data_25674 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25674 _Entry.Title ; Backbone Assignment of the MALT1 Paracaspase by Solution NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-25 _Entry.Accession_date 2015-06-25 _Entry.Last_release_date 2016-01-29 _Entry.Original_release_date 2016-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.93 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sofia Unnerstaale . . . . 25674 2 Michal Nowakowski . . . . 25674 3 Maxim Mayzel . . . . 25674 4 Vladislav Orekhov . . . . 25674 5 Tatiana Agback . . . . 25674 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25674 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 864 25674 '15N chemical shifts' 272 25674 '1H chemical shifts' 272 25674 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 . . 2016-01-29 . original BMRB . 25674 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25674 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26788853 _Citation.Full_citation . _Citation.Title ; Backbone Assignment of the MALT1 Paracaspase by Solution NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _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 e0146496 _Citation.Page_last e0146496 _Citation.Year 2016 _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 Sofia Unnerstaale . . . . 25674 1 2 Michal Nowakowski . . . . 25674 1 3 Vera Baraznenok . . . . 25674 1 4 Gun Stenberg . . . . 25674 1 5 Jimmy Lindberg . . . . 25674 1 6 Maxim Mayzel . . . . 25674 1 7 Vladislav Orekhov . . . . 25674 1 8 Tatiana Agback . . . . 25674 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MALT1 25674 1 paracaspase 25674 1 'protein backbone assignment' 25674 1 'targeted acquisition' 25674 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25674 _Assembly.ID 1 _Assembly.Name 'MALT1 subunit 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MALT1 subunit 1' 1 $MALT1(Casp-Ig3) A . yes native no no . . . 25674 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MALT1(Casp-Ig3) _Entity.Sf_category entity _Entity.Sf_framecode MALT1(Casp-Ig3) _Entity.Entry_ID 25674 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MALT1(Casp-Ig3) _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 ; MLAKDKVALLIGNMNYREHP KLKAPLVDVYELTNLLRQLD FKVVSLLDLTEYEMRNAVDE FLLLLDKGVYGLLYYAGHGY ENFGNSFMVPVDAPNPYRSE NCLCVQNILKLMQEKETGLN VFLLDMCRKRNDYDDTIPIL DALKVTANIVFGYATCQGAE AFEIQHSGLANGIFMKFLKD RLLEDKKITVLLDEVAEDMG KCHLTKGKQALEIRSSLSEK RALTDPIQGTEYSAESLVRN LQWAKAHELPESMCLKFDCG VQIQLGFAAEFSNVMIIYTS IVYKPPEIIMCDAYVTDFPL DLDIDPKDANKGTPEETGSY LVSKDLPKHCLYTRLSSLQK LKEHLVFTVCLSYQYSGLED TVEDKQEVNVGKPLIAKLDM HRHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '338M-719R + Histag' _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 388 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 44130 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) has a central role in transcription factor NF- B signaling. ; 25674 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 338 MET . 25674 1 2 339 LEU . 25674 1 3 340 ALA . 25674 1 4 341 LYS . 25674 1 5 342 ASP . 25674 1 6 343 LYS . 25674 1 7 344 VAL . 25674 1 8 345 ALA . 25674 1 9 346 LEU . 25674 1 10 347 LEU . 25674 1 11 348 ILE . 25674 1 12 349 GLY . 25674 1 13 350 ASN . 25674 1 14 351 MET . 25674 1 15 352 ASN . 25674 1 16 353 TYR . 25674 1 17 354 ARG . 25674 1 18 355 GLU . 25674 1 19 356 HIS . 25674 1 20 357 PRO . 25674 1 21 358 LYS . 25674 1 22 359 LEU . 25674 1 23 360 LYS . 25674 1 24 361 ALA . 25674 1 25 362 PRO . 25674 1 26 363 LEU . 25674 1 27 364 VAL . 25674 1 28 365 ASP . 25674 1 29 366 VAL . 25674 1 30 367 TYR . 25674 1 31 368 GLU . 25674 1 32 369 LEU . 25674 1 33 370 THR . 25674 1 34 371 ASN . 25674 1 35 372 LEU . 25674 1 36 373 LEU . 25674 1 37 374 ARG . 25674 1 38 375 GLN . 25674 1 39 376 LEU . 25674 1 40 377 ASP . 25674 1 41 378 PHE . 25674 1 42 379 LYS . 25674 1 43 380 VAL . 25674 1 44 381 VAL . 25674 1 45 382 SER . 25674 1 46 383 LEU . 25674 1 47 384 LEU . 25674 1 48 385 ASP . 25674 1 49 386 LEU . 25674 1 50 387 THR . 25674 1 51 388 GLU . 25674 1 52 389 TYR . 25674 1 53 390 GLU . 25674 1 54 391 MET . 25674 1 55 392 ARG . 25674 1 56 393 ASN . 25674 1 57 394 ALA . 25674 1 58 395 VAL . 25674 1 59 396 ASP . 25674 1 60 397 GLU . 25674 1 61 398 PHE . 25674 1 62 399 LEU . 25674 1 63 400 LEU . 25674 1 64 401 LEU . 25674 1 65 402 LEU . 25674 1 66 403 ASP . 25674 1 67 404 LYS . 25674 1 68 405 GLY . 25674 1 69 406 VAL . 25674 1 70 407 TYR . 25674 1 71 408 GLY . 25674 1 72 409 LEU . 25674 1 73 410 LEU . 25674 1 74 411 TYR . 25674 1 75 412 TYR . 25674 1 76 413 ALA . 25674 1 77 414 GLY . 25674 1 78 415 HIS . 25674 1 79 416 GLY . 25674 1 80 417 TYR . 25674 1 81 418 GLU . 25674 1 82 419 ASN . 25674 1 83 420 PHE . 25674 1 84 421 GLY . 25674 1 85 422 ASN . 25674 1 86 423 SER . 25674 1 87 424 PHE . 25674 1 88 425 MET . 25674 1 89 426 VAL . 25674 1 90 427 PRO . 25674 1 91 428 VAL . 25674 1 92 429 ASP . 25674 1 93 430 ALA . 25674 1 94 431 PRO . 25674 1 95 432 ASN . 25674 1 96 433 PRO . 25674 1 97 434 TYR . 25674 1 98 435 ARG . 25674 1 99 436 SER . 25674 1 100 437 GLU . 25674 1 101 438 ASN . 25674 1 102 439 CYS . 25674 1 103 440 LEU . 25674 1 104 441 CYS . 25674 1 105 442 VAL . 25674 1 106 443 GLN . 25674 1 107 444 ASN . 25674 1 108 445 ILE . 25674 1 109 446 LEU . 25674 1 110 447 LYS . 25674 1 111 448 LEU . 25674 1 112 449 MET . 25674 1 113 450 GLN . 25674 1 114 451 GLU . 25674 1 115 452 LYS . 25674 1 116 453 GLU . 25674 1 117 454 THR . 25674 1 118 455 GLY . 25674 1 119 456 LEU . 25674 1 120 457 ASN . 25674 1 121 458 VAL . 25674 1 122 459 PHE . 25674 1 123 460 LEU . 25674 1 124 461 LEU . 25674 1 125 462 ASP . 25674 1 126 463 MET . 25674 1 127 464 CYS . 25674 1 128 465 ARG . 25674 1 129 466 LYS . 25674 1 130 467 ARG . 25674 1 131 468 ASN . 25674 1 132 469 ASP . 25674 1 133 470 TYR . 25674 1 134 471 ASP . 25674 1 135 472 ASP . 25674 1 136 473 THR . 25674 1 137 474 ILE . 25674 1 138 475 PRO . 25674 1 139 476 ILE . 25674 1 140 477 LEU . 25674 1 141 478 ASP . 25674 1 142 479 ALA . 25674 1 143 480 LEU . 25674 1 144 481 LYS . 25674 1 145 482 VAL . 25674 1 146 483 THR . 25674 1 147 484 ALA . 25674 1 148 485 ASN . 25674 1 149 486 ILE . 25674 1 150 487 VAL . 25674 1 151 488 PHE . 25674 1 152 489 GLY . 25674 1 153 490 TYR . 25674 1 154 491 ALA . 25674 1 155 492 THR . 25674 1 156 493 CYS . 25674 1 157 494 GLN . 25674 1 158 495 GLY . 25674 1 159 496 ALA . 25674 1 160 497 GLU . 25674 1 161 498 ALA . 25674 1 162 499 PHE . 25674 1 163 500 GLU . 25674 1 164 501 ILE . 25674 1 165 502 GLN . 25674 1 166 503 HIS . 25674 1 167 504 SER . 25674 1 168 505 GLY . 25674 1 169 506 LEU . 25674 1 170 507 ALA . 25674 1 171 508 ASN . 25674 1 172 509 GLY . 25674 1 173 510 ILE . 25674 1 174 511 PHE . 25674 1 175 512 MET . 25674 1 176 513 LYS . 25674 1 177 514 PHE . 25674 1 178 515 LEU . 25674 1 179 516 LYS . 25674 1 180 517 ASP . 25674 1 181 518 ARG . 25674 1 182 519 LEU . 25674 1 183 520 LEU . 25674 1 184 521 GLU . 25674 1 185 522 ASP . 25674 1 186 523 LYS . 25674 1 187 524 LYS . 25674 1 188 525 ILE . 25674 1 189 526 THR . 25674 1 190 527 VAL . 25674 1 191 528 LEU . 25674 1 192 529 LEU . 25674 1 193 530 ASP . 25674 1 194 531 GLU . 25674 1 195 532 VAL . 25674 1 196 533 ALA . 25674 1 197 534 GLU . 25674 1 198 535 ASP . 25674 1 199 536 MET . 25674 1 200 537 GLY . 25674 1 201 538 LYS . 25674 1 202 539 CYS . 25674 1 203 540 HIS . 25674 1 204 541 LEU . 25674 1 205 542 THR . 25674 1 206 543 LYS . 25674 1 207 544 GLY . 25674 1 208 545 LYS . 25674 1 209 546 GLN . 25674 1 210 547 ALA . 25674 1 211 548 LEU . 25674 1 212 549 GLU . 25674 1 213 550 ILE . 25674 1 214 551 ARG . 25674 1 215 552 SER . 25674 1 216 553 SER . 25674 1 217 554 LEU . 25674 1 218 555 SER . 25674 1 219 556 GLU . 25674 1 220 557 LYS . 25674 1 221 558 ARG . 25674 1 222 559 ALA . 25674 1 223 560 LEU . 25674 1 224 561 THR . 25674 1 225 562 ASP . 25674 1 226 563 PRO . 25674 1 227 564 ILE . 25674 1 228 565 GLN . 25674 1 229 566 GLY . 25674 1 230 567 THR . 25674 1 231 568 GLU . 25674 1 232 569 TYR . 25674 1 233 570 SER . 25674 1 234 571 ALA . 25674 1 235 572 GLU . 25674 1 236 573 SER . 25674 1 237 574 LEU . 25674 1 238 575 VAL . 25674 1 239 576 ARG . 25674 1 240 577 ASN . 25674 1 241 578 LEU . 25674 1 242 579 GLN . 25674 1 243 580 TRP . 25674 1 244 581 ALA . 25674 1 245 582 LYS . 25674 1 246 583 ALA . 25674 1 247 584 HIS . 25674 1 248 585 GLU . 25674 1 249 586 LEU . 25674 1 250 587 PRO . 25674 1 251 588 GLU . 25674 1 252 589 SER . 25674 1 253 590 MET . 25674 1 254 591 CYS . 25674 1 255 592 LEU . 25674 1 256 593 LYS . 25674 1 257 594 PHE . 25674 1 258 595 ASP . 25674 1 259 596 CYS . 25674 1 260 597 GLY . 25674 1 261 598 VAL . 25674 1 262 599 GLN . 25674 1 263 600 ILE . 25674 1 264 601 GLN . 25674 1 265 602 LEU . 25674 1 266 603 GLY . 25674 1 267 604 PHE . 25674 1 268 605 ALA . 25674 1 269 606 ALA . 25674 1 270 607 GLU . 25674 1 271 608 PHE . 25674 1 272 609 SER . 25674 1 273 610 ASN . 25674 1 274 611 VAL . 25674 1 275 612 MET . 25674 1 276 613 ILE . 25674 1 277 614 ILE . 25674 1 278 615 TYR . 25674 1 279 616 THR . 25674 1 280 617 SER . 25674 1 281 618 ILE . 25674 1 282 619 VAL . 25674 1 283 620 TYR . 25674 1 284 621 LYS . 25674 1 285 622 PRO . 25674 1 286 623 PRO . 25674 1 287 624 GLU . 25674 1 288 625 ILE . 25674 1 289 626 ILE . 25674 1 290 627 MET . 25674 1 291 628 CYS . 25674 1 292 629 ASP . 25674 1 293 630 ALA . 25674 1 294 631 TYR . 25674 1 295 632 VAL . 25674 1 296 633 THR . 25674 1 297 634 ASP . 25674 1 298 635 PHE . 25674 1 299 636 PRO . 25674 1 300 637 LEU . 25674 1 301 638 ASP . 25674 1 302 639 LEU . 25674 1 303 640 ASP . 25674 1 304 641 ILE . 25674 1 305 642 ASP . 25674 1 306 643 PRO . 25674 1 307 644 LYS . 25674 1 308 645 ASP . 25674 1 309 646 ALA . 25674 1 310 647 ASN . 25674 1 311 648 LYS . 25674 1 312 649 GLY . 25674 1 313 650 THR . 25674 1 314 651 PRO . 25674 1 315 652 GLU . 25674 1 316 653 GLU . 25674 1 317 654 THR . 25674 1 318 655 GLY . 25674 1 319 656 SER . 25674 1 320 657 TYR . 25674 1 321 658 LEU . 25674 1 322 659 VAL . 25674 1 323 660 SER . 25674 1 324 661 LYS . 25674 1 325 662 ASP . 25674 1 326 663 LEU . 25674 1 327 664 PRO . 25674 1 328 665 LYS . 25674 1 329 666 HIS . 25674 1 330 667 CYS . 25674 1 331 668 LEU . 25674 1 332 669 TYR . 25674 1 333 670 THR . 25674 1 334 671 ARG . 25674 1 335 672 LEU . 25674 1 336 673 SER . 25674 1 337 674 SER . 25674 1 338 675 LEU . 25674 1 339 676 GLN . 25674 1 340 677 LYS . 25674 1 341 678 LEU . 25674 1 342 679 LYS . 25674 1 343 680 GLU . 25674 1 344 681 HIS . 25674 1 345 682 LEU . 25674 1 346 683 VAL . 25674 1 347 684 PHE . 25674 1 348 685 THR . 25674 1 349 686 VAL . 25674 1 350 687 CYS . 25674 1 351 688 LEU . 25674 1 352 689 SER . 25674 1 353 690 TYR . 25674 1 354 691 GLN . 25674 1 355 692 TYR . 25674 1 356 693 SER . 25674 1 357 694 GLY . 25674 1 358 695 LEU . 25674 1 359 696 GLU . 25674 1 360 697 ASP . 25674 1 361 698 THR . 25674 1 362 699 VAL . 25674 1 363 700 GLU . 25674 1 364 701 ASP . 25674 1 365 702 LYS . 25674 1 366 703 GLN . 25674 1 367 704 GLU . 25674 1 368 705 VAL . 25674 1 369 706 ASN . 25674 1 370 707 VAL . 25674 1 371 708 GLY . 25674 1 372 709 LYS . 25674 1 373 710 PRO . 25674 1 374 711 LEU . 25674 1 375 712 ILE . 25674 1 376 713 ALA . 25674 1 377 714 LYS . 25674 1 378 715 LEU . 25674 1 379 716 ASP . 25674 1 380 717 MET . 25674 1 381 718 HIS . 25674 1 382 719 ARG . 25674 1 383 720 HIS . 25674 1 384 721 HIS . 25674 1 385 722 HIS . 25674 1 386 723 HIS . 25674 1 387 724 HIS . 25674 1 388 725 HIS . 25674 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 . MET 1 1 25674 1 . LEU 2 2 25674 1 . ALA 3 3 25674 1 . LYS 4 4 25674 1 . ASP 5 5 25674 1 . LYS 6 6 25674 1 . VAL 7 7 25674 1 . ALA 8 8 25674 1 . LEU 9 9 25674 1 . LEU 10 10 25674 1 . ILE 11 11 25674 1 . GLY 12 12 25674 1 . ASN 13 13 25674 1 . MET 14 14 25674 1 . ASN 15 15 25674 1 . TYR 16 16 25674 1 . ARG 17 17 25674 1 . GLU 18 18 25674 1 . HIS 19 19 25674 1 . PRO 20 20 25674 1 . LYS 21 21 25674 1 . LEU 22 22 25674 1 . LYS 23 23 25674 1 . ALA 24 24 25674 1 . PRO 25 25 25674 1 . LEU 26 26 25674 1 . VAL 27 27 25674 1 . ASP 28 28 25674 1 . VAL 29 29 25674 1 . TYR 30 30 25674 1 . GLU 31 31 25674 1 . LEU 32 32 25674 1 . THR 33 33 25674 1 . ASN 34 34 25674 1 . LEU 35 35 25674 1 . LEU 36 36 25674 1 . ARG 37 37 25674 1 . GLN 38 38 25674 1 . LEU 39 39 25674 1 . ASP 40 40 25674 1 . PHE 41 41 25674 1 . LYS 42 42 25674 1 . VAL 43 43 25674 1 . VAL 44 44 25674 1 . SER 45 45 25674 1 . LEU 46 46 25674 1 . LEU 47 47 25674 1 . ASP 48 48 25674 1 . LEU 49 49 25674 1 . THR 50 50 25674 1 . GLU 51 51 25674 1 . TYR 52 52 25674 1 . GLU 53 53 25674 1 . MET 54 54 25674 1 . ARG 55 55 25674 1 . ASN 56 56 25674 1 . ALA 57 57 25674 1 . VAL 58 58 25674 1 . ASP 59 59 25674 1 . GLU 60 60 25674 1 . PHE 61 61 25674 1 . LEU 62 62 25674 1 . LEU 63 63 25674 1 . LEU 64 64 25674 1 . LEU 65 65 25674 1 . ASP 66 66 25674 1 . LYS 67 67 25674 1 . GLY 68 68 25674 1 . VAL 69 69 25674 1 . TYR 70 70 25674 1 . GLY 71 71 25674 1 . LEU 72 72 25674 1 . LEU 73 73 25674 1 . TYR 74 74 25674 1 . TYR 75 75 25674 1 . ALA 76 76 25674 1 . GLY 77 77 25674 1 . HIS 78 78 25674 1 . GLY 79 79 25674 1 . TYR 80 80 25674 1 . GLU 81 81 25674 1 . ASN 82 82 25674 1 . PHE 83 83 25674 1 . GLY 84 84 25674 1 . ASN 85 85 25674 1 . SER 86 86 25674 1 . PHE 87 87 25674 1 . MET 88 88 25674 1 . VAL 89 89 25674 1 . PRO 90 90 25674 1 . VAL 91 91 25674 1 . ASP 92 92 25674 1 . ALA 93 93 25674 1 . PRO 94 94 25674 1 . ASN 95 95 25674 1 . PRO 96 96 25674 1 . TYR 97 97 25674 1 . ARG 98 98 25674 1 . SER 99 99 25674 1 . GLU 100 100 25674 1 . ASN 101 101 25674 1 . CYS 102 102 25674 1 . LEU 103 103 25674 1 . CYS 104 104 25674 1 . VAL 105 105 25674 1 . GLN 106 106 25674 1 . ASN 107 107 25674 1 . ILE 108 108 25674 1 . LEU 109 109 25674 1 . LYS 110 110 25674 1 . LEU 111 111 25674 1 . MET 112 112 25674 1 . GLN 113 113 25674 1 . GLU 114 114 25674 1 . LYS 115 115 25674 1 . GLU 116 116 25674 1 . THR 117 117 25674 1 . GLY 118 118 25674 1 . LEU 119 119 25674 1 . ASN 120 120 25674 1 . VAL 121 121 25674 1 . PHE 122 122 25674 1 . LEU 123 123 25674 1 . LEU 124 124 25674 1 . ASP 125 125 25674 1 . MET 126 126 25674 1 . CYS 127 127 25674 1 . ARG 128 128 25674 1 . LYS 129 129 25674 1 . ARG 130 130 25674 1 . ASN 131 131 25674 1 . ASP 132 132 25674 1 . TYR 133 133 25674 1 . ASP 134 134 25674 1 . ASP 135 135 25674 1 . THR 136 136 25674 1 . ILE 137 137 25674 1 . PRO 138 138 25674 1 . ILE 139 139 25674 1 . LEU 140 140 25674 1 . ASP 141 141 25674 1 . ALA 142 142 25674 1 . LEU 143 143 25674 1 . LYS 144 144 25674 1 . VAL 145 145 25674 1 . THR 146 146 25674 1 . ALA 147 147 25674 1 . ASN 148 148 25674 1 . ILE 149 149 25674 1 . VAL 150 150 25674 1 . PHE 151 151 25674 1 . GLY 152 152 25674 1 . TYR 153 153 25674 1 . ALA 154 154 25674 1 . THR 155 155 25674 1 . CYS 156 156 25674 1 . GLN 157 157 25674 1 . GLY 158 158 25674 1 . ALA 159 159 25674 1 . GLU 160 160 25674 1 . ALA 161 161 25674 1 . PHE 162 162 25674 1 . GLU 163 163 25674 1 . ILE 164 164 25674 1 . GLN 165 165 25674 1 . HIS 166 166 25674 1 . SER 167 167 25674 1 . GLY 168 168 25674 1 . LEU 169 169 25674 1 . ALA 170 170 25674 1 . ASN 171 171 25674 1 . GLY 172 172 25674 1 . ILE 173 173 25674 1 . PHE 174 174 25674 1 . MET 175 175 25674 1 . LYS 176 176 25674 1 . PHE 177 177 25674 1 . LEU 178 178 25674 1 . LYS 179 179 25674 1 . ASP 180 180 25674 1 . ARG 181 181 25674 1 . LEU 182 182 25674 1 . LEU 183 183 25674 1 . GLU 184 184 25674 1 . ASP 185 185 25674 1 . LYS 186 186 25674 1 . LYS 187 187 25674 1 . ILE 188 188 25674 1 . THR 189 189 25674 1 . VAL 190 190 25674 1 . LEU 191 191 25674 1 . LEU 192 192 25674 1 . ASP 193 193 25674 1 . GLU 194 194 25674 1 . VAL 195 195 25674 1 . ALA 196 196 25674 1 . GLU 197 197 25674 1 . ASP 198 198 25674 1 . MET 199 199 25674 1 . GLY 200 200 25674 1 . LYS 201 201 25674 1 . CYS 202 202 25674 1 . HIS 203 203 25674 1 . LEU 204 204 25674 1 . THR 205 205 25674 1 . LYS 206 206 25674 1 . GLY 207 207 25674 1 . LYS 208 208 25674 1 . GLN 209 209 25674 1 . ALA 210 210 25674 1 . LEU 211 211 25674 1 . GLU 212 212 25674 1 . ILE 213 213 25674 1 . ARG 214 214 25674 1 . SER 215 215 25674 1 . SER 216 216 25674 1 . LEU 217 217 25674 1 . SER 218 218 25674 1 . GLU 219 219 25674 1 . LYS 220 220 25674 1 . ARG 221 221 25674 1 . ALA 222 222 25674 1 . LEU 223 223 25674 1 . THR 224 224 25674 1 . ASP 225 225 25674 1 . PRO 226 226 25674 1 . ILE 227 227 25674 1 . GLN 228 228 25674 1 . GLY 229 229 25674 1 . THR 230 230 25674 1 . GLU 231 231 25674 1 . TYR 232 232 25674 1 . SER 233 233 25674 1 . ALA 234 234 25674 1 . GLU 235 235 25674 1 . SER 236 236 25674 1 . LEU 237 237 25674 1 . VAL 238 238 25674 1 . ARG 239 239 25674 1 . ASN 240 240 25674 1 . LEU 241 241 25674 1 . GLN 242 242 25674 1 . TRP 243 243 25674 1 . ALA 244 244 25674 1 . LYS 245 245 25674 1 . ALA 246 246 25674 1 . HIS 247 247 25674 1 . GLU 248 248 25674 1 . LEU 249 249 25674 1 . PRO 250 250 25674 1 . GLU 251 251 25674 1 . SER 252 252 25674 1 . MET 253 253 25674 1 . CYS 254 254 25674 1 . LEU 255 255 25674 1 . LYS 256 256 25674 1 . PHE 257 257 25674 1 . ASP 258 258 25674 1 . CYS 259 259 25674 1 . GLY 260 260 25674 1 . VAL 261 261 25674 1 . GLN 262 262 25674 1 . ILE 263 263 25674 1 . GLN 264 264 25674 1 . LEU 265 265 25674 1 . GLY 266 266 25674 1 . PHE 267 267 25674 1 . ALA 268 268 25674 1 . ALA 269 269 25674 1 . GLU 270 270 25674 1 . PHE 271 271 25674 1 . SER 272 272 25674 1 . ASN 273 273 25674 1 . VAL 274 274 25674 1 . MET 275 275 25674 1 . ILE 276 276 25674 1 . ILE 277 277 25674 1 . TYR 278 278 25674 1 . THR 279 279 25674 1 . SER 280 280 25674 1 . ILE 281 281 25674 1 . VAL 282 282 25674 1 . TYR 283 283 25674 1 . LYS 284 284 25674 1 . PRO 285 285 25674 1 . PRO 286 286 25674 1 . GLU 287 287 25674 1 . ILE 288 288 25674 1 . ILE 289 289 25674 1 . MET 290 290 25674 1 . CYS 291 291 25674 1 . ASP 292 292 25674 1 . ALA 293 293 25674 1 . TYR 294 294 25674 1 . VAL 295 295 25674 1 . THR 296 296 25674 1 . ASP 297 297 25674 1 . PHE 298 298 25674 1 . PRO 299 299 25674 1 . LEU 300 300 25674 1 . ASP 301 301 25674 1 . LEU 302 302 25674 1 . ASP 303 303 25674 1 . ILE 304 304 25674 1 . ASP 305 305 25674 1 . PRO 306 306 25674 1 . LYS 307 307 25674 1 . ASP 308 308 25674 1 . ALA 309 309 25674 1 . ASN 310 310 25674 1 . LYS 311 311 25674 1 . GLY 312 312 25674 1 . THR 313 313 25674 1 . PRO 314 314 25674 1 . GLU 315 315 25674 1 . GLU 316 316 25674 1 . THR 317 317 25674 1 . GLY 318 318 25674 1 . SER 319 319 25674 1 . TYR 320 320 25674 1 . LEU 321 321 25674 1 . VAL 322 322 25674 1 . SER 323 323 25674 1 . LYS 324 324 25674 1 . ASP 325 325 25674 1 . LEU 326 326 25674 1 . PRO 327 327 25674 1 . LYS 328 328 25674 1 . HIS 329 329 25674 1 . CYS 330 330 25674 1 . LEU 331 331 25674 1 . TYR 332 332 25674 1 . THR 333 333 25674 1 . ARG 334 334 25674 1 . LEU 335 335 25674 1 . SER 336 336 25674 1 . SER 337 337 25674 1 . LEU 338 338 25674 1 . GLN 339 339 25674 1 . LYS 340 340 25674 1 . LEU 341 341 25674 1 . LYS 342 342 25674 1 . GLU 343 343 25674 1 . HIS 344 344 25674 1 . LEU 345 345 25674 1 . VAL 346 346 25674 1 . PHE 347 347 25674 1 . THR 348 348 25674 1 . VAL 349 349 25674 1 . CYS 350 350 25674 1 . LEU 351 351 25674 1 . SER 352 352 25674 1 . TYR 353 353 25674 1 . GLN 354 354 25674 1 . TYR 355 355 25674 1 . SER 356 356 25674 1 . GLY 357 357 25674 1 . LEU 358 358 25674 1 . GLU 359 359 25674 1 . ASP 360 360 25674 1 . THR 361 361 25674 1 . VAL 362 362 25674 1 . GLU 363 363 25674 1 . ASP 364 364 25674 1 . LYS 365 365 25674 1 . GLN 366 366 25674 1 . GLU 367 367 25674 1 . VAL 368 368 25674 1 . ASN 369 369 25674 1 . VAL 370 370 25674 1 . GLY 371 371 25674 1 . LYS 372 372 25674 1 . PRO 373 373 25674 1 . LEU 374 374 25674 1 . ILE 375 375 25674 1 . ALA 376 376 25674 1 . LYS 377 377 25674 1 . LEU 378 378 25674 1 . ASP 379 379 25674 1 . MET 380 380 25674 1 . HIS 381 381 25674 1 . ARG 382 382 25674 1 . HIS 383 383 25674 1 . HIS 384 384 25674 1 . HIS 385 385 25674 1 . HIS 386 386 25674 1 . HIS 387 387 25674 1 . HIS 388 388 25674 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25674 _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 $MALT1(Casp-Ig3) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25674 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25674 _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 $MALT1(Casp-Ig3) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' . . . . . pPET21b . . . 25674 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25674 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0,5 mM 15N/13C/2H-labeled MALT1(Casp-Ig3) in 10 mM Tris pH 7.5, 50 mM NaCl, 1 mM TCEP-d16, 0,002 % NaN3, 10 M DSS, 10 % D2O.' _Sample.Aggregate_sample_number 2 _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 MALT1(Casp-Ig3) '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $MALT1(Casp-Ig3) . . 0.5 . . mM . . . . 25674 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 25674 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25674 1 4 TCEP [U-2H] . . . . . . 1 . . mM . . . . 25674 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 25674 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 25674 1 pH 7.5 . pH 25674 1 pressure 1 . atm 25674 1 temperature 298 . K 25674 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25674 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25674 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25674 1 processing 25674 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25674 _Software.ID 2 _Software.Name CcpNmr_Analysis _Software.Version 2.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25674 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25674 2 'data analysis' 25674 2 'peak picking' 25674 2 stop_ save_ save_TANCY _Software.Sf_category software _Software.Sf_framecode TANCY _Software.Entry_ID 25674 _Software.ID 3 _Software.Name TANCY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Isaksson and Orekhov' . . 25674 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25674 3 'peak picking' 25674 3 processing 25674 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25674 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25674 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25674 4 'peak picking' 25674 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25674 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm cryo-enhanced inverse resonance HCNF probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25674 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '3mm CPTCI cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25674 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 '5 mm cryo-enhanced inverse resonance HCNF probe' . . 25674 1 2 spectrometer_2 Bruker Avance . 800 '3mm CPTCI cryo-probe' . . 25674 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25674 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25674 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25674 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25674 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25674 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25674 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25674 1 7 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25674 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25674 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25674 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25674 1 11 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25674 1 12 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25674 1 13 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25674 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25674 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Not corrected for TROSY and not isotope corrected.' 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25674 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25674 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25674 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25674 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 'The chemical shifts have not been compensated for 2H isotope shifts' _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 TROSY' . . . 25674 1 2 '3D HNCO' . . . 25674 1 3 '3D HNCA' . . . 25674 1 4 '3D HN(CO)CA' . . . 25674 1 5 '3D HNCACB' . . . 25674 1 6 '3D HN(CO)CACB' . . . 25674 1 13 '3D HN(CA)CO' . . . 25674 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU C C 13 175.540 0.03 . 1 . . . . 339 L C . 25674 1 2 . 1 1 2 2 LEU CA C 13 53.480 0.03 . 1 . . . . 339 L CA . 25674 1 3 . 1 1 2 2 LEU CB C 13 44.150 0.03 . 1 . . . . 339 L CB . 25674 1 4 . 1 1 3 3 ALA H H 1 8.574 0.004 . 1 . . . . 340 A H . 25674 1 5 . 1 1 3 3 ALA C C 13 176.940 0.03 . 1 . . . . 340 A C . 25674 1 6 . 1 1 3 3 ALA CA C 13 50.350 0.03 . 1 . . . . 340 A CA . 25674 1 7 . 1 1 3 3 ALA CB C 13 18.920 0.03 . 1 . . . . 340 A CB . 25674 1 8 . 1 1 3 3 ALA N N 15 125.200 0.04 . 1 . . . . 340 A N . 25674 1 9 . 1 1 4 4 LYS H H 1 7.944 0.004 . 1 . . . . 341 K H . 25674 1 10 . 1 1 4 4 LYS C C 13 175.840 0.03 . 1 . . . . 341 K C . 25674 1 11 . 1 1 4 4 LYS CA C 13 57.750 0.03 . 1 . . . . 341 K CA . 25674 1 12 . 1 1 4 4 LYS CB C 13 31.680 0.03 . 1 . . . . 341 K CB . 25674 1 13 . 1 1 4 4 LYS N N 15 122.770 0.04 . 1 . . . . 341 K N . 25674 1 14 . 1 1 5 5 ASP H H 1 7.396 0.004 . 1 . . . . 342 D H . 25674 1 15 . 1 1 5 5 ASP C C 13 174.410 0.03 . 1 . . . . 342 D C . 25674 1 16 . 1 1 5 5 ASP CA C 13 51.900 0.03 . 1 . . . . 342 D CA . 25674 1 17 . 1 1 5 5 ASP CB C 13 42.480 0.03 . 1 . . . . 342 D CB . 25674 1 18 . 1 1 5 5 ASP N N 15 109.300 0.04 . 1 . . . . 342 D N . 25674 1 19 . 1 1 6 6 LYS H H 1 9.212 0.004 . 1 . . . . 343 K H . 25674 1 20 . 1 1 6 6 LYS CA C 13 55.820 0.03 . 1 . . . . 343 K CA . 25674 1 21 . 1 1 6 6 LYS CB C 13 32.080 0.03 . 1 . . . . 343 K CB . 25674 1 22 . 1 1 6 6 LYS N N 15 124.030 0.04 . 1 . . . . 343 K N . 25674 1 23 . 1 1 12 12 GLY C C 13 175.700 0.03 . 1 . . . . 349 G C . 25674 1 24 . 1 1 12 12 GLY CA C 13 43.730 0.03 . 1 . . . . 349 G CA . 25674 1 25 . 1 1 13 13 ASN H H 1 7.820 0.004 . 1 . . . . 350 N H . 25674 1 26 . 1 1 13 13 ASN CA C 13 54.260 0.03 . 1 . . . . 350 N CA . 25674 1 27 . 1 1 13 13 ASN N N 15 119.400 0.04 . 1 . . . . 350 N N . 25674 1 28 . 1 1 14 14 MET C C 13 176.170 0.03 . 1 . . . . 351 M C . 25674 1 29 . 1 1 15 15 ASN H H 1 9.863 0.004 . 1 . . . . 352 N H . 25674 1 30 . 1 1 15 15 ASN C C 13 174.730 0.03 . 1 . . . . 352 N C . 25674 1 31 . 1 1 15 15 ASN CA C 13 52.460 0.03 . 1 . . . . 352 N CA . 25674 1 32 . 1 1 15 15 ASN CB C 13 36.960 0.03 . 1 . . . . 352 N CB . 25674 1 33 . 1 1 15 15 ASN N N 15 125.540 0.04 . 1 . . . . 352 N N . 25674 1 34 . 1 1 16 16 TYR H H 1 7.417 0.004 . 1 . . . . 353 Y H . 25674 1 35 . 1 1 16 16 TYR C C 13 176.140 0.03 . 1 . . . . 353 Y C . 25674 1 36 . 1 1 16 16 TYR CA C 13 59.100 0.03 . 1 . . . . 353 Y CA . 25674 1 37 . 1 1 16 16 TYR CB C 13 40.760 0.03 . 1 . . . . 353 Y CB . 25674 1 38 . 1 1 16 16 TYR N N 15 120.670 0.04 . 1 . . . . 353 Y N . 25674 1 39 . 1 1 17 17 ARG H H 1 7.979 0.004 . 1 . . . . 354 R H . 25674 1 40 . 1 1 17 17 ARG C C 13 178.720 0.03 . 1 . . . . 354 R C . 25674 1 41 . 1 1 17 17 ARG CA C 13 58.810 0.03 . 1 . . . . 354 R CA . 25674 1 42 . 1 1 17 17 ARG CB C 13 29.950 0.03 . 1 . . . . 354 R CB . 25674 1 43 . 1 1 17 17 ARG N N 15 121.390 0.04 . 1 . . . . 354 R N . 25674 1 44 . 1 1 18 18 GLU H H 1 9.358 0.004 . 1 . . . . 355 E H . 25674 1 45 . 1 1 18 18 GLU C C 13 174.250 0.03 . 1 . . . . 355 E C . 25674 1 46 . 1 1 18 18 GLU CA C 13 54.910 0.03 . 1 . . . . 355 E CA . 25674 1 47 . 1 1 18 18 GLU CB C 13 30.200 0.03 . 1 . . . . 355 E CB . 25674 1 48 . 1 1 18 18 GLU N N 15 115.670 0.04 . 1 . . . . 355 E N . 25674 1 49 . 1 1 19 19 HIS H H 1 6.722 0.004 . 1 . . . . 356 H H . 25674 1 50 . 1 1 19 19 HIS C C 13 172.000 0.03 . 1 . . . . 356 H C . 25674 1 51 . 1 1 19 19 HIS CA C 13 53.810 0.03 . 1 . . . . 356 H CA . 25674 1 52 . 1 1 19 19 HIS CB C 13 32.230 0.03 . 1 . . . . 356 H CB . 25674 1 53 . 1 1 19 19 HIS N N 15 116.160 0.04 . 1 . . . . 356 H N . 25674 1 54 . 1 1 20 20 PRO C C 13 176.480 0.03 . 1 . . . . 357 P C . 25674 1 55 . 1 1 20 20 PRO CA C 13 63.330 0.03 . 1 . . . . 357 P CA . 25674 1 56 . 1 1 20 20 PRO CB C 13 31.760 0.03 . 1 . . . . 357 P CB . 25674 1 57 . 1 1 21 21 LYS H H 1 8.439 0.004 . 1 . . . . 358 K H . 25674 1 58 . 1 1 21 21 LYS C C 13 177.230 0.03 . 1 . . . . 358 K C . 25674 1 59 . 1 1 21 21 LYS CA C 13 56.630 0.03 . 1 . . . . 358 K CA . 25674 1 60 . 1 1 21 21 LYS CB C 13 32.440 0.03 . 1 . . . . 358 K CB . 25674 1 61 . 1 1 21 21 LYS N N 15 122.710 0.04 . 1 . . . . 358 K N . 25674 1 62 . 1 1 22 22 LEU H H 1 8.051 0.004 . 1 . . . . 359 L H . 25674 1 63 . 1 1 22 22 LEU CA C 13 53.000 0.03 . 1 . . . . 359 L CA . 25674 1 64 . 1 1 22 22 LEU CB C 13 44.050 0.03 . 1 . . . . 359 L CB . 25674 1 65 . 1 1 22 22 LEU N N 15 122.800 0.04 . 1 . . . . 359 L N . 25674 1 66 . 1 1 23 23 LYS C C 13 176.820 0.03 . 1 . . . . 360 K C . 25674 1 67 . 1 1 24 24 ALA H H 1 8.465 0.004 . 1 . . . . 361 A H . 25674 1 68 . 1 1 24 24 ALA CA C 13 55.730 0.03 . 1 . . . . 361 A CA . 25674 1 69 . 1 1 24 24 ALA CB C 13 15.420 0.03 . 1 . . . . 361 A CB . 25674 1 70 . 1 1 24 24 ALA N N 15 124.570 0.04 . 1 . . . . 361 A N . 25674 1 71 . 1 1 25 25 PRO C C 13 176.220 0.03 . 1 . . . . 362 P C . 25674 1 72 . 1 1 25 25 PRO CA C 13 66.330 0.03 . 1 . . . . 362 P CA . 25674 1 73 . 1 1 25 25 PRO CB C 13 30.780 0.03 . 1 . . . . 362 P CB . 25674 1 74 . 1 1 26 26 LEU H H 1 6.602 0.004 . 1 . . . . 363 L H . 25674 1 75 . 1 1 26 26 LEU C C 13 176.440 0.03 . 1 . . . . 363 L C . 25674 1 76 . 1 1 26 26 LEU CA C 13 58.360 0.03 . 1 . . . . 363 L CA . 25674 1 77 . 1 1 26 26 LEU CB C 13 42.360 0.03 . 1 . . . . 363 L CB . 25674 1 78 . 1 1 26 26 LEU N N 15 113.890 0.04 . 1 . . . . 363 L N . 25674 1 79 . 1 1 27 27 VAL H H 1 6.872 0.004 . 1 . . . . 364 V H . 25674 1 80 . 1 1 27 27 VAL C C 13 178.090 0.03 . 1 . . . . 364 V C . 25674 1 81 . 1 1 27 27 VAL CA C 13 64.040 0.03 . 1 . . . . 364 V CA . 25674 1 82 . 1 1 27 27 VAL CB C 13 31.610 0.03 . 1 . . . . 364 V CB . 25674 1 83 . 1 1 27 27 VAL N N 15 114.550 0.04 . 1 . . . . 364 V N . 25674 1 84 . 1 1 28 28 ASP H H 1 8.503 0.004 . 1 . . . . 365 D H . 25674 1 85 . 1 1 28 28 ASP C C 13 178.680 0.03 . 1 . . . . 365 D C . 25674 1 86 . 1 1 28 28 ASP CA C 13 58.150 0.03 . 1 . . . . 365 D CA . 25674 1 87 . 1 1 28 28 ASP CB C 13 38.850 0.03 . 1 . . . . 365 D CB . 25674 1 88 . 1 1 28 28 ASP N N 15 122.600 0.04 . 1 . . . . 365 D N . 25674 1 89 . 1 1 29 29 VAL H H 1 8.669 0.004 . 1 . . . . 366 V H . 25674 1 90 . 1 1 29 29 VAL C C 13 179.190 0.03 . 1 . . . . 366 V C . 25674 1 91 . 1 1 29 29 VAL CA C 13 66.750 0.03 . 1 . . . . 366 V CA . 25674 1 92 . 1 1 29 29 VAL CB C 13 30.010 0.03 . 1 . . . . 366 V CB . 25674 1 93 . 1 1 29 29 VAL N N 15 117.480 0.04 . 1 . . . . 366 V N . 25674 1 94 . 1 1 30 30 TYR H H 1 7.591 0.004 . 1 . . . . 367 Y H . 25674 1 95 . 1 1 30 30 TYR C C 13 177.640 0.03 . 1 . . . . 367 Y C . 25674 1 96 . 1 1 30 30 TYR CA C 13 62.090 0.03 . 1 . . . . 367 Y CA . 25674 1 97 . 1 1 30 30 TYR CB C 13 39.010 0.03 . 1 . . . . 367 Y CB . 25674 1 98 . 1 1 30 30 TYR N N 15 124.350 0.04 . 1 . . . . 367 Y N . 25674 1 99 . 1 1 31 31 GLU H H 1 8.796 0.004 . 1 . . . . 368 E H . 25674 1 100 . 1 1 31 31 GLU C C 13 180.050 0.03 . 1 . . . . 368 E C . 25674 1 101 . 1 1 31 31 GLU CA C 13 59.400 0.03 . 1 . . . . 368 E CA . 25674 1 102 . 1 1 31 31 GLU CB C 13 28.720 0.03 . 1 . . . . 368 E CB . 25674 1 103 . 1 1 31 31 GLU N N 15 118.360 0.04 . 1 . . . . 368 E N . 25674 1 104 . 1 1 32 32 LEU H H 1 8.441 0.004 . 1 . . . . 369 L H . 25674 1 105 . 1 1 32 32 LEU CA C 13 57.320 0.03 . 1 . . . . 369 L CA . 25674 1 106 . 1 1 32 32 LEU CB C 13 38.830 0.03 . 1 . . . . 369 L CB . 25674 1 107 . 1 1 32 32 LEU N N 15 121.110 0.04 . 1 . . . . 369 L N . 25674 1 108 . 1 1 36 36 LEU C C 13 181.200 0.03 . 1 . . . . 373 L C . 25674 1 109 . 1 1 36 36 LEU CA C 13 56.900 0.03 . 1 . . . . 373 L CA . 25674 1 110 . 1 1 37 37 ARG H H 1 8.361 0.004 . 1 . . . . 374 R H . 25674 1 111 . 1 1 37 37 ARG C C 13 180.940 0.03 . 1 . . . . 374 R C . 25674 1 112 . 1 1 37 37 ARG CA C 13 60.270 0.03 . 1 . . . . 374 R CA . 25674 1 113 . 1 1 37 37 ARG CB C 13 29.540 0.03 . 1 . . . . 374 R CB . 25674 1 114 . 1 1 37 37 ARG N N 15 121.060 0.04 . 1 . . . . 374 R N . 25674 1 115 . 1 1 38 38 GLN H H 1 7.543 0.004 . 1 . . . . 375 Q H . 25674 1 116 . 1 1 38 38 GLN C C 13 177.090 0.03 . 1 . . . . 375 Q C . 25674 1 117 . 1 1 38 38 GLN CA C 13 58.320 0.03 . 1 . . . . 375 Q CA . 25674 1 118 . 1 1 38 38 GLN CB C 13 27.550 0.03 . 1 . . . . 375 Q CB . 25674 1 119 . 1 1 38 38 GLN N N 15 121.100 0.04 . 1 . . . . 375 Q N . 25674 1 120 . 1 1 39 39 LEU H H 1 7.190 0.004 . 1 . . . . 376 L H . 25674 1 121 . 1 1 39 39 LEU C C 13 174.630 0.03 . 1 . . . . 376 L C . 25674 1 122 . 1 1 39 39 LEU CA C 13 53.850 0.03 . 1 . . . . 376 L CA . 25674 1 123 . 1 1 39 39 LEU CB C 13 40.800 0.03 . 1 . . . . 376 L CB . 25674 1 124 . 1 1 39 39 LEU N N 15 119.700 0.04 . 1 . . . . 376 L N . 25674 1 125 . 1 1 40 40 ASP H H 1 7.704 0.004 . 1 . . . . 377 D H . 25674 1 126 . 1 1 40 40 ASP C C 13 175.610 0.03 . 1 . . . . 377 D C . 25674 1 127 . 1 1 40 40 ASP CA C 13 55.960 0.03 . 1 . . . . 377 D CA . 25674 1 128 . 1 1 40 40 ASP CB C 13 38.300 0.03 . 1 . . . . 377 D CB . 25674 1 129 . 1 1 40 40 ASP N N 15 111.290 0.04 . 1 . . . . 377 D N . 25674 1 130 . 1 1 41 41 PHE H H 1 8.031 0.004 . 1 . . . . 378 F H . 25674 1 131 . 1 1 41 41 PHE C C 13 177.080 0.03 . 1 . . . . 378 F C . 25674 1 132 . 1 1 41 41 PHE CA C 13 58.180 0.03 . 1 . . . . 378 F CA . 25674 1 133 . 1 1 41 41 PHE CB C 13 39.650 0.03 . 1 . . . . 378 F CB . 25674 1 134 . 1 1 41 41 PHE N N 15 114.530 0.04 . 1 . . . . 378 F N . 25674 1 135 . 1 1 42 42 LYS H H 1 8.923 0.004 . 1 . . . . 379 K H . 25674 1 136 . 1 1 42 42 LYS C C 13 175.530 0.03 . 1 . . . . 379 K C . 25674 1 137 . 1 1 42 42 LYS CA C 13 55.660 0.03 . 1 . . . . 379 K CA . 25674 1 138 . 1 1 42 42 LYS CB C 13 31.520 0.03 . 1 . . . . 379 K CB . 25674 1 139 . 1 1 42 42 LYS N N 15 123.960 0.04 . 1 . . . . 379 K N . 25674 1 140 . 1 1 43 43 VAL H H 1 8.699 0.004 . 1 . . . . 380 V H . 25674 1 141 . 1 1 43 43 VAL C C 13 173.600 0.03 . 1 . . . . 380 V C . 25674 1 142 . 1 1 43 43 VAL CA C 13 61.270 0.03 . 1 . . . . 380 V CA . 25674 1 143 . 1 1 43 43 VAL CB C 13 33.320 0.03 . 1 . . . . 380 V CB . 25674 1 144 . 1 1 43 43 VAL N N 15 126.650 0.04 . 1 . . . . 380 V N . 25674 1 145 . 1 1 44 44 VAL H H 1 8.970 0.004 . 1 . . . . 381 V H . 25674 1 146 . 1 1 44 44 VAL CA C 13 53.830 0.03 . 1 . . . . 381 V CA . 25674 1 147 . 1 1 44 44 VAL CB C 13 31.240 0.03 . 1 . . . . 381 V CB . 25674 1 148 . 1 1 44 44 VAL N N 15 123.130 0.04 . 1 . . . . 381 V N . 25674 1 149 . 1 1 48 48 ASP C C 13 173.710 0.03 . 1 . . . . 385 D C . 25674 1 150 . 1 1 49 49 LEU H H 1 8.214 0.004 . 1 . . . . 386 L H . 25674 1 151 . 1 1 49 49 LEU C C 13 177.850 0.03 . 1 . . . . 386 L C . 25674 1 152 . 1 1 49 49 LEU CA C 13 51.860 0.03 . 1 . . . . 386 L CA . 25674 1 153 . 1 1 49 49 LEU CB C 13 44.520 0.03 . 1 . . . . 386 L CB . 25674 1 154 . 1 1 49 49 LEU N N 15 123.110 0.04 . 1 . . . . 386 L N . 25674 1 155 . 1 1 50 50 THR H H 1 8.734 0.004 . 1 . . . . 387 T H . 25674 1 156 . 1 1 50 50 THR C C 13 175.400 0.03 . 1 . . . . 387 T C . 25674 1 157 . 1 1 50 50 THR CA C 13 60.920 0.03 . 1 . . . . 387 T CA . 25674 1 158 . 1 1 50 50 THR CB C 13 70.210 0.03 . 1 . . . . 387 T CB . 25674 1 159 . 1 1 50 50 THR N N 15 114.060 0.04 . 1 . . . . 387 T N . 25674 1 160 . 1 1 51 51 GLU H H 1 9.707 0.004 . 1 . . . . 388 E H . 25674 1 161 . 1 1 51 51 GLU C C 13 177.860 0.03 . 1 . . . . 388 E C . 25674 1 162 . 1 1 51 51 GLU CA C 13 60.680 0.03 . 1 . . . . 388 E CA . 25674 1 163 . 1 1 51 51 GLU CB C 13 28.460 0.03 . 1 . . . . 388 E CB . 25674 1 164 . 1 1 51 51 GLU N N 15 124.400 0.04 . 1 . . . . 388 E N . 25674 1 165 . 1 1 52 52 TYR H H 1 8.491 0.004 . 1 . . . . 389 Y H . 25674 1 166 . 1 1 52 52 TYR C C 13 177.750 0.03 . 1 . . . . 389 Y C . 25674 1 167 . 1 1 52 52 TYR CA C 13 60.190 0.03 . 1 . . . . 389 Y CA . 25674 1 168 . 1 1 52 52 TYR CB C 13 37.060 0.03 . 1 . . . . 389 Y CB . 25674 1 169 . 1 1 52 52 TYR N N 15 117.670 0.04 . 1 . . . . 389 Y N . 25674 1 170 . 1 1 53 53 GLU H H 1 7.071 0.004 . 1 . . . . 390 E H . 25674 1 171 . 1 1 53 53 GLU C C 13 179.600 0.03 . 1 . . . . 390 E C . 25674 1 172 . 1 1 53 53 GLU CA C 13 57.980 0.03 . 1 . . . . 390 E CA . 25674 1 173 . 1 1 53 53 GLU CB C 13 29.600 0.03 . 1 . . . . 390 E CB . 25674 1 174 . 1 1 53 53 GLU N N 15 117.930 0.04 . 1 . . . . 390 E N . 25674 1 175 . 1 1 54 54 MET H H 1 9.011 0.004 . 1 . . . . 391 M H . 25674 1 176 . 1 1 54 54 MET C C 13 177.410 0.03 . 1 . . . . 391 M C . 25674 1 177 . 1 1 54 54 MET CA C 13 60.030 0.03 . 1 . . . . 391 M CA . 25674 1 178 . 1 1 54 54 MET CB C 13 33.250 0.03 . 1 . . . . 391 M CB . 25674 1 179 . 1 1 54 54 MET N N 15 118.570 0.04 . 1 . . . . 391 M N . 25674 1 180 . 1 1 55 55 ARG H H 1 8.341 0.004 . 1 . . . . 392 R H . 25674 1 181 . 1 1 55 55 ARG C C 13 178.900 0.03 . 1 . . . . 392 R C . 25674 1 182 . 1 1 55 55 ARG CA C 13 60.120 0.03 . 1 . . . . 392 R CA . 25674 1 183 . 1 1 55 55 ARG N N 15 117.330 0.04 . 1 . . . . 392 R N . 25674 1 184 . 1 1 56 56 ASN H H 1 7.954 0.004 . 1 . . . . 393 N H . 25674 1 185 . 1 1 56 56 ASN C C 13 176.700 0.03 . 1 . . . . 393 N C . 25674 1 186 . 1 1 56 56 ASN CA C 13 55.740 0.03 . 1 . . . . 393 N CA . 25674 1 187 . 1 1 56 56 ASN CB C 13 37.470 0.03 . 1 . . . . 393 N CB . 25674 1 188 . 1 1 56 56 ASN N N 15 117.400 0.04 . 1 . . . . 393 N N . 25674 1 189 . 1 1 63 63 LEU H H 1 7.062 0.004 . 1 . . . . 400 L H . 25674 1 190 . 1 1 63 63 LEU C C 13 178.560 0.03 . 1 . . . . 400 L C . 25674 1 191 . 1 1 63 63 LEU CA C 13 56.150 0.03 . 1 . . . . 400 L CA . 25674 1 192 . 1 1 63 63 LEU CB C 13 41.030 0.03 . 1 . . . . 400 L CB . 25674 1 193 . 1 1 63 63 LEU N N 15 116.600 0.04 . 1 . . . . 400 L N . 25674 1 194 . 1 1 64 64 LEU H H 1 7.388 0.004 . 1 . . . . 401 L H . 25674 1 195 . 1 1 64 64 LEU C C 13 178.170 0.03 . 1 . . . . 401 L C . 25674 1 196 . 1 1 64 64 LEU CA C 13 54.400 0.03 . 1 . . . . 401 L CA . 25674 1 197 . 1 1 64 64 LEU CB C 13 41.660 0.03 . 1 . . . . 401 L CB . 25674 1 198 . 1 1 64 64 LEU N N 15 117.410 0.04 . 1 . . . . 401 L N . 25674 1 199 . 1 1 65 65 LEU H H 1 6.685 0.004 . 1 . . . . 402 L H . 25674 1 200 . 1 1 65 65 LEU C C 13 174.580 0.03 . 1 . . . . 402 L C . 25674 1 201 . 1 1 65 65 LEU CA C 13 53.730 0.03 . 1 . . . . 402 L CA . 25674 1 202 . 1 1 65 65 LEU CB C 13 37.610 0.03 . 1 . . . . 402 L CB . 25674 1 203 . 1 1 65 65 LEU N N 15 117.380 0.04 . 1 . . . . 402 L N . 25674 1 204 . 1 1 66 66 ASP H H 1 7.110 0.004 . 1 . . . . 403 D H . 25674 1 205 . 1 1 66 66 ASP C C 13 174.960 0.03 . 1 . . . . 403 D C . 25674 1 206 . 1 1 66 66 ASP CA C 13 52.050 0.03 . 1 . . . . 403 D CA . 25674 1 207 . 1 1 66 66 ASP CB C 13 42.780 0.03 . 1 . . . . 403 D CB . 25674 1 208 . 1 1 66 66 ASP N N 15 121.390 0.04 . 1 . . . . 403 D N . 25674 1 209 . 1 1 67 67 LYS H H 1 8.511 0.004 . 1 . . . . 404 K H . 25674 1 210 . 1 1 67 67 LYS C C 13 178.580 0.03 . 1 . . . . 404 K C . 25674 1 211 . 1 1 67 67 LYS CA C 13 57.260 0.03 . 1 . . . . 404 K CA . 25674 1 212 . 1 1 67 67 LYS CB C 13 31.430 0.03 . 1 . . . . 404 K CB . 25674 1 213 . 1 1 67 67 LYS N N 15 120.750 0.04 . 1 . . . . 404 K N . 25674 1 214 . 1 1 68 68 GLY H H 1 8.374 0.004 . 1 . . . . 405 G H . 25674 1 215 . 1 1 68 68 GLY C C 13 175.760 0.03 . 1 . . . . 405 G C . 25674 1 216 . 1 1 68 68 GLY CA C 13 45.670 0.03 . 1 . . . . 405 G CA . 25674 1 217 . 1 1 68 68 GLY N N 15 111.020 0.04 . 1 . . . . 405 G N . 25674 1 218 . 1 1 69 69 VAL H H 1 8.314 0.004 . 1 . . . . 406 V H . 25674 1 219 . 1 1 69 69 VAL C C 13 175.260 0.03 . 1 . . . . 406 V C . 25674 1 220 . 1 1 69 69 VAL CA C 13 64.050 0.03 . 1 . . . . 406 V CA . 25674 1 221 . 1 1 69 69 VAL CB C 13 32.030 0.03 . 1 . . . . 406 V CB . 25674 1 222 . 1 1 69 69 VAL N N 15 125.270 0.04 . 1 . . . . 406 V N . 25674 1 223 . 1 1 70 70 TYR H H 1 9.060 0.004 . 1 . . . . 407 Y H . 25674 1 224 . 1 1 70 70 TYR C C 13 174.070 0.03 . 1 . . . . 407 Y C . 25674 1 225 . 1 1 70 70 TYR CA C 13 54.560 0.03 . 1 . . . . 407 Y CA . 25674 1 226 . 1 1 70 70 TYR CB C 13 36.980 0.03 . 1 . . . . 407 Y CB . 25674 1 227 . 1 1 70 70 TYR N N 15 129.390 0.04 . 1 . . . . 407 Y N . 25674 1 228 . 1 1 71 71 GLY H H 1 9.326 0.004 . 1 . . . . 408 G H . 25674 1 229 . 1 1 71 71 GLY CA C 13 43.270 0.03 . 1 . . . . 408 G CA . 25674 1 230 . 1 1 71 71 GLY N N 15 110.100 0.04 . 1 . . . . 408 G N . 25674 1 231 . 1 1 76 76 ALA C C 13 174.430 0.03 . 1 . . . . 413 A C . 25674 1 232 . 1 1 76 76 ALA CA C 13 55.920 0.03 . 1 . . . . 413 A CA . 25674 1 233 . 1 1 77 77 GLY H H 1 6.762 0.004 . 1 . . . . 414 G H . 25674 1 234 . 1 1 77 77 GLY C C 13 174.070 0.03 . 1 . . . . 414 G C . 25674 1 235 . 1 1 77 77 GLY CA C 13 44.800 0.03 . 1 . . . . 414 G CA . 25674 1 236 . 1 1 77 77 GLY N N 15 104.590 0.04 . 1 . . . . 414 G N . 25674 1 237 . 1 1 78 78 HIS H H 1 8.325 0.004 . 1 . . . . 415 H H . 25674 1 238 . 1 1 78 78 HIS C C 13 177.580 0.03 . 1 . . . . 415 H C . 25674 1 239 . 1 1 78 78 HIS CA C 13 57.960 0.03 . 1 . . . . 415 H CA . 25674 1 240 . 1 1 78 78 HIS N N 15 119.500 0.04 . 1 . . . . 415 H N . 25674 1 241 . 1 1 79 79 GLY H H 1 9.038 0.004 . 1 . . . . 416 G H . 25674 1 242 . 1 1 79 79 GLY C C 13 171.370 0.03 . 1 . . . . 416 G C . 25674 1 243 . 1 1 79 79 GLY CA C 13 45.050 0.03 . 1 . . . . 416 G CA . 25674 1 244 . 1 1 79 79 GLY N N 15 110.560 0.04 . 1 . . . . 416 G N . 25674 1 245 . 1 1 80 80 TYR H H 1 8.480 0.004 . 1 . . . . 417 Y H . 25674 1 246 . 1 1 80 80 TYR C C 13 172.840 0.03 . 1 . . . . 417 Y C . 25674 1 247 . 1 1 80 80 TYR CA C 13 55.130 0.03 . 1 . . . . 417 Y CA . 25674 1 248 . 1 1 80 80 TYR CB C 13 40.860 0.03 . 1 . . . . 417 Y CB . 25674 1 249 . 1 1 80 80 TYR N N 15 119.680 0.04 . 1 . . . . 417 Y N . 25674 1 250 . 1 1 81 81 GLU H H 1 8.248 0.004 . 1 . . . . 418 E H . 25674 1 251 . 1 1 81 81 GLU C C 13 175.100 0.03 . 1 . . . . 418 E C . 25674 1 252 . 1 1 81 81 GLU CA C 13 53.820 0.03 . 1 . . . . 418 E CA . 25674 1 253 . 1 1 81 81 GLU CB C 13 31.570 0.03 . 1 . . . . 418 E CB . 25674 1 254 . 1 1 81 81 GLU N N 15 124.290 0.04 . 1 . . . . 418 E N . 25674 1 255 . 1 1 82 82 ASN H H 1 8.657 0.004 . 1 . . . . 419 N H . 25674 1 256 . 1 1 82 82 ASN C C 13 174.200 0.03 . 1 . . . . 419 N C . 25674 1 257 . 1 1 82 82 ASN CA C 13 53.340 0.03 . 1 . . . . 419 N CA . 25674 1 258 . 1 1 82 82 ASN CB C 13 41.500 0.03 . 1 . . . . 419 N CB . 25674 1 259 . 1 1 82 82 ASN N N 15 119.590 0.04 . 1 . . . . 419 N N . 25674 1 260 . 1 1 83 83 PHE C C 13 175.520 0.03 . 1 . . . . 420 F C . 25674 1 261 . 1 1 83 83 PHE CA C 13 58.130 0.03 . 1 . . . . 420 F CA . 25674 1 262 . 1 1 83 83 PHE CB C 13 36.430 0.03 . 1 . . . . 420 F CB . 25674 1 263 . 1 1 84 84 GLY H H 1 8.806 0.004 . 1 . . . . 421 G H . 25674 1 264 . 1 1 84 84 GLY C C 13 173.340 0.03 . 1 . . . . 421 G C . 25674 1 265 . 1 1 84 84 GLY CA C 13 45.170 0.03 . 1 . . . . 421 G CA . 25674 1 266 . 1 1 84 84 GLY N N 15 106.400 0.04 . 1 . . . . 421 G N . 25674 1 267 . 1 1 85 85 ASN H H 1 7.831 0.004 . 1 . . . . 422 N H . 25674 1 268 . 1 1 85 85 ASN C C 13 173.310 0.03 . 1 . . . . 422 N C . 25674 1 269 . 1 1 85 85 ASN CA C 13 51.310 0.03 . 1 . . . . 422 N CA . 25674 1 270 . 1 1 85 85 ASN CB C 13 42.180 0.03 . 1 . . . . 422 N CB . 25674 1 271 . 1 1 85 85 ASN N N 15 118.870 0.04 . 1 . . . . 422 N N . 25674 1 272 . 1 1 86 86 SER H H 1 8.858 0.004 . 1 . . . . 423 S H . 25674 1 273 . 1 1 86 86 SER C C 13 173.320 0.03 . 1 . . . . 423 S C . 25674 1 274 . 1 1 86 86 SER CA C 13 56.790 0.03 . 1 . . . . 423 S CA . 25674 1 275 . 1 1 86 86 SER N N 15 115.990 0.04 . 1 . . . . 423 S N . 25674 1 276 . 1 1 87 87 PHE H H 1 9.131 0.004 . 1 . . . . 424 F H . 25674 1 277 . 1 1 87 87 PHE C C 13 175.280 0.03 . 1 . . . . 424 F C . 25674 1 278 . 1 1 87 87 PHE CA C 13 56.530 0.03 . 1 . . . . 424 F CA . 25674 1 279 . 1 1 87 87 PHE CB C 13 42.140 0.03 . 1 . . . . 424 F CB . 25674 1 280 . 1 1 87 87 PHE N N 15 121.060 0.04 . 1 . . . . 424 F N . 25674 1 281 . 1 1 88 88 MET H H 1 8.990 0.004 . 1 . . . . 425 M H . 25674 1 282 . 1 1 88 88 MET C C 13 175.950 0.03 . 1 . . . . 425 M C . 25674 1 283 . 1 1 88 88 MET CA C 13 54.690 0.03 . 1 . . . . 425 M CA . 25674 1 284 . 1 1 88 88 MET CB C 13 35.240 0.03 . 1 . . . . 425 M CB . 25674 1 285 . 1 1 88 88 MET N N 15 119.590 0.04 . 1 . . . . 425 M N . 25674 1 286 . 1 1 89 89 VAL H H 1 7.519 0.004 . 1 . . . . 426 V H . 25674 1 287 . 1 1 89 89 VAL C C 13 173.800 0.03 . 1 . . . . 426 V C . 25674 1 288 . 1 1 89 89 VAL CA C 13 60.240 0.03 . 1 . . . . 426 V CA . 25674 1 289 . 1 1 89 89 VAL CB C 13 32.120 0.03 . 1 . . . . 426 V CB . 25674 1 290 . 1 1 89 89 VAL N N 15 124.640 0.04 . 1 . . . . 426 V N . 25674 1 291 . 1 1 90 90 PRO C C 13 178.200 0.03 . 1 . . . . 427 P C . 25674 1 292 . 1 1 90 90 PRO CA C 13 62.420 0.03 . 1 . . . . 427 P CA . 25674 1 293 . 1 1 90 90 PRO CB C 13 32.210 0.03 . 1 . . . . 427 P CB . 25674 1 294 . 1 1 91 91 VAL H H 1 7.698 0.004 . 1 . . . . 428 V H . 25674 1 295 . 1 1 91 91 VAL C C 13 177.160 0.03 . 1 . . . . 428 V C . 25674 1 296 . 1 1 91 91 VAL CA C 13 64.380 0.03 . 1 . . . . 428 V CA . 25674 1 297 . 1 1 91 91 VAL CB C 13 30.160 0.03 . 1 . . . . 428 V CB . 25674 1 298 . 1 1 91 91 VAL N N 15 109.980 0.04 . 1 . . . . 428 V N . 25674 1 299 . 1 1 92 92 ASP H H 1 9.004 0.004 . 1 . . . . 429 D H . 25674 1 300 . 1 1 92 92 ASP C C 13 175.120 0.03 . 1 . . . . 429 D C . 25674 1 301 . 1 1 92 92 ASP CA C 13 51.920 0.03 . 1 . . . . 429 D CA . 25674 1 302 . 1 1 92 92 ASP CB C 13 38.320 0.03 . 1 . . . . 429 D CB . 25674 1 303 . 1 1 92 92 ASP N N 15 119.020 0.04 . 1 . . . . 429 D N . 25674 1 304 . 1 1 93 93 ALA H H 1 7.512 0.004 . 1 . . . . 430 A H . 25674 1 305 . 1 1 93 93 ALA C C 13 175.900 0.03 . 1 . . . . 430 A C . 25674 1 306 . 1 1 93 93 ALA CA C 13 50.950 0.03 . 1 . . . . 430 A CA . 25674 1 307 . 1 1 93 93 ALA CB C 13 18.330 0.03 . 1 . . . . 430 A CB . 25674 1 308 . 1 1 93 93 ALA N N 15 124.710 0.04 . 1 . . . . 430 A N . 25674 1 309 . 1 1 94 94 PRO C C 13 174.980 0.03 . 1 . . . . 431 P C . 25674 1 310 . 1 1 94 94 PRO CA C 13 61.920 0.03 . 1 . . . . 431 P CA . 25674 1 311 . 1 1 94 94 PRO CB C 13 31.730 0.03 . 1 . . . . 431 P CB . 25674 1 312 . 1 1 95 95 ASN H H 1 8.057 0.004 . 1 . . . . 432 N H . 25674 1 313 . 1 1 95 95 ASN C C 13 173.800 0.03 . 1 . . . . 432 N C . 25674 1 314 . 1 1 95 95 ASN CA C 13 48.810 0.03 . 1 . . . . 432 N CA . 25674 1 315 . 1 1 95 95 ASN CB C 13 40.730 0.03 . 1 . . . . 432 N CB . 25674 1 316 . 1 1 95 95 ASN N N 15 117.490 0.04 . 1 . . . . 432 N N . 25674 1 317 . 1 1 96 96 PRO C C 13 175.900 0.03 . 1 . . . . 433 P C . 25674 1 318 . 1 1 96 96 PRO CA C 13 62.560 0.03 . 1 . . . . 433 P CA . 25674 1 319 . 1 1 96 96 PRO CB C 13 33.930 0.03 . 1 . . . . 433 P CB . 25674 1 320 . 1 1 97 97 TYR H H 1 7.407 0.004 . 1 . . . . 434 Y H . 25674 1 321 . 1 1 97 97 TYR C C 13 175.960 0.03 . 1 . . . . 434 Y C . 25674 1 322 . 1 1 97 97 TYR CA C 13 56.000 0.03 . 1 . . . . 434 Y CA . 25674 1 323 . 1 1 97 97 TYR CB C 13 37.880 0.03 . 1 . . . . 434 Y CB . 25674 1 324 . 1 1 97 97 TYR N N 15 115.720 0.04 . 1 . . . . 434 Y N . 25674 1 325 . 1 1 98 98 ARG H H 1 7.415 0.004 . 1 . . . . 435 R H . 25674 1 326 . 1 1 98 98 ARG CA C 13 54.080 0.03 . 1 . . . . 435 R CA . 25674 1 327 . 1 1 98 98 ARG CB C 13 31.450 0.03 . 1 . . . . 435 R CB . 25674 1 328 . 1 1 98 98 ARG N N 15 118.530 0.04 . 1 . . . . 435 R N . 25674 1 329 . 1 1 108 108 ILE H H 1 7.392 0.004 . 1 . . . . 445 I H . 25674 1 330 . 1 1 108 108 ILE C C 13 178.020 0.03 . 1 . . . . 445 I C . 25674 1 331 . 1 1 108 108 ILE CA C 13 64.920 0.03 . 1 . . . . 445 I CA . 25674 1 332 . 1 1 108 108 ILE CB C 13 36.790 0.03 . 1 . . . . 445 I CB . 25674 1 333 . 1 1 108 108 ILE N N 15 121.290 0.04 . 1 . . . . 445 I N . 25674 1 334 . 1 1 109 109 LEU H H 1 8.396 0.004 . 1 . . . . 446 L H . 25674 1 335 . 1 1 109 109 LEU CA C 13 57.690 0.03 . 1 . . . . 446 L CA . 25674 1 336 . 1 1 109 109 LEU CB C 13 41.450 0.03 . 1 . . . . 446 L CB . 25674 1 337 . 1 1 109 109 LEU N N 15 120.150 0.04 . 1 . . . . 446 L N . 25674 1 338 . 1 1 110 110 LYS C C 13 179.360 0.03 . 1 . . . . 447 K C . 25674 1 339 . 1 1 110 110 LYS CA C 13 59.560 0.03 . 1 . . . . 447 K CA . 25674 1 340 . 1 1 110 110 LYS CB C 13 31.130 0.03 . 1 . . . . 447 K CB . 25674 1 341 . 1 1 111 111 LEU H H 1 7.435 0.004 . 1 . . . . 448 L H . 25674 1 342 . 1 1 111 111 LEU C C 13 181.110 0.03 . 1 . . . . 448 L C . 25674 1 343 . 1 1 111 111 LEU CA C 13 57.220 0.03 . 1 . . . . 448 L CA . 25674 1 344 . 1 1 111 111 LEU CB C 13 40.670 0.03 . 1 . . . . 448 L CB . 25674 1 345 . 1 1 111 111 LEU N N 15 119.490 0.04 . 1 . . . . 448 L N . 25674 1 346 . 1 1 112 112 MET H H 1 8.457 0.004 . 1 . . . . 449 M H . 25674 1 347 . 1 1 112 112 MET C C 13 178.390 0.03 . 1 . . . . 449 M C . 25674 1 348 . 1 1 112 112 MET CA C 13 59.440 0.03 . 1 . . . . 449 M CA . 25674 1 349 . 1 1 112 112 MET CB C 13 31.830 0.03 . 1 . . . . 449 M CB . 25674 1 350 . 1 1 112 112 MET N N 15 118.630 0.04 . 1 . . . . 449 M N . 25674 1 351 . 1 1 113 113 GLN H H 1 7.875 0.004 . 1 . . . . 450 Q H . 25674 1 352 . 1 1 113 113 GLN C C 13 175.890 0.03 . 1 . . . . 450 Q C . 25674 1 353 . 1 1 113 113 GLN CA C 13 57.500 0.03 . 1 . . . . 450 Q CA . 25674 1 354 . 1 1 113 113 GLN CB C 13 28.800 0.03 . 1 . . . . 450 Q CB . 25674 1 355 . 1 1 113 113 GLN N N 15 116.180 0.04 . 1 . . . . 450 Q N . 25674 1 356 . 1 1 114 114 GLU H H 1 7.124 0.004 . 1 . . . . 451 E H . 25674 1 357 . 1 1 114 114 GLU C C 13 176.680 0.03 . 1 . . . . 451 E C . 25674 1 358 . 1 1 114 114 GLU CA C 13 56.060 0.03 . 1 . . . . 451 E CA . 25674 1 359 . 1 1 114 114 GLU CB C 13 29.190 0.03 . 1 . . . . 451 E CB . 25674 1 360 . 1 1 114 114 GLU N N 15 116.780 0.04 . 1 . . . . 451 E N . 25674 1 361 . 1 1 115 115 LYS H H 1 7.350 0.004 . 1 . . . . 452 K H . 25674 1 362 . 1 1 115 115 LYS C C 13 176.470 0.03 . 1 . . . . 452 K C . 25674 1 363 . 1 1 115 115 LYS CA C 13 53.400 0.03 . 1 . . . . 452 K CA . 25674 1 364 . 1 1 115 115 LYS CB C 13 32.070 0.03 . 1 . . . . 452 K CB . 25674 1 365 . 1 1 115 115 LYS N N 15 117.790 0.04 . 1 . . . . 452 K N . 25674 1 366 . 1 1 116 116 GLU H H 1 8.871 0.004 . 1 . . . . 453 E H . 25674 1 367 . 1 1 116 116 GLU C C 13 176.820 0.03 . 1 . . . . 453 E C . 25674 1 368 . 1 1 116 116 GLU CA C 13 55.000 0.03 . 1 . . . . 453 E CA . 25674 1 369 . 1 1 116 116 GLU CB C 13 28.270 0.03 . 1 . . . . 453 E CB . 25674 1 370 . 1 1 116 116 GLU N N 15 123.930 0.04 . 1 . . . . 453 E N . 25674 1 371 . 1 1 117 117 THR H H 1 7.465 0.004 . 1 . . . . 454 T H . 25674 1 372 . 1 1 117 117 THR C C 13 175.830 0.03 . 1 . . . . 454 T C . 25674 1 373 . 1 1 117 117 THR CA C 13 60.590 0.03 . 1 . . . . 454 T CA . 25674 1 374 . 1 1 117 117 THR CB C 13 68.530 0.03 . 1 . . . . 454 T CB . 25674 1 375 . 1 1 117 117 THR N N 15 111.140 0.04 . 1 . . . . 454 T N . 25674 1 376 . 1 1 118 118 GLY H H 1 8.579 0.004 . 1 . . . . 455 G H . 25674 1 377 . 1 1 118 118 GLY C C 13 171.970 0.03 . 1 . . . . 455 G C . 25674 1 378 . 1 1 118 118 GLY CA C 13 46.290 0.03 . 1 . . . . 455 G CA . 25674 1 379 . 1 1 118 118 GLY N N 15 109.320 0.04 . 1 . . . . 455 G N . 25674 1 380 . 1 1 119 119 LEU H H 1 7.237 0.004 . 1 . . . . 456 L H . 25674 1 381 . 1 1 119 119 LEU C C 13 173.870 0.03 . 1 . . . . 456 L C . 25674 1 382 . 1 1 119 119 LEU CA C 13 55.030 0.03 . 1 . . . . 456 L CA . 25674 1 383 . 1 1 119 119 LEU CB C 13 42.230 0.03 . 1 . . . . 456 L CB . 25674 1 384 . 1 1 119 119 LEU N N 15 117.350 0.04 . 1 . . . . 456 L N . 25674 1 385 . 1 1 120 120 ASN H H 1 8.421 0.004 . 1 . . . . 457 N H . 25674 1 386 . 1 1 120 120 ASN C C 13 173.750 0.03 . 1 . . . . 457 N C . 25674 1 387 . 1 1 120 120 ASN CA C 13 51.530 0.03 . 1 . . . . 457 N CA . 25674 1 388 . 1 1 120 120 ASN CB C 13 40.150 0.03 . 1 . . . . 457 N CB . 25674 1 389 . 1 1 120 120 ASN N N 15 126.630 0.04 . 1 . . . . 457 N N . 25674 1 390 . 1 1 121 121 VAL H H 1 9.070 0.004 . 1 . . . . 458 V H . 25674 1 391 . 1 1 121 121 VAL C C 13 173.410 0.03 . 1 . . . . 458 V C . 25674 1 392 . 1 1 121 121 VAL CA C 13 60.560 0.03 . 1 . . . . 458 V CA . 25674 1 393 . 1 1 121 121 VAL CB C 13 32.170 0.03 . 1 . . . . 458 V CB . 25674 1 394 . 1 1 121 121 VAL N N 15 125.230 0.04 . 1 . . . . 458 V N . 25674 1 395 . 1 1 122 122 PHE H H 1 9.417 0.004 . 1 . . . . 459 F H . 25674 1 396 . 1 1 122 122 PHE C C 13 173.090 0.03 . 1 . . . . 459 F C . 25674 1 397 . 1 1 122 122 PHE CA C 13 52.680 0.03 . 1 . . . . 459 F CA . 25674 1 398 . 1 1 122 122 PHE CB C 13 39.370 0.03 . 1 . . . . 459 F CB . 25674 1 399 . 1 1 122 122 PHE N N 15 131.680 0.04 . 1 . . . . 459 F N . 25674 1 400 . 1 1 123 123 LEU H H 1 9.685 0.004 . 1 . . . . 460 L H . 25674 1 401 . 1 1 123 123 LEU C C 13 173.540 0.03 . 1 . . . . 460 L C . 25674 1 402 . 1 1 123 123 LEU CA C 13 52.450 0.03 . 1 . . . . 460 L CA . 25674 1 403 . 1 1 123 123 LEU CB C 13 44.750 0.03 . 1 . . . . 460 L CB . 25674 1 404 . 1 1 123 123 LEU N N 15 125.620 0.04 . 1 . . . . 460 L N . 25674 1 405 . 1 1 124 124 LEU H H 1 8.490 0.004 . 1 . . . . 461 L H . 25674 1 406 . 1 1 124 124 LEU C C 13 173.930 0.03 . 1 . . . . 461 L C . 25674 1 407 . 1 1 124 124 LEU CA C 13 52.390 0.03 . 1 . . . . 461 L CA . 25674 1 408 . 1 1 124 124 LEU CB C 13 42.920 0.03 . 1 . . . . 461 L CB . 25674 1 409 . 1 1 124 124 LEU N N 15 122.860 0.04 . 1 . . . . 461 L N . 25674 1 410 . 1 1 125 125 ASP H H 1 8.941 0.004 . 1 . . . . 462 D H . 25674 1 411 . 1 1 125 125 ASP C C 13 175.420 0.03 . 1 . . . . 462 D C . 25674 1 412 . 1 1 125 125 ASP CA C 13 51.420 0.03 . 1 . . . . 462 D CA . 25674 1 413 . 1 1 125 125 ASP CB C 13 40.890 0.03 . 1 . . . . 462 D CB . 25674 1 414 . 1 1 125 125 ASP N N 15 126.570 0.04 . 1 . . . . 462 D N . 25674 1 415 . 1 1 126 126 MET H H 1 7.966 0.004 . 1 . . . . 463 M H . 25674 1 416 . 1 1 126 126 MET C C 13 175.720 0.03 . 1 . . . . 463 M C . 25674 1 417 . 1 1 126 126 MET CA C 13 54.470 0.03 . 1 . . . . 463 M CA . 25674 1 418 . 1 1 126 126 MET CB C 13 35.990 0.03 . 1 . . . . 463 M CB . 25674 1 419 . 1 1 126 126 MET N N 15 117.310 0.04 . 1 . . . . 463 M N . 25674 1 420 . 1 1 127 127 CYS H H 1 8.190 0.004 . 1 . . . . 464 C H . 25674 1 421 . 1 1 127 127 CYS CA C 13 57.750 0.03 . 1 . . . . 464 C CA . 25674 1 422 . 1 1 127 127 CYS CB C 13 41.840 0.03 . 1 . . . . 464 C CB . 25674 1 423 . 1 1 127 127 CYS N N 15 123.210 0.04 . 1 . . . . 464 C N . 25674 1 424 . 1 1 128 128 ARG H H 1 8.901 0.004 . 1 . . . . 465 R H . 25674 1 425 . 1 1 128 128 ARG C C 13 175.400 0.03 . 1 . . . . 465 R C . 25674 1 426 . 1 1 128 128 ARG CA C 13 55.090 0.03 . 1 . . . . 465 R CA . 25674 1 427 . 1 1 128 128 ARG CB C 13 31.440 0.03 . 1 . . . . 465 R CB . 25674 1 428 . 1 1 128 128 ARG N N 15 129.640 0.04 . 1 . . . . 465 R N . 25674 1 429 . 1 1 133 133 TYR C C 13 175.400 0.03 . 1 . . . . 470 Y C . 25674 1 430 . 1 1 133 133 TYR CA C 13 57.230 0.03 . 1 . . . . 470 Y CA . 25674 1 431 . 1 1 134 134 ASP H H 1 7.967 0.004 . 1 . . . . 471 D H . 25674 1 432 . 1 1 134 134 ASP CA C 13 53.910 0.03 . 1 . . . . 471 D CA . 25674 1 433 . 1 1 134 134 ASP CB C 13 40.720 0.03 . 1 . . . . 471 D CB . 25674 1 434 . 1 1 134 134 ASP N N 15 121.900 0.04 . 1 . . . . 471 D N . 25674 1 435 . 1 1 135 135 ASP H H 1 8.282 0.004 . 1 . . . . 472 D H . 25674 1 436 . 1 1 135 135 ASP C C 13 176.500 0.03 . 1 . . . . 472 D C . 25674 1 437 . 1 1 135 135 ASP CA C 13 53.710 0.03 . 1 . . . . 472 D CA . 25674 1 438 . 1 1 135 135 ASP CB C 13 40.590 0.03 . 1 . . . . 472 D CB . 25674 1 439 . 1 1 135 135 ASP N N 15 122.860 0.04 . 1 . . . . 472 D N . 25674 1 440 . 1 1 136 136 THR H H 1 8.163 0.004 . 1 . . . . 473 T H . 25674 1 441 . 1 1 136 136 THR C C 13 174.660 0.03 . 1 . . . . 473 T C . 25674 1 442 . 1 1 136 136 THR CA C 13 62.140 0.03 . 1 . . . . 473 T CA . 25674 1 443 . 1 1 136 136 THR CB C 13 69.350 0.03 . 1 . . . . 473 T CB . 25674 1 444 . 1 1 136 136 THR N N 15 115.270 0.04 . 1 . . . . 473 T N . 25674 1 445 . 1 1 137 137 ILE H H 1 7.754 0.004 . 1 . . . . 474 I H . 25674 1 446 . 1 1 137 137 ILE C C 13 174.400 0.03 . 1 . . . . 474 I C . 25674 1 447 . 1 1 137 137 ILE CA C 13 58.400 0.03 . 1 . . . . 474 I CA . 25674 1 448 . 1 1 137 137 ILE CB C 13 37.620 0.03 . 1 . . . . 474 I CB . 25674 1 449 . 1 1 137 137 ILE N N 15 123.870 0.04 . 1 . . . . 474 I N . 25674 1 450 . 1 1 138 138 PRO C C 13 177.080 0.03 . 1 . . . . 475 P C . 25674 1 451 . 1 1 138 138 PRO CA C 13 62.960 0.03 . 1 . . . . 475 P CA . 25674 1 452 . 1 1 138 138 PRO CB C 13 31.070 0.03 . 1 . . . . 475 P CB . 25674 1 453 . 1 1 139 139 ILE H H 1 8.190 0.004 . 1 . . . . 476 I H . 25674 1 454 . 1 1 139 139 ILE CA C 13 61.000 0.03 . 1 . . . . 476 I CA . 25674 1 455 . 1 1 139 139 ILE CB C 13 37.550 0.03 . 1 . . . . 476 I CB . 25674 1 456 . 1 1 139 139 ILE N N 15 121.160 0.04 . 1 . . . . 476 I N . 25674 1 457 . 1 1 149 149 ILE C C 13 175.370 0.03 . 1 . . . . 486 I C . 25674 1 458 . 1 1 149 149 ILE CA C 13 59.490 0.03 . 1 . . . . 486 I CA . 25674 1 459 . 1 1 149 149 ILE CB C 13 38.710 0.03 . 1 . . . . 486 I CB . 25674 1 460 . 1 1 150 150 VAL H H 1 9.133 0.004 . 1 . . . . 487 V H . 25674 1 461 . 1 1 150 150 VAL C C 13 172.120 0.03 . 1 . . . . 487 V C . 25674 1 462 . 1 1 150 150 VAL CA C 13 61.870 0.03 . 1 . . . . 487 V CA . 25674 1 463 . 1 1 150 150 VAL CB C 13 33.370 0.03 . 1 . . . . 487 V CB . 25674 1 464 . 1 1 150 150 VAL N N 15 128.140 0.04 . 1 . . . . 487 V N . 25674 1 465 . 1 1 151 151 PHE H H 1 9.109 0.004 . 1 . . . . 488 F H . 25674 1 466 . 1 1 151 151 PHE C C 13 173.440 0.03 . 1 . . . . 488 F C . 25674 1 467 . 1 1 151 151 PHE CA C 13 54.590 0.03 . 1 . . . . 488 F CA . 25674 1 468 . 1 1 151 151 PHE CB C 13 41.490 0.03 . 1 . . . . 488 F CB . 25674 1 469 . 1 1 151 151 PHE N N 15 129.710 0.04 . 1 . . . . 488 F N . 25674 1 470 . 1 1 152 152 GLY H H 1 8.916 0.004 . 1 . . . . 489 G H . 25674 1 471 . 1 1 152 152 GLY C C 13 169.300 0.03 . 1 . . . . 489 G C . 25674 1 472 . 1 1 152 152 GLY CA C 13 43.720 0.03 . 1 . . . . 489 G CA . 25674 1 473 . 1 1 152 152 GLY N N 15 113.960 0.04 . 1 . . . . 489 G N . 25674 1 474 . 1 1 153 153 TYR H H 1 8.851 0.004 . 1 . . . . 490 Y H . 25674 1 475 . 1 1 153 153 TYR C C 13 173.380 0.03 . 1 . . . . 490 Y C . 25674 1 476 . 1 1 153 153 TYR CA C 13 55.740 0.03 . 1 . . . . 490 Y CA . 25674 1 477 . 1 1 153 153 TYR CB C 13 39.640 0.03 . 1 . . . . 490 Y CB . 25674 1 478 . 1 1 153 153 TYR N N 15 127.560 0.04 . 1 . . . . 490 Y N . 25674 1 479 . 1 1 154 154 ALA H H 1 9.069 0.004 . 1 . . . . 491 A H . 25674 1 480 . 1 1 154 154 ALA CA C 13 50.010 0.03 . 1 . . . . 491 A CA . 25674 1 481 . 1 1 154 154 ALA CB C 13 18.650 0.03 . 1 . . . . 491 A CB . 25674 1 482 . 1 1 154 154 ALA N N 15 134.390 0.04 . 1 . . . . 491 A N . 25674 1 483 . 1 1 158 158 GLY C C 13 174.090 0.03 . 1 . . . . 495 G C . 25674 1 484 . 1 1 158 158 GLY CA C 13 45.050 0.03 . 1 . . . . 495 G CA . 25674 1 485 . 1 1 159 159 ALA H H 1 8.162 0.004 . 1 . . . . 496 A H . 25674 1 486 . 1 1 159 159 ALA C C 13 177.910 0.03 . 1 . . . . 496 A C . 25674 1 487 . 1 1 159 159 ALA CA C 13 52.360 0.03 . 1 . . . . 496 A CA . 25674 1 488 . 1 1 159 159 ALA CB C 13 18.370 0.03 . 1 . . . . 496 A CB . 25674 1 489 . 1 1 159 159 ALA N N 15 123.840 0.04 . 1 . . . . 496 A N . 25674 1 490 . 1 1 160 160 GLU H H 1 8.691 0.004 . 1 . . . . 497 E H . 25674 1 491 . 1 1 160 160 GLU C C 13 176.400 0.03 . 1 . . . . 497 E C . 25674 1 492 . 1 1 160 160 GLU CA C 13 56.730 0.03 . 1 . . . . 497 E CA . 25674 1 493 . 1 1 160 160 GLU CB C 13 28.900 0.03 . 1 . . . . 497 E CB . 25674 1 494 . 1 1 160 160 GLU N N 15 120.060 0.04 . 1 . . . . 497 E N . 25674 1 495 . 1 1 161 161 ALA H H 1 8.084 0.004 . 1 . . . . 498 A H . 25674 1 496 . 1 1 161 161 ALA C C 13 177.400 0.03 . 1 . . . . 498 A C . 25674 1 497 . 1 1 161 161 ALA CA C 13 52.330 0.03 . 1 . . . . 498 A CA . 25674 1 498 . 1 1 161 161 ALA CB C 13 18.460 0.03 . 1 . . . . 498 A CB . 25674 1 499 . 1 1 161 161 ALA N N 15 124.330 0.04 . 1 . . . . 498 A N . 25674 1 500 . 1 1 162 162 PHE H H 1 7.930 0.004 . 1 . . . . 499 F H . 25674 1 501 . 1 1 162 162 PHE C C 13 175.700 0.03 . 1 . . . . 499 F C . 25674 1 502 . 1 1 162 162 PHE CA C 13 57.490 0.03 . 1 . . . . 499 F CA . 25674 1 503 . 1 1 162 162 PHE CB C 13 38.480 0.03 . 1 . . . . 499 F CB . 25674 1 504 . 1 1 162 162 PHE N N 15 118.200 0.04 . 1 . . . . 499 F N . 25674 1 505 . 1 1 163 163 GLU H H 1 8.143 0.004 . 1 . . . . 500 E H . 25674 1 506 . 1 1 163 163 GLU C C 13 176.440 0.03 . 1 . . . . 500 E C . 25674 1 507 . 1 1 163 163 GLU CA C 13 56.170 0.03 . 1 . . . . 500 E CA . 25674 1 508 . 1 1 163 163 GLU CB C 13 29.580 0.03 . 1 . . . . 500 E CB . 25674 1 509 . 1 1 163 163 GLU N N 15 121.590 0.04 . 1 . . . . 500 E N . 25674 1 510 . 1 1 164 164 ILE H H 1 8.068 0.004 . 1 . . . . 501 I H . 25674 1 511 . 1 1 164 164 ILE C C 13 176.400 0.03 . 1 . . . . 501 I C . 25674 1 512 . 1 1 164 164 ILE CA C 13 61.190 0.03 . 1 . . . . 501 I CA . 25674 1 513 . 1 1 164 164 ILE CB C 13 37.630 0.03 . 1 . . . . 501 I CB . 25674 1 514 . 1 1 164 164 ILE N N 15 121.930 0.04 . 1 . . . . 501 I N . 25674 1 515 . 1 1 165 165 GLN H H 1 8.312 0.004 . 1 . . . . 502 Q H . 25674 1 516 . 1 1 165 165 GLN C C 13 176.000 0.03 . 1 . . . . 502 Q C . 25674 1 517 . 1 1 165 165 GLN CA C 13 55.630 0.03 . 1 . . . . 502 Q CA . 25674 1 518 . 1 1 165 165 GLN CB C 13 28.400 0.03 . 1 . . . . 502 Q CB . 25674 1 519 . 1 1 165 165 GLN N N 15 123.370 0.04 . 1 . . . . 502 Q N . 25674 1 520 . 1 1 168 168 GLY C C 13 173.400 0.03 . 1 . . . . 505 G C . 25674 1 521 . 1 1 168 168 GLY CA C 13 44.590 0.03 . 1 . . . . 505 G CA . 25674 1 522 . 1 1 169 169 LEU H H 1 7.997 0.004 . 1 . . . . 506 L H . 25674 1 523 . 1 1 169 169 LEU C C 13 175.770 0.03 . 1 . . . . 506 L C . 25674 1 524 . 1 1 169 169 LEU CA C 13 53.960 0.03 . 1 . . . . 506 L CA . 25674 1 525 . 1 1 169 169 LEU CB C 13 40.870 0.03 . 1 . . . . 506 L CB . 25674 1 526 . 1 1 169 169 LEU N N 15 122.200 0.04 . 1 . . . . 506 L N . 25674 1 527 . 1 1 170 170 ALA H H 1 7.782 0.004 . 1 . . . . 507 A H . 25674 1 528 . 1 1 170 170 ALA C C 13 176.380 0.03 . 1 . . . . 507 A C . 25674 1 529 . 1 1 170 170 ALA CA C 13 51.020 0.03 . 1 . . . . 507 A CA . 25674 1 530 . 1 1 170 170 ALA CB C 13 20.170 0.03 . 1 . . . . 507 A CB . 25674 1 531 . 1 1 170 170 ALA N N 15 124.690 0.04 . 1 . . . . 507 A N . 25674 1 532 . 1 1 171 171 ASN H H 1 7.789 0.004 . 1 . . . . 508 N H . 25674 1 533 . 1 1 171 171 ASN C C 13 177.430 0.03 . 1 . . . . 508 N C . 25674 1 534 . 1 1 171 171 ASN CA C 13 54.270 0.03 . 1 . . . . 508 N CA . 25674 1 535 . 1 1 171 171 ASN CB C 13 42.100 0.03 . 1 . . . . 508 N CB . 25674 1 536 . 1 1 171 171 ASN N N 15 116.130 0.04 . 1 . . . . 508 N N . 25674 1 537 . 1 1 172 172 GLY H H 1 10.041 0.004 . 1 . . . . 509 G H . 25674 1 538 . 1 1 172 172 GLY C C 13 173.850 0.03 . 1 . . . . 509 G C . 25674 1 539 . 1 1 172 172 GLY CA C 13 43.780 0.03 . 1 . . . . 509 G CA . 25674 1 540 . 1 1 172 172 GLY N N 15 112.090 0.04 . 1 . . . . 509 G N . 25674 1 541 . 1 1 173 173 ILE H H 1 8.309 0.004 . 1 . . . . 510 I H . 25674 1 542 . 1 1 173 173 ILE CA C 13 64.100 0.03 . 1 . . . . 510 I CA . 25674 1 543 . 1 1 173 173 ILE CB C 13 36.490 0.03 . 1 . . . . 510 I CB . 25674 1 544 . 1 1 173 173 ILE N N 15 119.650 0.04 . 1 . . . . 510 I N . 25674 1 545 . 1 1 174 174 PHE C C 13 177.380 0.03 . 1 . . . . 511 F C . 25674 1 546 . 1 1 175 175 MET H H 1 9.483 0.004 . 1 . . . . 512 M H . 25674 1 547 . 1 1 175 175 MET C C 13 177.880 0.03 . 1 . . . . 512 M C . 25674 1 548 . 1 1 175 175 MET CA C 13 54.690 0.03 . 1 . . . . 512 M CA . 25674 1 549 . 1 1 175 175 MET CB C 13 27.660 0.03 . 1 . . . . 512 M CB . 25674 1 550 . 1 1 175 175 MET N N 15 119.530 0.04 . 1 . . . . 512 M N . 25674 1 551 . 1 1 176 176 LYS H H 1 8.284 0.004 . 1 . . . . 513 K H . 25674 1 552 . 1 1 176 176 LYS C C 13 178.180 0.03 . 1 . . . . 513 K C . 25674 1 553 . 1 1 176 176 LYS CA C 13 59.440 0.03 . 1 . . . . 513 K CA . 25674 1 554 . 1 1 176 176 LYS CB C 13 30.800 0.03 . 1 . . . . 513 K CB . 25674 1 555 . 1 1 176 176 LYS N N 15 119.040 0.04 . 1 . . . . 513 K N . 25674 1 556 . 1 1 177 177 PHE H H 1 7.187 0.004 . 1 . . . . 514 F H . 25674 1 557 . 1 1 177 177 PHE C C 13 178.100 0.03 . 1 . . . . 514 F C . 25674 1 558 . 1 1 177 177 PHE CA C 13 59.840 0.03 . 1 . . . . 514 F CA . 25674 1 559 . 1 1 177 177 PHE CB C 13 39.740 0.03 . 1 . . . . 514 F CB . 25674 1 560 . 1 1 177 177 PHE N N 15 114.270 0.04 . 1 . . . . 514 F N . 25674 1 561 . 1 1 178 178 LEU H H 1 8.778 0.004 . 1 . . . . 515 L H . 25674 1 562 . 1 1 178 178 LEU C C 13 179.880 0.03 . 1 . . . . 515 L C . 25674 1 563 . 1 1 178 178 LEU CA C 13 57.400 0.03 . 1 . . . . 515 L CA . 25674 1 564 . 1 1 178 178 LEU CB C 13 41.380 0.03 . 1 . . . . 515 L CB . 25674 1 565 . 1 1 178 178 LEU N N 15 122.820 0.04 . 1 . . . . 515 L N . 25674 1 566 . 1 1 179 179 LYS H H 1 8.605 0.004 . 1 . . . . 516 K H . 25674 1 567 . 1 1 179 179 LYS C C 13 176.920 0.03 . 1 . . . . 516 K C . 25674 1 568 . 1 1 179 179 LYS CA C 13 59.280 0.03 . 1 . . . . 516 K CA . 25674 1 569 . 1 1 179 179 LYS CB C 13 30.770 0.03 . 1 . . . . 516 K CB . 25674 1 570 . 1 1 179 179 LYS N N 15 115.900 0.04 . 1 . . . . 516 K N . 25674 1 571 . 1 1 180 180 ASP H H 1 6.959 0.004 . 1 . . . . 517 D H . 25674 1 572 . 1 1 180 180 ASP C C 13 176.960 0.03 . 1 . . . . 517 D C . 25674 1 573 . 1 1 180 180 ASP CA C 13 55.280 0.03 . 1 . . . . 517 D CA . 25674 1 574 . 1 1 180 180 ASP CB C 13 40.280 0.03 . 1 . . . . 517 D CB . 25674 1 575 . 1 1 180 180 ASP N N 15 116.950 0.04 . 1 . . . . 517 D N . 25674 1 576 . 1 1 181 181 ARG H H 1 7.456 0.004 . 1 . . . . 518 R H . 25674 1 577 . 1 1 181 181 ARG C C 13 176.800 0.03 . 1 . . . . 518 R C . 25674 1 578 . 1 1 181 181 ARG CA C 13 55.490 0.03 . 1 . . . . 518 R CA . 25674 1 579 . 1 1 181 181 ARG CB C 13 31.220 0.03 . 1 . . . . 518 R CB . 25674 1 580 . 1 1 181 181 ARG N N 15 116.660 0.04 . 1 . . . . 518 R N . 25674 1 581 . 1 1 182 182 LEU H H 1 7.003 0.004 . 1 . . . . 519 L H . 25674 1 582 . 1 1 182 182 LEU C C 13 175.230 0.03 . 1 . . . . 519 L C . 25674 1 583 . 1 1 182 182 LEU CA C 13 57.240 0.03 . 1 . . . . 519 L CA . 25674 1 584 . 1 1 182 182 LEU CB C 13 42.100 0.03 . 1 . . . . 519 L CB . 25674 1 585 . 1 1 182 182 LEU N N 15 117.010 0.04 . 1 . . . . 519 L N . 25674 1 586 . 1 1 183 183 LEU H H 1 7.797 0.004 . 1 . . . . 520 L H . 25674 1 587 . 1 1 183 183 LEU C C 13 177.450 0.03 . 1 . . . . 520 L C . 25674 1 588 . 1 1 183 183 LEU CA C 13 53.800 0.03 . 1 . . . . 520 L CA . 25674 1 589 . 1 1 183 183 LEU CB C 13 39.560 0.03 . 1 . . . . 520 L CB . 25674 1 590 . 1 1 183 183 LEU N N 15 112.340 0.04 . 1 . . . . 520 L N . 25674 1 591 . 1 1 184 184 GLU H H 1 7.568 0.004 . 1 . . . . 521 E H . 25674 1 592 . 1 1 184 184 GLU C C 13 176.390 0.03 . 1 . . . . 521 E C . 25674 1 593 . 1 1 184 184 GLU CA C 13 56.570 0.03 . 1 . . . . 521 E CA . 25674 1 594 . 1 1 184 184 GLU CB C 13 30.070 0.03 . 1 . . . . 521 E CB . 25674 1 595 . 1 1 184 184 GLU N N 15 119.040 0.04 . 1 . . . . 521 E N . 25674 1 596 . 1 1 185 185 ASP H H 1 8.421 0.004 . 1 . . . . 522 D H . 25674 1 597 . 1 1 185 185 ASP C C 13 175.460 0.03 . 1 . . . . 522 D C . 25674 1 598 . 1 1 185 185 ASP CA C 13 52.250 0.03 . 1 . . . . 522 D CA . 25674 1 599 . 1 1 185 185 ASP CB C 13 38.310 0.03 . 1 . . . . 522 D CB . 25674 1 600 . 1 1 185 185 ASP N N 15 122.690 0.04 . 1 . . . . 522 D N . 25674 1 601 . 1 1 186 186 LYS H H 1 7.425 0.004 . 1 . . . . 523 K H . 25674 1 602 . 1 1 186 186 LYS C C 13 173.700 0.03 . 1 . . . . 523 K C . 25674 1 603 . 1 1 186 186 LYS CA C 13 53.910 0.03 . 1 . . . . 523 K CA . 25674 1 604 . 1 1 186 186 LYS CB C 13 35.860 0.03 . 1 . . . . 523 K CB . 25674 1 605 . 1 1 186 186 LYS N N 15 123.660 0.04 . 1 . . . . 523 K N . 25674 1 606 . 1 1 187 187 LYS H H 1 8.617 0.004 . 1 . . . . 524 K H . 25674 1 607 . 1 1 187 187 LYS C C 13 179.530 0.03 . 1 . . . . 524 K C . 25674 1 608 . 1 1 187 187 LYS CA C 13 56.470 0.03 . 1 . . . . 524 K CA . 25674 1 609 . 1 1 187 187 LYS CB C 13 32.770 0.03 . 1 . . . . 524 K CB . 25674 1 610 . 1 1 187 187 LYS N N 15 122.980 0.04 . 1 . . . . 524 K N . 25674 1 611 . 1 1 188 188 ILE H H 1 8.251 0.004 . 1 . . . . 525 I H . 25674 1 612 . 1 1 188 188 ILE C C 13 175.190 0.03 . 1 . . . . 525 I C . 25674 1 613 . 1 1 188 188 ILE CA C 13 61.590 0.03 . 1 . . . . 525 I CA . 25674 1 614 . 1 1 188 188 ILE CB C 13 36.530 0.03 . 1 . . . . 525 I CB . 25674 1 615 . 1 1 188 188 ILE N N 15 125.830 0.04 . 1 . . . . 525 I N . 25674 1 616 . 1 1 189 189 THR H H 1 6.816 0.004 . 1 . . . . 526 T H . 25674 1 617 . 1 1 189 189 THR C C 13 176.170 0.03 . 1 . . . . 526 T C . 25674 1 618 . 1 1 189 189 THR CA C 13 64.610 0.03 . 1 . . . . 526 T CA . 25674 1 619 . 1 1 189 189 THR CB C 13 66.060 0.03 . 1 . . . . 526 T CB . 25674 1 620 . 1 1 189 189 THR N N 15 110.190 0.04 . 1 . . . . 526 T N . 25674 1 621 . 1 1 190 190 VAL H H 1 6.777 0.004 . 1 . . . . 527 V H . 25674 1 622 . 1 1 190 190 VAL C C 13 177.790 0.03 . 1 . . . . 527 V C . 25674 1 623 . 1 1 190 190 VAL CA C 13 64.880 0.03 . 1 . . . . 527 V CA . 25674 1 624 . 1 1 190 190 VAL CB C 13 30.870 0.03 . 1 . . . . 527 V CB . 25674 1 625 . 1 1 190 190 VAL N N 15 123.980 0.04 . 1 . . . . 527 V N . 25674 1 626 . 1 1 191 191 LEU H H 1 7.509 0.004 . 1 . . . . 528 L H . 25674 1 627 . 1 1 191 191 LEU C C 13 179.380 0.03 . 1 . . . . 528 L C . 25674 1 628 . 1 1 191 191 LEU CA C 13 58.380 0.03 . 1 . . . . 528 L CA . 25674 1 629 . 1 1 191 191 LEU CB C 13 42.060 0.03 . 1 . . . . 528 L CB . 25674 1 630 . 1 1 191 191 LEU N N 15 120.380 0.04 . 1 . . . . 528 L N . 25674 1 631 . 1 1 192 192 LEU H H 1 7.987 0.004 . 1 . . . . 529 L H . 25674 1 632 . 1 1 192 192 LEU C C 13 178.200 0.03 . 1 . . . . 529 L C . 25674 1 633 . 1 1 192 192 LEU CA C 13 57.470 0.03 . 1 . . . . 529 L CA . 25674 1 634 . 1 1 192 192 LEU CB C 13 40.140 0.03 . 1 . . . . 529 L CB . 25674 1 635 . 1 1 192 192 LEU N N 15 116.550 0.04 . 1 . . . . 529 L N . 25674 1 636 . 1 1 193 193 ASP H H 1 7.930 0.004 . 1 . . . . 530 D H . 25674 1 637 . 1 1 193 193 ASP C C 13 179.800 0.03 . 1 . . . . 530 D C . 25674 1 638 . 1 1 193 193 ASP CA C 13 57.290 0.03 . 1 . . . . 530 D CA . 25674 1 639 . 1 1 193 193 ASP CB C 13 39.720 0.03 . 1 . . . . 530 D CB . 25674 1 640 . 1 1 193 193 ASP N N 15 121.550 0.04 . 1 . . . . 530 D N . 25674 1 641 . 1 1 194 194 GLU H H 1 8.089 0.004 . 1 . . . . 531 E H . 25674 1 642 . 1 1 194 194 GLU C C 13 179.400 0.03 . 1 . . . . 531 E C . 25674 1 643 . 1 1 194 194 GLU CA C 13 59.190 0.03 . 1 . . . . 531 E CA . 25674 1 644 . 1 1 194 194 GLU CB C 13 27.850 0.03 . 1 . . . . 531 E CB . 25674 1 645 . 1 1 194 194 GLU N N 15 121.330 0.04 . 1 . . . . 531 E N . 25674 1 646 . 1 1 195 195 VAL H H 1 7.925 0.004 . 1 . . . . 532 V H . 25674 1 647 . 1 1 195 195 VAL C C 13 177.760 0.03 . 1 . . . . 532 V C . 25674 1 648 . 1 1 195 195 VAL CA C 13 66.130 0.03 . 1 . . . . 532 V CA . 25674 1 649 . 1 1 195 195 VAL CB C 13 30.340 0.03 . 1 . . . . 532 V CB . 25674 1 650 . 1 1 195 195 VAL N N 15 121.330 0.04 . 1 . . . . 532 V N . 25674 1 651 . 1 1 196 196 ALA H H 1 8.499 0.004 . 1 . . . . 533 A H . 25674 1 652 . 1 1 196 196 ALA C C 13 181.050 0.03 . 1 . . . . 533 A C . 25674 1 653 . 1 1 196 196 ALA CA C 13 55.050 0.03 . 1 . . . . 533 A CA . 25674 1 654 . 1 1 196 196 ALA CB C 13 17.000 0.03 . 1 . . . . 533 A CB . 25674 1 655 . 1 1 196 196 ALA N N 15 122.170 0.04 . 1 . . . . 533 A N . 25674 1 656 . 1 1 197 197 GLU H H 1 8.046 0.004 . 1 . . . . 534 E H . 25674 1 657 . 1 1 197 197 GLU C C 13 179.400 0.03 . 1 . . . . 534 E C . 25674 1 658 . 1 1 197 197 GLU CA C 13 58.650 0.03 . 1 . . . . 534 E CA . 25674 1 659 . 1 1 197 197 GLU CB C 13 28.350 0.03 . 1 . . . . 534 E CB . 25674 1 660 . 1 1 197 197 GLU N N 15 120.700 0.04 . 1 . . . . 534 E N . 25674 1 661 . 1 1 198 198 ASP H H 1 8.130 0.004 . 1 . . . . 535 D H . 25674 1 662 . 1 1 198 198 ASP C C 13 179.580 0.03 . 1 . . . . 535 D C . 25674 1 663 . 1 1 198 198 ASP CA C 13 57.060 0.03 . 1 . . . . 535 D CA . 25674 1 664 . 1 1 198 198 ASP CB C 13 39.400 0.03 . 1 . . . . 535 D CB . 25674 1 665 . 1 1 198 198 ASP N N 15 122.270 0.04 . 1 . . . . 535 D N . 25674 1 666 . 1 1 199 199 MET H H 1 8.334 0.004 . 1 . . . . 536 M H . 25674 1 667 . 1 1 199 199 MET C C 13 178.660 0.03 . 1 . . . . 536 M C . 25674 1 668 . 1 1 199 199 MET CA C 13 58.750 0.03 . 1 . . . . 536 M CA . 25674 1 669 . 1 1 199 199 MET CB C 13 32.740 0.03 . 1 . . . . 536 M CB . 25674 1 670 . 1 1 199 199 MET N N 15 119.090 0.04 . 1 . . . . 536 M N . 25674 1 671 . 1 1 200 200 GLY H H 1 7.854 0.004 . 1 . . . . 537 G H . 25674 1 672 . 1 1 200 200 GLY C C 13 174.980 0.03 . 1 . . . . 537 G C . 25674 1 673 . 1 1 200 200 GLY CA C 13 45.810 0.03 . 1 . . . . 537 G CA . 25674 1 674 . 1 1 200 200 GLY N N 15 106.240 0.04 . 1 . . . . 537 G N . 25674 1 675 . 1 1 201 201 LYS H H 1 7.247 0.004 . 1 . . . . 538 K H . 25674 1 676 . 1 1 201 201 LYS C C 13 176.750 0.03 . 1 . . . . 538 K C . 25674 1 677 . 1 1 201 201 LYS CA C 13 56.170 0.03 . 1 . . . . 538 K CA . 25674 1 678 . 1 1 201 201 LYS CB C 13 32.230 0.03 . 1 . . . . 538 K CB . 25674 1 679 . 1 1 201 201 LYS N N 15 118.500 0.04 . 1 . . . . 538 K N . 25674 1 680 . 1 1 207 207 GLY C C 13 174.160 0.03 . 1 . . . . 544 G C . 25674 1 681 . 1 1 207 207 GLY CA C 13 45.000 0.03 . 1 . . . . 544 G CA . 25674 1 682 . 1 1 208 208 LYS H H 1 7.974 0.004 . 1 . . . . 545 K H . 25674 1 683 . 1 1 208 208 LYS C C 13 175.680 0.03 . 1 . . . . 545 K C . 25674 1 684 . 1 1 208 208 LYS CA C 13 55.790 0.03 . 1 . . . . 545 K CA . 25674 1 685 . 1 1 208 208 LYS CB C 13 32.640 0.03 . 1 . . . . 545 K CB . 25674 1 686 . 1 1 208 208 LYS N N 15 119.990 0.04 . 1 . . . . 545 K N . 25674 1 687 . 1 1 209 209 GLN H H 1 9.661 0.004 . 1 . . . . 546 Q H . 25674 1 688 . 1 1 209 209 GLN CA C 13 55.830 0.03 . 1 . . . . 546 Q CA . 25674 1 689 . 1 1 209 209 GLN CB C 13 28.350 0.03 . 1 . . . . 546 Q CB . 25674 1 690 . 1 1 209 209 GLN N N 15 117.080 0.04 . 1 . . . . 546 Q N . 25674 1 691 . 1 1 211 211 LEU C C 13 173.930 0.03 . 1 . . . . 548 L C . 25674 1 692 . 1 1 211 211 LEU CA C 13 54.270 0.03 . 1 . . . . 548 L CA . 25674 1 693 . 1 1 211 211 LEU CB C 13 43.810 0.03 . 1 . . . . 548 L CB . 25674 1 694 . 1 1 212 212 GLU H H 1 8.206 0.004 . 1 . . . . 549 E H . 25674 1 695 . 1 1 212 212 GLU C C 13 174.710 0.03 . 1 . . . . 549 E C . 25674 1 696 . 1 1 212 212 GLU CA C 13 54.390 0.03 . 1 . . . . 549 E CA . 25674 1 697 . 1 1 212 212 GLU CB C 13 31.670 0.03 . 1 . . . . 549 E CB . 25674 1 698 . 1 1 212 212 GLU N N 15 127.290 0.04 . 1 . . . . 549 E N . 25674 1 699 . 1 1 213 213 ILE H H 1 8.755 0.004 . 1 . . . . 550 I H . 25674 1 700 . 1 1 213 213 ILE C C 13 177.020 0.03 . 1 . . . . 550 I C . 25674 1 701 . 1 1 213 213 ILE CA C 13 58.940 0.03 . 1 . . . . 550 I CA . 25674 1 702 . 1 1 213 213 ILE CB C 13 39.700 0.03 . 1 . . . . 550 I CB . 25674 1 703 . 1 1 213 213 ILE N N 15 124.320 0.04 . 1 . . . . 550 I N . 25674 1 704 . 1 1 214 214 ARG H H 1 9.463 0.004 . 1 . . . . 551 R H . 25674 1 705 . 1 1 214 214 ARG C C 13 174.550 0.03 . 1 . . . . 551 R C . 25674 1 706 . 1 1 214 214 ARG CA C 13 53.380 0.03 . 1 . . . . 551 R CA . 25674 1 707 . 1 1 214 214 ARG CB C 13 32.090 0.03 . 1 . . . . 551 R CB . 25674 1 708 . 1 1 214 214 ARG N N 15 127.480 0.04 . 1 . . . . 551 R N . 25674 1 709 . 1 1 215 215 SER H H 1 8.736 0.004 . 1 . . . . 552 S H . 25674 1 710 . 1 1 215 215 SER C C 13 173.700 0.03 . 1 . . . . 552 S C . 25674 1 711 . 1 1 215 215 SER CA C 13 57.140 0.03 . 1 . . . . 552 S CA . 25674 1 712 . 1 1 215 215 SER CB C 13 65.470 0.03 . 1 . . . . 552 S CB . 25674 1 713 . 1 1 215 215 SER N N 15 116.050 0.04 . 1 . . . . 552 S N . 25674 1 714 . 1 1 216 216 SER H H 1 8.864 0.004 . 1 . . . . 553 S H . 25674 1 715 . 1 1 216 216 SER CA C 13 56.590 0.03 . 1 . . . . 553 S CA . 25674 1 716 . 1 1 216 216 SER N N 15 119.000 0.04 . 1 . . . . 553 S N . 25674 1 717 . 1 1 220 220 LYS C C 13 174.740 0.03 . 1 . . . . 557 K C . 25674 1 718 . 1 1 220 220 LYS CA C 13 56.790 0.03 . 1 . . . . 557 K CA . 25674 1 719 . 1 1 220 220 LYS CB C 13 29.940 0.03 . 1 . . . . 557 K CB . 25674 1 720 . 1 1 221 221 ARG H H 1 7.178 0.004 . 1 . . . . 558 R H . 25674 1 721 . 1 1 221 221 ARG C C 13 173.650 0.03 . 1 . . . . 558 R C . 25674 1 722 . 1 1 221 221 ARG CA C 13 54.570 0.03 . 1 . . . . 558 R CA . 25674 1 723 . 1 1 221 221 ARG CB C 13 32.780 0.03 . 1 . . . . 558 R CB . 25674 1 724 . 1 1 221 221 ARG N N 15 125.700 0.04 . 1 . . . . 558 R N . 25674 1 725 . 1 1 222 222 ALA H H 1 8.800 0.004 . 1 . . . . 559 A H . 25674 1 726 . 1 1 222 222 ALA C C 13 177.840 0.03 . 1 . . . . 559 A C . 25674 1 727 . 1 1 222 222 ALA CA C 13 50.060 0.03 . 1 . . . . 559 A CA . 25674 1 728 . 1 1 222 222 ALA CB C 13 23.920 0.03 . 1 . . . . 559 A CB . 25674 1 729 . 1 1 222 222 ALA N N 15 125.420 0.04 . 1 . . . . 559 A N . 25674 1 730 . 1 1 223 223 LEU H H 1 9.965 0.004 . 1 . . . . 560 L H . 25674 1 731 . 1 1 223 223 LEU C C 13 176.710 0.03 . 1 . . . . 560 L C . 25674 1 732 . 1 1 223 223 LEU CA C 13 57.020 0.03 . 1 . . . . 560 L CA . 25674 1 733 . 1 1 223 223 LEU CB C 13 39.570 0.03 . 1 . . . . 560 L CB . 25674 1 734 . 1 1 223 223 LEU N N 15 120.130 0.04 . 1 . . . . 560 L N . 25674 1 735 . 1 1 224 224 THR H H 1 7.269 0.004 . 1 . . . . 561 T H . 25674 1 736 . 1 1 224 224 THR C C 13 175.630 0.03 . 1 . . . . 561 T C . 25674 1 737 . 1 1 224 224 THR CA C 13 60.810 0.03 . 1 . . . . 561 T CA . 25674 1 738 . 1 1 224 224 THR CB C 13 68.720 0.03 . 1 . . . . 561 T CB . 25674 1 739 . 1 1 224 224 THR N N 15 103.870 0.04 . 1 . . . . 561 T N . 25674 1 740 . 1 1 225 225 ASP H H 1 7.690 0.004 . 1 . . . . 562 D H . 25674 1 741 . 1 1 225 225 ASP C C 13 173.400 0.03 . 1 . . . . 562 D C . 25674 1 742 . 1 1 225 225 ASP CA C 13 53.640 0.03 . 1 . . . . 562 D CA . 25674 1 743 . 1 1 225 225 ASP CB C 13 37.770 0.03 . 1 . . . . 562 D CB . 25674 1 744 . 1 1 225 225 ASP N N 15 126.940 0.04 . 1 . . . . 562 D N . 25674 1 745 . 1 1 226 226 PRO C C 13 175.360 0.03 . 1 . . . . 563 P C . 25674 1 746 . 1 1 226 226 PRO CA C 13 61.760 0.03 . 1 . . . . 563 P CA . 25674 1 747 . 1 1 226 226 PRO CB C 13 31.410 0.03 . 1 . . . . 563 P CB . 25674 1 748 . 1 1 227 227 ILE H H 1 8.126 0.004 . 1 . . . . 564 I H . 25674 1 749 . 1 1 227 227 ILE C C 13 177.260 0.03 . 1 . . . . 564 I C . 25674 1 750 . 1 1 227 227 ILE CA C 13 59.960 0.03 . 1 . . . . 564 I CA . 25674 1 751 . 1 1 227 227 ILE CB C 13 38.240 0.03 . 1 . . . . 564 I CB . 25674 1 752 . 1 1 227 227 ILE N N 15 118.730 0.04 . 1 . . . . 564 I N . 25674 1 753 . 1 1 228 228 GLN H H 1 8.445 0.004 . 1 . . . . 565 Q H . 25674 1 754 . 1 1 228 228 GLN C C 13 175.570 0.03 . 1 . . . . 565 Q C . 25674 1 755 . 1 1 228 228 GLN CA C 13 55.750 0.03 . 1 . . . . 565 Q CA . 25674 1 756 . 1 1 228 228 GLN CB C 13 29.700 0.03 . 1 . . . . 565 Q CB . 25674 1 757 . 1 1 228 228 GLN N N 15 127.870 0.04 . 1 . . . . 565 Q N . 25674 1 758 . 1 1 229 229 GLY H H 1 8.503 0.004 . 1 . . . . 566 G H . 25674 1 759 . 1 1 229 229 GLY C C 13 174.270 0.03 . 1 . . . . 566 G C . 25674 1 760 . 1 1 229 229 GLY CA C 13 45.250 0.03 . 1 . . . . 566 G CA . 25674 1 761 . 1 1 229 229 GLY N N 15 112.370 0.04 . 1 . . . . 566 G N . 25674 1 762 . 1 1 230 230 THR H H 1 7.937 0.004 . 1 . . . . 567 T H . 25674 1 763 . 1 1 230 230 THR CA C 13 61.780 0.03 . 1 . . . . 567 T CA . 25674 1 764 . 1 1 230 230 THR CB C 13 69.300 0.03 . 1 . . . . 567 T CB . 25674 1 765 . 1 1 230 230 THR N N 15 114.660 0.04 . 1 . . . . 567 T N . 25674 1 766 . 1 1 234 234 ALA C C 13 178.810 0.03 . 1 . . . . 571 A C . 25674 1 767 . 1 1 234 234 ALA CA C 13 53.530 0.03 . 1 . . . . 571 A CA . 25674 1 768 . 1 1 234 234 ALA CB C 13 17.930 0.03 . 1 . . . . 571 A CB . 25674 1 769 . 1 1 235 235 GLU H H 1 8.410 0.004 . 1 . . . . 572 E H . 25674 1 770 . 1 1 235 235 GLU C C 13 177.560 0.03 . 1 . . . . 572 E C . 25674 1 771 . 1 1 235 235 GLU CA C 13 57.460 0.03 . 1 . . . . 572 E CA . 25674 1 772 . 1 1 235 235 GLU CB C 13 28.850 0.03 . 1 . . . . 572 E CB . 25674 1 773 . 1 1 235 235 GLU N N 15 118.350 0.04 . 1 . . . . 572 E N . 25674 1 774 . 1 1 236 236 SER H H 1 7.964 0.004 . 1 . . . . 573 S H . 25674 1 775 . 1 1 236 236 SER C C 13 175.080 0.03 . 1 . . . . 573 S C . 25674 1 776 . 1 1 236 236 SER CA C 13 59.190 0.03 . 1 . . . . 573 S CA . 25674 1 777 . 1 1 236 236 SER CB C 13 62.930 0.03 . 1 . . . . 573 S CB . 25674 1 778 . 1 1 236 236 SER N N 15 116.330 0.04 . 1 . . . . 573 S N . 25674 1 779 . 1 1 237 237 LEU H H 1 8.204 0.004 . 1 . . . . 574 L H . 25674 1 780 . 1 1 237 237 LEU C C 13 177.680 0.03 . 1 . . . . 574 L C . 25674 1 781 . 1 1 237 237 LEU CA C 13 55.340 0.03 . 1 . . . . 574 L CA . 25674 1 782 . 1 1 237 237 LEU CB C 13 40.250 0.03 . 1 . . . . 574 L CB . 25674 1 783 . 1 1 237 237 LEU N N 15 124.510 0.04 . 1 . . . . 574 L N . 25674 1 784 . 1 1 238 238 VAL H H 1 7.672 0.004 . 1 . . . . 575 V H . 25674 1 785 . 1 1 238 238 VAL C C 13 178.400 0.03 . 1 . . . . 575 V C . 25674 1 786 . 1 1 238 238 VAL CA C 13 65.180 0.03 . 1 . . . . 575 V CA . 25674 1 787 . 1 1 238 238 VAL CB C 13 30.990 0.03 . 1 . . . . 575 V CB . 25674 1 788 . 1 1 238 238 VAL N N 15 119.980 0.04 . 1 . . . . 575 V N . 25674 1 789 . 1 1 239 239 ARG H H 1 8.339 0.004 . 1 . . . . 576 R H . 25674 1 790 . 1 1 239 239 ARG C C 13 178.400 0.03 . 1 . . . . 576 R C . 25674 1 791 . 1 1 239 239 ARG CA C 13 58.140 0.03 . 1 . . . . 576 R CA . 25674 1 792 . 1 1 239 239 ARG CB C 13 29.060 0.03 . 1 . . . . 576 R CB . 25674 1 793 . 1 1 239 239 ARG N N 15 120.750 0.04 . 1 . . . . 576 R N . 25674 1 794 . 1 1 240 240 ASN H H 1 8.089 0.004 . 1 . . . . 577 N H . 25674 1 795 . 1 1 240 240 ASN C C 13 176.800 0.03 . 1 . . . . 577 N C . 25674 1 796 . 1 1 240 240 ASN CA C 13 56.100 0.03 . 1 . . . . 577 N CA . 25674 1 797 . 1 1 240 240 ASN N N 15 120.600 0.04 . 1 . . . . 577 N N . 25674 1 798 . 1 1 241 241 LEU H H 1 8.089 0.004 . 1 . . . . 578 L H . 25674 1 799 . 1 1 241 241 LEU CA C 13 57.140 0.03 . 1 . . . . 578 L CA . 25674 1 800 . 1 1 241 241 LEU CB C 13 40.660 0.03 . 1 . . . . 578 L CB . 25674 1 801 . 1 1 241 241 LEU N N 15 120.790 0.04 . 1 . . . . 578 L N . 25674 1 802 . 1 1 242 242 GLN H H 1 7.904 0.004 . 1 . . . . 579 Q H . 25674 1 803 . 1 1 242 242 GLN C C 13 178.040 0.03 . 1 . . . . 579 Q C . 25674 1 804 . 1 1 242 242 GLN CA C 13 58.200 0.03 . 1 . . . . 579 Q CA . 25674 1 805 . 1 1 242 242 GLN CB C 13 27.500 0.03 . 1 . . . . 579 Q CB . 25674 1 806 . 1 1 242 242 GLN N N 15 118.440 0.04 . 1 . . . . 579 Q N . 25674 1 807 . 1 1 243 243 TRP H H 1 8.007 0.004 . 1 . . . . 580 W H . 25674 1 808 . 1 1 243 243 TRP C C 13 178.610 0.03 . 1 . . . . 580 W C . 25674 1 809 . 1 1 243 243 TRP CA C 13 60.320 0.03 . 1 . . . . 580 W CA . 25674 1 810 . 1 1 243 243 TRP N N 15 121.700 0.04 . 1 . . . . 580 W N . 25674 1 811 . 1 1 244 244 ALA H H 1 7.863 0.004 . 1 . . . . 581 A H . 25674 1 812 . 1 1 244 244 ALA C C 13 179.180 0.03 . 1 . . . . 581 A C . 25674 1 813 . 1 1 244 244 ALA CA C 13 53.750 0.03 . 1 . . . . 581 A CA . 25674 1 814 . 1 1 244 244 ALA CB C 13 17.880 0.03 . 1 . . . . 581 A CB . 25674 1 815 . 1 1 244 244 ALA N N 15 117.490 0.04 . 1 . . . . 581 A N . 25674 1 816 . 1 1 245 245 LYS H H 1 7.806 0.004 . 1 . . . . 582 K H . 25674 1 817 . 1 1 245 245 LYS C C 13 177.560 0.03 . 1 . . . . 582 K C . 25674 1 818 . 1 1 245 245 LYS CA C 13 56.420 0.03 . 1 . . . . 582 K CA . 25674 1 819 . 1 1 245 245 LYS CB C 13 31.300 0.03 . 1 . . . . 582 K CB . 25674 1 820 . 1 1 245 245 LYS N N 15 116.770 0.04 . 1 . . . . 582 K N . 25674 1 821 . 1 1 246 246 ALA H H 1 7.344 0.004 . 1 . . . . 583 A H . 25674 1 822 . 1 1 246 246 ALA C C 13 175.000 0.03 . 1 . . . . 583 A C . 25674 1 823 . 1 1 246 246 ALA CA C 13 53.240 0.03 . 1 . . . . 583 A CA . 25674 1 824 . 1 1 246 246 ALA CB C 13 17.620 0.03 . 1 . . . . 583 A CB . 25674 1 825 . 1 1 246 246 ALA N N 15 122.390 0.04 . 1 . . . . 583 A N . 25674 1 826 . 1 1 247 247 HIS C C 13 175.420 0.03 . 1 . . . . 584 H C . 25674 1 827 . 1 1 247 247 HIS CA C 13 54.900 0.03 . 1 . . . . 584 H CA . 25674 1 828 . 1 1 247 247 HIS CB C 13 30.800 0.03 . 1 . . . . 584 H CB . 25674 1 829 . 1 1 248 248 GLU H H 1 7.412 0.004 . 1 . . . . 585 E H . 25674 1 830 . 1 1 248 248 GLU C C 13 175.730 0.03 . 1 . . . . 585 E C . 25674 1 831 . 1 1 248 248 GLU CA C 13 56.110 0.03 . 1 . . . . 585 E CA . 25674 1 832 . 1 1 248 248 GLU CB C 13 29.570 0.03 . 1 . . . . 585 E CB . 25674 1 833 . 1 1 248 248 GLU N N 15 120.780 0.04 . 1 . . . . 585 E N . 25674 1 834 . 1 1 249 249 LEU H H 1 8.365 0.004 . 1 . . . . 586 L H . 25674 1 835 . 1 1 249 249 LEU C C 13 174.900 0.03 . 1 . . . . 586 L C . 25674 1 836 . 1 1 249 249 LEU CA C 13 52.270 0.03 . 1 . . . . 586 L CA . 25674 1 837 . 1 1 249 249 LEU CB C 13 42.080 0.03 . 1 . . . . 586 L CB . 25674 1 838 . 1 1 249 249 LEU N N 15 127.350 0.04 . 1 . . . . 586 L N . 25674 1 839 . 1 1 250 250 PRO C C 13 175.600 0.03 . 1 . . . . 587 P C . 25674 1 840 . 1 1 250 250 PRO CA C 13 61.740 0.03 . 1 . . . . 587 P CA . 25674 1 841 . 1 1 250 250 PRO CB C 13 29.580 0.03 . 1 . . . . 587 P CB . 25674 1 842 . 1 1 251 251 GLU H H 1 8.088 0.004 . 1 . . . . 588 E H . 25674 1 843 . 1 1 251 251 GLU C C 13 176.600 0.03 . 1 . . . . 588 E C . 25674 1 844 . 1 1 251 251 GLU CA C 13 55.830 0.03 . 1 . . . . 588 E CA . 25674 1 845 . 1 1 251 251 GLU CB C 13 29.590 0.03 . 1 . . . . 588 E CB . 25674 1 846 . 1 1 251 251 GLU N N 15 121.280 0.04 . 1 . . . . 588 E N . 25674 1 847 . 1 1 252 252 SER H H 1 8.406 0.004 . 1 . . . . 589 S H . 25674 1 848 . 1 1 252 252 SER C C 13 174.260 0.03 . 1 . . . . 589 S C . 25674 1 849 . 1 1 252 252 SER CA C 13 59.080 0.03 . 1 . . . . 589 S CA . 25674 1 850 . 1 1 252 252 SER CB C 13 63.300 0.03 . 1 . . . . 589 S CB . 25674 1 851 . 1 1 252 252 SER N N 15 116.050 0.04 . 1 . . . . 589 S N . 25674 1 852 . 1 1 253 253 MET H H 1 8.824 0.004 . 1 . . . . 590 M H . 25674 1 853 . 1 1 253 253 MET C C 13 173.790 0.03 . 1 . . . . 590 M C . 25674 1 854 . 1 1 253 253 MET CA C 13 54.340 0.03 . 1 . . . . 590 M CA . 25674 1 855 . 1 1 253 253 MET CB C 13 36.870 0.03 . 1 . . . . 590 M CB . 25674 1 856 . 1 1 253 253 MET N N 15 121.230 0.04 . 1 . . . . 590 M N . 25674 1 857 . 1 1 254 254 CYS H H 1 8.712 0.004 . 1 . . . . 591 C H . 25674 1 858 . 1 1 254 254 CYS C C 13 174.240 0.03 . 1 . . . . 591 C C . 25674 1 859 . 1 1 254 254 CYS CA C 13 56.930 0.03 . 1 . . . . 591 C CA . 25674 1 860 . 1 1 254 254 CYS CB C 13 27.210 0.03 . 1 . . . . 591 C CB . 25674 1 861 . 1 1 254 254 CYS N N 15 122.970 0.04 . 1 . . . . 591 C N . 25674 1 862 . 1 1 255 255 LEU H H 1 9.394 0.004 . 1 . . . . 592 L H . 25674 1 863 . 1 1 255 255 LEU C C 13 175.280 0.03 . 1 . . . . 592 L C . 25674 1 864 . 1 1 255 255 LEU CA C 13 53.640 0.03 . 1 . . . . 592 L CA . 25674 1 865 . 1 1 255 255 LEU CB C 13 42.730 0.03 . 1 . . . . 592 L CB . 25674 1 866 . 1 1 255 255 LEU N N 15 129.430 0.04 . 1 . . . . 592 L N . 25674 1 867 . 1 1 256 256 LYS H H 1 8.630 0.004 . 1 . . . . 593 K H . 25674 1 868 . 1 1 256 256 LYS C C 13 175.970 0.03 . 1 . . . . 593 K C . 25674 1 869 . 1 1 256 256 LYS CA C 13 54.820 0.03 . 1 . . . . 593 K CA . 25674 1 870 . 1 1 256 256 LYS CB C 13 32.680 0.03 . 1 . . . . 593 K CB . 25674 1 871 . 1 1 256 256 LYS N N 15 123.460 0.04 . 1 . . . . 593 K N . 25674 1 872 . 1 1 257 257 PHE H H 1 8.610 0.004 . 1 . . . . 594 F H . 25674 1 873 . 1 1 257 257 PHE C C 13 178.320 0.03 . 1 . . . . 594 F C . 25674 1 874 . 1 1 257 257 PHE CA C 13 56.710 0.03 . 1 . . . . 594 F CA . 25674 1 875 . 1 1 257 257 PHE CB C 13 40.660 0.03 . 1 . . . . 594 F CB . 25674 1 876 . 1 1 257 257 PHE N N 15 124.950 0.04 . 1 . . . . 594 F N . 25674 1 877 . 1 1 258 258 ASP H H 1 9.676 0.004 . 1 . . . . 595 D H . 25674 1 878 . 1 1 258 258 ASP C C 13 177.700 0.03 . 1 . . . . 595 D C . 25674 1 879 . 1 1 258 258 ASP CA C 13 57.590 0.03 . 1 . . . . 595 D CA . 25674 1 880 . 1 1 258 258 ASP CB C 13 39.710 0.03 . 1 . . . . 595 D CB . 25674 1 881 . 1 1 258 258 ASP N N 15 126.040 0.04 . 1 . . . . 595 D N . 25674 1 882 . 1 1 259 259 CYS C C 13 174.720 0.03 . 1 . . . . 596 C C . 25674 1 883 . 1 1 259 259 CYS CA C 13 57.510 0.03 . 1 . . . . 596 C CA . 25674 1 884 . 1 1 259 259 CYS CB C 13 27.740 0.03 . 1 . . . . 596 C CB . 25674 1 885 . 1 1 260 260 GLY H H 1 8.355 0.004 . 1 . . . . 597 G H . 25674 1 886 . 1 1 260 260 GLY C C 13 174.190 0.03 . 1 . . . . 597 G C . 25674 1 887 . 1 1 260 260 GLY CA C 13 44.390 0.03 . 1 . . . . 597 G CA . 25674 1 888 . 1 1 260 260 GLY N N 15 110.260 0.04 . 1 . . . . 597 G N . 25674 1 889 . 1 1 261 261 VAL H H 1 6.822 0.004 . 1 . . . . 598 V H . 25674 1 890 . 1 1 261 261 VAL C C 13 174.680 0.03 . 1 . . . . 598 V C . 25674 1 891 . 1 1 261 261 VAL CA C 13 62.410 0.03 . 1 . . . . 598 V CA . 25674 1 892 . 1 1 261 261 VAL CB C 13 31.930 0.03 . 1 . . . . 598 V CB . 25674 1 893 . 1 1 261 261 VAL N N 15 120.670 0.04 . 1 . . . . 598 V N . 25674 1 894 . 1 1 262 262 GLN H H 1 8.679 0.004 . 1 . . . . 599 Q H . 25674 1 895 . 1 1 262 262 GLN C C 13 175.470 0.03 . 1 . . . . 599 Q C . 25674 1 896 . 1 1 262 262 GLN CA C 13 53.690 0.03 . 1 . . . . 599 Q CA . 25674 1 897 . 1 1 262 262 GLN CB C 13 30.820 0.03 . 1 . . . . 599 Q CB . 25674 1 898 . 1 1 262 262 GLN N N 15 124.870 0.04 . 1 . . . . 599 Q N . 25674 1 899 . 1 1 263 263 ILE H H 1 9.147 0.004 . 1 . . . . 600 I H . 25674 1 900 . 1 1 263 263 ILE C C 13 174.120 0.03 . 1 . . . . 600 I C . 25674 1 901 . 1 1 263 263 ILE CA C 13 57.490 0.03 . 1 . . . . 600 I CA . 25674 1 902 . 1 1 263 263 ILE CB C 13 40.290 0.03 . 1 . . . . 600 I CB . 25674 1 903 . 1 1 263 263 ILE N N 15 123.400 0.04 . 1 . . . . 600 I N . 25674 1 904 . 1 1 264 264 GLN H H 1 9.310 0.004 . 1 . . . . 601 Q H . 25674 1 905 . 1 1 264 264 GLN C C 13 174.060 0.03 . 1 . . . . 601 Q C . 25674 1 906 . 1 1 264 264 GLN CA C 13 54.160 0.03 . 1 . . . . 601 Q CA . 25674 1 907 . 1 1 264 264 GLN CB C 13 30.180 0.03 . 1 . . . . 601 Q CB . 25674 1 908 . 1 1 264 264 GLN N N 15 127.040 0.04 . 1 . . . . 601 Q N . 25674 1 909 . 1 1 265 265 LEU H H 1 8.939 0.004 . 1 . . . . 602 L H . 25674 1 910 . 1 1 265 265 LEU C C 13 174.430 0.03 . 1 . . . . 602 L C . 25674 1 911 . 1 1 265 265 LEU CA C 13 53.130 0.03 . 1 . . . . 602 L CA . 25674 1 912 . 1 1 265 265 LEU CB C 13 43.910 0.03 . 1 . . . . 602 L CB . 25674 1 913 . 1 1 265 265 LEU N N 15 129.380 0.04 . 1 . . . . 602 L N . 25674 1 914 . 1 1 266 266 GLY H H 1 8.045 0.004 . 1 . . . . 603 G H . 25674 1 915 . 1 1 266 266 GLY C C 13 170.360 0.03 . 1 . . . . 603 G C . 25674 1 916 . 1 1 266 266 GLY CA C 13 42.030 0.03 . 1 . . . . 603 G CA . 25674 1 917 . 1 1 266 266 GLY N N 15 111.590 0.04 . 1 . . . . 603 G N . 25674 1 918 . 1 1 267 267 PHE H H 1 7.761 0.004 . 1 . . . . 604 F H . 25674 1 919 . 1 1 267 267 PHE C C 13 175.130 0.03 . 1 . . . . 604 F C . 25674 1 920 . 1 1 267 267 PHE CA C 13 55.560 0.03 . 1 . . . . 604 F CA . 25674 1 921 . 1 1 267 267 PHE CB C 13 43.720 0.03 . 1 . . . . 604 F CB . 25674 1 922 . 1 1 267 267 PHE N N 15 113.640 0.04 . 1 . . . . 604 F N . 25674 1 923 . 1 1 268 268 ALA H H 1 9.361 0.004 . 1 . . . . 605 A H . 25674 1 924 . 1 1 268 268 ALA C C 13 175.290 0.03 . 1 . . . . 605 A C . 25674 1 925 . 1 1 268 268 ALA CA C 13 50.790 0.03 . 1 . . . . 605 A CA . 25674 1 926 . 1 1 268 268 ALA CB C 13 22.660 0.03 . 1 . . . . 605 A CB . 25674 1 927 . 1 1 268 268 ALA N N 15 124.170 0.04 . 1 . . . . 605 A N . 25674 1 928 . 1 1 269 269 ALA H H 1 9.206 0.004 . 1 . . . . 606 A H . 25674 1 929 . 1 1 269 269 ALA C C 13 176.300 0.03 . 1 . . . . 606 A C . 25674 1 930 . 1 1 269 269 ALA CA C 13 51.290 0.03 . 1 . . . . 606 A CA . 25674 1 931 . 1 1 269 269 ALA CB C 13 20.840 0.03 . 1 . . . . 606 A CB . 25674 1 932 . 1 1 269 269 ALA N N 15 123.780 0.04 . 1 . . . . 606 A N . 25674 1 933 . 1 1 278 278 TYR C C 13 174.360 0.03 . 1 . . . . 615 Y C . 25674 1 934 . 1 1 278 278 TYR CA C 13 53.380 0.03 . 1 . . . . 615 Y CA . 25674 1 935 . 1 1 278 278 TYR CB C 13 40.700 0.03 . 1 . . . . 615 Y CB . 25674 1 936 . 1 1 279 279 THR H H 1 8.497 0.004 . 1 . . . . 616 T H . 25674 1 937 . 1 1 279 279 THR C C 13 174.260 0.03 . 1 . . . . 616 T C . 25674 1 938 . 1 1 279 279 THR CA C 13 58.560 0.03 . 1 . . . . 616 T CA . 25674 1 939 . 1 1 279 279 THR CB C 13 70.870 0.03 . 1 . . . . 616 T CB . 25674 1 940 . 1 1 279 279 THR N N 15 110.860 0.04 . 1 . . . . 616 T N . 25674 1 941 . 1 1 280 280 SER H H 1 8.381 0.004 . 1 . . . . 617 S H . 25674 1 942 . 1 1 280 280 SER C C 13 173.630 0.03 . 1 . . . . 617 S C . 25674 1 943 . 1 1 280 280 SER CA C 13 56.590 0.03 . 1 . . . . 617 S CA . 25674 1 944 . 1 1 280 280 SER CB C 13 65.180 0.03 . 1 . . . . 617 S CB . 25674 1 945 . 1 1 280 280 SER N N 15 113.050 0.04 . 1 . . . . 617 S N . 25674 1 946 . 1 1 281 281 ILE H H 1 8.894 0.004 . 1 . . . . 618 I H . 25674 1 947 . 1 1 281 281 ILE C C 13 176.510 0.03 . 1 . . . . 618 I C . 25674 1 948 . 1 1 281 281 ILE CA C 13 60.960 0.03 . 1 . . . . 618 I CA . 25674 1 949 . 1 1 281 281 ILE CB C 13 35.810 0.03 . 1 . . . . 618 I CB . 25674 1 950 . 1 1 281 281 ILE N N 15 124.960 0.04 . 1 . . . . 618 I N . 25674 1 951 . 1 1 282 282 VAL H H 1 8.402 0.004 . 1 . . . . 619 V H . 25674 1 952 . 1 1 282 282 VAL C C 13 176.260 0.03 . 1 . . . . 619 V C . 25674 1 953 . 1 1 282 282 VAL CA C 13 62.410 0.03 . 1 . . . . 619 V CA . 25674 1 954 . 1 1 282 282 VAL CB C 13 32.080 0.03 . 1 . . . . 619 V CB . 25674 1 955 . 1 1 282 282 VAL N N 15 126.230 0.04 . 1 . . . . 619 V N . 25674 1 956 . 1 1 283 283 TYR H H 1 7.617 0.004 . 1 . . . . 620 Y H . 25674 1 957 . 1 1 283 283 TYR C C 13 172.250 0.03 . 1 . . . . 620 Y C . 25674 1 958 . 1 1 283 283 TYR CA C 13 58.740 0.03 . 1 . . . . 620 Y CA . 25674 1 959 . 1 1 283 283 TYR CB C 13 41.220 0.03 . 1 . . . . 620 Y CB . 25674 1 960 . 1 1 283 283 TYR N N 15 120.000 0.04 . 1 . . . . 620 Y N . 25674 1 961 . 1 1 284 284 LYS H H 1 7.541 0.004 . 1 . . . . 621 K H . 25674 1 962 . 1 1 284 284 LYS C C 13 171.500 0.03 . 1 . . . . 621 K C . 25674 1 963 . 1 1 284 284 LYS CA C 13 51.710 0.03 . 1 . . . . 621 K CA . 25674 1 964 . 1 1 284 284 LYS CB C 13 32.760 0.03 . 1 . . . . 621 K CB . 25674 1 965 . 1 1 284 284 LYS N N 15 127.420 0.04 . 1 . . . . 621 K N . 25674 1 966 . 1 1 286 286 PRO C C 13 177.740 0.03 . 1 . . . . 623 P C . 25674 1 967 . 1 1 286 286 PRO CA C 13 64.390 0.03 . 1 . . . . 623 P CA . 25674 1 968 . 1 1 286 286 PRO CB C 13 31.010 0.03 . 1 . . . . 623 P CB . 25674 1 969 . 1 1 287 287 GLU H H 1 9.257 0.004 . 1 . . . . 624 E H . 25674 1 970 . 1 1 287 287 GLU C C 13 175.670 0.03 . 1 . . . . 624 E C . 25674 1 971 . 1 1 287 287 GLU CA C 13 57.870 0.03 . 1 . . . . 624 E CA . 25674 1 972 . 1 1 287 287 GLU CB C 13 27.650 0.03 . 1 . . . . 624 E CB . 25674 1 973 . 1 1 287 287 GLU N N 15 115.870 0.04 . 1 . . . . 624 E N . 25674 1 974 . 1 1 288 288 ILE H H 1 7.586 0.004 . 1 . . . . 625 I H . 25674 1 975 . 1 1 288 288 ILE C C 13 174.740 0.03 . 1 . . . . 625 I C . 25674 1 976 . 1 1 288 288 ILE CA C 13 60.140 0.03 . 1 . . . . 625 I CA . 25674 1 977 . 1 1 288 288 ILE CB C 13 36.270 0.03 . 1 . . . . 625 I CB . 25674 1 978 . 1 1 288 288 ILE N N 15 121.770 0.04 . 1 . . . . 625 I N . 25674 1 979 . 1 1 289 289 ILE H H 1 8.167 0.004 . 1 . . . . 626 I H . 25674 1 980 . 1 1 289 289 ILE C C 13 175.800 0.03 . 1 . . . . 626 I C . 25674 1 981 . 1 1 289 289 ILE CA C 13 61.010 0.03 . 1 . . . . 626 I CA . 25674 1 982 . 1 1 289 289 ILE CB C 13 38.030 0.03 . 1 . . . . 626 I CB . 25674 1 983 . 1 1 289 289 ILE N N 15 124.220 0.04 . 1 . . . . 626 I N . 25674 1 984 . 1 1 290 290 MET H H 1 7.348 0.004 . 1 . . . . 627 M H . 25674 1 985 . 1 1 290 290 MET C C 13 174.180 0.03 . 1 . . . . 627 M C . 25674 1 986 . 1 1 290 290 MET CA C 13 54.530 0.03 . 1 . . . . 627 M CA . 25674 1 987 . 1 1 290 290 MET CB C 13 34.060 0.03 . 1 . . . . 627 M CB . 25674 1 988 . 1 1 290 290 MET N N 15 120.810 0.04 . 1 . . . . 627 M N . 25674 1 989 . 1 1 291 291 CYS H H 1 8.514 0.004 . 1 . . . . 628 C H . 25674 1 990 . 1 1 291 291 CYS C C 13 171.360 0.03 . 1 . . . . 628 C C . 25674 1 991 . 1 1 291 291 CYS CA C 13 57.440 0.03 . 1 . . . . 628 C CA . 25674 1 992 . 1 1 291 291 CYS CB C 13 31.500 0.03 . 1 . . . . 628 C CB . 25674 1 993 . 1 1 291 291 CYS N N 15 121.170 0.04 . 1 . . . . 628 C N . 25674 1 994 . 1 1 292 292 ASP H H 1 8.970 0.004 . 1 . . . . 629 D H . 25674 1 995 . 1 1 292 292 ASP C C 13 173.020 0.03 . 1 . . . . 629 D C . 25674 1 996 . 1 1 292 292 ASP CA C 13 53.620 0.03 . 1 . . . . 629 D CA . 25674 1 997 . 1 1 292 292 ASP CB C 13 44.580 0.03 . 1 . . . . 629 D CB . 25674 1 998 . 1 1 292 292 ASP N N 15 125.110 0.04 . 1 . . . . 629 D N . 25674 1 999 . 1 1 293 293 ALA H H 1 8.389 0.004 . 1 . . . . 630 A H . 25674 1 1000 . 1 1 293 293 ALA C C 13 175.710 0.03 . 1 . . . . 630 A C . 25674 1 1001 . 1 1 293 293 ALA CA C 13 49.480 0.03 . 1 . . . . 630 A CA . 25674 1 1002 . 1 1 293 293 ALA CB C 13 20.940 0.03 . 1 . . . . 630 A CB . 25674 1 1003 . 1 1 293 293 ALA N N 15 124.250 0.04 . 1 . . . . 630 A N . 25674 1 1004 . 1 1 294 294 TYR H H 1 8.491 0.004 . 1 . . . . 631 Y H . 25674 1 1005 . 1 1 294 294 TYR C C 13 174.040 0.03 . 1 . . . . 631 Y C . 25674 1 1006 . 1 1 294 294 TYR CA C 13 55.520 0.03 . 1 . . . . 631 Y CA . 25674 1 1007 . 1 1 294 294 TYR CB C 13 39.250 0.03 . 1 . . . . 631 Y CB . 25674 1 1008 . 1 1 294 294 TYR N N 15 118.810 0.04 . 1 . . . . 631 Y N . 25674 1 1009 . 1 1 295 295 VAL H H 1 9.120 0.004 . 1 . . . . 632 V H . 25674 1 1010 . 1 1 295 295 VAL C C 13 176.650 0.03 . 1 . . . . 632 V C . 25674 1 1011 . 1 1 295 295 VAL CA C 13 59.200 0.03 . 1 . . . . 632 V CA . 25674 1 1012 . 1 1 295 295 VAL CB C 13 32.460 0.03 . 1 . . . . 632 V CB . 25674 1 1013 . 1 1 295 295 VAL N N 15 115.090 0.04 . 1 . . . . 632 V N . 25674 1 1014 . 1 1 296 296 THR H H 1 9.005 0.004 . 1 . . . . 633 T H . 25674 1 1015 . 1 1 296 296 THR C C 13 171.370 0.03 . 1 . . . . 633 T C . 25674 1 1016 . 1 1 296 296 THR CA C 13 59.530 0.03 . 1 . . . . 633 T CA . 25674 1 1017 . 1 1 296 296 THR CB C 13 69.970 0.03 . 1 . . . . 633 T CB . 25674 1 1018 . 1 1 296 296 THR N N 15 117.020 0.04 . 1 . . . . 633 T N . 25674 1 1019 . 1 1 297 297 ASP H H 1 8.418 0.004 . 1 . . . . 634 D H . 25674 1 1020 . 1 1 297 297 ASP C C 13 174.870 0.03 . 1 . . . . 634 D C . 25674 1 1021 . 1 1 297 297 ASP CA C 13 55.070 0.03 . 1 . . . . 634 D CA . 25674 1 1022 . 1 1 297 297 ASP CB C 13 38.100 0.03 . 1 . . . . 634 D CB . 25674 1 1023 . 1 1 297 297 ASP N N 15 117.420 0.04 . 1 . . . . 634 D N . 25674 1 1024 . 1 1 298 298 PHE H H 1 7.801 0.004 . 1 . . . . 635 F H . 25674 1 1025 . 1 1 298 298 PHE C C 13 174.300 0.03 . 1 . . . . 635 F C . 25674 1 1026 . 1 1 298 298 PHE CA C 13 57.690 0.03 . 1 . . . . 635 F CA . 25674 1 1027 . 1 1 298 298 PHE CB C 13 37.690 0.03 . 1 . . . . 635 F CB . 25674 1 1028 . 1 1 298 298 PHE N N 15 116.000 0.04 . 1 . . . . 635 F N . 25674 1 1029 . 1 1 299 299 PRO C C 13 178.850 0.03 . 1 . . . . 636 P C . 25674 1 1030 . 1 1 299 299 PRO CA C 13 63.230 0.03 . 1 . . . . 636 P CA . 25674 1 1031 . 1 1 299 299 PRO CB C 13 31.430 0.03 . 1 . . . . 636 P CB . 25674 1 1032 . 1 1 300 300 LEU H H 1 8.882 0.004 . 1 . . . . 637 L H . 25674 1 1033 . 1 1 300 300 LEU C C 13 179.590 0.03 . 1 . . . . 637 L C . 25674 1 1034 . 1 1 300 300 LEU CA C 13 57.540 0.03 . 1 . . . . 637 L CA . 25674 1 1035 . 1 1 300 300 LEU CB C 13 40.570 0.03 . 1 . . . . 637 L CB . 25674 1 1036 . 1 1 300 300 LEU N N 15 127.800 0.04 . 1 . . . . 637 L N . 25674 1 1037 . 1 1 301 301 ASP H H 1 8.532 0.004 . 1 . . . . 638 D H . 25674 1 1038 . 1 1 301 301 ASP C C 13 176.740 0.03 . 1 . . . . 638 D C . 25674 1 1039 . 1 1 301 301 ASP CA C 13 55.920 0.03 . 1 . . . . 638 D CA . 25674 1 1040 . 1 1 301 301 ASP CB C 13 40.890 0.03 . 1 . . . . 638 D CB . 25674 1 1041 . 1 1 301 301 ASP N N 15 116.190 0.04 . 1 . . . . 638 D N . 25674 1 1042 . 1 1 302 302 LEU H H 1 7.292 0.004 . 1 . . . . 639 L H . 25674 1 1043 . 1 1 302 302 LEU C C 13 176.280 0.03 . 1 . . . . 639 L C . 25674 1 1044 . 1 1 302 302 LEU CA C 13 54.670 0.03 . 1 . . . . 639 L CA . 25674 1 1045 . 1 1 302 302 LEU CB C 13 40.680 0.03 . 1 . . . . 639 L CB . 25674 1 1046 . 1 1 302 302 LEU N N 15 113.030 0.04 . 1 . . . . 639 L N . 25674 1 1047 . 1 1 303 303 ASP H H 1 7.783 0.004 . 1 . . . . 640 D H . 25674 1 1048 . 1 1 303 303 ASP C C 13 174.510 0.03 . 1 . . . . 640 D C . 25674 1 1049 . 1 1 303 303 ASP CA C 13 54.410 0.03 . 1 . . . . 640 D CA . 25674 1 1050 . 1 1 303 303 ASP CB C 13 39.420 0.03 . 1 . . . . 640 D CB . 25674 1 1051 . 1 1 303 303 ASP N N 15 118.970 0.04 . 1 . . . . 640 D N . 25674 1 1052 . 1 1 304 304 ILE H H 1 8.409 0.004 . 1 . . . . 641 I H . 25674 1 1053 . 1 1 304 304 ILE C C 13 175.930 0.03 . 1 . . . . 641 I C . 25674 1 1054 . 1 1 304 304 ILE CA C 13 58.650 0.03 . 1 . . . . 641 I CA . 25674 1 1055 . 1 1 304 304 ILE CB C 13 36.430 0.03 . 1 . . . . 641 I CB . 25674 1 1056 . 1 1 304 304 ILE N N 15 119.460 0.04 . 1 . . . . 641 I N . 25674 1 1057 . 1 1 305 305 ASP H H 1 8.994 0.004 . 1 . . . . 642 D H . 25674 1 1058 . 1 1 305 305 ASP CA C 13 50.570 0.03 . 1 . . . . 642 D CA . 25674 1 1059 . 1 1 305 305 ASP CB C 13 42.040 0.03 . 1 . . . . 642 D CB . 25674 1 1060 . 1 1 305 305 ASP N N 15 132.460 0.04 . 1 . . . . 642 D N . 25674 1 1061 . 1 1 306 306 PRO C C 13 179.030 0.03 . 1 . . . . 643 P C . 25674 1 1062 . 1 1 306 306 PRO CA C 13 64.550 0.03 . 1 . . . . 643 P CA . 25674 1 1063 . 1 1 306 306 PRO CB C 13 31.400 0.03 . 1 . . . . 643 P CB . 25674 1 1064 . 1 1 307 307 LYS H H 1 8.724 0.004 . 1 . . . . 644 K H . 25674 1 1065 . 1 1 307 307 LYS C C 13 176.860 0.03 . 1 . . . . 644 K C . 25674 1 1066 . 1 1 307 307 LYS CA C 13 58.110 0.03 . 1 . . . . 644 K CA . 25674 1 1067 . 1 1 307 307 LYS CB C 13 30.480 0.03 . 1 . . . . 644 K CB . 25674 1 1068 . 1 1 307 307 LYS N N 15 118.090 0.04 . 1 . . . . 644 K N . 25674 1 1069 . 1 1 308 308 ASP H H 1 8.221 0.004 . 1 . . . . 645 D H . 25674 1 1070 . 1 1 308 308 ASP C C 13 175.210 0.03 . 1 . . . . 645 D C . 25674 1 1071 . 1 1 308 308 ASP CA C 13 54.310 0.03 . 1 . . . . 645 D CA . 25674 1 1072 . 1 1 308 308 ASP CB C 13 41.040 0.03 . 1 . . . . 645 D CB . 25674 1 1073 . 1 1 308 308 ASP N N 15 118.200 0.04 . 1 . . . . 645 D N . 25674 1 1074 . 1 1 309 309 ALA H H 1 7.275 0.004 . 1 . . . . 646 A H . 25674 1 1075 . 1 1 309 309 ALA C C 13 175.320 0.03 . 1 . . . . 646 A C . 25674 1 1076 . 1 1 309 309 ALA CA C 13 50.370 0.03 . 1 . . . . 646 A CA . 25674 1 1077 . 1 1 309 309 ALA CB C 13 21.660 0.03 . 1 . . . . 646 A CB . 25674 1 1078 . 1 1 309 309 ALA N N 15 122.690 0.04 . 1 . . . . 646 A N . 25674 1 1079 . 1 1 310 310 ASN H H 1 8.553 0.004 . 1 . . . . 647 N H . 25674 1 1080 . 1 1 310 310 ASN C C 13 174.370 0.03 . 1 . . . . 647 N C . 25674 1 1081 . 1 1 310 310 ASN CA C 13 54.670 0.03 . 1 . . . . 647 N CA . 25674 1 1082 . 1 1 310 310 ASN CB C 13 37.210 0.03 . 1 . . . . 647 N CB . 25674 1 1083 . 1 1 310 310 ASN N N 15 114.650 0.04 . 1 . . . . 647 N N . 25674 1 1084 . 1 1 311 311 LYS H H 1 8.974 0.004 . 1 . . . . 648 K H . 25674 1 1085 . 1 1 311 311 LYS C C 13 178.700 0.03 . 1 . . . . 648 K C . 25674 1 1086 . 1 1 311 311 LYS CA C 13 52.400 0.03 . 1 . . . . 648 K CA . 25674 1 1087 . 1 1 311 311 LYS CB C 13 33.560 0.03 . 1 . . . . 648 K CB . 25674 1 1088 . 1 1 311 311 LYS N N 15 116.870 0.04 . 1 . . . . 648 K N . 25674 1 1089 . 1 1 312 312 GLY H H 1 9.342 0.004 . 1 . . . . 649 G H . 25674 1 1090 . 1 1 312 312 GLY C C 13 174.040 0.03 . 1 . . . . 649 G C . 25674 1 1091 . 1 1 312 312 GLY CA C 13 45.660 0.03 . 1 . . . . 649 G CA . 25674 1 1092 . 1 1 312 312 GLY N N 15 106.580 0.04 . 1 . . . . 649 G N . 25674 1 1093 . 1 1 313 313 THR H H 1 7.298 0.004 . 1 . . . . 650 T H . 25674 1 1094 . 1 1 313 313 THR C C 13 172.800 0.03 . 1 . . . . 650 T C . 25674 1 1095 . 1 1 313 313 THR CA C 13 58.390 0.03 . 1 . . . . 650 T CA . 25674 1 1096 . 1 1 313 313 THR CB C 13 70.760 0.03 . 1 . . . . 650 T CB . 25674 1 1097 . 1 1 313 313 THR N N 15 108.330 0.04 . 1 . . . . 650 T N . 25674 1 1098 . 1 1 314 314 PRO C C 13 180.920 0.03 . 1 . . . . 651 P C . 25674 1 1099 . 1 1 314 314 PRO CA C 13 63.630 0.03 . 1 . . . . 651 P CA . 25674 1 1100 . 1 1 314 314 PRO CB C 13 29.240 0.03 . 1 . . . . 651 P CB . 25674 1 1101 . 1 1 315 315 GLU H H 1 9.975 0.004 . 1 . . . . 652 E H . 25674 1 1102 . 1 1 315 315 GLU C C 13 180.040 0.03 . 1 . . . . 652 E C . 25674 1 1103 . 1 1 315 315 GLU CA C 13 60.960 0.03 . 1 . . . . 652 E CA . 25674 1 1104 . 1 1 315 315 GLU CB C 13 26.900 0.03 . 1 . . . . 652 E CB . 25674 1 1105 . 1 1 315 315 GLU N N 15 123.570 0.04 . 1 . . . . 652 E N . 25674 1 1106 . 1 1 316 316 GLU H H 1 7.342 0.004 . 1 . . . . 653 E H . 25674 1 1107 . 1 1 316 316 GLU C C 13 177.540 0.03 . 1 . . . . 653 E C . 25674 1 1108 . 1 1 316 316 GLU CA C 13 58.440 0.03 . 1 . . . . 653 E CA . 25674 1 1109 . 1 1 316 316 GLU CB C 13 30.930 0.03 . 1 . . . . 653 E CB . 25674 1 1110 . 1 1 316 316 GLU N N 15 118.500 0.04 . 1 . . . . 653 E N . 25674 1 1111 . 1 1 317 317 THR H H 1 7.502 0.004 . 1 . . . . 654 T H . 25674 1 1112 . 1 1 317 317 THR C C 13 174.310 0.03 . 1 . . . . 654 T C . 25674 1 1113 . 1 1 317 317 THR CA C 13 61.280 0.03 . 1 . . . . 654 T CA . 25674 1 1114 . 1 1 317 317 THR CB C 13 70.300 0.03 . 1 . . . . 654 T CB . 25674 1 1115 . 1 1 317 317 THR N N 15 108.790 0.04 . 1 . . . . 654 T N . 25674 1 1116 . 1 1 318 318 GLY H H 1 7.624 0.004 . 1 . . . . 655 G H . 25674 1 1117 . 1 1 318 318 GLY C C 13 173.740 0.03 . 1 . . . . 655 G C . 25674 1 1118 . 1 1 318 318 GLY CA C 13 44.150 0.03 . 1 . . . . 655 G CA . 25674 1 1119 . 1 1 318 318 GLY N N 15 107.630 0.04 . 1 . . . . 655 G N . 25674 1 1120 . 1 1 319 319 SER H H 1 6.782 0.004 . 1 . . . . 656 S H . 25674 1 1121 . 1 1 319 319 SER C C 13 172.690 0.03 . 1 . . . . 656 S C . 25674 1 1122 . 1 1 319 319 SER CA C 13 55.540 0.03 . 1 . . . . 656 S CA . 25674 1 1123 . 1 1 319 319 SER CB C 13 61.750 0.03 . 1 . . . . 656 S CB . 25674 1 1124 . 1 1 319 319 SER N N 15 115.580 0.04 . 1 . . . . 656 S N . 25674 1 1125 . 1 1 320 320 TYR H H 1 9.418 0.004 . 1 . . . . 657 Y H . 25674 1 1126 . 1 1 320 320 TYR C C 13 177.140 0.03 . 1 . . . . 657 Y C . 25674 1 1127 . 1 1 320 320 TYR CA C 13 57.490 0.03 . 1 . . . . 657 Y CA . 25674 1 1128 . 1 1 320 320 TYR CB C 13 40.130 0.03 . 1 . . . . 657 Y CB . 25674 1 1129 . 1 1 320 320 TYR N N 15 123.690 0.04 . 1 . . . . 657 Y N . 25674 1 1130 . 1 1 321 321 LEU H H 1 7.878 0.004 . 1 . . . . 658 L H . 25674 1 1131 . 1 1 321 321 LEU C C 13 178.030 0.03 . 1 . . . . 658 L C . 25674 1 1132 . 1 1 321 321 LEU CA C 13 56.010 0.03 . 1 . . . . 658 L CA . 25674 1 1133 . 1 1 321 321 LEU CB C 13 40.690 0.03 . 1 . . . . 658 L CB . 25674 1 1134 . 1 1 321 321 LEU N N 15 120.090 0.04 . 1 . . . . 658 L N . 25674 1 1135 . 1 1 322 322 VAL H H 1 8.400 0.004 . 1 . . . . 659 V H . 25674 1 1136 . 1 1 322 322 VAL C C 13 176.600 0.03 . 1 . . . . 659 V C . 25674 1 1137 . 1 1 322 322 VAL CA C 13 60.140 0.03 . 1 . . . . 659 V CA . 25674 1 1138 . 1 1 322 322 VAL CB C 13 31.630 0.03 . 1 . . . . 659 V CB . 25674 1 1139 . 1 1 322 322 VAL N N 15 113.950 0.04 . 1 . . . . 659 V N . 25674 1 1140 . 1 1 323 323 SER C C 13 176.100 0.03 . 1 . . . . 660 S C . 25674 1 1141 . 1 1 323 323 SER CA C 13 60.540 0.03 . 1 . . . . 660 S CA . 25674 1 1142 . 1 1 324 324 LYS H H 1 7.985 0.004 . 1 . . . . 661 K H . 25674 1 1143 . 1 1 324 324 LYS C C 13 176.730 0.03 . 1 . . . . 661 K C . 25674 1 1144 . 1 1 324 324 LYS CA C 13 57.620 0.03 . 1 . . . . 661 K CA . 25674 1 1145 . 1 1 324 324 LYS CB C 13 30.690 0.03 . 1 . . . . 661 K CB . 25674 1 1146 . 1 1 324 324 LYS N N 15 118.500 0.04 . 1 . . . . 661 K N . 25674 1 1147 . 1 1 325 325 ASP H H 1 7.710 0.004 . 1 . . . . 662 D H . 25674 1 1148 . 1 1 325 325 ASP C C 13 176.100 0.03 . 1 . . . . 662 D C . 25674 1 1149 . 1 1 325 325 ASP CA C 13 54.230 0.03 . 1 . . . . 662 D CA . 25674 1 1150 . 1 1 325 325 ASP CB C 13 41.430 0.03 . 1 . . . . 662 D CB . 25674 1 1151 . 1 1 325 325 ASP N N 15 118.380 0.04 . 1 . . . . 662 D N . 25674 1 1152 . 1 1 326 326 LEU H H 1 7.066 0.004 . 1 . . . . 663 L H . 25674 1 1153 . 1 1 326 326 LEU C C 13 174.300 0.03 . 1 . . . . 663 L C . 25674 1 1154 . 1 1 326 326 LEU CA C 13 51.810 0.03 . 1 . . . . 663 L CA . 25674 1 1155 . 1 1 326 326 LEU CB C 13 40.570 0.03 . 1 . . . . 663 L CB . 25674 1 1156 . 1 1 326 326 LEU N N 15 121.040 0.04 . 1 . . . . 663 L N . 25674 1 1157 . 1 1 327 327 PRO C C 13 176.830 0.03 . 1 . . . . 664 P C . 25674 1 1158 . 1 1 327 327 PRO CA C 13 62.220 0.03 . 1 . . . . 664 P CA . 25674 1 1159 . 1 1 327 327 PRO CB C 13 30.700 0.03 . 1 . . . . 664 P CB . 25674 1 1160 . 1 1 328 328 LYS H H 1 8.396 0.004 . 1 . . . . 665 K H . 25674 1 1161 . 1 1 328 328 LYS C C 13 176.130 0.03 . 1 . . . . 665 K C . 25674 1 1162 . 1 1 328 328 LYS CA C 13 55.320 0.03 . 1 . . . . 665 K CA . 25674 1 1163 . 1 1 328 328 LYS CB C 13 32.600 0.03 . 1 . . . . 665 K CB . 25674 1 1164 . 1 1 328 328 LYS N N 15 121.660 0.04 . 1 . . . . 665 K N . 25674 1 1165 . 1 1 329 329 HIS H H 1 8.697 0.004 . 1 . . . . 666 H H . 25674 1 1166 . 1 1 329 329 HIS C C 13 175.540 0.03 . 1 . . . . 666 H C . 25674 1 1167 . 1 1 329 329 HIS CA C 13 56.450 0.03 . 1 . . . . 666 H CA . 25674 1 1168 . 1 1 329 329 HIS CB C 13 26.520 0.03 . 1 . . . . 666 H CB . 25674 1 1169 . 1 1 329 329 HIS N N 15 113.160 0.04 . 1 . . . . 666 H N . 25674 1 1170 . 1 1 330 330 CYS H H 1 7.212 0.004 . 1 . . . . 667 C H . 25674 1 1171 . 1 1 330 330 CYS C C 13 172.690 0.03 . 1 . . . . 667 C C . 25674 1 1172 . 1 1 330 330 CYS CA C 13 57.490 0.03 . 1 . . . . 667 C CA . 25674 1 1173 . 1 1 330 330 CYS CB C 13 29.640 0.03 . 1 . . . . 667 C CB . 25674 1 1174 . 1 1 330 330 CYS N N 15 117.310 0.04 . 1 . . . . 667 C N . 25674 1 1175 . 1 1 331 331 LEU H H 1 7.580 0.004 . 1 . . . . 668 L H . 25674 1 1176 . 1 1 331 331 LEU C C 13 177.780 0.03 . 1 . . . . 668 L C . 25674 1 1177 . 1 1 331 331 LEU CA C 13 53.560 0.03 . 1 . . . . 668 L CA . 25674 1 1178 . 1 1 331 331 LEU CB C 13 43.230 0.03 . 1 . . . . 668 L CB . 25674 1 1179 . 1 1 331 331 LEU N N 15 116.560 0.04 . 1 . . . . 668 L N . 25674 1 1180 . 1 1 332 332 TYR H H 1 9.365 0.004 . 1 . . . . 669 Y H . 25674 1 1181 . 1 1 332 332 TYR C C 13 175.410 0.03 . 1 . . . . 669 Y C . 25674 1 1182 . 1 1 332 332 TYR CA C 13 57.240 0.03 . 1 . . . . 669 Y CA . 25674 1 1183 . 1 1 332 332 TYR CB C 13 41.160 0.03 . 1 . . . . 669 Y CB . 25674 1 1184 . 1 1 332 332 TYR N N 15 119.830 0.04 . 1 . . . . 669 Y N . 25674 1 1185 . 1 1 333 333 THR H H 1 8.899 0.004 . 1 . . . . 670 T H . 25674 1 1186 . 1 1 333 333 THR C C 13 171.790 0.03 . 1 . . . . 670 T C . 25674 1 1187 . 1 1 333 333 THR CA C 13 62.850 0.03 . 1 . . . . 670 T CA . 25674 1 1188 . 1 1 333 333 THR CB C 13 72.090 0.03 . 1 . . . . 670 T CB . 25674 1 1189 . 1 1 333 333 THR N N 15 118.090 0.04 . 1 . . . . 670 T N . 25674 1 1190 . 1 1 334 334 ARG H H 1 9.248 0.004 . 1 . . . . 671 R H . 25674 1 1191 . 1 1 334 334 ARG C C 13 173.580 0.03 . 1 . . . . 671 R C . 25674 1 1192 . 1 1 334 334 ARG CA C 13 55.000 0.03 . 1 . . . . 671 R CA . 25674 1 1193 . 1 1 334 334 ARG CB C 13 31.390 0.03 . 1 . . . . 671 R CB . 25674 1 1194 . 1 1 334 334 ARG N N 15 129.820 0.04 . 1 . . . . 671 R N . 25674 1 1195 . 1 1 335 335 LEU H H 1 9.404 0.004 . 1 . . . . 672 L H . 25674 1 1196 . 1 1 335 335 LEU C C 13 174.980 0.03 . 1 . . . . 672 L C . 25674 1 1197 . 1 1 335 335 LEU CA C 13 53.060 0.03 . 1 . . . . 672 L CA . 25674 1 1198 . 1 1 335 335 LEU CB C 13 41.320 0.03 . 1 . . . . 672 L CB . 25674 1 1199 . 1 1 335 335 LEU N N 15 129.530 0.04 . 1 . . . . 672 L N . 25674 1 1200 . 1 1 336 336 SER H H 1 8.137 0.004 . 1 . . . . 673 S H . 25674 1 1201 . 1 1 336 336 SER C C 13 173.190 0.03 . 1 . . . . 673 S C . 25674 1 1202 . 1 1 336 336 SER CA C 13 57.310 0.03 . 1 . . . . 673 S CA . 25674 1 1203 . 1 1 336 336 SER CB C 13 64.050 0.03 . 1 . . . . 673 S CB . 25674 1 1204 . 1 1 336 336 SER N N 15 116.850 0.04 . 1 . . . . 673 S N . 25674 1 1205 . 1 1 337 337 SER H H 1 8.072 0.004 . 1 . . . . 674 S H . 25674 1 1206 . 1 1 337 337 SER C C 13 176.830 0.03 . 1 . . . . 674 S C . 25674 1 1207 . 1 1 337 337 SER CA C 13 56.790 0.03 . 1 . . . . 674 S CA . 25674 1 1208 . 1 1 337 337 SER N N 15 109.050 0.04 . 1 . . . . 674 S N . 25674 1 1209 . 1 1 338 338 LEU H H 1 8.081 0.004 . 1 . . . . 675 L H . 25674 1 1210 . 1 1 338 338 LEU C C 13 177.670 0.03 . 1 . . . . 675 L C . 25674 1 1211 . 1 1 338 338 LEU CA C 13 57.390 0.03 . 1 . . . . 675 L CA . 25674 1 1212 . 1 1 338 338 LEU CB C 13 42.010 0.03 . 1 . . . . 675 L CB . 25674 1 1213 . 1 1 338 338 LEU N N 15 116.130 0.04 . 1 . . . . 675 L N . 25674 1 1214 . 1 1 339 339 GLN H H 1 9.964 0.004 . 1 . . . . 676 Q H . 25674 1 1215 . 1 1 339 339 GLN C C 13 175.310 0.03 . 1 . . . . 676 Q C . 25674 1 1216 . 1 1 339 339 GLN CA C 13 57.200 0.03 . 1 . . . . 676 Q CA . 25674 1 1217 . 1 1 339 339 GLN CB C 13 24.580 0.03 . 1 . . . . 676 Q CB . 25674 1 1218 . 1 1 339 339 GLN N N 15 118.450 0.04 . 1 . . . . 676 Q N . 25674 1 1219 . 1 1 340 340 LYS H H 1 8.144 0.004 . 1 . . . . 677 K H . 25674 1 1220 . 1 1 340 340 LYS C C 13 176.320 0.03 . 1 . . . . 677 K C . 25674 1 1221 . 1 1 340 340 LYS CA C 13 56.500 0.03 . 1 . . . . 677 K CA . 25674 1 1222 . 1 1 340 340 LYS CB C 13 32.230 0.03 . 1 . . . . 677 K CB . 25674 1 1223 . 1 1 340 340 LYS N N 15 121.090 0.04 . 1 . . . . 677 K N . 25674 1 1224 . 1 1 341 341 LEU H H 1 7.185 0.004 . 1 . . . . 678 L H . 25674 1 1225 . 1 1 341 341 LEU C C 13 177.150 0.03 . 1 . . . . 678 L C . 25674 1 1226 . 1 1 341 341 LEU CA C 13 55.080 0.03 . 1 . . . . 678 L CA . 25674 1 1227 . 1 1 341 341 LEU CB C 13 41.940 0.03 . 1 . . . . 678 L CB . 25674 1 1228 . 1 1 341 341 LEU N N 15 118.490 0.04 . 1 . . . . 678 L N . 25674 1 1229 . 1 1 342 342 LYS H H 1 9.194 0.004 . 1 . . . . 679 K H . 25674 1 1230 . 1 1 342 342 LYS C C 13 176.310 0.03 . 1 . . . . 679 K C . 25674 1 1231 . 1 1 342 342 LYS CA C 13 56.460 0.03 . 1 . . . . 679 K CA . 25674 1 1232 . 1 1 342 342 LYS CB C 13 32.230 0.03 . 1 . . . . 679 K CB . 25674 1 1233 . 1 1 342 342 LYS N N 15 127.620 0.04 . 1 . . . . 679 K N . 25674 1 1234 . 1 1 343 343 GLU H H 1 7.504 0.004 . 1 . . . . 680 E H . 25674 1 1235 . 1 1 343 343 GLU C C 13 174.030 0.03 . 1 . . . . 680 E C . 25674 1 1236 . 1 1 343 343 GLU CA C 13 53.990 0.03 . 1 . . . . 680 E CA . 25674 1 1237 . 1 1 343 343 GLU CB C 13 30.390 0.03 . 1 . . . . 680 E CB . 25674 1 1238 . 1 1 343 343 GLU N N 15 118.610 0.04 . 1 . . . . 680 E N . 25674 1 1239 . 1 1 344 344 HIS H H 1 7.824 0.004 . 1 . . . . 681 H H . 25674 1 1240 . 1 1 344 344 HIS C C 13 175.550 0.03 . 1 . . . . 681 H C . 25674 1 1241 . 1 1 344 344 HIS CA C 13 55.480 0.03 . 1 . . . . 681 H CA . 25674 1 1242 . 1 1 344 344 HIS N N 15 116.420 0.04 . 1 . . . . 681 H N . 25674 1 1243 . 1 1 345 345 LEU H H 1 9.310 0.004 . 1 . . . . 682 L H . 25674 1 1244 . 1 1 345 345 LEU C C 13 171.720 0.03 . 1 . . . . 682 L C . 25674 1 1245 . 1 1 345 345 LEU CA C 13 55.210 0.03 . 1 . . . . 682 L CA . 25674 1 1246 . 1 1 345 345 LEU CB C 13 38.920 0.03 . 1 . . . . 682 L CB . 25674 1 1247 . 1 1 345 345 LEU N N 15 123.720 0.04 . 1 . . . . 682 L N . 25674 1 1248 . 1 1 346 346 VAL H H 1 6.894 0.004 . 1 . . . . 683 V H . 25674 1 1249 . 1 1 346 346 VAL C C 13 174.800 0.03 . 1 . . . . 683 V C . 25674 1 1250 . 1 1 346 346 VAL CA C 13 59.100 0.03 . 1 . . . . 683 V CA . 25674 1 1251 . 1 1 346 346 VAL CB C 13 33.410 0.03 . 1 . . . . 683 V CB . 25674 1 1252 . 1 1 346 346 VAL N N 15 129.870 0.04 . 1 . . . . 683 V N . 25674 1 1253 . 1 1 350 350 CYS C C 13 172.320 0.03 . 1 . . . . 687 C C . 25674 1 1254 . 1 1 351 351 LEU H H 1 8.812 0.004 . 1 . . . . 688 L H . 25674 1 1255 . 1 1 351 351 LEU C C 13 175.310 0.03 . 1 . . . . 688 L C . 25674 1 1256 . 1 1 351 351 LEU CA C 13 52.600 0.03 . 1 . . . . 688 L CA . 25674 1 1257 . 1 1 351 351 LEU CB C 13 44.520 0.03 . 1 . . . . 688 L CB . 25674 1 1258 . 1 1 351 351 LEU N N 15 125.790 0.04 . 1 . . . . 688 L N . 25674 1 1259 . 1 1 352 352 SER H H 1 8.853 0.004 . 1 . . . . 689 S H . 25674 1 1260 . 1 1 352 352 SER C C 13 174.430 0.03 . 1 . . . . 689 S C . 25674 1 1261 . 1 1 352 352 SER CA C 13 55.960 0.03 . 1 . . . . 689 S CA . 25674 1 1262 . 1 1 352 352 SER CB C 13 63.890 0.03 . 1 . . . . 689 S CB . 25674 1 1263 . 1 1 352 352 SER N N 15 122.040 0.04 . 1 . . . . 689 S N . 25674 1 1264 . 1 1 353 353 TYR H H 1 9.267 0.004 . 1 . . . . 690 Y H . 25674 1 1265 . 1 1 353 353 TYR C C 13 172.270 0.03 . 1 . . . . 690 Y C . 25674 1 1266 . 1 1 353 353 TYR CA C 13 55.530 0.03 . 1 . . . . 690 Y CA . 25674 1 1267 . 1 1 353 353 TYR CB C 13 39.610 0.03 . 1 . . . . 690 Y CB . 25674 1 1268 . 1 1 353 353 TYR N N 15 122.530 0.04 . 1 . . . . 690 Y N . 25674 1 1269 . 1 1 354 354 GLN H H 1 7.935 0.004 . 1 . . . . 691 Q H . 25674 1 1270 . 1 1 354 354 GLN C C 13 175.500 0.03 . 1 . . . . 691 Q C . 25674 1 1271 . 1 1 354 354 GLN CA C 13 53.760 0.03 . 1 . . . . 691 Q CA . 25674 1 1272 . 1 1 354 354 GLN CB C 13 32.760 0.03 . 1 . . . . 691 Q CB . 25674 1 1273 . 1 1 354 354 GLN N N 15 117.460 0.04 . 1 . . . . 691 Q N . 25674 1 1274 . 1 1 355 355 TYR H H 1 9.193 0.004 . 1 . . . . 692 Y H . 25674 1 1275 . 1 1 355 355 TYR C C 13 176.490 0.03 . 1 . . . . 692 Y C . 25674 1 1276 . 1 1 355 355 TYR CA C 13 57.900 0.03 . 1 . . . . 692 Y CA . 25674 1 1277 . 1 1 355 355 TYR CB C 13 39.540 0.03 . 1 . . . . 692 Y CB . 25674 1 1278 . 1 1 355 355 TYR N N 15 125.240 0.04 . 1 . . . . 692 Y N . 25674 1 1279 . 1 1 356 356 SER H H 1 8.704 0.004 . 1 . . . . 693 S H . 25674 1 1280 . 1 1 356 356 SER C C 13 176.040 0.03 . 1 . . . . 693 S C . 25674 1 1281 . 1 1 356 356 SER CA C 13 59.250 0.03 . 1 . . . . 693 S CA . 25674 1 1282 . 1 1 356 356 SER CB C 13 62.630 0.03 . 1 . . . . 693 S CB . 25674 1 1283 . 1 1 356 356 SER N N 15 115.080 0.04 . 1 . . . . 693 S N . 25674 1 1284 . 1 1 357 357 GLY H H 1 8.766 0.004 . 1 . . . . 694 G H . 25674 1 1285 . 1 1 357 357 GLY C C 13 173.470 0.03 . 1 . . . . 694 G C . 25674 1 1286 . 1 1 357 357 GLY CA C 13 45.170 0.03 . 1 . . . . 694 G CA . 25674 1 1287 . 1 1 357 357 GLY N N 15 114.910 0.04 . 1 . . . . 694 G N . 25674 1 1288 . 1 1 358 358 LEU H H 1 7.762 0.004 . 1 . . . . 695 L H . 25674 1 1289 . 1 1 358 358 LEU C C 13 177.330 0.03 . 1 . . . . 695 L C . 25674 1 1290 . 1 1 358 358 LEU CA C 13 53.650 0.03 . 1 . . . . 695 L CA . 25674 1 1291 . 1 1 358 358 LEU CB C 13 42.580 0.03 . 1 . . . . 695 L CB . 25674 1 1292 . 1 1 358 358 LEU N N 15 121.860 0.04 . 1 . . . . 695 L N . 25674 1 1293 . 1 1 359 359 GLU H H 1 8.591 0.004 . 1 . . . . 696 E H . 25674 1 1294 . 1 1 359 359 GLU C C 13 176.320 0.03 . 1 . . . . 696 E C . 25674 1 1295 . 1 1 359 359 GLU CA C 13 56.810 0.03 . 1 . . . . 696 E CA . 25674 1 1296 . 1 1 359 359 GLU CB C 13 29.580 0.03 . 1 . . . . 696 E CB . 25674 1 1297 . 1 1 359 359 GLU N N 15 120.900 0.04 . 1 . . . . 696 E N . 25674 1 1298 . 1 1 360 360 ASP H H 1 7.626 0.004 . 1 . . . . 697 D H . 25674 1 1299 . 1 1 360 360 ASP C C 13 175.440 0.03 . 1 . . . . 697 D C . 25674 1 1300 . 1 1 360 360 ASP CA C 13 53.780 0.03 . 1 . . . . 697 D CA . 25674 1 1301 . 1 1 360 360 ASP CB C 13 41.430 0.03 . 1 . . . . 697 D CB . 25674 1 1302 . 1 1 360 360 ASP N N 15 118.290 0.04 . 1 . . . . 697 D N . 25674 1 1303 . 1 1 361 361 THR H H 1 8.314 0.004 . 1 . . . . 698 T H . 25674 1 1304 . 1 1 361 361 THR C C 13 173.640 0.03 . 1 . . . . 698 T C . 25674 1 1305 . 1 1 361 361 THR CA C 13 62.020 0.03 . 1 . . . . 698 T CA . 25674 1 1306 . 1 1 361 361 THR CB C 13 69.400 0.03 . 1 . . . . 698 T CB . 25674 1 1307 . 1 1 361 361 THR N N 15 116.980 0.04 . 1 . . . . 698 T N . 25674 1 1308 . 1 1 362 362 VAL H H 1 8.908 0.004 . 1 . . . . 699 V H . 25674 1 1309 . 1 1 362 362 VAL C C 13 173.400 0.03 . 1 . . . . 699 V C . 25674 1 1310 . 1 1 362 362 VAL CA C 13 60.730 0.03 . 1 . . . . 699 V CA . 25674 1 1311 . 1 1 362 362 VAL CB C 13 32.310 0.03 . 1 . . . . 699 V CB . 25674 1 1312 . 1 1 362 362 VAL N N 15 128.410 0.04 . 1 . . . . 699 V N . 25674 1 1313 . 1 1 363 363 GLU H H 1 7.933 0.004 . 1 . . . . 700 E H . 25674 1 1314 . 1 1 363 363 GLU C C 13 176.050 0.03 . 1 . . . . 700 E C . 25674 1 1315 . 1 1 363 363 GLU CA C 13 53.900 0.03 . 1 . . . . 700 E CA . 25674 1 1316 . 1 1 363 363 GLU CB C 13 32.680 0.03 . 1 . . . . 700 E CB . 25674 1 1317 . 1 1 363 363 GLU N N 15 121.900 0.04 . 1 . . . . 700 E N . 25674 1 1318 . 1 1 364 364 ASP H H 1 9.186 0.004 . 1 . . . . 701 D H . 25674 1 1319 . 1 1 364 364 ASP C C 13 174.490 0.03 . 1 . . . . 701 D C . 25674 1 1320 . 1 1 364 364 ASP CA C 13 52.410 0.03 . 1 . . . . 701 D CA . 25674 1 1321 . 1 1 364 364 ASP CB C 13 44.700 0.03 . 1 . . . . 701 D CB . 25674 1 1322 . 1 1 364 364 ASP N N 15 123.910 0.04 . 1 . . . . 701 D N . 25674 1 1323 . 1 1 365 365 LYS H H 1 8.878 0.004 . 1 . . . . 702 K H . 25674 1 1324 . 1 1 365 365 LYS C C 13 175.450 0.03 . 1 . . . . 702 K C . 25674 1 1325 . 1 1 365 365 LYS CA C 13 55.330 0.03 . 1 . . . . 702 K CA . 25674 1 1326 . 1 1 365 365 LYS CB C 13 35.460 0.03 . 1 . . . . 702 K CB . 25674 1 1327 . 1 1 365 365 LYS N N 15 120.630 0.04 . 1 . . . . 702 K N . 25674 1 1328 . 1 1 366 366 GLN H H 1 8.862 0.004 . 1 . . . . 703 Q H . 25674 1 1329 . 1 1 366 366 GLN C C 13 173.670 0.03 . 1 . . . . 703 Q C . 25674 1 1330 . 1 1 366 366 GLN CA C 13 54.750 0.03 . 1 . . . . 703 Q CA . 25674 1 1331 . 1 1 366 366 GLN CB C 13 32.310 0.03 . 1 . . . . 703 Q CB . 25674 1 1332 . 1 1 366 366 GLN N N 15 119.670 0.04 . 1 . . . . 703 Q N . 25674 1 1333 . 1 1 367 367 GLU H H 1 8.558 0.004 . 1 . . . . 704 E H . 25674 1 1334 . 1 1 367 367 GLU C C 13 175.770 0.03 . 1 . . . . 704 E C . 25674 1 1335 . 1 1 367 367 GLU CA C 13 55.790 0.03 . 1 . . . . 704 E CA . 25674 1 1336 . 1 1 367 367 GLU CB C 13 30.800 0.03 . 1 . . . . 704 E CB . 25674 1 1337 . 1 1 367 367 GLU N N 15 125.020 0.04 . 1 . . . . 704 E N . 25674 1 1338 . 1 1 368 368 VAL H H 1 8.909 0.004 . 1 . . . . 705 V H . 25674 1 1339 . 1 1 368 368 VAL C C 13 172.260 0.03 . 1 . . . . 705 V C . 25674 1 1340 . 1 1 368 368 VAL CA C 13 60.180 0.03 . 1 . . . . 705 V CA . 25674 1 1341 . 1 1 368 368 VAL CB C 13 33.350 0.03 . 1 . . . . 705 V CB . 25674 1 1342 . 1 1 368 368 VAL N N 15 124.620 0.04 . 1 . . . . 705 V N . 25674 1 1343 . 1 1 369 369 ASN H H 1 8.151 0.004 . 1 . . . . 706 N H . 25674 1 1344 . 1 1 369 369 ASN C C 13 176.690 0.03 . 1 . . . . 706 N C . 25674 1 1345 . 1 1 369 369 ASN CA C 13 50.770 0.03 . 1 . . . . 706 N CA . 25674 1 1346 . 1 1 369 369 ASN CB C 13 39.140 0.03 . 1 . . . . 706 N CB . 25674 1 1347 . 1 1 369 369 ASN N N 15 122.000 0.04 . 1 . . . . 706 N N . 25674 1 1348 . 1 1 370 370 VAL H H 1 8.402 0.004 . 1 . . . . 707 V H . 25674 1 1349 . 1 1 370 370 VAL C C 13 175.900 0.03 . 1 . . . . 707 V C . 25674 1 1350 . 1 1 370 370 VAL CA C 13 58.980 0.03 . 1 . . . . 707 V CA . 25674 1 1351 . 1 1 370 370 VAL CB C 13 30.110 0.03 . 1 . . . . 707 V CB . 25674 1 1352 . 1 1 370 370 VAL N N 15 117.450 0.04 . 1 . . . . 707 V N . 25674 1 1353 . 1 1 371 371 GLY H H 1 8.613 0.004 . 1 . . . . 708 G H . 25674 1 1354 . 1 1 371 371 GLY C C 13 173.440 0.03 . 1 . . . . 708 G C . 25674 1 1355 . 1 1 371 371 GLY CA C 13 45.520 0.03 . 1 . . . . 708 G CA . 25674 1 1356 . 1 1 371 371 GLY N N 15 110.490 0.04 . 1 . . . . 708 G N . 25674 1 1357 . 1 1 372 372 LYS H H 1 8.520 0.004 . 1 . . . . 709 K H . 25674 1 1358 . 1 1 372 372 LYS C C 13 173.000 0.03 . 1 . . . . 709 K C . 25674 1 1359 . 1 1 372 372 LYS CA C 13 52.810 0.03 . 1 . . . . 709 K CA . 25674 1 1360 . 1 1 372 372 LYS CB C 13 31.720 0.03 . 1 . . . . 709 K CB . 25674 1 1361 . 1 1 372 372 LYS N N 15 125.050 0.04 . 1 . . . . 709 K N . 25674 1 1362 . 1 1 373 373 PRO C C 13 175.260 0.03 . 1 . . . . 710 P C . 25674 1 1363 . 1 1 373 373 PRO CA C 13 61.230 0.03 . 1 . . . . 710 P CA . 25674 1 1364 . 1 1 373 373 PRO CB C 13 32.030 0.03 . 1 . . . . 710 P CB . 25674 1 1365 . 1 1 374 374 LEU H H 1 8.663 0.004 . 1 . . . . 711 L H . 25674 1 1366 . 1 1 374 374 LEU C C 13 176.760 0.03 . 1 . . . . 711 L C . 25674 1 1367 . 1 1 374 374 LEU CA C 13 55.560 0.03 . 1 . . . . 711 L CA . 25674 1 1368 . 1 1 374 374 LEU CB C 13 38.910 0.03 . 1 . . . . 711 L CB . 25674 1 1369 . 1 1 374 374 LEU N N 15 117.490 0.04 . 1 . . . . 711 L N . 25674 1 1370 . 1 1 375 375 ILE H H 1 8.227 0.004 . 1 . . . . 712 I H . 25674 1 1371 . 1 1 375 375 ILE C C 13 176.100 0.03 . 1 . . . . 712 I C . 25674 1 1372 . 1 1 375 375 ILE CA C 13 58.520 0.03 . 1 . . . . 712 I CA . 25674 1 1373 . 1 1 375 375 ILE CB C 13 37.710 0.03 . 1 . . . . 712 I CB . 25674 1 1374 . 1 1 375 375 ILE N N 15 122.040 0.04 . 1 . . . . 712 I N . 25674 1 1375 . 1 1 376 376 ALA H H 1 8.409 0.004 . 1 . . . . 713 A H . 25674 1 1376 . 1 1 376 376 ALA C C 13 178.680 0.03 . 1 . . . . 713 A C . 25674 1 1377 . 1 1 376 376 ALA CA C 13 53.400 0.03 . 1 . . . . 713 A CA . 25674 1 1378 . 1 1 376 376 ALA CB C 13 16.940 0.03 . 1 . . . . 713 A CB . 25674 1 1379 . 1 1 376 376 ALA N N 15 125.890 0.04 . 1 . . . . 713 A N . 25674 1 1380 . 1 1 377 377 LYS H H 1 7.522 0.004 . 1 . . . . 714 K H . 25674 1 1381 . 1 1 377 377 LYS C C 13 177.370 0.03 . 1 . . . . 714 K C . 25674 1 1382 . 1 1 377 377 LYS CA C 13 57.650 0.03 . 1 . . . . 714 K CA . 25674 1 1383 . 1 1 377 377 LYS CB C 13 31.700 0.03 . 1 . . . . 714 K CB . 25674 1 1384 . 1 1 377 377 LYS N N 15 116.180 0.04 . 1 . . . . 714 K N . 25674 1 1385 . 1 1 378 378 LEU H H 1 7.658 0.004 . 1 . . . . 715 L H . 25674 1 1386 . 1 1 378 378 LEU C C 13 176.240 0.03 . 1 . . . . 715 L C . 25674 1 1387 . 1 1 378 378 LEU CA C 13 55.270 0.03 . 1 . . . . 715 L CA . 25674 1 1388 . 1 1 378 378 LEU CB C 13 41.010 0.03 . 1 . . . . 715 L CB . 25674 1 1389 . 1 1 378 378 LEU N N 15 117.810 0.04 . 1 . . . . 715 L N . 25674 1 1390 . 1 1 379 379 ASP H H 1 7.813 0.004 . 1 . . . . 716 D H . 25674 1 1391 . 1 1 379 379 ASP C C 13 177.180 0.03 . 1 . . . . 716 D C . 25674 1 1392 . 1 1 379 379 ASP CA C 13 54.440 0.03 . 1 . . . . 716 D CA . 25674 1 1393 . 1 1 379 379 ASP CB C 13 38.940 0.03 . 1 . . . . 716 D CB . 25674 1 1394 . 1 1 379 379 ASP N N 15 118.470 0.04 . 1 . . . . 716 D N . 25674 1 1395 . 1 1 380 380 MET H H 1 8.880 0.004 . 1 . . . . 717 M H . 25674 1 1396 . 1 1 380 380 MET C C 13 175.840 0.03 . 1 . . . . 717 M C . 25674 1 1397 . 1 1 380 380 MET CA C 13 57.970 0.03 . 1 . . . . 717 M CA . 25674 1 1398 . 1 1 380 380 MET CB C 13 32.280 0.03 . 1 . . . . 717 M CB . 25674 1 1399 . 1 1 380 380 MET N N 15 118.880 0.04 . 1 . . . . 717 M N . 25674 1 1400 . 1 1 381 381 HIS H H 1 7.762 0.004 . 1 . . . . 718 H H . 25674 1 1401 . 1 1 381 381 HIS C C 13 176.280 0.03 . 1 . . . . 718 H C . 25674 1 1402 . 1 1 381 381 HIS CA C 13 55.960 0.03 . 1 . . . . 718 H CA . 25674 1 1403 . 1 1 381 381 HIS CB C 13 29.570 0.03 . 1 . . . . 718 H CB . 25674 1 1404 . 1 1 381 381 HIS N N 15 115.540 0.04 . 1 . . . . 718 H N . 25674 1 1405 . 1 1 382 382 ARG H H 1 7.333 0.004 . 1 . . . . 719 R H . 25674 1 1406 . 1 1 382 382 ARG CA C 13 56.270 0.03 . 1 . . . . 719 R CA . 25674 1 1407 . 1 1 382 382 ARG CB C 13 28.510 0.03 . 1 . . . . 719 R CB . 25674 1 1408 . 1 1 382 382 ARG N N 15 120.180 0.04 . 1 . . . . 719 R N . 25674 1 stop_ save_