data_52265 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52265 _Entry.Title ; Backbone assignments for MALT1 E549A mutation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-09 _Entry.Accession_date 2024-01-09 _Entry.Last_release_date 2024-01-09 _Entry.Original_release_date 2024-01-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'some backbone assignments for the E549A mutation of MALT1 protein' _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 Johan Wallerstein . . . . 52265 2 Xiao Han . . . . 52265 3 Maria Levkovets . . . . 52265 4 Dmitry Lesovoy . . . . 52265 5 Daniel Malmodin . . . . 52265 6 Claudio Mirabello . . . . 52265 7 Bjorn Wallner . . . . 52265 8 Renhua Sun . . . . 52265 9 Tatyana Sandalova . . . . 52265 10 Peter Agback . . . . 52265 11 Goran Karlsson . . . . 52265 12 Adnane Achour . . . . 52265 13 Tatiana Agback . . . . 52265 14 Vladislav Orekhov . . . . 52265 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52265 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 52265 '15N chemical shifts' 264 52265 '1H chemical shifts' 264 52265 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 . . 2024-08-05 . original BMRB . 52265 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25674 'Backbone Assignment of the MALT1 Paracaspase by Solution NMR' 52265 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52265 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39014105 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Insights into mechanisms of MALT1 allostery from NMR and AlphaFold dynamic analyses ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 868 _Citation.Page_last 868 _Citation.Year 2024 _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 Johan Wallerstein . . . . 52265 1 2 Xiao Han . . . . 52265 1 3 Maria Levkovets . . . . 52265 1 4 Dmitry Lesovoy . . . . 52265 1 5 Daniel Malmodin . . . . 52265 1 6 Claudio Mirabello . . . . 52265 1 7 Bjorn Wallner . . . . 52265 1 8 Renhua Sun . . . . 52265 1 9 Tatyana Sandalova . . . . 52265 1 10 Peter Agback . . . . 52265 1 11 Goran Karlsson . . . . 52265 1 12 Adnane Achour . . . . 52265 1 13 Tatiana Agback . . . . 52265 1 14 Vladislav Orekhov . . . . 52265 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR, alpafold2, allosteric regulation' 52265 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52265 _Assembly.ID 1 _Assembly.Name 'MALT1 PCASP and Ig3 domains' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MALT1 1 $entity_1 . . yes native no no . . . 52265 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52265 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLAKDKVALLIGNMNYREHP KLKAPLVDVYELTNLLRQLD FKVVSLLDLTEYEMRNAVDE FLLLLDKGVYGLLYYAGHGY ENFGNSFMVPVDAPNPYRSE NCLCVQNILKLMQEKETGLN VFLLDMCRKRNDYDDTIPIL DALKVTANIVFGYATCQGAE AFEIQHSGLANGIFMKFLKD RLLEDKKITVLLDEVAEDMG KCHLTKGKQALAIRSSLSEK RALTDPIQGTEYSAESLVRN LQWAKAHELPESMCLKFDCG VQIQLGFAAEFSNVMIIYTS IVYKPPEIIMCDAYVTDFPL DLDIDPKDANKGTPEETGSY LVSKDLPKHCLYTRLSSLQK LKEHLVFTVCLSYQYSGLED TVEDKQEVNVGKPLIAKLDM HRHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering start at M338 and ends with H725' _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation E549A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 338 MET . 52265 1 2 339 LEU . 52265 1 3 340 ALA . 52265 1 4 341 LYS . 52265 1 5 342 ASP . 52265 1 6 343 LYS . 52265 1 7 344 VAL . 52265 1 8 345 ALA . 52265 1 9 346 LEU . 52265 1 10 347 LEU . 52265 1 11 348 ILE . 52265 1 12 349 GLY . 52265 1 13 350 ASN . 52265 1 14 351 MET . 52265 1 15 352 ASN . 52265 1 16 353 TYR . 52265 1 17 354 ARG . 52265 1 18 355 GLU . 52265 1 19 356 HIS . 52265 1 20 357 PRO . 52265 1 21 358 LYS . 52265 1 22 359 LEU . 52265 1 23 360 LYS . 52265 1 24 361 ALA . 52265 1 25 362 PRO . 52265 1 26 363 LEU . 52265 1 27 364 VAL . 52265 1 28 365 ASP . 52265 1 29 366 VAL . 52265 1 30 367 TYR . 52265 1 31 368 GLU . 52265 1 32 369 LEU . 52265 1 33 370 THR . 52265 1 34 371 ASN . 52265 1 35 372 LEU . 52265 1 36 373 LEU . 52265 1 37 374 ARG . 52265 1 38 375 GLN . 52265 1 39 376 LEU . 52265 1 40 377 ASP . 52265 1 41 378 PHE . 52265 1 42 379 LYS . 52265 1 43 380 VAL . 52265 1 44 381 VAL . 52265 1 45 382 SER . 52265 1 46 383 LEU . 52265 1 47 384 LEU . 52265 1 48 385 ASP . 52265 1 49 386 LEU . 52265 1 50 387 THR . 52265 1 51 388 GLU . 52265 1 52 389 TYR . 52265 1 53 390 GLU . 52265 1 54 391 MET . 52265 1 55 392 ARG . 52265 1 56 393 ASN . 52265 1 57 394 ALA . 52265 1 58 395 VAL . 52265 1 59 396 ASP . 52265 1 60 397 GLU . 52265 1 61 398 PHE . 52265 1 62 399 LEU . 52265 1 63 400 LEU . 52265 1 64 401 LEU . 52265 1 65 402 LEU . 52265 1 66 403 ASP . 52265 1 67 404 LYS . 52265 1 68 405 GLY . 52265 1 69 406 VAL . 52265 1 70 407 TYR . 52265 1 71 408 GLY . 52265 1 72 409 LEU . 52265 1 73 410 LEU . 52265 1 74 411 TYR . 52265 1 75 412 TYR . 52265 1 76 413 ALA . 52265 1 77 414 GLY . 52265 1 78 415 HIS . 52265 1 79 416 GLY . 52265 1 80 417 TYR . 52265 1 81 418 GLU . 52265 1 82 419 ASN . 52265 1 83 420 PHE . 52265 1 84 421 GLY . 52265 1 85 422 ASN . 52265 1 86 423 SER . 52265 1 87 424 PHE . 52265 1 88 425 MET . 52265 1 89 426 VAL . 52265 1 90 427 PRO . 52265 1 91 428 VAL . 52265 1 92 429 ASP . 52265 1 93 430 ALA . 52265 1 94 431 PRO . 52265 1 95 432 ASN . 52265 1 96 433 PRO . 52265 1 97 434 TYR . 52265 1 98 435 ARG . 52265 1 99 436 SER . 52265 1 100 437 GLU . 52265 1 101 438 ASN . 52265 1 102 439 CYS . 52265 1 103 440 LEU . 52265 1 104 441 CYS . 52265 1 105 442 VAL . 52265 1 106 443 GLN . 52265 1 107 444 ASN . 52265 1 108 445 ILE . 52265 1 109 446 LEU . 52265 1 110 447 LYS . 52265 1 111 448 LEU . 52265 1 112 449 MET . 52265 1 113 450 GLN . 52265 1 114 451 GLU . 52265 1 115 452 LYS . 52265 1 116 453 GLU . 52265 1 117 454 THR . 52265 1 118 455 GLY . 52265 1 119 456 LEU . 52265 1 120 457 ASN . 52265 1 121 458 VAL . 52265 1 122 459 PHE . 52265 1 123 460 LEU . 52265 1 124 461 LEU . 52265 1 125 462 ASP . 52265 1 126 463 MET . 52265 1 127 464 CYS . 52265 1 128 465 ARG . 52265 1 129 466 LYS . 52265 1 130 467 ARG . 52265 1 131 468 ASN . 52265 1 132 469 ASP . 52265 1 133 470 TYR . 52265 1 134 471 ASP . 52265 1 135 472 ASP . 52265 1 136 473 THR . 52265 1 137 474 ILE . 52265 1 138 475 PRO . 52265 1 139 476 ILE . 52265 1 140 477 LEU . 52265 1 141 478 ASP . 52265 1 142 479 ALA . 52265 1 143 480 LEU . 52265 1 144 481 LYS . 52265 1 145 482 VAL . 52265 1 146 483 THR . 52265 1 147 484 ALA . 52265 1 148 485 ASN . 52265 1 149 486 ILE . 52265 1 150 487 VAL . 52265 1 151 488 PHE . 52265 1 152 489 GLY . 52265 1 153 490 TYR . 52265 1 154 491 ALA . 52265 1 155 492 THR . 52265 1 156 493 CYS . 52265 1 157 494 GLN . 52265 1 158 495 GLY . 52265 1 159 496 ALA . 52265 1 160 497 GLU . 52265 1 161 498 ALA . 52265 1 162 499 PHE . 52265 1 163 500 GLU . 52265 1 164 501 ILE . 52265 1 165 502 GLN . 52265 1 166 503 HIS . 52265 1 167 504 SER . 52265 1 168 505 GLY . 52265 1 169 506 LEU . 52265 1 170 507 ALA . 52265 1 171 508 ASN . 52265 1 172 509 GLY . 52265 1 173 510 ILE . 52265 1 174 511 PHE . 52265 1 175 512 MET . 52265 1 176 513 LYS . 52265 1 177 514 PHE . 52265 1 178 515 LEU . 52265 1 179 516 LYS . 52265 1 180 517 ASP . 52265 1 181 518 ARG . 52265 1 182 519 LEU . 52265 1 183 520 LEU . 52265 1 184 521 GLU . 52265 1 185 522 ASP . 52265 1 186 523 LYS . 52265 1 187 524 LYS . 52265 1 188 525 ILE . 52265 1 189 526 THR . 52265 1 190 527 VAL . 52265 1 191 528 LEU . 52265 1 192 529 LEU . 52265 1 193 530 ASP . 52265 1 194 531 GLU . 52265 1 195 532 VAL . 52265 1 196 533 ALA . 52265 1 197 534 GLU . 52265 1 198 535 ASP . 52265 1 199 536 MET . 52265 1 200 537 GLY . 52265 1 201 538 LYS . 52265 1 202 539 CYS . 52265 1 203 540 HIS . 52265 1 204 541 LEU . 52265 1 205 542 THR . 52265 1 206 543 LYS . 52265 1 207 544 GLY . 52265 1 208 545 LYS . 52265 1 209 546 GLN . 52265 1 210 547 ALA . 52265 1 211 548 LEU . 52265 1 212 549 ALA . 52265 1 213 550 ILE . 52265 1 214 551 ARG . 52265 1 215 552 SER . 52265 1 216 553 SER . 52265 1 217 554 LEU . 52265 1 218 555 SER . 52265 1 219 556 GLU . 52265 1 220 557 LYS . 52265 1 221 558 ARG . 52265 1 222 559 ALA . 52265 1 223 560 LEU . 52265 1 224 561 THR . 52265 1 225 562 ASP . 52265 1 226 563 PRO . 52265 1 227 564 ILE . 52265 1 228 565 GLN . 52265 1 229 566 GLY . 52265 1 230 567 THR . 52265 1 231 568 GLU . 52265 1 232 569 TYR . 52265 1 233 570 SER . 52265 1 234 571 ALA . 52265 1 235 572 GLU . 52265 1 236 573 SER . 52265 1 237 574 LEU . 52265 1 238 575 VAL . 52265 1 239 576 ARG . 52265 1 240 577 ASN . 52265 1 241 578 LEU . 52265 1 242 579 GLN . 52265 1 243 580 TRP . 52265 1 244 581 ALA . 52265 1 245 582 LYS . 52265 1 246 583 ALA . 52265 1 247 584 HIS . 52265 1 248 585 GLU . 52265 1 249 586 LEU . 52265 1 250 587 PRO . 52265 1 251 588 GLU . 52265 1 252 589 SER . 52265 1 253 590 MET . 52265 1 254 591 CYS . 52265 1 255 592 LEU . 52265 1 256 593 LYS . 52265 1 257 594 PHE . 52265 1 258 595 ASP . 52265 1 259 596 CYS . 52265 1 260 597 GLY . 52265 1 261 598 VAL . 52265 1 262 599 GLN . 52265 1 263 600 ILE . 52265 1 264 601 GLN . 52265 1 265 602 LEU . 52265 1 266 603 GLY . 52265 1 267 604 PHE . 52265 1 268 605 ALA . 52265 1 269 606 ALA . 52265 1 270 607 GLU . 52265 1 271 608 PHE . 52265 1 272 609 SER . 52265 1 273 610 ASN . 52265 1 274 611 VAL . 52265 1 275 612 MET . 52265 1 276 613 ILE . 52265 1 277 614 ILE . 52265 1 278 615 TYR . 52265 1 279 616 THR . 52265 1 280 617 SER . 52265 1 281 618 ILE . 52265 1 282 619 VAL . 52265 1 283 620 TYR . 52265 1 284 621 LYS . 52265 1 285 622 PRO . 52265 1 286 623 PRO . 52265 1 287 624 GLU . 52265 1 288 625 ILE . 52265 1 289 626 ILE . 52265 1 290 627 MET . 52265 1 291 628 CYS . 52265 1 292 629 ASP . 52265 1 293 630 ALA . 52265 1 294 631 TYR . 52265 1 295 632 VAL . 52265 1 296 633 THR . 52265 1 297 634 ASP . 52265 1 298 635 PHE . 52265 1 299 636 PRO . 52265 1 300 637 LEU . 52265 1 301 638 ASP . 52265 1 302 639 LEU . 52265 1 303 640 ASP . 52265 1 304 641 ILE . 52265 1 305 642 ASP . 52265 1 306 643 PRO . 52265 1 307 644 LYS . 52265 1 308 645 ASP . 52265 1 309 646 ALA . 52265 1 310 647 ASN . 52265 1 311 648 LYS . 52265 1 312 649 GLY . 52265 1 313 650 THR . 52265 1 314 651 PRO . 52265 1 315 652 GLU . 52265 1 316 653 GLU . 52265 1 317 654 THR . 52265 1 318 655 GLY . 52265 1 319 656 SER . 52265 1 320 657 TYR . 52265 1 321 658 LEU . 52265 1 322 659 VAL . 52265 1 323 660 SER . 52265 1 324 661 LYS . 52265 1 325 662 ASP . 52265 1 326 663 LEU . 52265 1 327 664 PRO . 52265 1 328 665 LYS . 52265 1 329 666 HIS . 52265 1 330 667 CYS . 52265 1 331 668 LEU . 52265 1 332 669 TYR . 52265 1 333 670 THR . 52265 1 334 671 ARG . 52265 1 335 672 LEU . 52265 1 336 673 SER . 52265 1 337 674 SER . 52265 1 338 675 LEU . 52265 1 339 676 GLN . 52265 1 340 677 LYS . 52265 1 341 678 LEU . 52265 1 342 679 LYS . 52265 1 343 680 GLU . 52265 1 344 681 HIS . 52265 1 345 682 LEU . 52265 1 346 683 VAL . 52265 1 347 684 PHE . 52265 1 348 685 THR . 52265 1 349 686 VAL . 52265 1 350 687 CYS . 52265 1 351 688 LEU . 52265 1 352 689 SER . 52265 1 353 690 TYR . 52265 1 354 691 GLN . 52265 1 355 692 TYR . 52265 1 356 693 SER . 52265 1 357 694 GLY . 52265 1 358 695 LEU . 52265 1 359 696 GLU . 52265 1 360 697 ASP . 52265 1 361 698 THR . 52265 1 362 699 VAL . 52265 1 363 700 GLU . 52265 1 364 701 ASP . 52265 1 365 702 LYS . 52265 1 366 703 GLN . 52265 1 367 704 GLU . 52265 1 368 705 VAL . 52265 1 369 706 ASN . 52265 1 370 707 VAL . 52265 1 371 708 GLY . 52265 1 372 709 LYS . 52265 1 373 710 PRO . 52265 1 374 711 LEU . 52265 1 375 712 ILE . 52265 1 376 713 ALA . 52265 1 377 714 LYS . 52265 1 378 715 LEU . 52265 1 379 716 ASP . 52265 1 380 717 MET . 52265 1 381 718 HIS . 52265 1 382 719 ARG . 52265 1 383 720 HIS . 52265 1 384 721 HIS . 52265 1 385 722 HIS . 52265 1 386 723 HIS . 52265 1 387 724 HIS . 52265 1 388 725 HIS . 52265 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 52265 1 . LEU 2 2 52265 1 . ALA 3 3 52265 1 . LYS 4 4 52265 1 . ASP 5 5 52265 1 . LYS 6 6 52265 1 . VAL 7 7 52265 1 . ALA 8 8 52265 1 . LEU 9 9 52265 1 . LEU 10 10 52265 1 . ILE 11 11 52265 1 . GLY 12 12 52265 1 . ASN 13 13 52265 1 . MET 14 14 52265 1 . ASN 15 15 52265 1 . TYR 16 16 52265 1 . ARG 17 17 52265 1 . GLU 18 18 52265 1 . HIS 19 19 52265 1 . PRO 20 20 52265 1 . LYS 21 21 52265 1 . LEU 22 22 52265 1 . LYS 23 23 52265 1 . ALA 24 24 52265 1 . PRO 25 25 52265 1 . LEU 26 26 52265 1 . VAL 27 27 52265 1 . ASP 28 28 52265 1 . VAL 29 29 52265 1 . TYR 30 30 52265 1 . GLU 31 31 52265 1 . LEU 32 32 52265 1 . THR 33 33 52265 1 . ASN 34 34 52265 1 . LEU 35 35 52265 1 . LEU 36 36 52265 1 . ARG 37 37 52265 1 . GLN 38 38 52265 1 . LEU 39 39 52265 1 . ASP 40 40 52265 1 . PHE 41 41 52265 1 . LYS 42 42 52265 1 . VAL 43 43 52265 1 . VAL 44 44 52265 1 . SER 45 45 52265 1 . LEU 46 46 52265 1 . LEU 47 47 52265 1 . ASP 48 48 52265 1 . LEU 49 49 52265 1 . THR 50 50 52265 1 . GLU 51 51 52265 1 . TYR 52 52 52265 1 . GLU 53 53 52265 1 . MET 54 54 52265 1 . ARG 55 55 52265 1 . ASN 56 56 52265 1 . ALA 57 57 52265 1 . VAL 58 58 52265 1 . ASP 59 59 52265 1 . GLU 60 60 52265 1 . PHE 61 61 52265 1 . LEU 62 62 52265 1 . LEU 63 63 52265 1 . LEU 64 64 52265 1 . LEU 65 65 52265 1 . ASP 66 66 52265 1 . LYS 67 67 52265 1 . GLY 68 68 52265 1 . VAL 69 69 52265 1 . TYR 70 70 52265 1 . GLY 71 71 52265 1 . LEU 72 72 52265 1 . LEU 73 73 52265 1 . TYR 74 74 52265 1 . TYR 75 75 52265 1 . ALA 76 76 52265 1 . GLY 77 77 52265 1 . HIS 78 78 52265 1 . GLY 79 79 52265 1 . TYR 80 80 52265 1 . GLU 81 81 52265 1 . ASN 82 82 52265 1 . PHE 83 83 52265 1 . GLY 84 84 52265 1 . ASN 85 85 52265 1 . SER 86 86 52265 1 . PHE 87 87 52265 1 . MET 88 88 52265 1 . VAL 89 89 52265 1 . PRO 90 90 52265 1 . VAL 91 91 52265 1 . ASP 92 92 52265 1 . ALA 93 93 52265 1 . PRO 94 94 52265 1 . ASN 95 95 52265 1 . PRO 96 96 52265 1 . TYR 97 97 52265 1 . ARG 98 98 52265 1 . SER 99 99 52265 1 . GLU 100 100 52265 1 . ASN 101 101 52265 1 . CYS 102 102 52265 1 . LEU 103 103 52265 1 . CYS 104 104 52265 1 . VAL 105 105 52265 1 . GLN 106 106 52265 1 . ASN 107 107 52265 1 . ILE 108 108 52265 1 . LEU 109 109 52265 1 . LYS 110 110 52265 1 . LEU 111 111 52265 1 . MET 112 112 52265 1 . GLN 113 113 52265 1 . GLU 114 114 52265 1 . LYS 115 115 52265 1 . GLU 116 116 52265 1 . THR 117 117 52265 1 . GLY 118 118 52265 1 . LEU 119 119 52265 1 . ASN 120 120 52265 1 . VAL 121 121 52265 1 . PHE 122 122 52265 1 . LEU 123 123 52265 1 . LEU 124 124 52265 1 . ASP 125 125 52265 1 . MET 126 126 52265 1 . CYS 127 127 52265 1 . ARG 128 128 52265 1 . LYS 129 129 52265 1 . ARG 130 130 52265 1 . ASN 131 131 52265 1 . ASP 132 132 52265 1 . TYR 133 133 52265 1 . ASP 134 134 52265 1 . ASP 135 135 52265 1 . THR 136 136 52265 1 . ILE 137 137 52265 1 . PRO 138 138 52265 1 . ILE 139 139 52265 1 . LEU 140 140 52265 1 . ASP 141 141 52265 1 . ALA 142 142 52265 1 . LEU 143 143 52265 1 . LYS 144 144 52265 1 . VAL 145 145 52265 1 . THR 146 146 52265 1 . ALA 147 147 52265 1 . ASN 148 148 52265 1 . ILE 149 149 52265 1 . VAL 150 150 52265 1 . PHE 151 151 52265 1 . GLY 152 152 52265 1 . TYR 153 153 52265 1 . ALA 154 154 52265 1 . THR 155 155 52265 1 . CYS 156 156 52265 1 . GLN 157 157 52265 1 . GLY 158 158 52265 1 . ALA 159 159 52265 1 . GLU 160 160 52265 1 . ALA 161 161 52265 1 . PHE 162 162 52265 1 . GLU 163 163 52265 1 . ILE 164 164 52265 1 . GLN 165 165 52265 1 . HIS 166 166 52265 1 . SER 167 167 52265 1 . GLY 168 168 52265 1 . LEU 169 169 52265 1 . ALA 170 170 52265 1 . ASN 171 171 52265 1 . GLY 172 172 52265 1 . ILE 173 173 52265 1 . PHE 174 174 52265 1 . MET 175 175 52265 1 . LYS 176 176 52265 1 . PHE 177 177 52265 1 . LEU 178 178 52265 1 . LYS 179 179 52265 1 . ASP 180 180 52265 1 . ARG 181 181 52265 1 . LEU 182 182 52265 1 . LEU 183 183 52265 1 . GLU 184 184 52265 1 . ASP 185 185 52265 1 . LYS 186 186 52265 1 . LYS 187 187 52265 1 . ILE 188 188 52265 1 . THR 189 189 52265 1 . VAL 190 190 52265 1 . LEU 191 191 52265 1 . LEU 192 192 52265 1 . ASP 193 193 52265 1 . GLU 194 194 52265 1 . VAL 195 195 52265 1 . ALA 196 196 52265 1 . GLU 197 197 52265 1 . ASP 198 198 52265 1 . MET 199 199 52265 1 . GLY 200 200 52265 1 . LYS 201 201 52265 1 . CYS 202 202 52265 1 . HIS 203 203 52265 1 . LEU 204 204 52265 1 . THR 205 205 52265 1 . LYS 206 206 52265 1 . GLY 207 207 52265 1 . LYS 208 208 52265 1 . GLN 209 209 52265 1 . ALA 210 210 52265 1 . LEU 211 211 52265 1 . ALA 212 212 52265 1 . ILE 213 213 52265 1 . ARG 214 214 52265 1 . SER 215 215 52265 1 . SER 216 216 52265 1 . LEU 217 217 52265 1 . SER 218 218 52265 1 . GLU 219 219 52265 1 . LYS 220 220 52265 1 . ARG 221 221 52265 1 . ALA 222 222 52265 1 . LEU 223 223 52265 1 . THR 224 224 52265 1 . ASP 225 225 52265 1 . PRO 226 226 52265 1 . ILE 227 227 52265 1 . GLN 228 228 52265 1 . GLY 229 229 52265 1 . THR 230 230 52265 1 . GLU 231 231 52265 1 . TYR 232 232 52265 1 . SER 233 233 52265 1 . ALA 234 234 52265 1 . GLU 235 235 52265 1 . SER 236 236 52265 1 . LEU 237 237 52265 1 . VAL 238 238 52265 1 . ARG 239 239 52265 1 . ASN 240 240 52265 1 . LEU 241 241 52265 1 . GLN 242 242 52265 1 . TRP 243 243 52265 1 . ALA 244 244 52265 1 . LYS 245 245 52265 1 . ALA 246 246 52265 1 . HIS 247 247 52265 1 . GLU 248 248 52265 1 . LEU 249 249 52265 1 . PRO 250 250 52265 1 . GLU 251 251 52265 1 . SER 252 252 52265 1 . MET 253 253 52265 1 . CYS 254 254 52265 1 . LEU 255 255 52265 1 . LYS 256 256 52265 1 . PHE 257 257 52265 1 . ASP 258 258 52265 1 . CYS 259 259 52265 1 . GLY 260 260 52265 1 . VAL 261 261 52265 1 . GLN 262 262 52265 1 . ILE 263 263 52265 1 . GLN 264 264 52265 1 . LEU 265 265 52265 1 . GLY 266 266 52265 1 . PHE 267 267 52265 1 . ALA 268 268 52265 1 . ALA 269 269 52265 1 . GLU 270 270 52265 1 . PHE 271 271 52265 1 . SER 272 272 52265 1 . ASN 273 273 52265 1 . VAL 274 274 52265 1 . MET 275 275 52265 1 . ILE 276 276 52265 1 . ILE 277 277 52265 1 . TYR 278 278 52265 1 . THR 279 279 52265 1 . SER 280 280 52265 1 . ILE 281 281 52265 1 . VAL 282 282 52265 1 . TYR 283 283 52265 1 . LYS 284 284 52265 1 . PRO 285 285 52265 1 . PRO 286 286 52265 1 . GLU 287 287 52265 1 . ILE 288 288 52265 1 . ILE 289 289 52265 1 . MET 290 290 52265 1 . CYS 291 291 52265 1 . ASP 292 292 52265 1 . ALA 293 293 52265 1 . TYR 294 294 52265 1 . VAL 295 295 52265 1 . THR 296 296 52265 1 . ASP 297 297 52265 1 . PHE 298 298 52265 1 . PRO 299 299 52265 1 . LEU 300 300 52265 1 . ASP 301 301 52265 1 . LEU 302 302 52265 1 . ASP 303 303 52265 1 . ILE 304 304 52265 1 . ASP 305 305 52265 1 . PRO 306 306 52265 1 . LYS 307 307 52265 1 . ASP 308 308 52265 1 . ALA 309 309 52265 1 . ASN 310 310 52265 1 . LYS 311 311 52265 1 . GLY 312 312 52265 1 . THR 313 313 52265 1 . PRO 314 314 52265 1 . GLU 315 315 52265 1 . GLU 316 316 52265 1 . THR 317 317 52265 1 . GLY 318 318 52265 1 . SER 319 319 52265 1 . TYR 320 320 52265 1 . LEU 321 321 52265 1 . VAL 322 322 52265 1 . SER 323 323 52265 1 . LYS 324 324 52265 1 . ASP 325 325 52265 1 . LEU 326 326 52265 1 . PRO 327 327 52265 1 . LYS 328 328 52265 1 . HIS 329 329 52265 1 . CYS 330 330 52265 1 . LEU 331 331 52265 1 . TYR 332 332 52265 1 . THR 333 333 52265 1 . ARG 334 334 52265 1 . LEU 335 335 52265 1 . SER 336 336 52265 1 . SER 337 337 52265 1 . LEU 338 338 52265 1 . GLN 339 339 52265 1 . LYS 340 340 52265 1 . LEU 341 341 52265 1 . LYS 342 342 52265 1 . GLU 343 343 52265 1 . HIS 344 344 52265 1 . LEU 345 345 52265 1 . VAL 346 346 52265 1 . PHE 347 347 52265 1 . THR 348 348 52265 1 . VAL 349 349 52265 1 . CYS 350 350 52265 1 . LEU 351 351 52265 1 . SER 352 352 52265 1 . TYR 353 353 52265 1 . GLN 354 354 52265 1 . TYR 355 355 52265 1 . SER 356 356 52265 1 . GLY 357 357 52265 1 . LEU 358 358 52265 1 . GLU 359 359 52265 1 . ASP 360 360 52265 1 . THR 361 361 52265 1 . VAL 362 362 52265 1 . GLU 363 363 52265 1 . ASP 364 364 52265 1 . LYS 365 365 52265 1 . GLN 366 366 52265 1 . GLU 367 367 52265 1 . VAL 368 368 52265 1 . ASN 369 369 52265 1 . VAL 370 370 52265 1 . GLY 371 371 52265 1 . LYS 372 372 52265 1 . PRO 373 373 52265 1 . LEU 374 374 52265 1 . ILE 375 375 52265 1 . ALA 376 376 52265 1 . LYS 377 377 52265 1 . LEU 378 378 52265 1 . ASP 379 379 52265 1 . MET 380 380 52265 1 . HIS 381 381 52265 1 . ARG 382 382 52265 1 . HIS 383 383 52265 1 . HIS 384 384 52265 1 . HIS 385 385 52265 1 . HIS 386 386 52265 1 . HIS 387 387 52265 1 . HIS 388 388 52265 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52265 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli T7 . . . . . . . . . . . . 52265 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52265 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli T7 . . plasmid . . pET21b . . . 52265 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52265 _Sample.ID 1 _Sample.Name only _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 PCASP and Ig3 domains' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.4 0.3 0.5 mM . . . . 52265 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52265 1 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 52265 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 52265 1 5 'sodium azide' 'natural abundance' . . . . . . 0.002 . . % . . . . 52265 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 52265 _Sample_condition_list.ID 1 _Sample_condition_list.Name normal _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' 0.05 . M 52265 1 pH 7.6 . pH 52265 1 pressure 1 . atm 52265 1 temperature 298 . K 52265 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52265 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52265 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52265 _Software.ID 2 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52265 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52265 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52265 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52265 _Software.ID 4 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52265 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52265 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52265 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52265 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52265 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52265 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52265 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52265 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52265 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52265 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MALT1 E549A mutant' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52265 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 52265 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ALA H H 1 8.67 . . . . . . . . 340 ALA H . 52265 1 2 . 1 . 1 3 3 ALA CA C 13 50.32 . . . . . . . . 340 ALA CA . 52265 1 3 . 1 . 1 3 3 ALA N N 15 124.55 . . . . . . . . 340 ALA N . 52265 1 4 . 1 . 1 4 4 LYS H H 1 8.01 . . . . . . . . 341 LYS H . 52265 1 5 . 1 . 1 4 4 LYS CA C 13 57.75 . . . . . . . . 341 LYS CA . 52265 1 6 . 1 . 1 4 4 LYS N N 15 122.10 . . . . . . . . 341 LYS N . 52265 1 7 . 1 . 1 5 5 ASP H H 1 7.46 . . . . . . . . 342 ASP H . 52265 1 8 . 1 . 1 5 5 ASP CA C 13 51.88 . . . . . . . . 342 ASP CA . 52265 1 9 . 1 . 1 5 5 ASP N N 15 108.58 . . . . . . . . 342 ASP N . 52265 1 10 . 1 . 1 6 6 LYS H H 1 9.28 . . . . . . . . 343 LYS H . 52265 1 11 . 1 . 1 6 6 LYS CA C 13 55.83 . . . . . . . . 343 LYS CA . 52265 1 12 . 1 . 1 6 6 LYS N N 15 123.31 . . . . . . . . 343 LYS N . 52265 1 13 . 1 . 1 14 14 MET CA C 13 56.45 . . . . . . . . 351 MET CA . 52265 1 14 . 1 . 1 15 15 ASN H H 1 9.93 . . . . . . . . 352 ASN H . 52265 1 15 . 1 . 1 15 15 ASN CA C 13 52.41 . . . . . . . . 352 ASN CA . 52265 1 16 . 1 . 1 15 15 ASN N N 15 124.87 . . . . . . . . 352 ASN N . 52265 1 17 . 1 . 1 16 16 TYR H H 1 7.49 . . . . . . . . 353 TYR H . 52265 1 18 . 1 . 1 16 16 TYR CA C 13 55.12 . . . . . . . . 353 TYR CA . 52265 1 19 . 1 . 1 16 16 TYR N N 15 119.96 . . . . . . . . 353 TYR N . 52265 1 20 . 1 . 1 17 17 ARG H H 1 8.08 . . . . . . . . 354 ARG H . 52265 1 21 . 1 . 1 17 17 ARG CA C 13 58.67 . . . . . . . . 354 ARG CA . 52265 1 22 . 1 . 1 17 17 ARG N N 15 120.82 . . . . . . . . 354 ARG N . 52265 1 23 . 1 . 1 18 18 GLU H H 1 9.44 . . . . . . . . 355 GLU H . 52265 1 24 . 1 . 1 18 18 GLU CA C 13 54.90 . . . . . . . . 355 GLU CA . 52265 1 25 . 1 . 1 18 18 GLU N N 15 115.03 . . . . . . . . 355 GLU N . 52265 1 26 . 1 . 1 19 19 HIS H H 1 6.79 . . . . . . . . 356 HIS H . 52265 1 27 . 1 . 1 19 19 HIS CA C 13 53.79 . . . . . . . . 356 HIS CA . 52265 1 28 . 1 . 1 19 19 HIS N N 15 115.43 . . . . . . . . 356 HIS N . 52265 1 29 . 1 . 1 20 20 PRO CA C 13 63.35 . . . . . . . . 357 PRO CA . 52265 1 30 . 1 . 1 21 21 LYS H H 1 8.51 . . . . . . . . 358 LYS H . 52265 1 31 . 1 . 1 21 21 LYS CA C 13 56.64 . . . . . . . . 358 LYS CA . 52265 1 32 . 1 . 1 21 21 LYS N N 15 122.14 . . . . . . . . 358 LYS N . 52265 1 33 . 1 . 1 22 22 LEU H H 1 8.16 . . . . . . . . 359 LEU H . 52265 1 34 . 1 . 1 22 22 LEU CA C 13 53.01 . . . . . . . . 359 LEU CA . 52265 1 35 . 1 . 1 22 22 LEU N N 15 122.17 . . . . . . . . 359 LEU N . 52265 1 36 . 1 . 1 24 24 ALA H H 1 8.55 . . . . . . . . 361 ALA H . 52265 1 37 . 1 . 1 24 24 ALA CA C 13 55.67 . . . . . . . . 361 ALA CA . 52265 1 38 . 1 . 1 24 24 ALA N N 15 123.93 . . . . . . . . 361 ALA N . 52265 1 39 . 1 . 1 25 25 PRO CA C 13 66.35 . . . . . . . . 362 PRO CA . 52265 1 40 . 1 . 1 26 26 LEU H H 1 6.68 . . . . . . . . 363 LEU H . 52265 1 41 . 1 . 1 26 26 LEU CA C 13 58.34 . . . . . . . . 363 LEU CA . 52265 1 42 . 1 . 1 26 26 LEU N N 15 113.27 . . . . . . . . 363 LEU N . 52265 1 43 . 1 . 1 27 27 VAL H H 1 6.94 . . . . . . . . 364 VAL H . 52265 1 44 . 1 . 1 27 27 VAL CA C 13 64.01 . . . . . . . . 364 VAL CA . 52265 1 45 . 1 . 1 27 27 VAL N N 15 113.92 . . . . . . . . 364 VAL N . 52265 1 46 . 1 . 1 28 28 ASP H H 1 8.57 . . . . . . . . 365 ASP H . 52265 1 47 . 1 . 1 28 28 ASP CA C 13 58.12 . . . . . . . . 365 ASP CA . 52265 1 48 . 1 . 1 28 28 ASP N N 15 121.95 . . . . . . . . 365 ASP N . 52265 1 49 . 1 . 1 29 29 VAL H H 1 8.75 . . . . . . . . 366 VAL H . 52265 1 50 . 1 . 1 29 29 VAL CA C 13 66.73 . . . . . . . . 366 VAL CA . 52265 1 51 . 1 . 1 29 29 VAL N N 15 116.89 . . . . . . . . 366 VAL N . 52265 1 52 . 1 . 1 30 30 TYR H H 1 7.67 . . . . . . . . 367 TYR H . 52265 1 53 . 1 . 1 30 30 TYR CA C 13 62.11 . . . . . . . . 367 TYR CA . 52265 1 54 . 1 . 1 30 30 TYR N N 15 123.74 . . . . . . . . 367 TYR N . 52265 1 55 . 1 . 1 31 31 GLU H H 1 8.86 . . . . . . . . 368 GLU H . 52265 1 56 . 1 . 1 31 31 GLU CA C 13 59.42 . . . . . . . . 368 GLU CA . 52265 1 57 . 1 . 1 31 31 GLU N N 15 117.56 . . . . . . . . 368 GLU N . 52265 1 58 . 1 . 1 32 32 LEU H H 1 8.51 . . . . . . . . 369 LEU H . 52265 1 59 . 1 . 1 32 32 LEU CA C 13 57.23 . . . . . . . . 369 LEU CA . 52265 1 60 . 1 . 1 32 32 LEU N N 15 120.43 . . . . . . . . 369 LEU N . 52265 1 61 . 1 . 1 36 36 LEU CA C 13 56.84 . . . . . . . . 373 LEU CA . 52265 1 62 . 1 . 1 37 37 ARG H H 1 8.43 . . . . . . . . 374 ARG H . 52265 1 63 . 1 . 1 37 37 ARG CA C 13 60.22 . . . . . . . . 374 ARG CA . 52265 1 64 . 1 . 1 37 37 ARG N N 15 120.35 . . . . . . . . 374 ARG N . 52265 1 65 . 1 . 1 38 38 GLN H H 1 7.62 . . . . . . . . 375 GLN H . 52265 1 66 . 1 . 1 38 38 GLN CA C 13 58.34 . . . . . . . . 375 GLN CA . 52265 1 67 . 1 . 1 38 38 GLN N N 15 120.53 . . . . . . . . 375 GLN N . 52265 1 68 . 1 . 1 39 39 LEU H H 1 7.25 . . . . . . . . 376 LEU H . 52265 1 69 . 1 . 1 39 39 LEU CA C 13 53.84 . . . . . . . . 376 LEU CA . 52265 1 70 . 1 . 1 39 39 LEU N N 15 119.05 . . . . . . . . 376 LEU N . 52265 1 71 . 1 . 1 40 40 ASP H H 1 7.77 . . . . . . . . 377 ASP H . 52265 1 72 . 1 . 1 40 40 ASP CA C 13 55.90 . . . . . . . . 377 ASP CA . 52265 1 73 . 1 . 1 40 40 ASP N N 15 110.51 . . . . . . . . 377 ASP N . 52265 1 74 . 1 . 1 41 41 PHE H H 1 8.11 . . . . . . . . 378 PHE H . 52265 1 75 . 1 . 1 41 41 PHE CA C 13 58.14 . . . . . . . . 378 PHE CA . 52265 1 76 . 1 . 1 41 41 PHE N N 15 113.91 . . . . . . . . 378 PHE N . 52265 1 77 . 1 . 1 42 42 LYS H H 1 9.00 . . . . . . . . 379 LYS H . 52265 1 78 . 1 . 1 42 42 LYS CA C 13 55.64 . . . . . . . . 379 LYS CA . 52265 1 79 . 1 . 1 42 42 LYS N N 15 123.22 . . . . . . . . 379 LYS N . 52265 1 80 . 1 . 1 43 43 VAL H H 1 8.80 . . . . . . . . 380 VAL H . 52265 1 81 . 1 . 1 43 43 VAL CA C 13 61.30 . . . . . . . . 380 VAL CA . 52265 1 82 . 1 . 1 43 43 VAL N N 15 125.99 . . . . . . . . 380 VAL N . 52265 1 83 . 1 . 1 44 44 VAL H H 1 9.04 . . . . . . . . 381 VAL H . 52265 1 84 . 1 . 1 44 44 VAL N N 15 122.41 . . . . . . . . 381 VAL N . 52265 1 85 . 1 . 1 49 49 LEU H H 1 8.33 . . . . . . . . 386 LEU H . 52265 1 86 . 1 . 1 49 49 LEU CA C 13 52.74 . . . . . . . . 386 LEU CA . 52265 1 87 . 1 . 1 49 49 LEU N N 15 122.52 . . . . . . . . 386 LEU N . 52265 1 88 . 1 . 1 50 50 THR H H 1 8.81 . . . . . . . . 387 THR H . 52265 1 89 . 1 . 1 50 50 THR CA C 13 60.95 . . . . . . . . 387 THR CA . 52265 1 90 . 1 . 1 50 50 THR N N 15 113.45 . . . . . . . . 387 THR N . 52265 1 91 . 1 . 1 51 51 GLU H H 1 9.79 . . . . . . . . 388 GLU H . 52265 1 92 . 1 . 1 51 51 GLU CA C 13 60.54 . . . . . . . . 388 GLU CA . 52265 1 93 . 1 . 1 51 51 GLU N N 15 123.73 . . . . . . . . 388 GLU N . 52265 1 94 . 1 . 1 52 52 TYR H H 1 8.58 . . . . . . . . 389 TYR H . 52265 1 95 . 1 . 1 52 52 TYR CA C 13 60.17 . . . . . . . . 389 TYR CA . 52265 1 96 . 1 . 1 52 52 TYR N N 15 117.03 . . . . . . . . 389 TYR N . 52265 1 97 . 1 . 1 53 53 GLU H H 1 7.15 . . . . . . . . 390 GLU H . 52265 1 98 . 1 . 1 53 53 GLU CA C 13 57.98 . . . . . . . . 390 GLU CA . 52265 1 99 . 1 . 1 53 53 GLU N N 15 117.12 . . . . . . . . 390 GLU N . 52265 1 100 . 1 . 1 54 54 MET H H 1 9.09 . . . . . . . . 391 MET H . 52265 1 101 . 1 . 1 54 54 MET CA C 13 60.03 . . . . . . . . 391 MET CA . 52265 1 102 . 1 . 1 54 54 MET N N 15 117.95 . . . . . . . . 391 MET N . 52265 1 103 . 1 . 1 55 55 ARG H H 1 8.42 . . . . . . . . 392 ARG H . 52265 1 104 . 1 . 1 55 55 ARG CA C 13 60.25 . . . . . . . . 392 ARG CA . 52265 1 105 . 1 . 1 55 55 ARG N N 15 116.61 . . . . . . . . 392 ARG N . 52265 1 106 . 1 . 1 62 62 LEU CA C 13 57.28 . . . . . . . . 399 LEU CA . 52265 1 107 . 1 . 1 63 63 LEU H H 1 7.13 . . . . . . . . 400 LEU H . 52265 1 108 . 1 . 1 63 63 LEU CA C 13 56.13 . . . . . . . . 400 LEU CA . 52265 1 109 . 1 . 1 63 63 LEU N N 15 115.91 . . . . . . . . 400 LEU N . 52265 1 110 . 1 . 1 64 64 LEU H H 1 7.45 . . . . . . . . 401 LEU H . 52265 1 111 . 1 . 1 64 64 LEU CA C 13 54.41 . . . . . . . . 401 LEU CA . 52265 1 112 . 1 . 1 64 64 LEU N N 15 116.72 . . . . . . . . 401 LEU N . 52265 1 113 . 1 . 1 65 65 LEU H H 1 6.75 . . . . . . . . 402 LEU H . 52265 1 114 . 1 . 1 65 65 LEU CA C 13 53.69 . . . . . . . . 402 LEU CA . 52265 1 115 . 1 . 1 65 65 LEU N N 15 116.68 . . . . . . . . 402 LEU N . 52265 1 116 . 1 . 1 66 66 ASP H H 1 7.19 . . . . . . . . 403 ASP H . 52265 1 117 . 1 . 1 66 66 ASP CA C 13 52.09 . . . . . . . . 403 ASP CA . 52265 1 118 . 1 . 1 66 66 ASP N N 15 120.71 . . . . . . . . 403 ASP N . 52265 1 119 . 1 . 1 67 67 LYS H H 1 8.56 . . . . . . . . 404 LYS H . 52265 1 120 . 1 . 1 67 67 LYS CA C 13 57.29 . . . . . . . . 404 LYS CA . 52265 1 121 . 1 . 1 67 67 LYS N N 15 120.00 . . . . . . . . 404 LYS N . 52265 1 122 . 1 . 1 68 68 GLY H H 1 8.45 . . . . . . . . 405 GLY H . 52265 1 123 . 1 . 1 68 68 GLY CA C 13 45.70 . . . . . . . . 405 GLY CA . 52265 1 124 . 1 . 1 68 68 GLY N N 15 110.39 . . . . . . . . 405 GLY N . 52265 1 125 . 1 . 1 69 69 VAL H H 1 8.39 . . . . . . . . 406 VAL H . 52265 1 126 . 1 . 1 69 69 VAL CA C 13 64.09 . . . . . . . . 406 VAL CA . 52265 1 127 . 1 . 1 69 69 VAL N N 15 124.62 . . . . . . . . 406 VAL N . 52265 1 128 . 1 . 1 70 70 TYR H H 1 9.13 . . . . . . . . 407 TYR H . 52265 1 129 . 1 . 1 70 70 TYR CA C 13 54.50 . . . . . . . . 407 TYR CA . 52265 1 130 . 1 . 1 70 70 TYR N N 15 128.73 . . . . . . . . 407 TYR N . 52265 1 131 . 1 . 1 71 71 GLY H H 1 9.40 . . . . . . . . 408 GLY H . 52265 1 132 . 1 . 1 71 71 GLY CA C 13 43.19 . . . . . . . . 408 GLY CA . 52265 1 133 . 1 . 1 71 71 GLY N N 15 109.42 . . . . . . . . 408 GLY N . 52265 1 134 . 1 . 1 77 77 GLY H H 1 6.83 . . . . . . . . 414 GLY H . 52265 1 135 . 1 . 1 77 77 GLY CA C 13 44.76 . . . . . . . . 414 GLY CA . 52265 1 136 . 1 . 1 77 77 GLY N N 15 103.94 . . . . . . . . 414 GLY N . 52265 1 137 . 1 . 1 78 78 HIS H H 1 8.39 . . . . . . . . 415 HIS H . 52265 1 138 . 1 . 1 78 78 HIS CA C 13 57.82 . . . . . . . . 415 HIS CA . 52265 1 139 . 1 . 1 78 78 HIS N N 15 118.83 . . . . . . . . 415 HIS N . 52265 1 140 . 1 . 1 79 79 GLY H H 1 9.08 . . . . . . . . 416 GLY H . 52265 1 141 . 1 . 1 79 79 GLY CA C 13 45.06 . . . . . . . . 416 GLY CA . 52265 1 142 . 1 . 1 79 79 GLY N N 15 109.83 . . . . . . . . 416 GLY N . 52265 1 143 . 1 . 1 80 80 TYR H H 1 8.50 . . . . . . . . 417 TYR H . 52265 1 144 . 1 . 1 80 80 TYR N N 15 118.75 . . . . . . . . 417 TYR N . 52265 1 145 . 1 . 1 81 81 GLU H H 1 8.30 . . . . . . . . 418 GLU H . 52265 1 146 . 1 . 1 81 81 GLU CA C 13 53.80 . . . . . . . . 418 GLU CA . 52265 1 147 . 1 . 1 81 81 GLU N N 15 123.01 . . . . . . . . 418 GLU N . 52265 1 148 . 1 . 1 82 82 ASN H H 1 8.78 . . . . . . . . 419 ASN H . 52265 1 149 . 1 . 1 82 82 ASN CA C 13 53.37 . . . . . . . . 419 ASN CA . 52265 1 150 . 1 . 1 82 82 ASN N N 15 119.04 . . . . . . . . 419 ASN N . 52265 1 151 . 1 . 1 83 83 PHE CA C 13 58.09 . . . . . . . . 420 PHE CA . 52265 1 152 . 1 . 1 84 84 GLY H H 1 8.87 . . . . . . . . 421 GLY H . 52265 1 153 . 1 . 1 84 84 GLY CA C 13 45.15 . . . . . . . . 421 GLY CA . 52265 1 154 . 1 . 1 84 84 GLY N N 15 105.59 . . . . . . . . 421 GLY N . 52265 1 155 . 1 . 1 85 85 ASN H H 1 7.91 . . . . . . . . 422 ASN H . 52265 1 156 . 1 . 1 85 85 ASN CA C 13 51.34 . . . . . . . . 422 ASN CA . 52265 1 157 . 1 . 1 85 85 ASN N N 15 118.32 . . . . . . . . 422 ASN N . 52265 1 158 . 1 . 1 86 86 SER H H 1 8.91 . . . . . . . . 423 SER H . 52265 1 159 . 1 . 1 86 86 SER CA C 13 56.94 . . . . . . . . 423 SER CA . 52265 1 160 . 1 . 1 86 86 SER N N 15 115.37 . . . . . . . . 423 SER N . 52265 1 161 . 1 . 1 87 87 PHE H H 1 9.17 . . . . . . . . 424 PHE H . 52265 1 162 . 1 . 1 87 87 PHE CA C 13 56.56 . . . . . . . . 424 PHE CA . 52265 1 163 . 1 . 1 87 87 PHE N N 15 120.63 . . . . . . . . 424 PHE N . 52265 1 164 . 1 . 1 88 88 MET H H 1 9.03 . . . . . . . . 425 MET H . 52265 1 165 . 1 . 1 88 88 MET CA C 13 54.56 . . . . . . . . 425 MET CA . 52265 1 166 . 1 . 1 88 88 MET N N 15 118.70 . . . . . . . . 425 MET N . 52265 1 167 . 1 . 1 89 89 VAL H H 1 7.60 . . . . . . . . 426 VAL H . 52265 1 168 . 1 . 1 89 89 VAL CA C 13 60.20 . . . . . . . . 426 VAL CA . 52265 1 169 . 1 . 1 89 89 VAL N N 15 123.97 . . . . . . . . 426 VAL N . 52265 1 170 . 1 . 1 90 90 PRO CA C 13 62.34 . . . . . . . . 427 PRO CA . 52265 1 171 . 1 . 1 91 91 VAL H H 1 7.77 . . . . . . . . 428 VAL H . 52265 1 172 . 1 . 1 91 91 VAL CA C 13 64.49 . . . . . . . . 428 VAL CA . 52265 1 173 . 1 . 1 91 91 VAL N N 15 109.23 . . . . . . . . 428 VAL N . 52265 1 174 . 1 . 1 92 92 ASP H H 1 9.06 . . . . . . . . 429 ASP H . 52265 1 175 . 1 . 1 92 92 ASP CA C 13 51.93 . . . . . . . . 429 ASP CA . 52265 1 176 . 1 . 1 92 92 ASP N N 15 118.33 . . . . . . . . 429 ASP N . 52265 1 177 . 1 . 1 93 93 ALA H H 1 7.59 . . . . . . . . 430 ALA H . 52265 1 178 . 1 . 1 93 93 ALA CA C 13 50.94 . . . . . . . . 430 ALA CA . 52265 1 179 . 1 . 1 93 93 ALA N N 15 124.02 . . . . . . . . 430 ALA N . 52265 1 180 . 1 . 1 94 94 PRO CA C 13 61.93 . . . . . . . . 431 PRO CA . 52265 1 181 . 1 . 1 95 95 ASN H H 1 8.14 . . . . . . . . 432 ASN H . 52265 1 182 . 1 . 1 95 95 ASN CA C 13 48.85 . . . . . . . . 432 ASN CA . 52265 1 183 . 1 . 1 95 95 ASN N N 15 116.91 . . . . . . . . 432 ASN N . 52265 1 184 . 1 . 1 96 96 PRO CA C 13 62.47 . . . . . . . . 433 PRO CA . 52265 1 185 . 1 . 1 97 97 TYR H H 1 7.49 . . . . . . . . 434 TYR H . 52265 1 186 . 1 . 1 97 97 TYR CA C 13 56.15 . . . . . . . . 434 TYR CA . 52265 1 187 . 1 . 1 97 97 TYR N N 15 115.19 . . . . . . . . 434 TYR N . 52265 1 188 . 1 . 1 107 107 ASN H H 1 8.02 . . . . . . . . 444 ASN H . 52265 1 189 . 1 . 1 107 107 ASN CA C 13 55.72 . . . . . . . . 444 ASN CA . 52265 1 190 . 1 . 1 107 107 ASN N N 15 116.71 . . . . . . . . 444 ASN N . 52265 1 191 . 1 . 1 108 108 ILE H H 1 7.47 . . . . . . . . 445 ILE H . 52265 1 192 . 1 . 1 108 108 ILE CA C 13 64.89 . . . . . . . . 445 ILE CA . 52265 1 193 . 1 . 1 108 108 ILE N N 15 120.78 . . . . . . . . 445 ILE N . 52265 1 194 . 1 . 1 109 109 LEU H H 1 8.49 . . . . . . . . 446 LEU H . 52265 1 195 . 1 . 1 109 109 LEU CA C 13 57.72 . . . . . . . . 446 LEU CA . 52265 1 196 . 1 . 1 109 109 LEU N N 15 119.34 . . . . . . . . 446 LEU N . 52265 1 197 . 1 . 1 111 111 LEU H H 1 7.48 . . . . . . . . 448 LEU H . 52265 1 198 . 1 . 1 111 111 LEU CA C 13 57.19 . . . . . . . . 448 LEU CA . 52265 1 199 . 1 . 1 111 111 LEU N N 15 118.68 . . . . . . . . 448 LEU N . 52265 1 200 . 1 . 1 112 112 MET H H 1 8.51 . . . . . . . . 449 MET H . 52265 1 201 . 1 . 1 112 112 MET N N 15 118.33 . . . . . . . . 449 MET N . 52265 1 202 . 1 . 1 113 113 GLN H H 1 7.97 . . . . . . . . 450 GLN H . 52265 1 203 . 1 . 1 113 113 GLN CA C 13 57.61 . . . . . . . . 450 GLN CA . 52265 1 204 . 1 . 1 113 113 GLN N N 15 115.46 . . . . . . . . 450 GLN N . 52265 1 205 . 1 . 1 114 114 GLU H H 1 7.18 . . . . . . . . 451 GLU H . 52265 1 206 . 1 . 1 114 114 GLU CA C 13 56.05 . . . . . . . . 451 GLU CA . 52265 1 207 . 1 . 1 114 114 GLU N N 15 116.02 . . . . . . . . 451 GLU N . 52265 1 208 . 1 . 1 115 115 LYS H H 1 7.42 . . . . . . . . 452 LYS H . 52265 1 209 . 1 . 1 115 115 LYS CA C 13 53.33 . . . . . . . . 452 LYS CA . 52265 1 210 . 1 . 1 115 115 LYS N N 15 117.11 . . . . . . . . 452 LYS N . 52265 1 211 . 1 . 1 116 116 GLU H H 1 8.97 . . . . . . . . 453 GLU H . 52265 1 212 . 1 . 1 116 116 GLU CA C 13 54.97 . . . . . . . . 453 GLU CA . 52265 1 213 . 1 . 1 116 116 GLU N N 15 123.25 . . . . . . . . 453 GLU N . 52265 1 214 . 1 . 1 117 117 THR H H 1 7.52 . . . . . . . . 454 THR H . 52265 1 215 . 1 . 1 117 117 THR CA C 13 60.57 . . . . . . . . 454 THR CA . 52265 1 216 . 1 . 1 117 117 THR N N 15 110.42 . . . . . . . . 454 THR N . 52265 1 217 . 1 . 1 118 118 GLY H H 1 8.63 . . . . . . . . 455 GLY H . 52265 1 218 . 1 . 1 118 118 GLY CA C 13 46.20 . . . . . . . . 455 GLY CA . 52265 1 219 . 1 . 1 118 118 GLY N N 15 108.62 . . . . . . . . 455 GLY N . 52265 1 220 . 1 . 1 119 119 LEU H H 1 7.31 . . . . . . . . 456 LEU H . 52265 1 221 . 1 . 1 119 119 LEU CA C 13 55.08 . . . . . . . . 456 LEU CA . 52265 1 222 . 1 . 1 119 119 LEU N N 15 116.77 . . . . . . . . 456 LEU N . 52265 1 223 . 1 . 1 120 120 ASN H H 1 8.48 . . . . . . . . 457 ASN H . 52265 1 224 . 1 . 1 120 120 ASN CA C 13 51.47 . . . . . . . . 457 ASN CA . 52265 1 225 . 1 . 1 120 120 ASN N N 15 125.91 . . . . . . . . 457 ASN N . 52265 1 226 . 1 . 1 121 121 VAL H H 1 9.15 . . . . . . . . 458 VAL H . 52265 1 227 . 1 . 1 121 121 VAL CA C 13 60.54 . . . . . . . . 458 VAL CA . 52265 1 228 . 1 . 1 121 121 VAL N N 15 124.61 . . . . . . . . 458 VAL N . 52265 1 229 . 1 . 1 122 122 PHE H H 1 9.49 . . . . . . . . 459 PHE H . 52265 1 230 . 1 . 1 122 122 PHE CA C 13 52.61 . . . . . . . . 459 PHE CA . 52265 1 231 . 1 . 1 122 122 PHE N N 15 131.02 . . . . . . . . 459 PHE N . 52265 1 232 . 1 . 1 123 123 LEU H H 1 9.75 . . . . . . . . 460 LEU H . 52265 1 233 . 1 . 1 123 123 LEU CA C 13 52.35 . . . . . . . . 460 LEU CA . 52265 1 234 . 1 . 1 123 123 LEU N N 15 124.85 . . . . . . . . 460 LEU N . 52265 1 235 . 1 . 1 124 124 LEU H H 1 8.54 . . . . . . . . 461 LEU H . 52265 1 236 . 1 . 1 124 124 LEU CA C 13 52.30 . . . . . . . . 461 LEU CA . 52265 1 237 . 1 . 1 124 124 LEU N N 15 122.03 . . . . . . . . 461 LEU N . 52265 1 238 . 1 . 1 125 125 ASP H H 1 9.01 . . . . . . . . 462 ASP H . 52265 1 239 . 1 . 1 125 125 ASP CA C 13 51.39 . . . . . . . . 462 ASP CA . 52265 1 240 . 1 . 1 125 125 ASP N N 15 125.97 . . . . . . . . 462 ASP N . 52265 1 241 . 1 . 1 126 126 MET H H 1 8.03 . . . . . . . . 463 MET H . 52265 1 242 . 1 . 1 126 126 MET CA C 13 54.61 . . . . . . . . 463 MET CA . 52265 1 243 . 1 . 1 126 126 MET N N 15 116.69 . . . . . . . . 463 MET N . 52265 1 244 . 1 . 1 134 134 ASP CA C 13 54.06 . . . . . . . . 471 ASP CA . 52265 1 245 . 1 . 1 135 135 ASP H H 1 8.36 . . . . . . . . 472 ASP H . 52265 1 246 . 1 . 1 135 135 ASP CA C 13 53.84 . . . . . . . . 472 ASP CA . 52265 1 247 . 1 . 1 135 135 ASP N N 15 121.82 . . . . . . . . 472 ASP N . 52265 1 248 . 1 . 1 136 136 THR H H 1 8.27 . . . . . . . . 473 THR H . 52265 1 249 . 1 . 1 136 136 THR CA C 13 62.15 . . . . . . . . 473 THR CA . 52265 1 250 . 1 . 1 136 136 THR N N 15 114.79 . . . . . . . . 473 THR N . 52265 1 251 . 1 . 1 138 138 PRO CA C 13 62.93 . . . . . . . . 475 PRO CA . 52265 1 252 . 1 . 1 139 139 ILE H H 1 8.28 . . . . . . . . 476 ILE H . 52265 1 253 . 1 . 1 139 139 ILE CA C 13 60.99 . . . . . . . . 476 ILE CA . 52265 1 254 . 1 . 1 139 139 ILE N N 15 120.52 . . . . . . . . 476 ILE N . 52265 1 255 . 1 . 1 149 149 ILE CA C 13 59.60 . . . . . . . . 486 ILE CA . 52265 1 256 . 1 . 1 150 150 VAL H H 1 9.23 . . . . . . . . 487 VAL H . 52265 1 257 . 1 . 1 150 150 VAL CA C 13 61.91 . . . . . . . . 487 VAL CA . 52265 1 258 . 1 . 1 150 150 VAL N N 15 127.61 . . . . . . . . 487 VAL N . 52265 1 259 . 1 . 1 151 151 PHE H H 1 9.16 . . . . . . . . 488 PHE H . 52265 1 260 . 1 . 1 151 151 PHE CA C 13 54.54 . . . . . . . . 488 PHE CA . 52265 1 261 . 1 . 1 151 151 PHE N N 15 128.95 . . . . . . . . 488 PHE N . 52265 1 262 . 1 . 1 152 152 GLY H H 1 8.97 . . . . . . . . 489 GLY H . 52265 1 263 . 1 . 1 152 152 GLY CA C 13 43.65 . . . . . . . . 489 GLY CA . 52265 1 264 . 1 . 1 152 152 GLY N N 15 113.26 . . . . . . . . 489 GLY N . 52265 1 265 . 1 . 1 153 153 TYR H H 1 8.92 . . . . . . . . 490 TYR H . 52265 1 266 . 1 . 1 153 153 TYR CA C 13 55.69 . . . . . . . . 490 TYR CA . 52265 1 267 . 1 . 1 153 153 TYR N N 15 126.68 . . . . . . . . 490 TYR N . 52265 1 268 . 1 . 1 154 154 ALA H H 1 9.16 . . . . . . . . 491 ALA H . 52265 1 269 . 1 . 1 154 154 ALA CA C 13 50.11 . . . . . . . . 491 ALA CA . 52265 1 270 . 1 . 1 154 154 ALA N N 15 133.55 . . . . . . . . 491 ALA N . 52265 1 271 . 1 . 1 158 158 GLY CA C 13 45.07 . . . . . . . . 495 GLY CA . 52265 1 272 . 1 . 1 159 159 ALA H H 1 8.23 . . . . . . . . 496 ALA H . 52265 1 273 . 1 . 1 159 159 ALA CA C 13 52.41 . . . . . . . . 496 ALA CA . 52265 1 274 . 1 . 1 159 159 ALA N N 15 123.11 . . . . . . . . 496 ALA N . 52265 1 275 . 1 . 1 160 160 GLU H H 1 8.77 . . . . . . . . 497 GLU H . 52265 1 276 . 1 . 1 160 160 GLU CA C 13 56.64 . . . . . . . . 497 GLU CA . 52265 1 277 . 1 . 1 160 160 GLU N N 15 119.37 . . . . . . . . 497 GLU N . 52265 1 278 . 1 . 1 161 161 ALA H H 1 8.18 . . . . . . . . 498 ALA H . 52265 1 279 . 1 . 1 161 161 ALA CA C 13 52.35 . . . . . . . . 498 ALA CA . 52265 1 280 . 1 . 1 161 161 ALA N N 15 123.75 . . . . . . . . 498 ALA N . 52265 1 281 . 1 . 1 162 162 PHE H H 1 8.03 . . . . . . . . 499 PHE H . 52265 1 282 . 1 . 1 162 162 PHE CA C 13 57.47 . . . . . . . . 499 PHE CA . 52265 1 283 . 1 . 1 162 162 PHE N N 15 117.60 . . . . . . . . 499 PHE N . 52265 1 284 . 1 . 1 163 163 GLU H H 1 8.20 . . . . . . . . 500 GLU H . 52265 1 285 . 1 . 1 163 163 GLU CA C 13 56.16 . . . . . . . . 500 GLU CA . 52265 1 286 . 1 . 1 163 163 GLU N N 15 120.96 . . . . . . . . 500 GLU N . 52265 1 287 . 1 . 1 164 164 ILE H H 1 8.16 . . . . . . . . 501 ILE H . 52265 1 288 . 1 . 1 164 164 ILE CA C 13 61.15 . . . . . . . . 501 ILE CA . 52265 1 289 . 1 . 1 164 164 ILE N N 15 121.41 . . . . . . . . 501 ILE N . 52265 1 290 . 1 . 1 165 165 GLN H H 1 8.40 . . . . . . . . 502 GLN H . 52265 1 291 . 1 . 1 165 165 GLN CA C 13 55.63 . . . . . . . . 502 GLN CA . 52265 1 292 . 1 . 1 165 165 GLN N N 15 122.75 . . . . . . . . 502 GLN N . 52265 1 293 . 1 . 1 169 169 LEU CA C 13 53.99 . . . . . . . . 506 LEU CA . 52265 1 294 . 1 . 1 170 170 ALA H H 1 7.87 . . . . . . . . 507 ALA H . 52265 1 295 . 1 . 1 170 170 ALA CA C 13 51.02 . . . . . . . . 507 ALA CA . 52265 1 296 . 1 . 1 170 170 ALA N N 15 124.03 . . . . . . . . 507 ALA N . 52265 1 297 . 1 . 1 171 171 ASN H H 1 7.88 . . . . . . . . 508 ASN H . 52265 1 298 . 1 . 1 171 171 ASN CA C 13 54.23 . . . . . . . . 508 ASN CA . 52265 1 299 . 1 . 1 171 171 ASN N N 15 115.46 . . . . . . . . 508 ASN N . 52265 1 300 . 1 . 1 172 172 GLY H H 1 10.10 . . . . . . . . 509 GLY H . 52265 1 301 . 1 . 1 172 172 GLY CA C 13 43.74 . . . . . . . . 509 GLY CA . 52265 1 302 . 1 . 1 172 172 GLY N N 15 111.36 . . . . . . . . 509 GLY N . 52265 1 303 . 1 . 1 173 173 ILE H H 1 8.41 . . . . . . . . 510 ILE H . 52265 1 304 . 1 . 1 173 173 ILE CA C 13 64.09 . . . . . . . . 510 ILE CA . 52265 1 305 . 1 . 1 173 173 ILE N N 15 119.18 . . . . . . . . 510 ILE N . 52265 1 306 . 1 . 1 175 175 MET H H 1 9.54 . . . . . . . . 512 MET H . 52265 1 307 . 1 . 1 175 175 MET CA C 13 54.64 . . . . . . . . 512 MET CA . 52265 1 308 . 1 . 1 175 175 MET N N 15 118.85 . . . . . . . . 512 MET N . 52265 1 309 . 1 . 1 176 176 LYS H H 1 8.35 . . . . . . . . 513 LYS H . 52265 1 310 . 1 . 1 176 176 LYS CA C 13 59.40 . . . . . . . . 513 LYS CA . 52265 1 311 . 1 . 1 176 176 LYS N N 15 118.31 . . . . . . . . 513 LYS N . 52265 1 312 . 1 . 1 177 177 PHE H H 1 7.23 . . . . . . . . 514 PHE H . 52265 1 313 . 1 . 1 177 177 PHE CA C 13 59.81 . . . . . . . . 514 PHE CA . 52265 1 314 . 1 . 1 177 177 PHE N N 15 113.45 . . . . . . . . 514 PHE N . 52265 1 315 . 1 . 1 178 178 LEU H H 1 8.91 . . . . . . . . 515 LEU H . 52265 1 316 . 1 . 1 178 178 LEU CA C 13 57.44 . . . . . . . . 515 LEU CA . 52265 1 317 . 1 . 1 178 178 LEU N N 15 122.22 . . . . . . . . 515 LEU N . 52265 1 318 . 1 . 1 179 179 LYS H H 1 8.70 . . . . . . . . 516 LYS H . 52265 1 319 . 1 . 1 179 179 LYS CA C 13 59.19 . . . . . . . . 516 LYS CA . 52265 1 320 . 1 . 1 179 179 LYS N N 15 115.28 . . . . . . . . 516 LYS N . 52265 1 321 . 1 . 1 180 180 ASP H H 1 6.95 . . . . . . . . 517 ASP H . 52265 1 322 . 1 . 1 180 180 ASP CA C 13 55.18 . . . . . . . . 517 ASP CA . 52265 1 323 . 1 . 1 180 180 ASP N N 15 116.29 . . . . . . . . 517 ASP N . 52265 1 324 . 1 . 1 181 181 ARG H H 1 7.49 . . . . . . . . 518 ARG H . 52265 1 325 . 1 . 1 181 181 ARG CA C 13 55.44 . . . . . . . . 518 ARG CA . 52265 1 326 . 1 . 1 181 181 ARG N N 15 115.97 . . . . . . . . 518 ARG N . 52265 1 327 . 1 . 1 182 182 LEU H H 1 7.11 . . . . . . . . 519 LEU H . 52265 1 328 . 1 . 1 182 182 LEU CA C 13 57.25 . . . . . . . . 519 LEU CA . 52265 1 329 . 1 . 1 182 182 LEU N N 15 116.44 . . . . . . . . 519 LEU N . 52265 1 330 . 1 . 1 183 183 LEU H H 1 7.88 . . . . . . . . 520 LEU H . 52265 1 331 . 1 . 1 183 183 LEU CA C 13 53.80 . . . . . . . . 520 LEU CA . 52265 1 332 . 1 . 1 183 183 LEU N N 15 111.49 . . . . . . . . 520 LEU N . 52265 1 333 . 1 . 1 184 184 GLU H H 1 7.67 . . . . . . . . 521 GLU H . 52265 1 334 . 1 . 1 184 184 GLU CA C 13 56.65 . . . . . . . . 521 GLU CA . 52265 1 335 . 1 . 1 184 184 GLU N N 15 118.44 . . . . . . . . 521 GLU N . 52265 1 336 . 1 . 1 185 185 ASP H H 1 8.50 . . . . . . . . 522 ASP H . 52265 1 337 . 1 . 1 185 185 ASP CA C 13 52.16 . . . . . . . . 522 ASP CA . 52265 1 338 . 1 . 1 185 185 ASP N N 15 122.05 . . . . . . . . 522 ASP N . 52265 1 339 . 1 . 1 186 186 LYS H H 1 7.50 . . . . . . . . 523 LYS H . 52265 1 340 . 1 . 1 186 186 LYS CA C 13 53.85 . . . . . . . . 523 LYS CA . 52265 1 341 . 1 . 1 186 186 LYS N N 15 122.43 . . . . . . . . 523 LYS N . 52265 1 342 . 1 . 1 187 187 LYS H H 1 8.68 . . . . . . . . 524 LYS H . 52265 1 343 . 1 . 1 187 187 LYS CA C 13 56.48 . . . . . . . . 524 LYS CA . 52265 1 344 . 1 . 1 187 187 LYS N N 15 121.95 . . . . . . . . 524 LYS N . 52265 1 345 . 1 . 1 188 188 ILE H H 1 8.32 . . . . . . . . 525 ILE H . 52265 1 346 . 1 . 1 188 188 ILE CA C 13 61.51 . . . . . . . . 525 ILE CA . 52265 1 347 . 1 . 1 188 188 ILE N N 15 125.06 . . . . . . . . 525 ILE N . 52265 1 348 . 1 . 1 189 189 THR H H 1 6.88 . . . . . . . . 526 THR H . 52265 1 349 . 1 . 1 189 189 THR N N 15 109.54 . . . . . . . . 526 THR N . 52265 1 350 . 1 . 1 190 190 VAL H H 1 6.86 . . . . . . . . 527 VAL H . 52265 1 351 . 1 . 1 190 190 VAL CA C 13 64.94 . . . . . . . . 527 VAL CA . 52265 1 352 . 1 . 1 190 190 VAL N N 15 123.44 . . . . . . . . 527 VAL N . 52265 1 353 . 1 . 1 191 191 LEU H H 1 7.51 . . . . . . . . 528 LEU H . 52265 1 354 . 1 . 1 191 191 LEU N N 15 120.10 . . . . . . . . 528 LEU N . 52265 1 355 . 1 . 1 192 192 LEU H H 1 8.09 . . . . . . . . 529 LEU H . 52265 1 356 . 1 . 1 192 192 LEU CA C 13 57.54 . . . . . . . . 529 LEU CA . 52265 1 357 . 1 . 1 192 192 LEU N N 15 116.03 . . . . . . . . 529 LEU N . 52265 1 358 . 1 . 1 193 193 ASP H H 1 7.98 . . . . . . . . 530 ASP H . 52265 1 359 . 1 . 1 193 193 ASP CA C 13 57.20 . . . . . . . . 530 ASP CA . 52265 1 360 . 1 . 1 193 193 ASP N N 15 120.82 . . . . . . . . 530 ASP N . 52265 1 361 . 1 . 1 194 194 GLU H H 1 8.17 . . . . . . . . 531 GLU H . 52265 1 362 . 1 . 1 194 194 GLU CA C 13 59.11 . . . . . . . . 531 GLU CA . 52265 1 363 . 1 . 1 194 194 GLU N N 15 120.72 . . . . . . . . 531 GLU N . 52265 1 364 . 1 . 1 195 195 VAL H H 1 8.00 . . . . . . . . 532 VAL H . 52265 1 365 . 1 . 1 195 195 VAL CA C 13 66.07 . . . . . . . . 532 VAL CA . 52265 1 366 . 1 . 1 195 195 VAL N N 15 120.45 . . . . . . . . 532 VAL N . 52265 1 367 . 1 . 1 196 196 ALA H H 1 8.57 . . . . . . . . 533 ALA H . 52265 1 368 . 1 . 1 196 196 ALA CA C 13 55.08 . . . . . . . . 533 ALA CA . 52265 1 369 . 1 . 1 196 196 ALA N N 15 121.43 . . . . . . . . 533 ALA N . 52265 1 370 . 1 . 1 197 197 GLU H H 1 8.11 . . . . . . . . 534 GLU H . 52265 1 371 . 1 . 1 197 197 GLU CA C 13 58.57 . . . . . . . . 534 GLU CA . 52265 1 372 . 1 . 1 197 197 GLU N N 15 120.14 . . . . . . . . 534 GLU N . 52265 1 373 . 1 . 1 198 198 ASP H H 1 8.28 . . . . . . . . 535 ASP H . 52265 1 374 . 1 . 1 198 198 ASP CA C 13 57.08 . . . . . . . . 535 ASP CA . 52265 1 375 . 1 . 1 198 198 ASP N N 15 121.78 . . . . . . . . 535 ASP N . 52265 1 376 . 1 . 1 199 199 MET H H 1 8.40 . . . . . . . . 536 MET H . 52265 1 377 . 1 . 1 199 199 MET CA C 13 58.74 . . . . . . . . 536 MET CA . 52265 1 378 . 1 . 1 199 199 MET N N 15 118.22 . . . . . . . . 536 MET N . 52265 1 379 . 1 . 1 200 200 GLY H H 1 7.93 . . . . . . . . 537 GLY H . 52265 1 380 . 1 . 1 200 200 GLY CA C 13 45.83 . . . . . . . . 537 GLY CA . 52265 1 381 . 1 . 1 200 200 GLY N N 15 105.67 . . . . . . . . 537 GLY N . 52265 1 382 . 1 . 1 201 201 LYS H H 1 9.50 . . . . . . . . 538 LYS H . 52265 1 383 . 1 . 1 201 201 LYS CA C 13 58.54 . . . . . . . . 538 LYS CA . 52265 1 384 . 1 . 1 201 201 LYS N N 15 120.42 . . . . . . . . 538 LYS N . 52265 1 385 . 1 . 1 202 202 CYS H H 1 7.38 . . . . . . . . 539 CYS H . 52265 1 386 . 1 . 1 202 202 CYS CA C 13 53.86 . . . . . . . . 539 CYS CA . 52265 1 387 . 1 . 1 202 202 CYS N N 15 114.23 . . . . . . . . 539 CYS N . 52265 1 388 . 1 . 1 203 203 HIS H H 1 7.59 . . . . . . . . 540 HIS H . 52265 1 389 . 1 . 1 203 203 HIS CA C 13 57.05 . . . . . . . . 540 HIS CA . 52265 1 390 . 1 . 1 203 203 HIS N N 15 113.33 . . . . . . . . 540 HIS N . 52265 1 391 . 1 . 1 204 204 LEU H H 1 8.07 . . . . . . . . 541 LEU H . 52265 1 392 . 1 . 1 204 204 LEU CA C 13 55.60 . . . . . . . . 541 LEU CA . 52265 1 393 . 1 . 1 204 204 LEU N N 15 120.94 . . . . . . . . 541 LEU N . 52265 1 394 . 1 . 1 208 208 LYS H H 1 8.04 . . . . . . . . 545 LYS H . 52265 1 395 . 1 . 1 208 208 LYS CA C 13 55.92 . . . . . . . . 545 LYS CA . 52265 1 396 . 1 . 1 208 208 LYS N N 15 119.17 . . . . . . . . 545 LYS N . 52265 1 397 . 1 . 1 209 209 GLN H H 1 9.72 . . . . . . . . 546 GLN H . 52265 1 398 . 1 . 1 209 209 GLN CA C 13 61.03 . . . . . . . . 546 GLN CA . 52265 1 399 . 1 . 1 209 209 GLN N N 15 116.25 . . . . . . . . 546 GLN N . 52265 1 400 . 1 . 1 211 211 LEU CA C 13 54.28 . . . . . . . . 548 LEU CA . 52265 1 401 . 1 . 1 211 211 LEU CB C 13 43.88 . . . . . . . . 548 LEU CB . 52265 1 402 . 1 . 1 212 212 ALA H H 1 8.39 . . . . . . . . 549 ALA H . 52265 1 403 . 1 . 1 212 212 ALA CA C 13 50.16 . . . . . . . . 549 ALA CA . 52265 1 404 . 1 . 1 212 212 ALA CB C 13 20.70 . . . . . . . . 549 ALA CB . 52265 1 405 . 1 . 1 212 212 ALA N N 15 129.92 . . . . . . . . 549 ALA N . 52265 1 406 . 1 . 1 213 213 ILE H H 1 8.71 . . . . . . . . 550 ILE H . 52265 1 407 . 1 . 1 213 213 ILE CA C 13 58.90 . . . . . . . . 550 ILE CA . 52265 1 408 . 1 . 1 213 213 ILE CB C 13 39.76 . . . . . . . . 550 ILE CB . 52265 1 409 . 1 . 1 213 213 ILE N N 15 121.71 . . . . . . . . 550 ILE N . 52265 1 410 . 1 . 1 214 214 ARG H H 1 9.55 . . . . . . . . 551 ARG H . 52265 1 411 . 1 . 1 214 214 ARG CA C 13 53.37 . . . . . . . . 551 ARG CA . 52265 1 412 . 1 . 1 214 214 ARG CB C 13 32.21 . . . . . . . . 551 ARG CB . 52265 1 413 . 1 . 1 214 214 ARG N N 15 127.14 . . . . . . . . 551 ARG N . 52265 1 414 . 1 . 1 215 215 SER H H 1 8.82 . . . . . . . . 552 SER H . 52265 1 415 . 1 . 1 215 215 SER CA C 13 57.05 . . . . . . . . 552 SER CA . 52265 1 416 . 1 . 1 215 215 SER N N 15 115.72 . . . . . . . . 552 SER N . 52265 1 417 . 1 . 1 221 221 ARG H H 1 7.31 . . . . . . . . 558 ARG H . 52265 1 418 . 1 . 1 221 221 ARG CA C 13 54.59 . . . . . . . . 558 ARG CA . 52265 1 419 . 1 . 1 221 221 ARG N N 15 125.03 . . . . . . . . 558 ARG N . 52265 1 420 . 1 . 1 222 222 ALA H H 1 8.83 . . . . . . . . 559 ALA H . 52265 1 421 . 1 . 1 222 222 ALA CA C 13 50.04 . . . . . . . . 559 ALA CA . 52265 1 422 . 1 . 1 222 222 ALA N N 15 124.75 . . . . . . . . 559 ALA N . 52265 1 423 . 1 . 1 223 223 LEU H H 1 10.07 . . . . . . . . 560 LEU H . 52265 1 424 . 1 . 1 223 223 LEU CA C 13 56.96 . . . . . . . . 560 LEU CA . 52265 1 425 . 1 . 1 223 223 LEU N N 15 119.54 . . . . . . . . 560 LEU N . 52265 1 426 . 1 . 1 224 224 THR H H 1 7.33 . . . . . . . . 561 THR H . 52265 1 427 . 1 . 1 224 224 THR CA C 13 60.72 . . . . . . . . 561 THR CA . 52265 1 428 . 1 . 1 224 224 THR N N 15 103.13 . . . . . . . . 561 THR N . 52265 1 429 . 1 . 1 225 225 ASP H H 1 7.77 . . . . . . . . 562 ASP H . 52265 1 430 . 1 . 1 225 225 ASP CA C 13 53.65 . . . . . . . . 562 ASP CA . 52265 1 431 . 1 . 1 225 225 ASP N N 15 126.33 . . . . . . . . 562 ASP N . 52265 1 432 . 1 . 1 226 226 PRO CA C 13 61.81 . . . . . . . . 563 PRO CA . 52265 1 433 . 1 . 1 227 227 ILE H H 1 8.22 . . . . . . . . 564 ILE H . 52265 1 434 . 1 . 1 227 227 ILE CA C 13 59.97 . . . . . . . . 564 ILE CA . 52265 1 435 . 1 . 1 227 227 ILE N N 15 118.10 . . . . . . . . 564 ILE N . 52265 1 436 . 1 . 1 228 228 GLN H H 1 8.53 . . . . . . . . 565 GLN H . 52265 1 437 . 1 . 1 228 228 GLN CA C 13 55.81 . . . . . . . . 565 GLN CA . 52265 1 438 . 1 . 1 228 228 GLN N N 15 127.28 . . . . . . . . 565 GLN N . 52265 1 439 . 1 . 1 229 229 GLY H H 1 8.60 . . . . . . . . 566 GLY H . 52265 1 440 . 1 . 1 229 229 GLY CA C 13 45.19 . . . . . . . . 566 GLY CA . 52265 1 441 . 1 . 1 229 229 GLY N N 15 111.84 . . . . . . . . 566 GLY N . 52265 1 442 . 1 . 1 230 230 THR H H 1 8.03 . . . . . . . . 567 THR H . 52265 1 443 . 1 . 1 230 230 THR CA C 13 61.81 . . . . . . . . 567 THR CA . 52265 1 444 . 1 . 1 230 230 THR N N 15 114.02 . . . . . . . . 567 THR N . 52265 1 445 . 1 . 1 234 234 ALA CA C 13 53.56 . . . . . . . . 571 ALA CA . 52265 1 446 . 1 . 1 235 235 GLU H H 1 8.49 . . . . . . . . 572 GLU H . 52265 1 447 . 1 . 1 235 235 GLU CA C 13 57.42 . . . . . . . . 572 GLU CA . 52265 1 448 . 1 . 1 235 235 GLU N N 15 117.67 . . . . . . . . 572 GLU N . 52265 1 449 . 1 . 1 236 236 SER H H 1 8.05 . . . . . . . . 573 SER H . 52265 1 450 . 1 . 1 236 236 SER CA C 13 59.16 . . . . . . . . 573 SER CA . 52265 1 451 . 1 . 1 236 236 SER N N 15 115.67 . . . . . . . . 573 SER N . 52265 1 452 . 1 . 1 237 237 LEU H H 1 8.29 . . . . . . . . 574 LEU H . 52265 1 453 . 1 . 1 237 237 LEU CA C 13 55.34 . . . . . . . . 574 LEU CA . 52265 1 454 . 1 . 1 237 237 LEU N N 15 123.88 . . . . . . . . 574 LEU N . 52265 1 455 . 1 . 1 238 238 VAL H H 1 7.75 . . . . . . . . 575 VAL H . 52265 1 456 . 1 . 1 238 238 VAL CA C 13 65.22 . . . . . . . . 575 VAL CA . 52265 1 457 . 1 . 1 238 238 VAL N N 15 119.37 . . . . . . . . 575 VAL N . 52265 1 458 . 1 . 1 239 239 ARG H H 1 8.42 . . . . . . . . 576 ARG H . 52265 1 459 . 1 . 1 239 239 ARG CA C 13 58.10 . . . . . . . . 576 ARG CA . 52265 1 460 . 1 . 1 239 239 ARG N N 15 120.01 . . . . . . . . 576 ARG N . 52265 1 461 . 1 . 1 240 240 ASN CA C 13 56.06 . . . . . . . . 577 ASN CA . 52265 1 462 . 1 . 1 241 241 LEU H H 1 8.17 . . . . . . . . 578 LEU H . 52265 1 463 . 1 . 1 241 241 LEU CA C 13 57.14 . . . . . . . . 578 LEU CA . 52265 1 464 . 1 . 1 241 241 LEU N N 15 119.99 . . . . . . . . 578 LEU N . 52265 1 465 . 1 . 1 242 242 GLN H H 1 7.98 . . . . . . . . 579 GLN H . 52265 1 466 . 1 . 1 242 242 GLN CA C 13 58.27 . . . . . . . . 579 GLN CA . 52265 1 467 . 1 . 1 242 242 GLN N N 15 117.88 . . . . . . . . 579 GLN N . 52265 1 468 . 1 . 1 243 243 TRP H H 1 8.07 . . . . . . . . 580 TRP H . 52265 1 469 . 1 . 1 243 243 TRP CA C 13 60.26 . . . . . . . . 580 TRP CA . 52265 1 470 . 1 . 1 243 243 TRP N N 15 120.92 . . . . . . . . 580 TRP N . 52265 1 471 . 1 . 1 244 244 ALA H H 1 7.94 . . . . . . . . 581 ALA H . 52265 1 472 . 1 . 1 244 244 ALA CA C 13 53.73 . . . . . . . . 581 ALA CA . 52265 1 473 . 1 . 1 244 244 ALA N N 15 116.88 . . . . . . . . 581 ALA N . 52265 1 474 . 1 . 1 245 245 LYS H H 1 7.90 . . . . . . . . 582 LYS H . 52265 1 475 . 1 . 1 245 245 LYS N N 15 116.23 . . . . . . . . 582 LYS N . 52265 1 476 . 1 . 1 246 246 ALA H H 1 7.41 . . . . . . . . 583 ALA H . 52265 1 477 . 1 . 1 246 246 ALA CA C 13 53.23 . . . . . . . . 583 ALA CA . 52265 1 478 . 1 . 1 246 246 ALA N N 15 121.51 . . . . . . . . 583 ALA N . 52265 1 479 . 1 . 1 247 247 HIS CA C 13 54.93 . . . . . . . . 584 HIS CA . 52265 1 480 . 1 . 1 248 248 GLU H H 1 7.50 . . . . . . . . 585 GLU H . 52265 1 481 . 1 . 1 248 248 GLU CA C 13 56.15 . . . . . . . . 585 GLU CA . 52265 1 482 . 1 . 1 248 248 GLU N N 15 120.06 . . . . . . . . 585 GLU N . 52265 1 483 . 1 . 1 249 249 LEU H H 1 8.45 . . . . . . . . 586 LEU H . 52265 1 484 . 1 . 1 249 249 LEU CA C 13 52.23 . . . . . . . . 586 LEU CA . 52265 1 485 . 1 . 1 249 249 LEU N N 15 126.61 . . . . . . . . 586 LEU N . 52265 1 486 . 1 . 1 250 250 PRO CA C 13 61.75 . . . . . . . . 587 PRO CA . 52265 1 487 . 1 . 1 251 251 GLU H H 1 8.17 . . . . . . . . 588 GLU H . 52265 1 488 . 1 . 1 251 251 GLU CA C 13 55.78 . . . . . . . . 588 GLU CA . 52265 1 489 . 1 . 1 251 251 GLU N N 15 120.08 . . . . . . . . 588 GLU N . 52265 1 490 . 1 . 1 252 252 SER H H 1 8.50 . . . . . . . . 589 SER H . 52265 1 491 . 1 . 1 252 252 SER CA C 13 59.02 . . . . . . . . 589 SER CA . 52265 1 492 . 1 . 1 252 252 SER N N 15 115.37 . . . . . . . . 589 SER N . 52265 1 493 . 1 . 1 253 253 MET H H 1 8.90 . . . . . . . . 590 MET H . 52265 1 494 . 1 . 1 253 253 MET CA C 13 54.33 . . . . . . . . 590 MET CA . 52265 1 495 . 1 . 1 253 253 MET N N 15 120.60 . . . . . . . . 590 MET N . 52265 1 496 . 1 . 1 254 254 CYS H H 1 8.80 . . . . . . . . 591 CYS H . 52265 1 497 . 1 . 1 254 254 CYS CA C 13 56.85 . . . . . . . . 591 CYS CA . 52265 1 498 . 1 . 1 254 254 CYS N N 15 122.29 . . . . . . . . 591 CYS N . 52265 1 499 . 1 . 1 255 255 LEU H H 1 9.47 . . . . . . . . 592 LEU H . 52265 1 500 . 1 . 1 255 255 LEU CA C 13 53.61 . . . . . . . . 592 LEU CA . 52265 1 501 . 1 . 1 255 255 LEU N N 15 128.79 . . . . . . . . 592 LEU N . 52265 1 502 . 1 . 1 256 256 LYS H H 1 8.72 . . . . . . . . 593 LYS H . 52265 1 503 . 1 . 1 256 256 LYS CA C 13 54.86 . . . . . . . . 593 LYS CA . 52265 1 504 . 1 . 1 256 256 LYS N N 15 122.82 . . . . . . . . 593 LYS N . 52265 1 505 . 1 . 1 257 257 PHE H H 1 8.69 . . . . . . . . 594 PHE H . 52265 1 506 . 1 . 1 257 257 PHE CA C 13 56.70 . . . . . . . . 594 PHE CA . 52265 1 507 . 1 . 1 257 257 PHE N N 15 124.29 . . . . . . . . 594 PHE N . 52265 1 508 . 1 . 1 258 258 ASP H H 1 9.76 . . . . . . . . 595 ASP H . 52265 1 509 . 1 . 1 258 258 ASP CA C 13 57.62 . . . . . . . . 595 ASP CA . 52265 1 510 . 1 . 1 258 258 ASP N N 15 125.42 . . . . . . . . 595 ASP N . 52265 1 511 . 1 . 1 259 259 CYS CA C 13 57.58 . . . . . . . . 596 CYS CA . 52265 1 512 . 1 . 1 260 260 GLY H H 1 8.43 . . . . . . . . 597 GLY H . 52265 1 513 . 1 . 1 260 260 GLY CA C 13 44.34 . . . . . . . . 597 GLY CA . 52265 1 514 . 1 . 1 260 260 GLY N N 15 109.61 . . . . . . . . 597 GLY N . 52265 1 515 . 1 . 1 261 261 VAL H H 1 6.90 . . . . . . . . 598 VAL H . 52265 1 516 . 1 . 1 261 261 VAL CA C 13 62.50 . . . . . . . . 598 VAL CA . 52265 1 517 . 1 . 1 261 261 VAL N N 15 120.05 . . . . . . . . 598 VAL N . 52265 1 518 . 1 . 1 262 262 GLN H H 1 8.76 . . . . . . . . 599 GLN H . 52265 1 519 . 1 . 1 262 262 GLN CA C 13 53.72 . . . . . . . . 599 GLN CA . 52265 1 520 . 1 . 1 262 262 GLN N N 15 124.21 . . . . . . . . 599 GLN N . 52265 1 521 . 1 . 1 263 263 ILE H H 1 9.26 . . . . . . . . 600 ILE H . 52265 1 522 . 1 . 1 263 263 ILE N N 15 123.08 . . . . . . . . 600 ILE N . 52265 1 523 . 1 . 1 264 264 GLN H H 1 9.38 . . . . . . . . 601 GLN H . 52265 1 524 . 1 . 1 264 264 GLN CA C 13 54.13 . . . . . . . . 601 GLN CA . 52265 1 525 . 1 . 1 264 264 GLN N N 15 126.45 . . . . . . . . 601 GLN N . 52265 1 526 . 1 . 1 265 265 LEU H H 1 9.02 . . . . . . . . 602 LEU H . 52265 1 527 . 1 . 1 265 265 LEU CA C 13 53.06 . . . . . . . . 602 LEU CA . 52265 1 528 . 1 . 1 265 265 LEU N N 15 128.74 . . . . . . . . 602 LEU N . 52265 1 529 . 1 . 1 266 266 GLY H H 1 8.12 . . . . . . . . 603 GLY H . 52265 1 530 . 1 . 1 266 266 GLY CA C 13 42.02 . . . . . . . . 603 GLY CA . 52265 1 531 . 1 . 1 266 266 GLY N N 15 110.93 . . . . . . . . 603 GLY N . 52265 1 532 . 1 . 1 267 267 PHE H H 1 7.85 . . . . . . . . 604 PHE H . 52265 1 533 . 1 . 1 267 267 PHE CA C 13 55.54 . . . . . . . . 604 PHE CA . 52265 1 534 . 1 . 1 267 267 PHE N N 15 112.94 . . . . . . . . 604 PHE N . 52265 1 535 . 1 . 1 268 268 ALA H H 1 9.44 . . . . . . . . 605 ALA H . 52265 1 536 . 1 . 1 268 268 ALA CA C 13 50.79 . . . . . . . . 605 ALA CA . 52265 1 537 . 1 . 1 268 268 ALA N N 15 123.52 . . . . . . . . 605 ALA N . 52265 1 538 . 1 . 1 269 269 ALA H H 1 9.29 . . . . . . . . 606 ALA H . 52265 1 539 . 1 . 1 269 269 ALA CA C 13 51.32 . . . . . . . . 606 ALA CA . 52265 1 540 . 1 . 1 269 269 ALA N N 15 123.13 . . . . . . . . 606 ALA N . 52265 1 541 . 1 . 1 278 278 TYR CA C 13 53.44 . . . . . . . . 615 TYR CA . 52265 1 542 . 1 . 1 279 279 THR H H 1 8.57 . . . . . . . . 616 THR H . 52265 1 543 . 1 . 1 279 279 THR CA C 13 58.53 . . . . . . . . 616 THR CA . 52265 1 544 . 1 . 1 279 279 THR N N 15 110.14 . . . . . . . . 616 THR N . 52265 1 545 . 1 . 1 280 280 SER H H 1 8.44 . . . . . . . . 617 SER H . 52265 1 546 . 1 . 1 280 280 SER CA C 13 56.56 . . . . . . . . 617 SER CA . 52265 1 547 . 1 . 1 280 280 SER N N 15 112.18 . . . . . . . . 617 SER N . 52265 1 548 . 1 . 1 281 281 ILE H H 1 8.98 . . . . . . . . 618 ILE H . 52265 1 549 . 1 . 1 281 281 ILE CA C 13 60.89 . . . . . . . . 618 ILE CA . 52265 1 550 . 1 . 1 281 281 ILE N N 15 124.18 . . . . . . . . 618 ILE N . 52265 1 551 . 1 . 1 282 282 VAL H H 1 8.48 . . . . . . . . 619 VAL H . 52265 1 552 . 1 . 1 282 282 VAL CA C 13 62.43 . . . . . . . . 619 VAL CA . 52265 1 553 . 1 . 1 282 282 VAL N N 15 125.54 . . . . . . . . 619 VAL N . 52265 1 554 . 1 . 1 283 283 TYR H H 1 7.69 . . . . . . . . 620 TYR H . 52265 1 555 . 1 . 1 283 283 TYR CA C 13 58.73 . . . . . . . . 620 TYR CA . 52265 1 556 . 1 . 1 283 283 TYR N N 15 119.33 . . . . . . . . 620 TYR N . 52265 1 557 . 1 . 1 284 284 LYS H H 1 7.63 . . . . . . . . 621 LYS H . 52265 1 558 . 1 . 1 284 284 LYS CA C 13 51.67 . . . . . . . . 621 LYS CA . 52265 1 559 . 1 . 1 284 284 LYS N N 15 126.80 . . . . . . . . 621 LYS N . 52265 1 560 . 1 . 1 286 286 PRO CA C 13 64.39 . . . . . . . . 623 PRO CA . 52265 1 561 . 1 . 1 287 287 GLU H H 1 9.34 . . . . . . . . 624 GLU H . 52265 1 562 . 1 . 1 287 287 GLU CA C 13 57.87 . . . . . . . . 624 GLU CA . 52265 1 563 . 1 . 1 287 287 GLU N N 15 115.20 . . . . . . . . 624 GLU N . 52265 1 564 . 1 . 1 288 288 ILE H H 1 7.66 . . . . . . . . 625 ILE H . 52265 1 565 . 1 . 1 288 288 ILE CA C 13 60.16 . . . . . . . . 625 ILE CA . 52265 1 566 . 1 . 1 288 288 ILE N N 15 121.11 . . . . . . . . 625 ILE N . 52265 1 567 . 1 . 1 289 289 ILE H H 1 8.24 . . . . . . . . 626 ILE H . 52265 1 568 . 1 . 1 289 289 ILE CA C 13 60.98 . . . . . . . . 626 ILE CA . 52265 1 569 . 1 . 1 289 289 ILE N N 15 123.55 . . . . . . . . 626 ILE N . 52265 1 570 . 1 . 1 290 290 MET H H 1 7.42 . . . . . . . . 627 MET H . 52265 1 571 . 1 . 1 290 290 MET CA C 13 54.49 . . . . . . . . 627 MET CA . 52265 1 572 . 1 . 1 290 290 MET N N 15 120.12 . . . . . . . . 627 MET N . 52265 1 573 . 1 . 1 291 291 CYS H H 1 8.59 . . . . . . . . 628 CYS H . 52265 1 574 . 1 . 1 291 291 CYS CA C 13 57.42 . . . . . . . . 628 CYS CA . 52265 1 575 . 1 . 1 291 291 CYS N N 15 120.46 . . . . . . . . 628 CYS N . 52265 1 576 . 1 . 1 292 292 ASP H H 1 9.04 . . . . . . . . 629 ASP H . 52265 1 577 . 1 . 1 292 292 ASP CA C 13 53.62 . . . . . . . . 629 ASP CA . 52265 1 578 . 1 . 1 292 292 ASP N N 15 124.36 . . . . . . . . 629 ASP N . 52265 1 579 . 1 . 1 293 293 ALA H H 1 8.48 . . . . . . . . 630 ALA H . 52265 1 580 . 1 . 1 293 293 ALA CA C 13 49.45 . . . . . . . . 630 ALA CA . 52265 1 581 . 1 . 1 293 293 ALA N N 15 123.60 . . . . . . . . 630 ALA N . 52265 1 582 . 1 . 1 294 294 TYR H H 1 8.55 . . . . . . . . 631 TYR H . 52265 1 583 . 1 . 1 294 294 TYR CA C 13 55.53 . . . . . . . . 631 TYR CA . 52265 1 584 . 1 . 1 294 294 TYR N N 15 118.07 . . . . . . . . 631 TYR N . 52265 1 585 . 1 . 1 295 295 VAL H H 1 9.20 . . . . . . . . 632 VAL H . 52265 1 586 . 1 . 1 295 295 VAL CA C 13 59.23 . . . . . . . . 632 VAL CA . 52265 1 587 . 1 . 1 295 295 VAL N N 15 114.38 . . . . . . . . 632 VAL N . 52265 1 588 . 1 . 1 296 296 THR H H 1 9.08 . . . . . . . . 633 THR H . 52265 1 589 . 1 . 1 296 296 THR CA C 13 59.55 . . . . . . . . 633 THR CA . 52265 1 590 . 1 . 1 296 296 THR N N 15 116.29 . . . . . . . . 633 THR N . 52265 1 591 . 1 . 1 297 297 ASP H H 1 8.48 . . . . . . . . 634 ASP H . 52265 1 592 . 1 . 1 297 297 ASP CA C 13 55.04 . . . . . . . . 634 ASP CA . 52265 1 593 . 1 . 1 297 297 ASP N N 15 116.68 . . . . . . . . 634 ASP N . 52265 1 594 . 1 . 1 298 298 PHE H H 1 7.89 . . . . . . . . 635 PHE H . 52265 1 595 . 1 . 1 298 298 PHE CA C 13 57.76 . . . . . . . . 635 PHE CA . 52265 1 596 . 1 . 1 298 298 PHE N N 15 115.34 . . . . . . . . 635 PHE N . 52265 1 597 . 1 . 1 299 299 PRO CA C 13 63.26 . . . . . . . . 636 PRO CA . 52265 1 598 . 1 . 1 300 300 LEU H H 1 8.97 . . . . . . . . 637 LEU H . 52265 1 599 . 1 . 1 300 300 LEU CA C 13 57.63 . . . . . . . . 637 LEU CA . 52265 1 600 . 1 . 1 300 300 LEU N N 15 127.21 . . . . . . . . 637 LEU N . 52265 1 601 . 1 . 1 301 301 ASP H H 1 8.62 . . . . . . . . 638 ASP H . 52265 1 602 . 1 . 1 301 301 ASP CA C 13 55.90 . . . . . . . . 638 ASP CA . 52265 1 603 . 1 . 1 301 301 ASP N N 15 115.52 . . . . . . . . 638 ASP N . 52265 1 604 . 1 . 1 302 302 LEU H H 1 7.36 . . . . . . . . 639 LEU H . 52265 1 605 . 1 . 1 302 302 LEU CA C 13 54.73 . . . . . . . . 639 LEU CA . 52265 1 606 . 1 . 1 302 302 LEU N N 15 112.31 . . . . . . . . 639 LEU N . 52265 1 607 . 1 . 1 303 303 ASP H H 1 7.85 . . . . . . . . 640 ASP H . 52265 1 608 . 1 . 1 303 303 ASP CA C 13 54.34 . . . . . . . . 640 ASP CA . 52265 1 609 . 1 . 1 303 303 ASP N N 15 118.24 . . . . . . . . 640 ASP N . 52265 1 610 . 1 . 1 304 304 ILE H H 1 8.49 . . . . . . . . 641 ILE H . 52265 1 611 . 1 . 1 304 304 ILE CA C 13 58.60 . . . . . . . . 641 ILE CA . 52265 1 612 . 1 . 1 304 304 ILE N N 15 118.83 . . . . . . . . 641 ILE N . 52265 1 613 . 1 . 1 305 305 ASP H H 1 9.09 . . . . . . . . 642 ASP H . 52265 1 614 . 1 . 1 305 305 ASP CA C 13 50.55 . . . . . . . . 642 ASP CA . 52265 1 615 . 1 . 1 305 305 ASP N N 15 131.85 . . . . . . . . 642 ASP N . 52265 1 616 . 1 . 1 306 306 PRO CA C 13 64.45 . . . . . . . . 643 PRO CA . 52265 1 617 . 1 . 1 307 307 LYS H H 1 8.79 . . . . . . . . 644 LYS H . 52265 1 618 . 1 . 1 307 307 LYS CA C 13 58.13 . . . . . . . . 644 LYS CA . 52265 1 619 . 1 . 1 307 307 LYS N N 15 117.40 . . . . . . . . 644 LYS N . 52265 1 620 . 1 . 1 308 308 ASP H H 1 8.29 . . . . . . . . 645 ASP H . 52265 1 621 . 1 . 1 308 308 ASP CA C 13 54.30 . . . . . . . . 645 ASP CA . 52265 1 622 . 1 . 1 308 308 ASP N N 15 117.46 . . . . . . . . 645 ASP N . 52265 1 623 . 1 . 1 309 309 ALA H H 1 7.34 . . . . . . . . 646 ALA H . 52265 1 624 . 1 . 1 309 309 ALA CA C 13 50.38 . . . . . . . . 646 ALA CA . 52265 1 625 . 1 . 1 309 309 ALA N N 15 122.04 . . . . . . . . 646 ALA N . 52265 1 626 . 1 . 1 310 310 ASN H H 1 8.63 . . . . . . . . 647 ASN H . 52265 1 627 . 1 . 1 310 310 ASN CA C 13 54.61 . . . . . . . . 647 ASN CA . 52265 1 628 . 1 . 1 310 310 ASN N N 15 113.93 . . . . . . . . 647 ASN N . 52265 1 629 . 1 . 1 311 311 LYS H H 1 9.05 . . . . . . . . 648 LYS H . 52265 1 630 . 1 . 1 311 311 LYS CA C 13 52.40 . . . . . . . . 648 LYS CA . 52265 1 631 . 1 . 1 311 311 LYS N N 15 116.17 . . . . . . . . 648 LYS N . 52265 1 632 . 1 . 1 312 312 GLY H H 1 9.44 . . . . . . . . 649 GLY H . 52265 1 633 . 1 . 1 312 312 GLY CA C 13 45.65 . . . . . . . . 649 GLY CA . 52265 1 634 . 1 . 1 312 312 GLY N N 15 105.96 . . . . . . . . 649 GLY N . 52265 1 635 . 1 . 1 313 313 THR H H 1 7.36 . . . . . . . . 650 THR H . 52265 1 636 . 1 . 1 313 313 THR CA C 13 58.36 . . . . . . . . 650 THR CA . 52265 1 637 . 1 . 1 313 313 THR N N 15 107.66 . . . . . . . . 650 THR N . 52265 1 638 . 1 . 1 314 314 PRO CA C 13 63.65 . . . . . . . . 651 PRO CA . 52265 1 639 . 1 . 1 315 315 GLU H H 1 10.05 . . . . . . . . 652 GLU H . 52265 1 640 . 1 . 1 315 315 GLU CA C 13 60.96 . . . . . . . . 652 GLU CA . 52265 1 641 . 1 . 1 315 315 GLU N N 15 122.94 . . . . . . . . 652 GLU N . 52265 1 642 . 1 . 1 316 316 GLU H H 1 7.40 . . . . . . . . 653 GLU H . 52265 1 643 . 1 . 1 316 316 GLU CA C 13 58.39 . . . . . . . . 653 GLU CA . 52265 1 644 . 1 . 1 316 316 GLU N N 15 117.81 . . . . . . . . 653 GLU N . 52265 1 645 . 1 . 1 317 317 THR H H 1 7.57 . . . . . . . . 654 THR H . 52265 1 646 . 1 . 1 317 317 THR CA C 13 61.30 . . . . . . . . 654 THR CA . 52265 1 647 . 1 . 1 317 317 THR N N 15 108.11 . . . . . . . . 654 THR N . 52265 1 648 . 1 . 1 318 318 GLY H H 1 7.69 . . . . . . . . 655 GLY H . 52265 1 649 . 1 . 1 318 318 GLY CA C 13 44.12 . . . . . . . . 655 GLY CA . 52265 1 650 . 1 . 1 318 318 GLY N N 15 106.99 . . . . . . . . 655 GLY N . 52265 1 651 . 1 . 1 319 319 SER H H 1 6.84 . . . . . . . . 656 SER H . 52265 1 652 . 1 . 1 319 319 SER CA C 13 55.52 . . . . . . . . 656 SER CA . 52265 1 653 . 1 . 1 319 319 SER N N 15 114.79 . . . . . . . . 656 SER N . 52265 1 654 . 1 . 1 320 320 TYR H H 1 9.51 . . . . . . . . 657 TYR H . 52265 1 655 . 1 . 1 320 320 TYR CA C 13 57.46 . . . . . . . . 657 TYR CA . 52265 1 656 . 1 . 1 320 320 TYR N N 15 123.12 . . . . . . . . 657 TYR N . 52265 1 657 . 1 . 1 321 321 LEU H H 1 7.95 . . . . . . . . 658 LEU H . 52265 1 658 . 1 . 1 321 321 LEU CA C 13 56.06 . . . . . . . . 658 LEU CA . 52265 1 659 . 1 . 1 321 321 LEU N N 15 119.36 . . . . . . . . 658 LEU N . 52265 1 660 . 1 . 1 322 322 VAL H H 1 8.48 . . . . . . . . 659 VAL H . 52265 1 661 . 1 . 1 322 322 VAL CA C 13 60.10 . . . . . . . . 659 VAL CA . 52265 1 662 . 1 . 1 322 322 VAL N N 15 113.03 . . . . . . . . 659 VAL N . 52265 1 663 . 1 . 1 324 324 LYS CA C 13 57.72 . . . . . . . . 661 LYS CA . 52265 1 664 . 1 . 1 325 325 ASP H H 1 7.88 . . . . . . . . 662 ASP H . 52265 1 665 . 1 . 1 325 325 ASP CA C 13 54.21 . . . . . . . . 662 ASP CA . 52265 1 666 . 1 . 1 325 325 ASP N N 15 117.68 . . . . . . . . 662 ASP N . 52265 1 667 . 1 . 1 326 326 LEU H H 1 7.14 . . . . . . . . 663 LEU H . 52265 1 668 . 1 . 1 326 326 LEU CA C 13 51.74 . . . . . . . . 663 LEU CA . 52265 1 669 . 1 . 1 326 326 LEU N N 15 120.37 . . . . . . . . 663 LEU N . 52265 1 670 . 1 . 1 327 327 PRO CA C 13 62.22 . . . . . . . . 664 PRO CA . 52265 1 671 . 1 . 1 328 328 LYS H H 1 8.50 . . . . . . . . 665 LYS H . 52265 1 672 . 1 . 1 328 328 LYS CA C 13 55.30 . . . . . . . . 665 LYS CA . 52265 1 673 . 1 . 1 328 328 LYS N N 15 120.96 . . . . . . . . 665 LYS N . 52265 1 674 . 1 . 1 329 329 HIS H H 1 8.83 . . . . . . . . 666 HIS H . 52265 1 675 . 1 . 1 329 329 HIS CA C 13 56.39 . . . . . . . . 666 HIS CA . 52265 1 676 . 1 . 1 329 329 HIS N N 15 112.34 . . . . . . . . 666 HIS N . 52265 1 677 . 1 . 1 330 330 CYS H H 1 7.30 . . . . . . . . 667 CYS H . 52265 1 678 . 1 . 1 330 330 CYS CA C 13 57.46 . . . . . . . . 667 CYS CA . 52265 1 679 . 1 . 1 330 330 CYS N N 15 116.54 . . . . . . . . 667 CYS N . 52265 1 680 . 1 . 1 331 331 LEU H H 1 7.66 . . . . . . . . 668 LEU H . 52265 1 681 . 1 . 1 331 331 LEU CA C 13 53.56 . . . . . . . . 668 LEU CA . 52265 1 682 . 1 . 1 331 331 LEU N N 15 115.90 . . . . . . . . 668 LEU N . 52265 1 683 . 1 . 1 332 332 TYR H H 1 9.44 . . . . . . . . 669 TYR H . 52265 1 684 . 1 . 1 332 332 TYR CA C 13 57.21 . . . . . . . . 669 TYR CA . 52265 1 685 . 1 . 1 332 332 TYR N N 15 119.17 . . . . . . . . 669 TYR N . 52265 1 686 . 1 . 1 333 333 THR H H 1 8.97 . . . . . . . . 670 THR H . 52265 1 687 . 1 . 1 333 333 THR CA C 13 62.81 . . . . . . . . 670 THR CA . 52265 1 688 . 1 . 1 333 333 THR N N 15 117.40 . . . . . . . . 670 THR N . 52265 1 689 . 1 . 1 334 334 ARG H H 1 9.33 . . . . . . . . 671 ARG H . 52265 1 690 . 1 . 1 334 334 ARG CA C 13 54.95 . . . . . . . . 671 ARG CA . 52265 1 691 . 1 . 1 334 334 ARG N N 15 129.15 . . . . . . . . 671 ARG N . 52265 1 692 . 1 . 1 335 335 LEU H H 1 9.48 . . . . . . . . 672 LEU H . 52265 1 693 . 1 . 1 335 335 LEU CA C 13 53.00 . . . . . . . . 672 LEU CA . 52265 1 694 . 1 . 1 335 335 LEU N N 15 128.89 . . . . . . . . 672 LEU N . 52265 1 695 . 1 . 1 336 336 SER H H 1 8.21 . . . . . . . . 673 SER H . 52265 1 696 . 1 . 1 336 336 SER CA C 13 57.23 . . . . . . . . 673 SER CA . 52265 1 697 . 1 . 1 336 336 SER N N 15 116.12 . . . . . . . . 673 SER N . 52265 1 698 . 1 . 1 337 337 SER H H 1 8.15 . . . . . . . . 674 SER H . 52265 1 699 . 1 . 1 337 337 SER CA C 13 56.71 . . . . . . . . 674 SER CA . 52265 1 700 . 1 . 1 337 337 SER N N 15 108.31 . . . . . . . . 674 SER N . 52265 1 701 . 1 . 1 338 338 LEU H H 1 8.15 . . . . . . . . 675 LEU H . 52265 1 702 . 1 . 1 338 338 LEU CA C 13 57.36 . . . . . . . . 675 LEU CA . 52265 1 703 . 1 . 1 338 338 LEU N N 15 115.39 . . . . . . . . 675 LEU N . 52265 1 704 . 1 . 1 339 339 GLN H H 1 10.05 . . . . . . . . 676 GLN H . 52265 1 705 . 1 . 1 339 339 GLN CA C 13 57.12 . . . . . . . . 676 GLN CA . 52265 1 706 . 1 . 1 339 339 GLN N N 15 117.87 . . . . . . . . 676 GLN N . 52265 1 707 . 1 . 1 340 340 LYS H H 1 8.22 . . . . . . . . 677 LYS H . 52265 1 708 . 1 . 1 340 340 LYS CA C 13 56.45 . . . . . . . . 677 LYS CA . 52265 1 709 . 1 . 1 340 340 LYS N N 15 120.46 . . . . . . . . 677 LYS N . 52265 1 710 . 1 . 1 341 341 LEU H H 1 7.24 . . . . . . . . 678 LEU H . 52265 1 711 . 1 . 1 341 341 LEU CA C 13 55.04 . . . . . . . . 678 LEU CA . 52265 1 712 . 1 . 1 341 341 LEU N N 15 117.80 . . . . . . . . 678 LEU N . 52265 1 713 . 1 . 1 342 342 LYS H H 1 9.29 . . . . . . . . 679 LYS H . 52265 1 714 . 1 . 1 342 342 LYS CA C 13 56.49 . . . . . . . . 679 LYS CA . 52265 1 715 . 1 . 1 342 342 LYS N N 15 127.00 . . . . . . . . 679 LYS N . 52265 1 716 . 1 . 1 343 343 GLU H H 1 7.59 . . . . . . . . 680 GLU H . 52265 1 717 . 1 . 1 343 343 GLU CA C 13 53.95 . . . . . . . . 680 GLU CA . 52265 1 718 . 1 . 1 343 343 GLU N N 15 117.93 . . . . . . . . 680 GLU N . 52265 1 719 . 1 . 1 344 344 HIS H H 1 7.92 . . . . . . . . 681 HIS H . 52265 1 720 . 1 . 1 344 344 HIS CA C 13 55.48 . . . . . . . . 681 HIS CA . 52265 1 721 . 1 . 1 344 344 HIS N N 15 115.75 . . . . . . . . 681 HIS N . 52265 1 722 . 1 . 1 345 345 LEU H H 1 9.39 . . . . . . . . 682 LEU H . 52265 1 723 . 1 . 1 345 345 LEU CA C 13 55.16 . . . . . . . . 682 LEU CA . 52265 1 724 . 1 . 1 345 345 LEU N N 15 123.07 . . . . . . . . 682 LEU N . 52265 1 725 . 1 . 1 346 346 VAL H H 1 6.96 . . . . . . . . 683 VAL H . 52265 1 726 . 1 . 1 346 346 VAL CA C 13 59.13 . . . . . . . . 683 VAL CA . 52265 1 727 . 1 . 1 346 346 VAL N N 15 129.22 . . . . . . . . 683 VAL N . 52265 1 728 . 1 . 1 350 350 CYS CA C 13 56.56 . . . . . . . . 687 CYS CA . 52265 1 729 . 1 . 1 351 351 LEU H H 1 8.88 . . . . . . . . 688 LEU H . 52265 1 730 . 1 . 1 351 351 LEU CA C 13 52.58 . . . . . . . . 688 LEU CA . 52265 1 731 . 1 . 1 351 351 LEU N N 15 125.12 . . . . . . . . 688 LEU N . 52265 1 732 . 1 . 1 352 352 SER H H 1 8.92 . . . . . . . . 689 SER H . 52265 1 733 . 1 . 1 352 352 SER CA C 13 55.92 . . . . . . . . 689 SER CA . 52265 1 734 . 1 . 1 352 352 SER N N 15 121.39 . . . . . . . . 689 SER N . 52265 1 735 . 1 . 1 353 353 TYR H H 1 9.34 . . . . . . . . 690 TYR H . 52265 1 736 . 1 . 1 353 353 TYR CA C 13 55.54 . . . . . . . . 690 TYR CA . 52265 1 737 . 1 . 1 353 353 TYR N N 15 121.84 . . . . . . . . 690 TYR N . 52265 1 738 . 1 . 1 354 354 GLN H H 1 8.01 . . . . . . . . 691 GLN H . 52265 1 739 . 1 . 1 354 354 GLN CA C 13 53.70 . . . . . . . . 691 GLN CA . 52265 1 740 . 1 . 1 354 354 GLN N N 15 116.76 . . . . . . . . 691 GLN N . 52265 1 741 . 1 . 1 355 355 TYR H H 1 9.28 . . . . . . . . 692 TYR H . 52265 1 742 . 1 . 1 355 355 TYR CA C 13 57.95 . . . . . . . . 692 TYR CA . 52265 1 743 . 1 . 1 355 355 TYR N N 15 124.56 . . . . . . . . 692 TYR N . 52265 1 744 . 1 . 1 356 356 SER H H 1 8.77 . . . . . . . . 693 SER H . 52265 1 745 . 1 . 1 356 356 SER CA C 13 59.19 . . . . . . . . 693 SER CA . 52265 1 746 . 1 . 1 356 356 SER N N 15 114.31 . . . . . . . . 693 SER N . 52265 1 747 . 1 . 1 357 357 GLY H H 1 8.86 . . . . . . . . 694 GLY H . 52265 1 748 . 1 . 1 357 357 GLY CA C 13 45.10 . . . . . . . . 694 GLY CA . 52265 1 749 . 1 . 1 357 357 GLY N N 15 114.29 . . . . . . . . 694 GLY N . 52265 1 750 . 1 . 1 358 358 LEU H H 1 7.83 . . . . . . . . 695 LEU H . 52265 1 751 . 1 . 1 358 358 LEU CA C 13 53.63 . . . . . . . . 695 LEU CA . 52265 1 752 . 1 . 1 358 358 LEU N N 15 121.18 . . . . . . . . 695 LEU N . 52265 1 753 . 1 . 1 359 359 GLU H H 1 8.67 . . . . . . . . 696 GLU H . 52265 1 754 . 1 . 1 359 359 GLU CA C 13 56.81 . . . . . . . . 696 GLU CA . 52265 1 755 . 1 . 1 359 359 GLU N N 15 120.20 . . . . . . . . 696 GLU N . 52265 1 756 . 1 . 1 360 360 ASP H H 1 7.71 . . . . . . . . 697 ASP H . 52265 1 757 . 1 . 1 360 360 ASP CA C 13 53.78 . . . . . . . . 697 ASP CA . 52265 1 758 . 1 . 1 360 360 ASP N N 15 117.60 . . . . . . . . 697 ASP N . 52265 1 759 . 1 . 1 361 361 THR H H 1 8.41 . . . . . . . . 698 THR H . 52265 1 760 . 1 . 1 361 361 THR CA C 13 62.05 . . . . . . . . 698 THR CA . 52265 1 761 . 1 . 1 361 361 THR N N 15 116.38 . . . . . . . . 698 THR N . 52265 1 762 . 1 . 1 362 362 VAL H H 1 9.00 . . . . . . . . 699 VAL H . 52265 1 763 . 1 . 1 362 362 VAL CA C 13 60.73 . . . . . . . . 699 VAL CA . 52265 1 764 . 1 . 1 362 362 VAL N N 15 127.87 . . . . . . . . 699 VAL N . 52265 1 765 . 1 . 1 363 363 GLU H H 1 8.03 . . . . . . . . 700 GLU H . 52265 1 766 . 1 . 1 363 363 GLU CA C 13 53.85 . . . . . . . . 700 GLU CA . 52265 1 767 . 1 . 1 363 363 GLU N N 15 121.28 . . . . . . . . 700 GLU N . 52265 1 768 . 1 . 1 364 364 ASP H H 1 9.27 . . . . . . . . 701 ASP H . 52265 1 769 . 1 . 1 364 364 ASP CA C 13 52.36 . . . . . . . . 701 ASP CA . 52265 1 770 . 1 . 1 364 364 ASP N N 15 123.19 . . . . . . . . 701 ASP N . 52265 1 771 . 1 . 1 365 365 LYS H H 1 8.96 . . . . . . . . 702 LYS H . 52265 1 772 . 1 . 1 365 365 LYS CA C 13 55.36 . . . . . . . . 702 LYS CA . 52265 1 773 . 1 . 1 365 365 LYS N N 15 120.00 . . . . . . . . 702 LYS N . 52265 1 774 . 1 . 1 366 366 GLN H H 1 8.93 . . . . . . . . 703 GLN H . 52265 1 775 . 1 . 1 366 366 GLN CA C 13 54.67 . . . . . . . . 703 GLN CA . 52265 1 776 . 1 . 1 366 366 GLN N N 15 118.99 . . . . . . . . 703 GLN N . 52265 1 777 . 1 . 1 367 367 GLU H H 1 8.65 . . . . . . . . 704 GLU H . 52265 1 778 . 1 . 1 367 367 GLU CA C 13 55.73 . . . . . . . . 704 GLU CA . 52265 1 779 . 1 . 1 367 367 GLU N N 15 124.40 . . . . . . . . 704 GLU N . 52265 1 780 . 1 . 1 368 368 VAL H H 1 8.98 . . . . . . . . 705 VAL H . 52265 1 781 . 1 . 1 368 368 VAL CA C 13 60.17 . . . . . . . . 705 VAL CA . 52265 1 782 . 1 . 1 368 368 VAL N N 15 124.00 . . . . . . . . 705 VAL N . 52265 1 783 . 1 . 1 369 369 ASN H H 1 8.24 . . . . . . . . 706 ASN H . 52265 1 784 . 1 . 1 369 369 ASN CA C 13 50.73 . . . . . . . . 706 ASN CA . 52265 1 785 . 1 . 1 369 369 ASN N N 15 121.31 . . . . . . . . 706 ASN N . 52265 1 786 . 1 . 1 370 370 VAL H H 1 8.49 . . . . . . . . 707 VAL H . 52265 1 787 . 1 . 1 370 370 VAL CA C 13 58.93 . . . . . . . . 707 VAL CA . 52265 1 788 . 1 . 1 370 370 VAL N N 15 116.68 . . . . . . . . 707 VAL N . 52265 1 789 . 1 . 1 371 371 GLY H H 1 8.68 . . . . . . . . 708 GLY H . 52265 1 790 . 1 . 1 371 371 GLY CA C 13 45.54 . . . . . . . . 708 GLY CA . 52265 1 791 . 1 . 1 371 371 GLY N N 15 109.82 . . . . . . . . 708 GLY N . 52265 1 792 . 1 . 1 372 372 LYS H H 1 8.61 . . . . . . . . 709 LYS H . 52265 1 793 . 1 . 1 372 372 LYS CA C 13 52.73 . . . . . . . . 709 LYS CA . 52265 1 794 . 1 . 1 372 372 LYS N N 15 124.43 . . . . . . . . 709 LYS N . 52265 1 795 . 1 . 1 373 373 PRO CA C 13 61.21 . . . . . . . . 710 PRO CA . 52265 1 796 . 1 . 1 374 374 LEU H H 1 8.75 . . . . . . . . 711 LEU H . 52265 1 797 . 1 . 1 374 374 LEU CA C 13 55.59 . . . . . . . . 711 LEU CA . 52265 1 798 . 1 . 1 374 374 LEU N N 15 116.78 . . . . . . . . 711 LEU N . 52265 1 799 . 1 . 1 375 375 ILE CA C 13 58.62 . . . . . . . . 712 ILE CA . 52265 1 800 . 1 . 1 376 376 ALA H H 1 8.49 . . . . . . . . 713 ALA H . 52265 1 801 . 1 . 1 376 376 ALA CA C 13 53.39 . . . . . . . . 713 ALA CA . 52265 1 802 . 1 . 1 376 376 ALA N N 15 125.22 . . . . . . . . 713 ALA N . 52265 1 803 . 1 . 1 377 377 LYS H H 1 7.61 . . . . . . . . 714 LYS H . 52265 1 804 . 1 . 1 377 377 LYS CA C 13 57.64 . . . . . . . . 714 LYS CA . 52265 1 805 . 1 . 1 377 377 LYS N N 15 115.59 . . . . . . . . 714 LYS N . 52265 1 806 . 1 . 1 378 378 LEU H H 1 7.72 . . . . . . . . 715 LEU H . 52265 1 807 . 1 . 1 378 378 LEU CA C 13 55.27 . . . . . . . . 715 LEU CA . 52265 1 808 . 1 . 1 378 378 LEU N N 15 117.05 . . . . . . . . 715 LEU N . 52265 1 809 . 1 . 1 379 379 ASP H H 1 7.88 . . . . . . . . 716 ASP H . 52265 1 810 . 1 . 1 379 379 ASP CA C 13 54.39 . . . . . . . . 716 ASP CA . 52265 1 811 . 1 . 1 379 379 ASP N N 15 117.74 . . . . . . . . 716 ASP N . 52265 1 812 . 1 . 1 380 380 MET H H 1 8.96 . . . . . . . . 717 MET H . 52265 1 813 . 1 . 1 380 380 MET CA C 13 58.05 . . . . . . . . 717 MET CA . 52265 1 814 . 1 . 1 380 380 MET N N 15 118.08 . . . . . . . . 717 MET N . 52265 1 815 . 1 . 1 381 381 HIS H H 1 7.88 . . . . . . . . 718 HIS H . 52265 1 816 . 1 . 1 381 381 HIS CA C 13 55.97 . . . . . . . . 718 HIS CA . 52265 1 817 . 1 . 1 381 381 HIS N N 15 114.75 . . . . . . . . 718 HIS N . 52265 1 818 . 1 . 1 382 382 ARG H H 1 7.41 . . . . . . . . 719 ARG H . 52265 1 819 . 1 . 1 382 382 ARG CA C 13 56.20 . . . . . . . . 719 ARG CA . 52265 1 820 . 1 . 1 382 382 ARG N N 15 119.48 . . . . . . . . 719 ARG N . 52265 1 stop_ save_