 . 1 . 1 262 262 LEU CB C 13 41.663 0.03 . . . . . . . 520 LEU CB . 50694 1 957 . 1 . 1 262 262 LEU N N 15 121.947 0.34 . . . . . . . 520 LEU N . 50694 1 958 . 1 . 1 263 263 ASP H H 1 7.791 0.41 . . . . . . . 521 ASP H . 50694 1 959 . 1 . 1 263 263 ASP C C 13 176.434 0.00 . . . . . . . 521 ASP CO . 50694 1 960 . 1 . 1 263 263 ASP CA C 13 56.555 0.02 . . . . . . . 521 ASP CA . 50694 1 961 . 1 . 1 263 263 ASP CB C 13 42.005 0.05 . . . . . . . 521 ASP CB . 50694 1 962 . 1 . 1 263 263 ASP N N 15 120.904 1.46 . . . . . . . 521 ASP N . 50694 1 963 . 1 . 1 264 264 GLU H H 1 7.386 0.00 . . . . . . . 522 GLU H . 50694 1 964 . 1 . 1 264 264 GLU C C 13 172.687 0.00 . . . . . . . 522 GLU CO . 50694 1 965 . 1 . 1 264 264 GLU CA C 13 54.249 0.00 . . . . . . . 522 GLU CA . 50694 1 966 . 1 . 1 264 264 GLU CB C 13 32.074 0.00 . . . . . . . 522 GLU CB . 50694 1 967 . 1 . 1 264 264 GLU N N 15 119.464 0.05 . . . . . . . 522 GLU N . 50694 1 968 . 1 . 1 267 267 MET H H 1 9.025 0.00 . . . . . . . 525 MET H . 50694 1 969 . 1 . 1 267 267 MET C C 13 175.882 0.00 . . . . . . . 525 MET CO . 50694 1 970 . 1 . 1 267 267 MET CA C 13 53.980 0.00 . . . . . . . 525 MET CA . 50694 1 971 . 1 . 1 267 267 MET CB C 13 36.102 0.00 . . . . . . . 525 MET CB . 50694 1 972 . 1 . 1 267 267 MET N N 15 119.368 0.04 . . . . . . . 525 MET N . 50694 1 973 . 1 . 1 268 268 SER H H 1 9.265 0.28 . . . . . . . 526 SER H . 50694 1 974 . 1 . 1 268 268 SER C C 13 177.409 0.03 . . . . . . . 526 SER CO . 50694 1 975 . 1 . 1 268 268 SER CA C 13 59.204 0.02 . . . . . . . 526 SER CA . 50694 1 976 . 1 . 1 268 268 SER CB C 13 62.228 0.49 . . . . . . . 526 SER CB . 50694 1 977 . 1 . 1 268 268 SER N N 15 119.401 0.00 . . . . . . . 526 SER N . 50694 1 978 . 1 . 1 269 269 ALA H H 1 8.711 0.88 . . . . . . . 527 ALA H . 50694 1 979 . 1 . 1 269 269 ALA C C 13 178.555 0.00 . . . . . . . 527 ALA CO . 50694 1 980 . 1 . 1 269 269 ALA CA C 13 55.386 0.01 . . . . . . . 527 ALA CA . 50694 1 981 . 1 . 1 269 269 ALA CB C 13 19.085 0.62 . . . . . . . 527 ALA CB . 50694 1 982 . 1 . 1 269 269 ALA N N 15 130.068 0.00 . . . . . . . 527 ALA N . 50694 1 983 . 1 . 1 270 270 THR H H 1 8.091 0.26 . . . . . . . 528 THR H . 50694 1 984 . 1 . 1 270 270 THR C C 13 177.449 0.00 . . . . . . . 528 THR CO . 50694 1 985 . 1 . 1 270 270 THR CA C 13 63.319 0.01 . . . . . . . 528 THR CA . 50694 1 986 . 1 . 1 270 270 THR CB C 13 68.254 0.23 . . . . . . . 528 THR CB . 50694 1 987 . 1 . 1 270 270 THR N N 15 104.392 0.00 . . . . . . . 528 THR N . 50694 1 988 . 1 . 1 271 271 SER H H 1 7.966 0.38 . . . . . . . 529 SER H . 50694 1 989 . 1 . 1 271 271 SER C C 13 173.545 0.00 . . . . . . . 529 SER CO . 50694 1 990 . 1 . 1 271 271 SER CA C 13 60.258 0.00 . . . . . . . 529 SER CA . 50694 1 991 . 1 . 1 271 271 SER CB C 13 63.565 0.13 . . . . . . . 529 SER CB . 50694 1 992 . 1 . 1 271 271 SER N N 15 120.054 1.26 . . . . . . . 529 SER N . 50694 1 993 . 1 . 1 272 272 ILE H H 1 7.582 0.00 . . . . . . . 530 ILE H . 50694 1 994 . 1 . 1 272 272 ILE C C 13 174.537 0.00 . . . . . . . 530 ILE CO . 50694 1 995 . 1 . 1 272 272 ILE CA C 13 66.553 0.00 . . . . . . . 530 ILE CA . 50694 1 996 . 1 . 1 272 272 ILE CB C 13 34.524 0.00 . . . . . . . 530 ILE CB . 50694 1 997 . 1 . 1 272 272 ILE N N 15 121.298 0.01 . . . . . . . 530 ILE N . 50694 1 998 . 1 . 1 273 273 PRO C C 13 179.898 0.00 . . . . . . . 531 PRO CO . 50694 1 999 . 1 . 1 273 273 PRO CA C 13 66.095 0.00 . . . . . . . 531 PRO CA . 50694 1 1000 . 1 . 1 273 273 PRO CB C 13 30.271 0.00 . . . . . . . 531 PRO CB . 50694 1 1001 . 1 . 1 274 274 GLU H H 1 7.675 0.05 . . . . . . . 532 GLU H . 50694 1 1002 . 1 . 1 274 274 GLU C C 13 179.099 0.01 . . . . . . . 532 GLU CO . 50694 1 1003 . 1 . 1 274 274 GLU CA C 13 58.447 0.01 . . . . . . . 532 GLU CA . 50694 1 1004 . 1 . 1 274 274 GLU CB C 13 29.237 0.30 . . . . . . . 532 GLU CB . 50694 1 1005 . 1 . 1 274 274 GLU N N 15 118.561 0.94 . . . . . . . 532 GLU N . 50694 1 1006 . 1 . 1 275 275 ILE H H 1 8.239 0.71 . . . . . . . 533 ILE H . 50694 1 1007 . 1 . 1 275 275 ILE C C 13 178.172 0.01 . . . . . . . 533 ILE CO . 50694 1 1008 . 1 . 1 275 275 ILE CA C 13 61.904 0.00 . . . . . . . 533 ILE CA . 50694 1 1009 . 1 . 1 275 275 ILE CB C 13 33.636 0.04 . . . . . . . 533 ILE CB . 50694 1 1010 . 1 . 1 275 275 ILE N N 15 120.609 1.12 . . . . . . . 533 ILE N . 50694 1 1011 . 1 . 1 276 276 LYS H H 1 8.388 0.77 . . . . . . . 534 LYS H . 50694 1 1012 . 1 . 1 276 276 LYS C C 13 177.584 0.03 . . . . . . . 534 LYS CO . 50694 1 1013 . 1 . 1 276 276 LYS CA C 13 60.185 0.02 . . . . . . . 534 LYS CA . 50694 1 1014 . 1 . 1 276 276 LYS CB C 13 30.713 0.21 . . . . . . . 534 LYS CB . 50694 1 1015 . 1 . 1 276 276 LYS N N 15 121.938 0.00 . . . . . . . 534 LYS N . 50694 1 1016 . 1 . 1 277 277 ASN H H 1 7.457 0.04 . . . . . . . 535 ASN H . 50694 1 1017 . 1 . 1 277 277 ASN C C 13 176.873 0.03 . . . . . . . 535 ASN CO . 50694 1 1018 . 1 . 1 277 277 ASN CA C 13 55.827 0.00 . . . . . . . 535 ASN CA . 50694 1 1019 . 1 . 1 277 277 ASN CB C 13 38.454 0.13 . . . . . . . 535 ASN CB . 50694 1 1020 . 1 . 1 277 277 ASN N N 15 116.903 2.65 . . . . . . . 535 ASN N . 50694 1 1021 . 1 . 1 278 278 ILE H H 1 7.407 0.00 . . . . . . . 536 ILE H . 50694 1 1022 . 1 . 1 278 278 ILE C C 13 175.464 0.00 . . . . . . . 536 ILE CO . 50694 1 1023 . 1 . 1 278 278 ILE CA C 13 64.730 0.00 . . . . . . . 536 ILE CA . 50694 1 1024 . 1 . 1 278 278 ILE CB C 13 37.174 0.00 . . . . . . . 536 ILE CB . 50694 1 1025 . 1 . 1 278 278 ILE N N 15 119.946 0.05 . . . . . . . 536 ILE N . 50694 1 1026 . 1 . 1 280 280 ARG H H 1 7.526 0.00 . . . . . . . 538 ARG H . 50694 1 1027 . 1 . 1 280 280 ARG C C 13 177.386 0.00 . . . . . . . 538 ARG CO . 50694 1 1028 . 1 . 1 280 280 ARG CA C 13 56.851 0.00 . . . . . . . 538 ARG CA . 50694 1 1029 . 1 . 1 280 280 ARG CB C 13 29.574 0.00 . . . . . . . 538 ARG CB . 50694 1 1030 . 1 . 1 280 280 ARG N N 15 116.444 0.01 . . . . . . . 538 ARG N . 50694 1 1031 . 1 . 1 281 281 ASN H H 1 7.500 0.03 . . . . . . . 539 ASN H . 50694 1 1032 . 1 . 1 281 281 ASN C C 13 174.026 0.01 . . . . . . . 539 ASN CO . 50694 1 1033 . 1 . 1 281 281 ASN CA C 13 53.376 0.04 . . . . . . . 539 ASN CA . 50694 1 1034 . 1 . 1 281 281 ASN CB C 13 41.523 0.06 . . . . . . . 539 ASN CB . 50694 1 1035 . 1 . 1 281 281 ASN N N 15 119.005 2.93 . . . . . . . 539 ASN N . 50694 1 1036 . 1 . 1 282 282 VAL H H 1 7.466 0.00 . . . . . . . 540 VAL H . 50694 1 1037 . 1 . 1 282 282 VAL C C 13 172.301 0.00 . . . . . . . 540 VAL CO . 50694 1 1038 . 1 . 1 282 282 VAL CA C 13 60.825 0.00 . . . . . . . 540 VAL CA . 50694 1 1039 . 1 . 1 282 282 VAL CB C 13 32.888 0.00 . . . . . . . 540 VAL CB . 50694 1 1040 . 1 . 1 282 282 VAL N N 15 122.390 0.02 . . . . . . . 540 VAL N . 50694 1 1041 . 1 . 1 283 283 GLU H H 1 9.111 0.00 . . . . . . . 541 GLU H . 50694 1 1042 . 1 . 1 283 283 GLU C C 13 174.625 0.00 . . . . . . . 541 GLU CO . 50694 1 1043 . 1 . 1 283 283 GLU CA C 13 56.795 0.00 . . . . . . . 541 GLU CA . 50694 1 1044 . 1 . 1 283 283 GLU N N 15 123.036 0.03 . . . . . . . 541 GLU N . 50694 1 1045 . 1 . 1 284 284 TYR H H 1 8.825 0.23 . . . . . . . 542 TYR H . 50694 1 1046 . 1 . 1 284 284 TYR C C 13 177.697 0.00 . . . . . . . 542 TYR CO . 50694 1 1047 . 1 . 1 284 284 TYR CA C 13 59.811 0.07 . . . . . . . 542 TYR CA . 50694 1 1048 . 1 . 1 284 284 TYR CB C 13 36.272 0.00 . . . . . . . 542 TYR CB . 50694 1 1049 . 1 . 1 284 284 TYR N N 15 119.142 3.21 . . . . . . . 542 TYR N . 50694 1 1050 . 1 . 1 285 285 GLU H H 1 8.637 0.00 . . . . . . . 543 GLU H . 50694 1 1051 . 1 . 1 285 285 GLU C C 13 178.630 0.00 . . . . . . . 543 GLU CO . 50694 1 1052 . 1 . 1 285 285 GLU CA C 13 59.146 0.00 . . . . . . . 543 GLU CA . 50694 1 1053 . 1 . 1 285 285 GLU CB C 13 28.322 0.00 . . . . . . . 543 GLU CB . 50694 1 1054 . 1 . 1 285 285 GLU N N 15 116.559 0.03 . . . . . . . 543 GLU N . 50694 1 1055 . 1 . 1 286 286 LYS H H 1 8.037 0.00 . . . . . . . 544 LYS H . 50694 1 1056 . 1 . 1 286 286 LYS C C 13 179.135 0.00 . . . . . . . 544 LYS CO . 50694 1 1057 . 1 . 1 286 286 LYS CA C 13 56.618 0.00 . . . . . . . 544 LYS CA . 50694 1 1058 . 1 . 1 286 286 LYS N N 15 123.930 0.02 . . . . . . . 544 LYS N . 50694 1 1059 . 1 . 1 287 287 ALA H H 1 8.258 0.25 . . . . . . . 545 ALA H . 50694 1 1060 . 1 . 1 287 287 ALA C C 13 179.695 0.12 . . . . . . . 545 ALA CO . 50694 1 1061 . 1 . 1 287 287 ALA CA C 13 54.456 0.11 . . . . . . . 545 ALA CA . 50694 1 1062 . 1 . 1 287 287 ALA CB C 13 17.380 0.24 . . . . . . . 545 ALA CB . 50694 1 1063 . 1 . 1 287 287 ALA N N 15 121.789 2.48 . . . . . . . 545 ALA N . 50694 1 1064 . 1 . 1 288 288 LYS H H 1 8.098 0.52 . . . . . . . 546 LYS H . 50694 1 1065 . 1 . 1 288 288 LYS C C 13 177.918 0.96 . . . . . . . 546 LYS CO . 50694 1 1066 . 1 . 1 288 288 LYS CA C 13 59.478 0.17 . . . . . . . 546 LYS CA . 50694 1 1067 . 1 . 1 288 288 LYS CB C 13 30.832 0.43 . . . . . . . 546 LYS CB . 50694 1 1068 . 1 . 1 288 288 LYS N N 15 118.713 0.25 . . . . . . . 546 LYS N . 50694 1 1069 . 1 . 1 289 289 GLU H H 1 7.778 0.32 . . . . . . . 547 GLU H . 50694 1 1070 . 1 . 1 289 289 GLU C C 13 179.192 0.41 . . . . . . . 547 GLU CO . 50694 1 1071 . 1 . 1 289 289 GLU CA C 13 58.770 0.17 . . . . . . . 547 GLU CA . 50694 1 1072 . 1 . 1 289 289 GLU CB C 13 28.514 0.46 . . . . . . . 547 GLU CB . 50694 1 1073 . 1 . 1 289 289 GLU N N 15 120.298 2.16 . . . . . . . 547 GLU N . 50694 1 1074 . 1 . 1 290 290 ILE H H 1 8.434 0.33 . . . . . . . 548 ILE H . 50694 1 1075 . 1 . 1 290 290 ILE C C 13 177.469 0.00 . . . . . . . 548 ILE CO . 50694 1 1076 . 1 . 1 290 290 ILE CA C 13 63.970 0.00 . . . . . . . 548 ILE CA . 50694 1 1077 . 1 . 1 290 290 ILE CB C 13 36.741 0.06 . . . . . . . 548 ILE CB . 50694 1 1078 . 1 . 1 290 290 ILE N N 15 122.595 0.23 . . . . . . . 548 ILE N . 50694 1 1079 . 1 . 1 291 291 ALA H H 1 8.737 0.09 . . . . . . . 549 ALA H . 50694 1 1080 . 1 . 1 291 291 ALA C C 13 179.526 0.95 . . . . . . . 549 ALA CO . 50694 1 1081 . 1 . 1 291 291 ALA CA C 13 54.745 0.26 . . . . . . . 549 ALA CA . 50694 1 1082 . 1 . 1 291 291 ALA CB C 13 16.763 0.75 . . . . . . . 549 ALA CB . 50694 1 1083 . 1 . 1 291 291 ALA N N 15 120.217 2.37 . . . . . . . 549 ALA N . 50694 1 1084 . 1 . 1 292 292 GLU H H 1 8.687 0.06 . . . . . . . 550 GLU H . 50694 1 1085 . 1 . 1 292 292 GLU C C 13 179.148 0.01 . . . . . . . 550 GLU CO . 50694 1 1086 . 1 . 1 292 292 GLU CA C 13 56.451 0.02 . . . . . . . 550 GLU CA . 50694 1 1087 . 1 . 1 292 292 GLU CB C 13 28.236 0.07 . . . . . . . 550 GLU CB . 50694 1 1088 . 1 . 1 292 292 GLU N N 15 117.470 0.00 . . . . . . . 550 GLU N . 50694 1 1089 . 1 . 1 293 293 LYS H H 1 8.650 0.12 . . . . . . . 551 LYS H . 50694 1 1090 . 1 . 1 293 293 LYS C C 13 177.328 0.54 . . . . . . . 551 LYS CO . 50694 1 1091 . 1 . 1 293 293 LYS CA C 13 58.809 0.18 . . . . . . . 551 LYS CA . 50694 1 1092 . 1 . 1 293 293 LYS CB C 13 30.843 0.39 . . . . . . . 551 LYS CB . 50694 1 1093 . 1 . 1 293 293 LYS N N 15 123.433 1.04 . . . . . . . 551 LYS N . 50694 1 1094 . 1 . 1 294 294 ALA H H 1 8.223 0.34 . . . . . . . 552 ALA H . 50694 1 1095 . 1 . 1 294 294 ALA C C 13 178.800 0.04 . . . . . . . 552 ALA CO . 50694 1 1096 . 1 . 1 294 294 ALA CA C 13 54.418 0.00 . . . . . . . 552 ALA CA . 50694 1 1097 . 1 . 1 294 294 ALA CB C 13 17.360 0.25 . . . . . . . 552 ALA CB . 50694 1 1098 . 1 . 1 294 294 ALA N N 15 122.238 0.00 . . . . . . . 552 ALA N . 50694 1 1099 . 1 . 1 295 295 LEU H H 1 7.601 0.27 . . . . . . . 553 LEU H . 50694 1 1100 . 1 . 1 295 295 LEU C C 13 177.582 0.02 . . . . . . . 553 LEU CO . 50694 1 1101 . 1 . 1 295 295 LEU CA C 13 57.343 0.05 . . . . . . . 553 LEU CA . 50694 1 1102 . 1 . 1 295 295 LEU CB C 13 40.194 0.08 . . . . . . . 553 LEU CB . 50694 1 1103 . 1 . 1 295 295 LEU N N 15 115.430 0.25 . . . . . . . 553 LEU N . 50694 1 1104 . 1 . 1 296 296 ASN H H 1 7.317 0.04 . . . . . . . 554 ASN H . 50694 1 1105 . 1 . 1 296 296 ASN C C 13 175.692 0.01 . . . . . . . 554 ASN CO . 50694 1 1106 . 1 . 1 296 296 ASN CA C 13 52.608 0.01 . . . . . . . 554 ASN CA . 50694 1 1107 . 1 . 1 296 296 ASN CB C 13 39.858 0.08 . . . . . . . 554 ASN CB . 50694 1 1108 . 1 . 1 296 296 ASN N N 15 122.666 0.00 . . . . . . . 554 ASN N . 50694 1 1109 . 1 . 1 297 297 MET H H 1 7.357 0.00 . . . . . . . 555 MET H . 50694 1 1110 . 1 . 1 297 297 MET C C 13 174.791 0.00 . . . . . . . 555 MET CO . 50694 1 1111 . 1 . 1 297 297 MET CA C 13 56.499 0.00 . . . . . . . 555 MET CA . 50694 1 1112 . 1 . 1 297 297 MET CB C 13 32.388 0.00 . . . . . . . 555 MET CB . 50694 1 1113 . 1 . 1 297 297 MET N N 15 122.636 0.02 . . . . . . . 555 MET N . 50694 1 1114 . 1 . 1 299 299 GLU H H 1 7.854 0.00 . . . . . . . 557 GLU H . 50694 1 1115 . 1 . 1 299 299 GLU C C 13 178.124 0.00 . . . . . . . 557 GLU CO . 50694 1 1116 . 1 . 1 299 299 GLU CA C 13 60.305 0.00 . . . . . . . 557 GLU CA . 50694 1 1117 . 1 . 1 299 299 GLU CB C 13 29.476 0.00 . . . . . . . 557 GLU CB . 50694 1 1118 . 1 . 1 299 299 GLU N N 15 120.849 0.01 . . . . . . . 557 GLU N . 50694 1 1119 . 1 . 1 300 300 ALA H H 1 8.319 0.65 . . . . . . . 558 ALA H . 50694 1 1120 . 1 . 1 300 300 ALA C C 13 179.831 0.10 . . . . . . . 558 ALA CO . 50694 1 1121 . 1 . 1 300 300 ALA CA C 13 55.221 0.59 . . . . . . . 558 ALA CA . 50694 1 1122 . 1 . 1 300 300 ALA CB C 13 19.461 0.00 . . . . . . . 558 ALA CB . 50694 1 1123 . 1 . 1 300 300 ALA N N 15 119.586 1.80 . . . . . . . 558 ALA N . 50694 1 1124 . 1 . 1 301 301 GLU H H 1 8.158 1.10 . . . . . . . 559 GLU H . 50694 1 1125 . 1 . 1 301 301 GLU C C 13 179.166 0.00 . . . . . . . 559 GLU CO . 50694 1 1126 . 1 . 1 301 301 GLU CA C 13 59.179 0.03 . . . . . . . 559 GLU CA . 50694 1 1127 . 1 . 1 301 301 GLU CB C 13 28.566 0.47 . . . . . . . 559 GLU CB . 50694 1 1128 . 1 . 1 301 301 GLU N N 15 117.718 0.69 . . . . . . . 559 GLU N . 50694 1 1129 . 1 . 1 302 302 GLU H H 1 7.219 0.18 . . . . . . . 560 GLU H . 50694 1 1130 . 1 . 1 302 302 GLU C C 13 179.423 0.03 . . . . . . . 560 GLU CO . 50694 1 1131 . 1 . 1 302 302 GLU CA C 13 57.981 0.01 . . . . . . . 560 GLU CA . 50694 1 1132 . 1 . 1 302 302 GLU CB C 13 28.765 0.08 . . . . . . . 560 GLU CB . 50694 1 1133 . 1 . 1 302 302 GLU N N 15 120.417 2.35 . . . . . . . 560 GLU N . 50694 1 1134 . 1 . 1 303 303 ILE H H 1 7.899 0.54 . . . . . . . 561 ILE H . 50694 1 1135 . 1 . 1 303 303 ILE C C 13 177.757 0.01 . . . . . . . 561 ILE CO . 50694 1 1136 . 1 . 1 303 303 ILE CA C 13 65.093 0.01 . . . . . . . 561 ILE CA . 50694 1 1137 . 1 . 1 303 303 ILE CB C 13 36.775 0.16 . . . . . . . 561 ILE CB . 50694 1 1138 . 1 . 1 303 303 ILE N N 15 122.425 0.81 . . . . . . . 561 ILE N . 50694 1 1139 . 1 . 1 304 304 GLU H H 1 8.176 0.40 . . . . . . . 562 GLU H . 50694 1 1140 . 1 . 1 304 304 GLU C C 13 178.079 0.00 . . . . . . . 562 GLU CO . 50694 1 1141 . 1 . 1 304 304 GLU CA C 13 59.980 0.02 . . . . . . . 562 GLU CA . 50694 1 1142 . 1 . 1 304 304 GLU CB C 13 28.888 0.05 . . . . . . . 562 GLU CB . 50694 1 1143 . 1 . 1 304 304 GLU N N 15 120.029 1.68 . . . . . . . 562 GLU N . 50694 1 1144 . 1 . 1 305 305 LYS H H 1 7.645 0.08 . . . . . . . 563 LYS H . 50694 1 1145 . 1 . 1 305 305 LYS C C 13 179.172 0.01 . . . . . . . 563 LYS CO . 50694 1 1146 . 1 . 1 305 305 LYS CA C 13 59.355 0.04 . . . . . . . 563 LYS CA . 50694 1 1147 . 1 . 1 305 305 LYS CB C 13 31.364 0.05 . . . . . . . 563 LYS CB . 50694 1 1148 . 1 . 1 305 305 LYS N N 15 118.883 0.93 . . . . . . . 563 LYS N . 50694 1 1149 . 1 . 1 306 306 MET H H 1 7.938 0.45 . . . . . . . 564 MET H . 50694 1 1150 . 1 . 1 306 306 MET C C 13 178.892 0.00 . . . . . . . 564 MET CO . 50694 1 1151 . 1 . 1 306 306 MET CA C 13 58.303 0.02 . . . . . . . 564 MET CA . 50694 1 1152 . 1 . 1 306 306 MET CB C 13 31.648 0.00 . . . . . . . 564 MET CB . 50694 1 1153 . 1 . 1 306 306 MET N N 15 119.157 0.92 . . . . . . . 564 MET N . 50694 1 1154 . 1 . 1 307 307 MET H H 1 8.456 0.00 . . . . . . . 565 MET H . 50694 1 1155 . 1 . 1 307 307 MET C C 13 178.873 0.00 . . . . . . . 565 MET CO . 50694 1 1156 . 1 . 1 307 307 MET CA C 13 55.560 0.00 . . . . . . . 565 MET CA . 50694 1 1157 . 1 . 1 307 307 MET CB C 13 31.839 0.00 . . . . . . . 565 MET CB . 50694 1 1158 . 1 . 1 307 307 MET N N 15 118.098 0.02 . . . . . . . 565 MET N . 50694 1 1159 . 1 . 1 308 308 LYS H H 1 7.305 0.00 . . . . . . . 566 LYS H . 50694 1 1160 . 1 . 1 308 308 LYS C C 13 179.455 0.00 . . . . . . . 566 LYS CO . 50694 1 1161 . 1 . 1 308 308 LYS CA C 13 59.300 0.00 . . . . . . . 566 LYS CA . 50694 1 1162 . 1 . 1 308 308 LYS CB C 13 30.688 0.00 . . . . . . . 566 LYS CB . 50694 1 1163 . 1 . 1 308 308 LYS N N 15 119.252 0.00 . . . . . . . 566 LYS N . 50694 1 1164 . 1 . 1 309 309 ASP H H 1 7.304 0.00 . . . . . . . 567 ASP H . 50694 1 1165 . 1 . 1 309 309 ASP C C 13 178.257 0.00 . . . . . . . 567 ASP CO . 50694 1 1166 . 1 . 1 309 309 ASP CA C 13 56.530 0.00 . . . . . . . 567 ASP CA . 50694 1 1167 . 1 . 1 309 309 ASP CB C 13 39.918 0.00 . . . . . . . 567 ASP CB . 50694 1 1168 . 1 . 1 309 309 ASP N N 15 119.274 0.04 . . . . . . . 567 ASP N . 50694 1 1169 . 1 . 1 310 310 VAL H H 1 7.878 0.00 . . . . . . . 568 VAL H . 50694 1 1170 . 1 . 1 310 310 VAL C C 13 178.607 0.00 . . . . . . . 568 VAL CO . 50694 1 1171 . 1 . 1 310 310 VAL CA C 13 65.384 0.00 . . . . . . . 568 VAL CA . 50694 1 1172 . 1 . 1 310 310 VAL CB C 13 32.208 0.00 . . . . . . . 568 VAL CB . 50694 1 1173 . 1 . 1 310 310 VAL N N 15 114.005 0.08 . . . . . . . 568 VAL N . 50694 1 1174 . 1 . 1 311 311 ILE H H 1 7.719 0.18 . . . . . . . 569 ILE H . 50694 1 1175 . 1 . 1 311 311 ILE C C 13 178.376 0.01 . . . . . . . 569 ILE CO . 50694 1 1176 . 1 . 1 311 311 ILE CA C 13 61.874 0.01 . . . . . . . 569 ILE CA . 50694 1 1177 . 1 . 1 311 311 ILE CB C 13 37.069 0.16 . . . . . . . 569 ILE CB . 50694 1 1178 . 1 . 1 311 311 ILE N N 15 114.000 0.00 . . . . . . . 569 ILE N . 50694 1 1179 . 1 . 1 312 312 LYS H H 1 7.685 0.20 . . . . . . . 570 LYS H . 50694 1 1180 . 1 . 1 312 312 LYS C C 13 177.437 0.00 . . . . . . . 570 LYS CO . 50694 1 1181 . 1 . 1 312 312 LYS CA C 13 58.334 0.01 . . . . . . . 570 LYS CA . 50694 1 1182 . 1 . 1 312 312 LYS CB C 13 31.174 0.09 . . . . . . . 570 LYS CB . 50694 1 1183 . 1 . 1 312 312 LYS N N 15 121.482 2.24 . . . . . . . 570 LYS N . 50694 1 1184 . 1 . 1 313 313 ASP H H 1 7.732 0.22 . . . . . . . 571 ASP H . 50694 1 1185 . 1 . 1 313 313 ASP C C 13 176.517 0.00 . . . . . . . 571 ASP CO . 50694 1 1186 . 1 . 1 313 313 ASP CA C 13 54.570 0.03 . . . . . . . 571 ASP CA . 50694 1 1187 . 1 . 1 313 313 ASP CB C 13 40.686 0.04 . . . . . . . 571 ASP CB . 50694 1 1188 . 1 . 1 313 313 ASP N N 15 119.433 0.67 . . . . . . . 571 ASP N . 50694 1 1189 . 1 . 1 314 314 ILE H H 1 7.628 0.18 . . . . . . . 572 ILE H . 50694 1 1190 . 1 . 1 314 314 ILE C C 13 175.976 0.01 . . . . . . . 572 ILE CO . 50694 1 1191 . 1 . 1 314 314 ILE CA C 13 62.004 0.01 . . . . . . . 572 ILE CA . 50694 1 1192 . 1 . 1 314 314 ILE CB C 13 37.514 0.02 . . . . . . . 572 ILE CB . 50694 1 1193 . 1 . 1 314 314 ILE N N 15 119.252 1.10 . . . . . . . 572 ILE N . 50694 1 1194 . 1 . 1 315 315 GLY H H 1 7.830 0.00 . . . . . . . 573 GLY H . 50694 1 1195 . 1 . 1 315 315 GLY C C 13 175.951 0.00 . . . . . . . 573 GLY CO . 50694 1 1196 . 1 . 1 315 315 GLY CA C 13 45.976 0.00 . . . . . . . 573 GLY CA . 50694 1 1197 . 1 . 1 315 315 GLY N N 15 117.987 0.02 . . . . . . . 573 GLY N . 50694 1 stop_ save_