data_31301 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31301 _Entry.Title ; SSNMR Structure of Anti-necroptosis Viral: Human Functional Hetero-amyloid M45:RIPK3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-04-09 _Entry.Accession_date 2026-04-09 _Entry.Last_release_date 2026-04-24 _Entry.Original_release_date 2026-04-24 _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 'SOLID-STATE NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. He C. . . . 31301 2 N. Varghese N. R. . . 31301 3 E. Keeler E. G. . . 31301 4 C. Pham C. L. . . 31301 5 T. Xie T. . . . 31301 6 B. Williams B. . . . 31301 7 S. Tetter S. . . . 31301 8 C. Semaan C. . . . 31301 9 K. Wilde K. L. . . 31301 10 S. Brown S. H.J. . . 31301 11 J. Bouwer J. C. . . 31301 12 Y. Gambin Y. . . . 31301 13 E. Sierecki E. . . . 31301 14 M. Steain M. . . . 31301 15 R. Zhou R. . . . 31301 16 M. Sunde M. . . . 31301 17 A. McDermott A. E. . . 31301 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MCMV . 31301 'PROTEIN FIBRIL' . 31301 RIPK3 . 31301 hetero-amyloid . 31301 necroptosis . 31301 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31301 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 222 31301 '15N chemical shifts' 55 31301 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-04-29 . original BMRB . 31301 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 12KL 'BMRB Entry Tracking System' 31301 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31301 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Studies of an Anti-necroptosis Viral: Human Functional Hetero-amyloid M45:RIPK3 using SSNMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. He C. . . . 31301 1 2 N. Varghese N. R. . . 31301 1 3 E. Keeler E. G. . . 31301 1 4 C. Pham C. L.L. . . 31301 1 5 T. Xie T. . . . 31301 1 6 B. Williams B. . . . 31301 1 7 S. Tetter S. . . . 31301 1 8 C. Seaman C. . . . 31301 1 9 K. Wilde K. L. . . 31301 1 10 S. Brown S. H.J. . . 31301 1 11 J. Bouwer J. C. . . 31301 1 12 Y. Gambin Y. . . . 31301 1 13 E. Sierecki E. . . . 31301 1 14 M. Steain M. . . . 31301 1 15 R. Zhou R. . . . 31301 1 16 M. Sunde M. . . . 31301 1 17 A. McDermott A. E. . . 31301 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31301 _Assembly.ID 1 _Assembly.Name 'Human Functional Hetero-amyloid M45:RIPK3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Receptor-interacting serine/threonine-protein kinase 3 (E.C.2.7.11.1), Ribonucleoside-diphosphate reductase large subunit-like protein ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31301 1 2 unit_2 1 $entity_1 C C yes . . . . . . 31301 1 3 unit_3 1 $entity_1 E E yes . . . . . . 31301 1 4 unit_4 1 $entity_1 G G yes . . . . . . 31301 1 5 unit_5 2 $entity_2 B B yes . . . . . . 31301 1 6 unit_6 2 $entity_2 D D yes . . . . . . 31301 1 7 unit_7 2 $entity_2 F F yes . . . . . . 31301 1 8 unit_8 2 $entity_2 H H yes . . . . . . 31301 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31301 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,C,E,G _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSSDSMAQPPQTPETSTFR NQMPSPTSTGTPSPGPRGNQ GAERQGMNWSCRTPEPNPVT GRPLVNIYNCSGVQVGDNNY LTMQQTTALPTWGLAPSGKG RGLQHPPPVGSQEGPKDPEA WSRPQGWYNHSGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.11.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14196.481 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RIP-3 common 31301 1 'RIP-like protein kinase 3' common 31301 1 'Receptor-interacting protein 3' common 31301 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 386 GLY . 31301 1 2 387 SER . 31301 1 3 388 SER . 31301 1 4 389 SER . 31301 1 5 390 ASP . 31301 1 6 391 SER . 31301 1 7 392 MET . 31301 1 8 393 ALA . 31301 1 9 394 GLN . 31301 1 10 395 PRO . 31301 1 11 396 PRO . 31301 1 12 397 GLN . 31301 1 13 398 THR . 31301 1 14 399 PRO . 31301 1 15 400 GLU . 31301 1 16 401 THR . 31301 1 17 402 SER . 31301 1 18 403 THR . 31301 1 19 404 PHE . 31301 1 20 405 ARG . 31301 1 21 406 ASN . 31301 1 22 407 GLN . 31301 1 23 408 MET . 31301 1 24 409 PRO . 31301 1 25 410 SER . 31301 1 26 411 PRO . 31301 1 27 412 THR . 31301 1 28 413 SER . 31301 1 29 414 THR . 31301 1 30 415 GLY . 31301 1 31 416 THR . 31301 1 32 417 PRO . 31301 1 33 418 SER . 31301 1 34 419 PRO . 31301 1 35 420 GLY . 31301 1 36 421 PRO . 31301 1 37 422 ARG . 31301 1 38 423 GLY . 31301 1 39 424 ASN . 31301 1 40 425 GLN . 31301 1 41 426 GLY . 31301 1 42 427 ALA . 31301 1 43 428 GLU . 31301 1 44 429 ARG . 31301 1 45 430 GLN . 31301 1 46 431 GLY . 31301 1 47 432 MET . 31301 1 48 433 ASN . 31301 1 49 434 TRP . 31301 1 50 435 SER . 31301 1 51 436 CYS . 31301 1 52 437 ARG . 31301 1 53 438 THR . 31301 1 54 439 PRO . 31301 1 55 440 GLU . 31301 1 56 441 PRO . 31301 1 57 442 ASN . 31301 1 58 443 PRO . 31301 1 59 444 VAL . 31301 1 60 445 THR . 31301 1 61 446 GLY . 31301 1 62 447 ARG . 31301 1 63 448 PRO . 31301 1 64 449 LEU . 31301 1 65 450 VAL . 31301 1 66 451 ASN . 31301 1 67 452 ILE . 31301 1 68 453 TYR . 31301 1 69 454 ASN . 31301 1 70 455 CYS . 31301 1 71 456 SER . 31301 1 72 457 GLY . 31301 1 73 458 VAL . 31301 1 74 459 GLN . 31301 1 75 460 VAL . 31301 1 76 461 GLY . 31301 1 77 462 ASP . 31301 1 78 463 ASN . 31301 1 79 464 ASN . 31301 1 80 465 TYR . 31301 1 81 466 LEU . 31301 1 82 467 THR . 31301 1 83 468 MET . 31301 1 84 469 GLN . 31301 1 85 470 GLN . 31301 1 86 471 THR . 31301 1 87 472 THR . 31301 1 88 473 ALA . 31301 1 89 474 LEU . 31301 1 90 475 PRO . 31301 1 91 476 THR . 31301 1 92 477 TRP . 31301 1 93 478 GLY . 31301 1 94 479 LEU . 31301 1 95 480 ALA . 31301 1 96 481 PRO . 31301 1 97 482 SER . 31301 1 98 483 GLY . 31301 1 99 484 LYS . 31301 1 100 485 GLY . 31301 1 101 486 ARG . 31301 1 102 487 GLY . 31301 1 103 488 LEU . 31301 1 104 489 GLN . 31301 1 105 490 HIS . 31301 1 106 491 PRO . 31301 1 107 492 PRO . 31301 1 108 493 PRO . 31301 1 109 494 VAL . 31301 1 110 495 GLY . 31301 1 111 496 SER . 31301 1 112 497 GLN . 31301 1 113 498 GLU . 31301 1 114 499 GLY . 31301 1 115 500 PRO . 31301 1 116 501 LYS . 31301 1 117 502 ASP . 31301 1 118 503 PRO . 31301 1 119 504 GLU . 31301 1 120 505 ALA . 31301 1 121 506 TRP . 31301 1 122 507 SER . 31301 1 123 508 ARG . 31301 1 124 509 PRO . 31301 1 125 510 GLN . 31301 1 126 511 GLY . 31301 1 127 512 TRP . 31301 1 128 513 TYR . 31301 1 129 514 ASN . 31301 1 130 515 HIS . 31301 1 131 516 SER . 31301 1 132 517 GLY . 31301 1 133 518 LYS . 31301 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 . GLY 1 1 31301 1 . SER 2 2 31301 1 . SER 3 3 31301 1 . SER 4 4 31301 1 . ASP 5 5 31301 1 . SER 6 6 31301 1 . MET 7 7 31301 1 . ALA 8 8 31301 1 . GLN 9 9 31301 1 . PRO 10 10 31301 1 . PRO 11 11 31301 1 . GLN 12 12 31301 1 . THR 13 13 31301 1 . PRO 14 14 31301 1 . GLU 15 15 31301 1 . THR 16 16 31301 1 . SER 17 17 31301 1 . THR 18 18 31301 1 . PHE 19 19 31301 1 . ARG 20 20 31301 1 . ASN 21 21 31301 1 . GLN 22 22 31301 1 . MET 23 23 31301 1 . PRO 24 24 31301 1 . SER 25 25 31301 1 . PRO 26 26 31301 1 . THR 27 27 31301 1 . SER 28 28 31301 1 . THR 29 29 31301 1 . GLY 30 30 31301 1 . THR 31 31 31301 1 . PRO 32 32 31301 1 . SER 33 33 31301 1 . PRO 34 34 31301 1 . GLY 35 35 31301 1 . PRO 36 36 31301 1 . ARG 37 37 31301 1 . GLY 38 38 31301 1 . ASN 39 39 31301 1 . GLN 40 40 31301 1 . GLY 41 41 31301 1 . ALA 42 42 31301 1 . GLU 43 43 31301 1 . ARG 44 44 31301 1 . GLN 45 45 31301 1 . GLY 46 46 31301 1 . MET 47 47 31301 1 . ASN 48 48 31301 1 . TRP 49 49 31301 1 . SER 50 50 31301 1 . CYS 51 51 31301 1 . ARG 52 52 31301 1 . THR 53 53 31301 1 . PRO 54 54 31301 1 . GLU 55 55 31301 1 . PRO 56 56 31301 1 . ASN 57 57 31301 1 . PRO 58 58 31301 1 . VAL 59 59 31301 1 . THR 60 60 31301 1 . GLY 61 61 31301 1 . ARG 62 62 31301 1 . PRO 63 63 31301 1 . LEU 64 64 31301 1 . VAL 65 65 31301 1 . ASN 66 66 31301 1 . ILE 67 67 31301 1 . TYR 68 68 31301 1 . ASN 69 69 31301 1 . CYS 70 70 31301 1 . SER 71 71 31301 1 . GLY 72 72 31301 1 . VAL 73 73 31301 1 . GLN 74 74 31301 1 . VAL 75 75 31301 1 . GLY 76 76 31301 1 . ASP 77 77 31301 1 . ASN 78 78 31301 1 . ASN 79 79 31301 1 . TYR 80 80 31301 1 . LEU 81 81 31301 1 . THR 82 82 31301 1 . MET 83 83 31301 1 . GLN 84 84 31301 1 . GLN 85 85 31301 1 . THR 86 86 31301 1 . THR 87 87 31301 1 . ALA 88 88 31301 1 . LEU 89 89 31301 1 . PRO 90 90 31301 1 . THR 91 91 31301 1 . TRP 92 92 31301 1 . GLY 93 93 31301 1 . LEU 94 94 31301 1 . ALA 95 95 31301 1 . PRO 96 96 31301 1 . SER 97 97 31301 1 . GLY 98 98 31301 1 . LYS 99 99 31301 1 . GLY 100 100 31301 1 . ARG 101 101 31301 1 . GLY 102 102 31301 1 . LEU 103 103 31301 1 . GLN 104 104 31301 1 . HIS 105 105 31301 1 . PRO 106 106 31301 1 . PRO 107 107 31301 1 . PRO 108 108 31301 1 . VAL 109 109 31301 1 . GLY 110 110 31301 1 . SER 111 111 31301 1 . GLN 112 112 31301 1 . GLU 113 113 31301 1 . GLY 114 114 31301 1 . PRO 115 115 31301 1 . LYS 116 116 31301 1 . ASP 117 117 31301 1 . PRO 118 118 31301 1 . GLU 119 119 31301 1 . ALA 120 120 31301 1 . TRP 121 121 31301 1 . SER 122 122 31301 1 . ARG 123 123 31301 1 . PRO 124 124 31301 1 . GLN 125 125 31301 1 . GLY 126 126 31301 1 . TRP 127 127 31301 1 . TYR 128 128 31301 1 . ASN 129 129 31301 1 . HIS 130 130 31301 1 . SER 131 131 31301 1 . GLY 132 132 31301 1 . LYS 133 133 31301 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 31301 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,D,F,H _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMDRQPKVYSDPDNGFFFL DVPMPDDGQGGQQTATTAAG GAFGVGGGHSVPYVRIMNGV SGIQIGNHNAMSIASCWSPS YTDRRRRSYPKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9808.812 _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 -1 GLY . 31301 2 2 0 SER . 31301 2 3 1 MET . 31301 2 4 2 ASP . 31301 2 5 3 ARG . 31301 2 6 4 GLN . 31301 2 7 5 PRO . 31301 2 8 6 LYS . 31301 2 9 7 VAL . 31301 2 10 8 TYR . 31301 2 11 9 SER . 31301 2 12 10 ASP . 31301 2 13 11 PRO . 31301 2 14 12 ASP . 31301 2 15 13 ASN . 31301 2 16 14 GLY . 31301 2 17 15 PHE . 31301 2 18 16 PHE . 31301 2 19 17 PHE . 31301 2 20 18 LEU . 31301 2 21 19 ASP . 31301 2 22 20 VAL . 31301 2 23 21 PRO . 31301 2 24 22 MET . 31301 2 25 23 PRO . 31301 2 26 24 ASP . 31301 2 27 25 ASP . 31301 2 28 26 GLY . 31301 2 29 27 GLN . 31301 2 30 28 GLY . 31301 2 31 29 GLY . 31301 2 32 30 GLN . 31301 2 33 31 GLN . 31301 2 34 32 THR . 31301 2 35 33 ALA . 31301 2 36 34 THR . 31301 2 37 35 THR . 31301 2 38 36 ALA . 31301 2 39 37 ALA . 31301 2 40 38 GLY . 31301 2 41 39 GLY . 31301 2 42 40 ALA . 31301 2 43 41 PHE . 31301 2 44 42 GLY . 31301 2 45 43 VAL . 31301 2 46 44 GLY . 31301 2 47 45 GLY . 31301 2 48 46 GLY . 31301 2 49 47 HIS . 31301 2 50 48 SER . 31301 2 51 49 VAL . 31301 2 52 50 PRO . 31301 2 53 51 TYR . 31301 2 54 52 VAL . 31301 2 55 53 ARG . 31301 2 56 54 ILE . 31301 2 57 55 MET . 31301 2 58 56 ASN . 31301 2 59 57 GLY . 31301 2 60 58 VAL . 31301 2 61 59 SER . 31301 2 62 60 GLY . 31301 2 63 61 ILE . 31301 2 64 62 GLN . 31301 2 65 63 ILE . 31301 2 66 64 GLY . 31301 2 67 65 ASN . 31301 2 68 66 HIS . 31301 2 69 67 ASN . 31301 2 70 68 ALA . 31301 2 71 69 MET . 31301 2 72 70 SER . 31301 2 73 71 ILE . 31301 2 74 72 ALA . 31301 2 75 73 SER . 31301 2 76 74 CYS . 31301 2 77 75 TRP . 31301 2 78 76 SER . 31301 2 79 77 PRO . 31301 2 80 78 SER . 31301 2 81 79 TYR . 31301 2 82 80 THR . 31301 2 83 81 ASP . 31301 2 84 82 ARG . 31301 2 85 83 ARG . 31301 2 86 84 ARG . 31301 2 87 85 ARG . 31301 2 88 86 SER . 31301 2 89 87 TYR . 31301 2 90 88 PRO . 31301 2 91 89 LYS . 31301 2 92 90 THR . 31301 2 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 . GLY 1 1 31301 2 . SER 2 2 31301 2 . MET 3 3 31301 2 . ASP 4 4 31301 2 . ARG 5 5 31301 2 . GLN 6 6 31301 2 . PRO 7 7 31301 2 . LYS 8 8 31301 2 . VAL 9 9 31301 2 . TYR 10 10 31301 2 . SER 11 11 31301 2 . ASP 12 12 31301 2 . PRO 13 13 31301 2 . ASP 14 14 31301 2 . ASN 15 15 31301 2 . GLY 16 16 31301 2 . PHE 17 17 31301 2 . PHE 18 18 31301 2 . PHE 19 19 31301 2 . LEU 20 20 31301 2 . ASP 21 21 31301 2 . VAL 22 22 31301 2 . PRO 23 23 31301 2 . MET 24 24 31301 2 . PRO 25 25 31301 2 . ASP 26 26 31301 2 . ASP 27 27 31301 2 . GLY 28 28 31301 2 . GLN 29 29 31301 2 . GLY 30 30 31301 2 . GLY 31 31 31301 2 . GLN 32 32 31301 2 . GLN 33 33 31301 2 . THR 34 34 31301 2 . ALA 35 35 31301 2 . THR 36 36 31301 2 . THR 37 37 31301 2 . ALA 38 38 31301 2 . ALA 39 39 31301 2 . GLY 40 40 31301 2 . GLY 41 41 31301 2 . ALA 42 42 31301 2 . PHE 43 43 31301 2 . GLY 44 44 31301 2 . VAL 45 45 31301 2 . GLY 46 46 31301 2 . GLY 47 47 31301 2 . GLY 48 48 31301 2 . HIS 49 49 31301 2 . SER 50 50 31301 2 . VAL 51 51 31301 2 . PRO 52 52 31301 2 . TYR 53 53 31301 2 . VAL 54 54 31301 2 . ARG 55 55 31301 2 . ILE 56 56 31301 2 . MET 57 57 31301 2 . ASN 58 58 31301 2 . GLY 59 59 31301 2 . VAL 60 60 31301 2 . SER 61 61 31301 2 . GLY 62 62 31301 2 . ILE 63 63 31301 2 . GLN 64 64 31301 2 . ILE 65 65 31301 2 . GLY 66 66 31301 2 . ASN 67 67 31301 2 . HIS 68 68 31301 2 . ASN 69 69 31301 2 . ALA 70 70 31301 2 . MET 71 71 31301 2 . SER 72 72 31301 2 . ILE 73 73 31301 2 . ALA 74 74 31301 2 . SER 75 75 31301 2 . CYS 76 76 31301 2 . TRP 77 77 31301 2 . SER 78 78 31301 2 . PRO 79 79 31301 2 . SER 80 80 31301 2 . TYR 81 81 31301 2 . THR 82 82 31301 2 . ASP 83 83 31301 2 . ARG 84 84 31301 2 . ARG 85 85 31301 2 . ARG 86 86 31301 2 . ARG 87 87 31301 2 . SER 88 88 31301 2 . TYR 89 89 31301 2 . PRO 90 90 31301 2 . LYS 91 91 31301 2 . THR 92 92 31301 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31301 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'RIPK3, RIP3' . 31301 1 2 2 $entity_2 . 10366 organism . 'Murid betaherpesvirus 1' 'Murine cytomegalovirus' . . Viruses . Muromegalovirus muridbeta1 . . . . . . . . . . . 'M45, RIR1' . 31301 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 31301 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31301 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31301 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31301 _Sample.ID 1 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM U-13C,15N M45, 5 mM RIPK3, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 '[U-13C; U-15N]' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 1 2 RIPK3 'natural abundance' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31301 _Sample.ID 2 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM U-13C,15N RIPK3, 5 mM M45, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 'natural abundance' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 2 2 RIPK3 '[U-13C; U-15N]' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31301 _Sample.ID 3 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM U-13C,15N RIPK3, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 RIPK3 '[U-13C; U-15N]' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 31301 _Sample.ID 4 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM U-13C,15N M45, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 '[U-13C; U-15N]' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 31301 _Sample.ID 5 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM 1,3-13C-glycerol, 15N M45, 5 mM RIPK3, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 '[1,3-13C-glycerol, 15N]' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 5 2 RIPK3 'natural abundance' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 31301 _Sample.ID 6 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM 2-13C-glycerol,15N M45, 5 mM RIPK3, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 '[2-13C-glycerol, 15N]' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 6 2 RIPK3 'natural abundance' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 31301 _Sample.ID 7 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM 1,3-13C-glycerol,15N RIPK3, 5 mM M45, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 'natural abundance' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 7 2 RIPK3 '[1,3-13C-glycerol, 15N]' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 31301 _Sample.ID 8 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM 2-13C-glycerol,15N RIPK3, 5 mM M45, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 'natural abundance' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 8 2 RIPK3 '[2-13C-glycerol, 15N]' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 31301 _Sample.ID 9 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM 2-13C-glycerol,15N RIPK3, 5 mM 1,3-13C-glycerol,15N M45, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 '[1,3-13C-glycerol, 15N]' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 9 2 RIPK3 '[2-13C-glycerol, 15N]' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 31301 _Sample.ID 10 _Sample.Name . _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details '5 mM 2-13C-glycerol,15N M45, 5 mM 1,3-13C-glycerol,15N RIPK3, water' _Sample.Aggregate_sample_number . _Sample.Solvent_system water _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 M45 '[2-13C-glycerol, 15N]' . . 1 $entity_1 . . 5 . . mM 1 . . . 31301 10 2 RIPK3 '[1,3-13C-glycerol, 15N]' . . 2 $entity_2 . . 5 . . mM 1 . . . 31301 10 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 31301 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31301 1 pH 7.4 . pH 31301 1 pressure 1 . atm 31301 1 temperature 285 . K 31301 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31301 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31301 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31301 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31301 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31301 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31301 2 'peak picking' . 31301 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31301 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31301 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31301 3 'structure calculation' . 31301 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31301 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31301 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31301 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 750 . . . 31301 1 2 NMR_spectrometer_2 Bruker AVANCE . 900 . . . 31301 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31301 _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 'DARR 75ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 2 N(CO)CX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 3 N(CA)CX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 4 CA(N)CO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 5 NCA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 6 NCA no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 7 'DARR 75ms' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 8 'DARR 350ms' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 9 CA(N)CO no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 10 N(CA)CX no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 11 N(CO)CX no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 12 'DARR 75ms' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 13 'TEDOR 7.2ms' no . . . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 14 'DARR 500ms' no . . . . . . . . . . . . 10 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 15 'DARR 500ms' no . . . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 16 'DARR 350ms' no . . . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 17 'DARR 350ms' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 18 'DARR 350ms' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 19 NCACX no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 20 NCOCX no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 21 NCACX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 22 CANCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 23 NCOCX no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 24 'TEDOR 5.7ms' no . . . . . . . . . . . . 10 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 25 'NHHC 500 us' no . . . . . . . . . . . . 10 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 26 'DARR 400ms' no . . . . . . . . . . . . 10 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31301 1 27 'NCA 4ms' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 28 'CORD 50ms' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 29 'DARR 50ms' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 1 30 NCA no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31301 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 31301 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.0 external direct 1.0 . . . . . 31301 1 N 15 DSS 'methyl carbons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 31301 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 31301 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'DARR 75ms' . . . 31301 1 2 N(CO)CX . . . 31301 1 3 N(CA)CX . . . 31301 1 4 CA(N)CO . . . 31301 1 5 NCA . . . 31301 1 6 NCA . . . 31301 1 7 'DARR 75ms' . . . 31301 1 8 'DARR 350ms' . . . 31301 1 9 CA(N)CO . . . 31301 1 10 N(CA)CX . . . 31301 1 11 N(CO)CX . . . 31301 1 12 'DARR 75ms' . . . 31301 1 13 'TEDOR 7.2ms' . . . 31301 1 14 'DARR 500ms' . . . 31301 1 15 'DARR 500ms' . . . 31301 1 16 'DARR 350ms' . . . 31301 1 17 'DARR 350ms' . . . 31301 1 18 'DARR 350ms' . . . 31301 1 19 NCACX . . . 31301 1 20 NCOCX . . . 31301 1 21 NCACX . . . 31301 1 22 CANCO . . . 31301 1 23 NCOCX . . . 31301 1 24 'TEDOR 5.7ms' . . . 31301 1 25 'NHHC 500 us' . . . 31301 1 26 'DARR 400ms' . . . 31301 1 27 'NCA 4ms' . . . 31301 1 28 'CORD 50ms' . . . 31301 1 29 'DARR 50ms' . . . 31301 1 30 NCA . . . 31301 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 62 62 ARG CA C 13 56.800 0.15 . 1 . . . . A 447 ARG CA . 31301 1 2 . 1 . 1 62 62 ARG CB C 13 30.200 0.15 . 1 . . . . A 447 ARG CB . 31301 1 3 . 1 . 1 62 62 ARG CD C 13 43.500 0.15 . 1 . . . . A 447 ARG CD . 31301 1 4 . 1 . 1 62 62 ARG CZ C 13 159.600 0.15 . 1 . . . . A 447 ARG CZ . 31301 1 5 . 1 . 1 63 63 PRO CA C 13 62.700 0.15 . 1 . . . . A 448 PRO CA . 31301 1 6 . 1 . 1 63 63 PRO CB C 13 32.200 0.15 . 1 . . . . A 448 PRO CB . 31301 1 7 . 1 . 1 63 63 PRO CG C 13 27.400 0.15 . 1 . . . . A 448 PRO CG . 31301 1 8 . 1 . 1 63 63 PRO CD C 13 50.400 0.15 . 1 . . . . A 448 PRO CD . 31301 1 9 . 1 . 1 63 63 PRO N N 15 136.600 0.75 . 1 . . . . A 448 PRO N . 31301 1 10 . 1 . 1 64 64 LEU CB C 13 42.500 0.15 . 1 . . . . A 449 LEU CB . 31301 1 11 . 1 . 1 64 64 LEU CG C 13 27.100 0.15 . 1 . . . . A 449 LEU CG . 31301 1 12 . 1 . 1 64 64 LEU CD1 C 13 23.700 0.15 . 1 . . . . A 449 LEU CD1 . 31301 1 13 . 1 . 1 65 65 VAL C C 13 174.300 0.15 . 1 . . . . A 450 VAL C . 31301 1 14 . 1 . 1 65 65 VAL CA C 13 60.300 0.15 . 1 . . . . A 450 VAL CA . 31301 1 15 . 1 . 1 65 65 VAL CB C 13 35.200 0.15 . 1 . . . . A 450 VAL CB . 31301 1 16 . 1 . 1 65 65 VAL N N 15 125.200 0.75 . 1 . . . . A 450 VAL N . 31301 1 17 . 1 . 1 66 66 ASN C C 13 173.500 0.15 . 1 . . . . A 451 ASN C . 31301 1 18 . 1 . 1 66 66 ASN CA C 13 52.000 0.15 . 1 . . . . A 451 ASN CA . 31301 1 19 . 1 . 1 66 66 ASN CB C 13 42.900 0.15 . 1 . . . . A 451 ASN CB . 31301 1 20 . 1 . 1 66 66 ASN CG C 13 176.600 0.15 . 1 . . . . A 451 ASN CG . 31301 1 21 . 1 . 1 66 66 ASN N N 15 125.300 0.75 . 1 . . . . A 451 ASN N . 31301 1 22 . 1 . 1 67 67 ILE C C 13 173.800 0.15 . 1 . . . . A 452 ILE C . 31301 1 23 . 1 . 1 67 67 ILE CA C 13 61.000 0.15 . 1 . . . . A 452 ILE CA . 31301 1 24 . 1 . 1 67 67 ILE CB C 13 40.300 0.15 . 1 . . . . A 452 ILE CB . 31301 1 25 . 1 . 1 67 67 ILE CG1 C 13 27.600 0.15 . 1 . . . . A 452 ILE CG1 . 31301 1 26 . 1 . 1 67 67 ILE CG2 C 13 20.700 0.15 . 1 . . . . A 452 ILE CG2 . 31301 1 27 . 1 . 1 67 67 ILE CD1 C 13 14.500 0.15 . 1 . . . . A 452 ILE CD1 . 31301 1 28 . 1 . 1 67 67 ILE N N 15 122.800 0.75 . 1 . . . . A 452 ILE N . 31301 1 29 . 1 . 1 68 68 TYR C C 13 175.400 0.15 . 1 . . . . A 453 TYR C . 31301 1 30 . 1 . 1 68 68 TYR CA C 13 56.300 0.15 . 1 . . . . A 453 TYR CA . 31301 1 31 . 1 . 1 68 68 TYR CB C 13 40.500 0.15 . 1 . . . . A 453 TYR CB . 31301 1 32 . 1 . 1 68 68 TYR CG C 13 129.100 0.15 . 1 . . . . A 453 TYR CG . 31301 1 33 . 1 . 1 68 68 TYR CD1 C 13 133.900 0.15 . 1 . . . . A 453 TYR CD1 . 31301 1 34 . 1 . 1 68 68 TYR CE1 C 13 117.400 0.15 . 1 . . . . A 453 TYR CE1 . 31301 1 35 . 1 . 1 68 68 TYR CZ C 13 157.200 0.15 . 1 . . . . A 453 TYR CZ . 31301 1 36 . 1 . 1 68 68 TYR N N 15 124.000 0.75 . 1 . . . . A 453 TYR N . 31301 1 37 . 1 . 1 69 69 ASN C C 13 175.600 0.15 . 1 . . . . A 454 ASN C . 31301 1 38 . 1 . 1 69 69 ASN CA C 13 54.800 0.15 . 1 . . . . A 454 ASN CA . 31301 1 39 . 1 . 1 69 69 ASN CB C 13 37.400 0.15 . 1 . . . . A 454 ASN CB . 31301 1 40 . 1 . 1 69 69 ASN N N 15 118.900 0.75 . 1 . . . . A 454 ASN N . 31301 1 41 . 1 . 1 70 70 CYS C C 13 174.300 0.15 . 1 . . . . A 455 CYS C . 31301 1 42 . 1 . 1 70 70 CYS CA C 13 58.400 0.15 . 1 . . . . A 455 CYS CA . 31301 1 43 . 1 . 1 70 70 CYS CB C 13 32.000 0.15 . 1 . . . . A 455 CYS CB . 31301 1 44 . 1 . 1 70 70 CYS N N 15 114.300 0.75 . 1 . . . . A 455 CYS N . 31301 1 45 . 1 . 1 71 71 SER C C 13 173.100 0.15 . 1 . . . . A 456 SER C . 31301 1 46 . 1 . 1 71 71 SER CA C 13 57.600 0.15 . 1 . . . . A 456 SER CA . 31301 1 47 . 1 . 1 71 71 SER CB C 13 65.500 0.15 . 1 . . . . A 456 SER CB . 31301 1 48 . 1 . 1 71 71 SER N N 15 118.300 0.75 . 1 . . . . A 456 SER N . 31301 1 49 . 1 . 1 72 72 GLY C C 13 170.300 0.15 . 1 . . . . A 457 GLY C . 31301 1 50 . 1 . 1 72 72 GLY CA C 13 48.400 0.15 . 1 . . . . A 457 GLY CA . 31301 1 51 . 1 . 1 72 72 GLY N N 15 116.600 0.75 . 1 . . . . A 457 GLY N . 31301 1 52 . 1 . 1 73 73 VAL C C 13 174.700 0.15 . 1 . . . . A 458 VAL C . 31301 1 53 . 1 . 1 73 73 VAL CA C 13 59.900 0.15 . 1 . . . . A 458 VAL CA . 31301 1 54 . 1 . 1 73 73 VAL CB C 13 36.300 0.15 . 1 . . . . A 458 VAL CB . 31301 1 55 . 1 . 1 73 73 VAL CG1 C 13 21.900 0.15 . 1 . . . . A 458 VAL CG1 . 31301 1 56 . 1 . 1 73 73 VAL CG2 C 13 21.300 0.15 . 1 . . . . A 458 VAL CG2 . 31301 1 57 . 1 . 1 73 73 VAL N N 15 124.000 0.75 . 1 . . . . A 458 VAL N . 31301 1 58 . 1 . 1 74 74 GLN C C 13 175.700 0.15 . 1 . . . . A 459 GLN C . 31301 1 59 . 1 . 1 74 74 GLN CA C 13 53.600 0.15 . 1 . . . . A 459 GLN CA . 31301 1 60 . 1 . 1 74 74 GLN CB C 13 32.400 0.15 . 1 . . . . A 459 GLN CB . 31301 1 61 . 1 . 1 74 74 GLN CG C 13 33.700 0.15 . 1 . . . . A 459 GLN CG . 31301 1 62 . 1 . 1 74 74 GLN CD C 13 177.600 0.15 . 1 . . . . A 459 GLN CD . 31301 1 63 . 1 . 1 74 74 GLN N N 15 124.300 0.75 . 1 . . . . A 459 GLN N . 31301 1 64 . 1 . 1 74 74 GLN NE2 N 15 113.000 0.75 . 1 . . . . A 459 GLN NE2 . 31301 1 65 . 1 . 1 75 75 VAL C C 13 174.600 0.15 . 1 . . . . A 460 VAL C . 31301 1 66 . 1 . 1 75 75 VAL CA C 13 60.800 0.15 . 1 . . . . A 460 VAL CA . 31301 1 67 . 1 . 1 75 75 VAL CB C 13 33.500 0.15 . 1 . . . . A 460 VAL CB . 31301 1 68 . 1 . 1 75 75 VAL CG1 C 13 21.300 0.15 . 1 . . . . A 460 VAL CG1 . 31301 1 69 . 1 . 1 75 75 VAL N N 15 123.400 0.75 . 1 . . . . A 460 VAL N . 31301 1 70 . 1 . 1 76 76 GLY C C 13 170.400 0.15 . 1 . . . . A 461 GLY C . 31301 1 71 . 1 . 1 76 76 GLY CA C 13 44.500 0.15 . 1 . . . . A 461 GLY CA . 31301 1 72 . 1 . 1 76 76 GLY N N 15 117.500 0.75 . 1 . . . . A 461 GLY N . 31301 1 73 . 1 . 1 77 77 ASP C C 13 176.300 0.15 . 1 . . . . A 462 ASP C . 31301 1 74 . 1 . 1 77 77 ASP CA C 13 52.400 0.15 . 1 . . . . A 462 ASP CA . 31301 1 75 . 1 . 1 77 77 ASP CB C 13 44.400 0.15 . 1 . . . . A 462 ASP CB . 31301 1 76 . 1 . 1 77 77 ASP CG C 13 181.100 0.15 . 1 . . . . A 462 ASP CG . 31301 1 77 . 1 . 1 77 77 ASP N N 15 119.700 0.75 . 1 . . . . A 462 ASP N . 31301 1 78 . 1 . 1 78 78 ASN C C 13 174.000 0.15 . 1 . . . . A 463 ASN C . 31301 1 79 . 1 . 1 78 78 ASN CA C 13 51.900 0.15 . 1 . . . . A 463 ASN CA . 31301 1 80 . 1 . 1 78 78 ASN CB C 13 36.400 0.15 . 1 . . . . A 463 ASN CB . 31301 1 81 . 1 . 1 78 78 ASN N N 15 113.900 0.75 . 1 . . . . A 463 ASN N . 31301 1 82 . 1 . 1 79 79 ASN C C 13 173.900 0.15 . 1 . . . . A 464 ASN C . 31301 1 83 . 1 . 1 79 79 ASN CA C 13 53.400 0.15 . 1 . . . . A 464 ASN CA . 31301 1 84 . 1 . 1 79 79 ASN CB C 13 40.200 0.15 . 1 . . . . A 464 ASN CB . 31301 1 85 . 1 . 1 79 79 ASN CG C 13 177.000 0.15 . 1 . . . . A 464 ASN CG . 31301 1 86 . 1 . 1 79 79 ASN N N 15 116.100 0.75 . 1 . . . . A 464 ASN N . 31301 1 87 . 1 . 1 80 80 TYR C C 13 173.500 0.15 . 1 . . . . A 465 TYR C . 31301 1 88 . 1 . 1 80 80 TYR CA C 13 58.300 0.15 . 1 . . . . A 465 TYR CA . 31301 1 89 . 1 . 1 80 80 TYR CE1 C 13 117.700 0.15 . 1 . . . . A 465 TYR CE1 . 31301 1 90 . 1 . 1 80 80 TYR CZ C 13 157.300 0.15 . 1 . . . . A 465 TYR CZ . 31301 1 91 . 1 . 1 80 80 TYR N N 15 121.100 0.75 . 1 . . . . A 465 TYR N . 31301 1 92 . 1 . 1 81 81 LEU C C 13 174.600 0.15 . 1 . . . . A 466 LEU C . 31301 1 93 . 1 . 1 81 81 LEU CA C 13 55.000 0.15 . 1 . . . . A 466 LEU CA . 31301 1 94 . 1 . 1 81 81 LEU CB C 13 44.700 0.15 . 1 . . . . A 466 LEU CB . 31301 1 95 . 1 . 1 81 81 LEU CG C 13 28.800 0.15 . 1 . . . . A 466 LEU CG . 31301 1 96 . 1 . 1 81 81 LEU CD1 C 13 24.500 0.15 . 1 . . . . A 466 LEU CD1 . 31301 1 97 . 1 . 1 81 81 LEU N N 15 134.700 0.75 . 1 . . . . A 466 LEU N . 31301 1 98 . 1 . 1 82 82 THR C C 13 172.300 0.15 . 1 . . . . A 467 THR C . 31301 1 99 . 1 . 1 82 82 THR CA C 13 57.500 0.15 . 1 . . . . A 467 THR CA . 31301 1 100 . 1 . 1 82 82 THR CB C 13 70.700 0.15 . 1 . . . . A 467 THR CB . 31301 1 101 . 1 . 1 82 82 THR CG2 C 13 20.100 0.15 . 1 . . . . A 467 THR CG2 . 31301 1 102 . 1 . 1 82 82 THR N N 15 120.500 0.75 . 1 . . . . A 467 THR N . 31301 1 103 . 1 . 1 83 83 MET C C 13 174.600 0.15 . 1 . . . . A 468 MET C . 31301 1 104 . 1 . 1 83 83 MET CA C 13 54.600 0.15 . 1 . . . . A 468 MET CA . 31301 1 105 . 1 . 1 83 83 MET CB C 13 34.200 0.15 . 1 . . . . A 468 MET CB . 31301 1 106 . 1 . 1 83 83 MET CG C 13 32.400 0.15 . 1 . . . . A 468 MET CG . 31301 1 107 . 1 . 1 83 83 MET CE C 13 16.600 0.15 . 1 . . . . A 468 MET CE . 31301 1 108 . 1 . 1 83 83 MET N N 15 124.700 0.75 . 1 . . . . A 468 MET N . 31301 1 109 . 1 . 1 84 84 GLN C C 13 175.100 0.15 . 1 . . . . A 469 GLN C . 31301 1 110 . 1 . 1 84 84 GLN CA C 13 54.600 0.15 . 1 . . . . A 469 GLN CA . 31301 1 111 . 1 . 1 84 84 GLN CB C 13 30.700 0.15 . 1 . . . . A 469 GLN CB . 31301 1 112 . 1 . 1 84 84 GLN CG C 13 37.500 0.15 . 1 . . . . A 469 GLN CG . 31301 1 113 . 1 . 1 84 84 GLN CD C 13 179.400 0.15 . 1 . . . . A 469 GLN CD . 31301 1 114 . 1 . 1 84 84 GLN N N 15 124.300 0.75 . 1 . . . . A 469 GLN N . 31301 1 115 . 1 . 1 85 85 GLN C C 13 175.900 0.15 . 1 . . . . A 470 GLN C . 31301 1 116 . 1 . 1 85 85 GLN CA C 13 53.800 0.15 . 1 . . . . A 470 GLN CA . 31301 1 117 . 1 . 1 85 85 GLN CB C 13 32.700 0.15 . 1 . . . . A 470 GLN CB . 31301 1 118 . 1 . 1 85 85 GLN CG C 13 36.300 0.15 . 1 . . . . A 470 GLN CG . 31301 1 119 . 1 . 1 85 85 GLN N N 15 124.300 0.75 . 1 . . . . A 470 GLN N . 31301 1 120 . 1 . 1 86 86 THR C C 13 173.000 0.15 . 1 . . . . A 471 THR C . 31301 1 121 . 1 . 1 86 86 THR CA C 13 61.400 0.15 . 1 . . . . A 471 THR CA . 31301 1 122 . 1 . 1 86 86 THR CB C 13 71.200 0.15 . 1 . . . . A 471 THR CB . 31301 1 123 . 1 . 1 86 86 THR CG2 C 13 21.700 0.15 . 1 . . . . A 471 THR CG2 . 31301 1 124 . 1 . 1 86 86 THR N N 15 117.800 0.75 . 1 . . . . A 471 THR N . 31301 1 125 . 1 . 1 87 87 THR C C 13 172.400 0.15 . 1 . . . . A 472 THR C . 31301 1 126 . 1 . 1 87 87 THR CA C 13 62.200 0.15 . 1 . . . . A 472 THR CA . 31301 1 127 . 1 . 1 87 87 THR CB C 13 70.000 0.15 . 1 . . . . A 472 THR CB . 31301 1 128 . 1 . 1 87 87 THR CG2 C 13 21.700 0.15 . 1 . . . . A 472 THR CG2 . 31301 1 129 . 1 . 1 87 87 THR N N 15 126.700 0.75 . 1 . . . . A 472 THR N . 31301 1 130 . 1 . 1 88 88 ALA C C 13 175.600 0.15 . 1 . . . . A 473 ALA C . 31301 1 131 . 1 . 1 88 88 ALA CA C 13 50.500 0.15 . 1 . . . . A 473 ALA CA . 31301 1 132 . 1 . 1 88 88 ALA CB C 13 23.400 0.15 . 1 . . . . A 473 ALA CB . 31301 1 133 . 1 . 1 88 88 ALA N N 15 129.400 0.75 . 1 . . . . A 473 ALA N . 31301 1 134 . 5 . 2 50 50 SER CB C 13 65.500 0.15 . 1 . . . . B 48 SER CB . 31301 1 135 . 5 . 2 51 51 VAL C C 13 174.500 0.15 . 1 . . . . B 49 VAL C . 31301 1 136 . 5 . 2 51 51 VAL CA C 13 59.300 0.15 . 1 . . . . B 49 VAL CA . 31301 1 137 . 5 . 2 51 51 VAL CB C 13 37.600 0.15 . 1 . . . . B 49 VAL CB . 31301 1 138 . 5 . 2 51 51 VAL CG1 C 13 22.100 0.15 . 1 . . . . B 49 VAL CG1 . 31301 1 139 . 5 . 2 51 51 VAL CG2 C 13 21.500 0.15 . 1 . . . . B 49 VAL CG2 . 31301 1 140 . 5 . 2 51 51 VAL N N 15 118.200 0.75 . 1 . . . . B 49 VAL N . 31301 1 141 . 5 . 2 52 52 PRO C C 13 172.900 0.15 . 1 . . . . B 50 PRO C . 31301 1 142 . 5 . 2 52 52 PRO CA C 13 62.700 0.15 . 1 . . . . B 50 PRO CA . 31301 1 143 . 5 . 2 52 52 PRO CB C 13 32.300 0.15 . 1 . . . . B 50 PRO CB . 31301 1 144 . 5 . 2 52 52 PRO CG C 13 27.300 0.15 . 1 . . . . B 50 PRO CG . 31301 1 145 . 5 . 2 52 52 PRO CD C 13 51.000 0.15 . 1 . . . . B 50 PRO CD . 31301 1 146 . 5 . 2 52 52 PRO N N 15 134.400 0.75 . 1 . . . . B 50 PRO N . 31301 1 147 . 5 . 2 53 53 TYR C C 13 175.300 0.15 . 1 . . . . B 51 TYR C . 31301 1 148 . 5 . 2 53 53 TYR CA C 13 56.100 0.15 . 1 . . . . B 51 TYR CA . 31301 1 149 . 5 . 2 53 53 TYR CB C 13 40.400 0.15 . 1 . . . . B 51 TYR CB . 31301 1 150 . 5 . 2 53 53 TYR CG C 13 130.000 0.15 . 1 . . . . B 51 TYR CG . 31301 1 151 . 5 . 2 53 53 TYR N N 15 122.600 0.75 . 1 . . . . B 51 TYR N . 31301 1 152 . 5 . 2 54 54 VAL CA C 13 61.200 0.15 . 1 . . . . B 52 VAL CA . 31301 1 153 . 5 . 2 54 54 VAL CB C 13 35.500 0.15 . 1 . . . . B 52 VAL CB . 31301 1 154 . 5 . 2 54 54 VAL CG1 C 13 21.100 0.15 . 1 . . . . B 52 VAL CG1 . 31301 1 155 . 5 . 2 54 54 VAL N N 15 115.200 0.75 . 1 . . . . B 52 VAL N . 31301 1 156 . 5 . 2 55 55 ARG CA C 13 56.000 0.15 . 1 . . . . B 53 ARG CA . 31301 1 157 . 5 . 2 55 55 ARG CB C 13 34.900 0.15 . 1 . . . . B 53 ARG CB . 31301 1 158 . 5 . 2 55 55 ARG CG C 13 27.900 0.15 . 1 . . . . B 53 ARG CG . 31301 1 159 . 5 . 2 55 55 ARG CD C 13 43.300 0.15 . 1 . . . . B 53 ARG CD . 31301 1 160 . 5 . 2 55 55 ARG CZ C 13 158.600 0.15 . 1 . . . . B 53 ARG CZ . 31301 1 161 . 5 . 2 55 55 ARG N N 15 123.300 0.75 . 1 . . . . B 53 ARG N . 31301 1 162 . 5 . 2 56 56 ILE C C 13 174.600 0.15 . 1 . . . . B 54 ILE C . 31301 1 163 . 5 . 2 56 56 ILE CA C 13 60.500 0.15 . 1 . . . . B 54 ILE CA . 31301 1 164 . 5 . 2 56 56 ILE CB C 13 41.900 0.15 . 1 . . . . B 54 ILE CB . 31301 1 165 . 5 . 2 56 56 ILE CG1 C 13 28.500 0.15 . 1 . . . . B 54 ILE CG1 . 31301 1 166 . 5 . 2 56 56 ILE CG2 C 13 18.200 0.15 . 1 . . . . B 54 ILE CG2 . 31301 1 167 . 5 . 2 56 56 ILE CD1 C 13 13.600 0.15 . 1 . . . . B 54 ILE CD1 . 31301 1 168 . 5 . 2 56 56 ILE N N 15 126.800 0.75 . 1 . . . . B 54 ILE N . 31301 1 169 . 5 . 2 57 57 MET C C 13 174.300 0.15 . 1 . . . . B 55 MET C . 31301 1 170 . 5 . 2 57 57 MET CA C 13 54.200 0.15 . 1 . . . . B 55 MET CA . 31301 1 171 . 5 . 2 57 57 MET CB C 13 37.600 0.15 . 1 . . . . B 55 MET CB . 31301 1 172 . 5 . 2 57 57 MET CG C 13 30.700 0.15 . 1 . . . . B 55 MET CG . 31301 1 173 . 5 . 2 57 57 MET CE C 13 15.300 0.15 . 1 . . . . B 55 MET CE . 31301 1 174 . 5 . 2 57 57 MET N N 15 125.100 0.75 . 1 . . . . B 55 MET N . 31301 1 175 . 5 . 2 58 58 ASN C C 13 175.000 0.15 . 1 . . . . B 56 ASN C . 31301 1 176 . 5 . 2 58 58 ASN CA C 13 53.800 0.15 . 1 . . . . B 56 ASN CA . 31301 1 177 . 5 . 2 58 58 ASN CB C 13 41.300 0.15 . 1 . . . . B 56 ASN CB . 31301 1 178 . 5 . 2 58 58 ASN CG C 13 177.400 0.15 . 1 . . . . B 56 ASN CG . 31301 1 179 . 5 . 2 58 58 ASN N N 15 116.400 0.75 . 1 . . . . B 56 ASN N . 31301 1 180 . 5 . 2 58 58 ASN ND2 N 15 113.800 0.75 . 1 . . . . B 56 ASN ND2 . 31301 1 181 . 5 . 2 59 59 GLY C C 13 170.800 0.15 . 1 . . . . B 57 GLY C . 31301 1 182 . 5 . 2 59 59 GLY CA C 13 46.700 0.15 . 1 . . . . B 57 GLY CA . 31301 1 183 . 5 . 2 59 59 GLY N N 15 104.700 0.75 . 1 . . . . B 57 GLY N . 31301 1 184 . 5 . 2 60 60 VAL C C 13 174.600 0.15 . 1 . . . . B 58 VAL C . 31301 1 185 . 5 . 2 60 60 VAL CA C 13 60.300 0.15 . 1 . . . . B 58 VAL CA . 31301 1 186 . 5 . 2 60 60 VAL CB C 13 38.100 0.15 . 1 . . . . B 58 VAL CB . 31301 1 187 . 5 . 2 60 60 VAL CG1 C 13 22.200 0.15 . 1 . . . . B 58 VAL CG1 . 31301 1 188 . 5 . 2 60 60 VAL CG2 C 13 21.500 0.15 . 1 . . . . B 58 VAL CG2 . 31301 1 189 . 5 . 2 60 60 VAL N N 15 116.500 0.75 . 1 . . . . B 58 VAL N . 31301 1 190 . 5 . 2 61 61 SER C C 13 172.700 0.15 . 1 . . . . B 59 SER C . 31301 1 191 . 5 . 2 61 61 SER CA C 13 55.100 0.15 . 1 . . . . B 59 SER CA . 31301 1 192 . 5 . 2 61 61 SER CB C 13 65.800 0.15 . 1 . . . . B 59 SER CB . 31301 1 193 . 5 . 2 61 61 SER N N 15 118.800 0.75 . 1 . . . . B 59 SER N . 31301 1 194 . 5 . 2 62 62 GLY C C 13 174.300 0.15 . 1 . . . . B 60 GLY C . 31301 1 195 . 5 . 2 62 62 GLY CA C 13 45.300 0.15 . 1 . . . . B 60 GLY CA . 31301 1 196 . 5 . 2 62 62 GLY N N 15 114.600 0.75 . 1 . . . . B 60 GLY N . 31301 1 197 . 5 . 2 63 63 ILE C C 13 173.900 0.15 . 1 . . . . B 61 ILE C . 31301 1 198 . 5 . 2 63 63 ILE CA C 13 61.000 0.15 . 1 . . . . B 61 ILE CA . 31301 1 199 . 5 . 2 63 63 ILE CB C 13 42.900 0.15 . 1 . . . . B 61 ILE CB . 31301 1 200 . 5 . 2 63 63 ILE CG1 C 13 28.800 0.15 . 1 . . . . B 61 ILE CG1 . 31301 1 201 . 5 . 2 63 63 ILE CG2 C 13 16.700 0.15 . 1 . . . . B 61 ILE CG2 . 31301 1 202 . 5 . 2 63 63 ILE CD1 C 13 14.900 0.15 . 1 . . . . B 61 ILE CD1 . 31301 1 203 . 5 . 2 63 63 ILE N N 15 127.600 0.75 . 1 . . . . B 61 ILE N . 31301 1 204 . 5 . 2 64 64 GLN C C 13 174.000 0.15 . 1 . . . . B 62 GLN C . 31301 1 205 . 5 . 2 64 64 GLN CA C 13 54.100 0.15 . 1 . . . . B 62 GLN CA . 31301 1 206 . 5 . 2 64 64 GLN CB C 13 32.000 0.15 . 1 . . . . B 62 GLN CB . 31301 1 207 . 5 . 2 64 64 GLN CG C 13 33.400 0.15 . 1 . . . . B 62 GLN CG . 31301 1 208 . 5 . 2 64 64 GLN CD C 13 177.900 0.15 . 1 . . . . B 62 GLN CD . 31301 1 209 . 5 . 2 64 64 GLN N N 15 127.000 0.75 . 1 . . . . B 62 GLN N . 31301 1 210 . 5 . 2 64 64 GLN NE2 N 15 113.900 0.75 . 1 . . . . B 62 GLN NE2 . 31301 1 211 . 5 . 2 65 65 ILE C C 13 174.400 0.15 . 1 . . . . B 63 ILE C . 31301 1 212 . 5 . 2 65 65 ILE CA C 13 60.100 0.15 . 1 . . . . B 63 ILE CA . 31301 1 213 . 5 . 2 65 65 ILE CB C 13 39.600 0.15 . 1 . . . . B 63 ILE CB . 31301 1 214 . 5 . 2 65 65 ILE CG1 C 13 27.300 0.15 . 1 . . . . B 63 ILE CG1 . 31301 1 215 . 5 . 2 65 65 ILE CG2 C 13 17.200 0.15 . 1 . . . . B 63 ILE CG2 . 31301 1 216 . 5 . 2 65 65 ILE CD1 C 13 13.700 0.15 . 1 . . . . B 63 ILE CD1 . 31301 1 217 . 5 . 2 65 65 ILE N N 15 124.100 0.75 . 1 . . . . B 63 ILE N . 31301 1 218 . 5 . 2 66 66 GLY C C 13 171.100 0.15 . 1 . . . . B 64 GLY C . 31301 1 219 . 5 . 2 66 66 GLY CA C 13 44.200 0.15 . 1 . . . . B 64 GLY CA . 31301 1 220 . 5 . 2 66 66 GLY N N 15 116.200 0.75 . 1 . . . . B 64 GLY N . 31301 1 221 . 5 . 2 67 67 ASN C C 13 175.100 0.15 . 1 . . . . B 65 ASN C . 31301 1 222 . 5 . 2 67 67 ASN CA C 13 51.100 0.15 . 1 . . . . B 65 ASN CA . 31301 1 223 . 5 . 2 67 67 ASN CB C 13 42.500 0.15 . 1 . . . . B 65 ASN CB . 31301 1 224 . 5 . 2 67 67 ASN CG C 13 177.000 0.15 . 1 . . . . B 65 ASN CG . 31301 1 225 . 5 . 2 67 67 ASN N N 15 117.100 0.75 . 1 . . . . B 65 ASN N . 31301 1 226 . 5 . 2 67 67 ASN ND2 N 15 114.900 0.75 . 1 . . . . B 65 ASN ND2 . 31301 1 227 . 5 . 2 68 68 HIS C C 13 175.100 0.15 . 1 . . . . B 66 HIS C . 31301 1 228 . 5 . 2 68 68 HIS CA C 13 57.300 0.15 . 1 . . . . B 66 HIS CA . 31301 1 229 . 5 . 2 68 68 HIS CB C 13 26.000 0.15 . 1 . . . . B 66 HIS CB . 31301 1 230 . 5 . 2 68 68 HIS CG C 13 129.800 0.15 . 1 . . . . B 66 HIS CG . 31301 1 231 . 5 . 2 68 68 HIS CD2 C 13 119.300 0.15 . 1 . . . . B 66 HIS CD2 . 31301 1 232 . 5 . 2 68 68 HIS CE1 C 13 137.900 0.15 . 1 . . . . B 66 HIS CE1 . 31301 1 233 . 5 . 2 68 68 HIS N N 15 111.300 0.75 . 1 . . . . B 66 HIS N . 31301 1 234 . 5 . 2 69 69 ASN C C 13 175.000 0.15 . 1 . . . . B 67 ASN C . 31301 1 235 . 5 . 2 69 69 ASN CA C 13 52.800 0.15 . 1 . . . . B 67 ASN CA . 31301 1 236 . 5 . 2 69 69 ASN CB C 13 39.900 0.15 . 1 . . . . B 67 ASN CB . 31301 1 237 . 5 . 2 69 69 ASN CG C 13 176.000 0.15 . 1 . . . . B 67 ASN CG . 31301 1 238 . 5 . 2 69 69 ASN N N 15 117.700 0.75 . 1 . . . . B 67 ASN N . 31301 1 239 . 5 . 2 69 69 ASN ND2 N 15 114.500 0.75 . 1 . . . . B 67 ASN ND2 . 31301 1 240 . 5 . 2 70 70 ALA C C 13 176.000 0.15 . 1 . . . . B 68 ALA C . 31301 1 241 . 5 . 2 70 70 ALA CA C 13 50.900 0.15 . 1 . . . . B 68 ALA CA . 31301 1 242 . 5 . 2 70 70 ALA CB C 13 22.500 0.15 . 1 . . . . B 68 ALA CB . 31301 1 243 . 5 . 2 70 70 ALA N N 15 122.600 0.75 . 1 . . . . B 68 ALA N . 31301 1 244 . 5 . 2 71 71 MET C C 13 173.900 0.15 . 1 . . . . B 69 MET C . 31301 1 245 . 5 . 2 71 71 MET CA C 13 54.400 0.15 . 1 . . . . B 69 MET CA . 31301 1 246 . 5 . 2 71 71 MET CB C 13 38.700 0.15 . 1 . . . . B 69 MET CB . 31301 1 247 . 5 . 2 71 71 MET CG C 13 30.700 0.15 . 1 . . . . B 69 MET CG . 31301 1 248 . 5 . 2 71 71 MET CE C 13 15.300 0.15 . 1 . . . . B 69 MET CE . 31301 1 249 . 5 . 2 71 71 MET N N 15 126.100 0.75 . 1 . . . . B 69 MET N . 31301 1 250 . 5 . 2 72 72 SER C C 13 173.100 0.15 . 1 . . . . B 70 SER C . 31301 1 251 . 5 . 2 72 72 SER CA C 13 55.000 0.15 . 1 . . . . B 70 SER CA . 31301 1 252 . 5 . 2 72 72 SER CB C 13 64.700 0.15 . 1 . . . . B 70 SER CB . 31301 1 253 . 5 . 2 72 72 SER N N 15 119.100 0.75 . 1 . . . . B 70 SER N . 31301 1 254 . 5 . 2 73 73 ILE C C 13 175.900 0.15 . 1 . . . . B 71 ILE C . 31301 1 255 . 5 . 2 73 73 ILE CA C 13 60.200 0.15 . 1 . . . . B 71 ILE CA . 31301 1 256 . 5 . 2 73 73 ILE CB C 13 42.600 0.15 . 1 . . . . B 71 ILE CB . 31301 1 257 . 5 . 2 73 73 ILE CG1 C 13 27.700 0.15 . 1 . . . . B 71 ILE CG1 . 31301 1 258 . 5 . 2 73 73 ILE CG2 C 13 17.400 0.15 . 1 . . . . B 71 ILE CG2 . 31301 1 259 . 5 . 2 73 73 ILE CD1 C 13 13.900 0.15 . 1 . . . . B 71 ILE CD1 . 31301 1 260 . 5 . 2 73 73 ILE N N 15 126.000 0.75 . 1 . . . . B 71 ILE N . 31301 1 261 . 5 . 2 74 74 ALA C C 13 175.400 0.15 . 1 . . . . B 72 ALA C . 31301 1 262 . 5 . 2 74 74 ALA CA C 13 50.300 0.15 . 1 . . . . B 72 ALA CA . 31301 1 263 . 5 . 2 74 74 ALA CB C 13 20.900 0.15 . 1 . . . . B 72 ALA CB . 31301 1 264 . 5 . 2 74 74 ALA N N 15 131.400 0.75 . 1 . . . . B 72 ALA N . 31301 1 265 . 5 . 2 75 75 SER C C 13 173.100 0.15 . 1 . . . . B 73 SER C . 31301 1 266 . 5 . 2 75 75 SER CA C 13 56.100 0.15 . 1 . . . . B 73 SER CA . 31301 1 267 . 5 . 2 75 75 SER CB C 13 64.700 0.15 . 1 . . . . B 73 SER CB . 31301 1 268 . 5 . 2 75 75 SER N N 15 116.000 0.75 . 1 . . . . B 73 SER N . 31301 1 269 . 5 . 2 76 76 CYS C C 13 175.000 0.15 . 1 . . . . B 74 CYS C . 31301 1 270 . 5 . 2 76 76 CYS CB C 13 32.300 0.15 . 1 . . . . B 74 CYS CB . 31301 1 271 . 5 . 2 77 77 TRP C C 13 174.900 0.15 . 1 . . . . B 75 TRP C . 31301 1 272 . 5 . 2 77 77 TRP CA C 13 57.800 0.15 . 1 . . . . B 75 TRP CA . 31301 1 273 . 5 . 2 77 77 TRP CB C 13 30.300 0.15 . 1 . . . . B 75 TRP CB . 31301 1 274 . 5 . 2 77 77 TRP CG C 13 111.200 0.15 . 1 . . . . B 75 TRP CG . 31301 1 275 . 5 . 2 77 77 TRP CE2 C 13 138.200 0.15 . 1 . . . . B 75 TRP CE2 . 31301 1 276 . 5 . 2 77 77 TRP CE3 C 13 119.800 0.15 . 1 . . . . B 75 TRP CE3 . 31301 1 277 . 5 . 2 77 77 TRP CH2 C 13 123.700 0.15 . 1 . . . . B 75 TRP CH2 . 31301 1 stop_ save_