data_17478 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17478 _Entry.Title ; Structure of cIAP1 CARD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-21 _Entry.Accession_date 2011-02-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Caspase recruitment domain of cIAP1' _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.Entry_ID 1 Mark Hinds . G. . 17478 2 Gilles Rautureau . 'J. P.' . 17478 3 Catherine Day . L. . 17478 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17478 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID apoptosis . 17478 CARD . 17478 caspase . 17478 IAP . 17478 'inhibitor of apoptosis' . 17478 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17478 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 156 17478 '15N chemical shifts' 149 17478 '1H chemical shifts' 165 17478 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 2 . . 2011-06-24 2011-02-21 update BMRB 'update entry citation' 17478 1 . . 2011-05-12 2011-02-21 original author 'original release' 17478 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L9M 'BMRB Entry Tracking System' 17478 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17478 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21549626 _Citation.Full_citation . _Citation.Title 'CARD-Mediated Autoinhibition of cIAP1's E3 Ligase Activity Suppresses Cell Proliferation and Migration.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume 42 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 569 _Citation.Page_last 583 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Juanita Lopez . . . 17478 1 2 'Sidonie Wicky' John . . . 17478 1 3 Tencho Tenev . . . 17478 1 4 Gilles Rautureau . J.P. . 17478 1 5 Mark Hinds . G. . 17478 1 6 Floriana Francalanci . . . 17478 1 7 Rebecca Wilson . . . 17478 1 8 Meike Broemer . . . 17478 1 9 Massimo Santoro . M. . 17478 1 10 Catherine Day . L. . 17478 1 11 Pascal Meier . . . 17478 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17478 _Assembly.ID 1 _Assembly.Name 'cIAP1 CARD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'cIAP1 CARD' 1 $cIAP1-CARD A . yes native no no . . . 17478 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cIAP1-CARD _Entity.Sf_category entity _Entity.Sf_framecode cIAP1-CARD _Entity.Entry_ID 17478 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cIAP1-CARD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLNAEDEKREEEKEKQA EEMASDDLSLIRKNRMALFQ QLTCVLPILDNLLKANVINK QEHDIIKQKTQIPLQARELI DTILVKGNAAANIFKNCLKE IDSTLYKNLFVDKNMKYIPT EDVSGLSLEEQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 431-562' _Entity.Polymer_author_seq_details ; residues 435-562 of BIRC2_HUMAN (uniprot) with 4 N-terminal vector derived residues residues, numbered 431-434 ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment cIAP1-CARD _Entity.Mutation 'Residues 431-434 are vector-derived' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15147.519 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L9M . "Structure Of Ciap1 Card" . . . . . 100.00 132 100.00 100.00 1.73e-88 . . . . 17478 1 2 no PDB 3T6P . "Iap Antagonist-Induced Conformational Change In Ciap1 Promotes E3 Ligase Activation Via Dimerization" . . . . . 99.24 345 97.71 98.47 8.42e-81 . . . . 17478 1 3 no DBJ BAG10600 . "baculoviral IAP repeat-containing protein 2 [synthetic construct]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 4 no DBJ BAG36235 . "unnamed protein product [Homo sapiens]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 5 no DBJ BAG64288 . "unnamed protein product [Homo sapiens]" . . . . . 99.24 569 98.47 99.24 2.91e-80 . . . . 17478 1 6 no EMBL CAH91479 . "hypothetical protein [Pongo abelii]" . . . . . 99.24 597 98.47 99.24 1.89e-79 . . . . 17478 1 7 no GB AAC41942 . "TNFR2-TRAF signalling complex protein [Homo sapiens]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 8 no GB AAC50372 . "inhibitor of apoptosis protein 2 [Homo sapiens]" . . . . . 99.24 618 97.71 98.47 5.49e-79 . . . . 17478 1 9 no GB AAC50508 . "MIHB [Homo sapiens]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 10 no GB AAH16174 . "Baculoviral IAP repeat-containing 2 [Homo sapiens]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 11 no GB AAH28578 . "BIRC2 protein [Homo sapiens]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 12 no PRF 2205253A . "c-IAP1 protein" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 13 no REF NP_001157 . "baculoviral IAP repeat-containing protein 2 isoform 1 [Homo sapiens]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 14 no REF NP_001243092 . "baculoviral IAP repeat-containing protein 2 isoform 1 [Homo sapiens]" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 1 15 no REF NP_001243095 . "baculoviral IAP repeat-containing protein 2 isoform 2 [Homo sapiens]" . . . . . 99.24 569 98.47 99.24 2.91e-80 . . . . 17478 1 16 no REF NP_001248250 . "baculoviral IAP repeat containing 2 [Macaca mulatta]" . . . . . 99.24 618 96.95 99.24 4.35e-79 . . . . 17478 1 17 no REF XP_001152534 . "PREDICTED: baculoviral IAP repeat-containing protein 2 isoform X1 [Pan troglodytes]" . . . . . 99.24 618 97.71 99.24 7.39e-79 . . . . 17478 1 18 no SP Q13490 . "RecName: Full=Baculoviral IAP repeat-containing protein 2; AltName: Full=C-IAP1; AltName: Full=IAP homolog B; AltName: Full=Inh" . . . . . 99.24 618 98.47 99.24 2.70e-79 . . . . 17478 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 1 431 GLY . 17478 1 2 432 SER . 17478 1 3 433 HIS . 17478 1 4 434 MET . 17478 1 5 435 LEU . 17478 1 6 436 ASN . 17478 1 7 437 ALA . 17478 1 8 438 GLU . 17478 1 9 439 ASP . 17478 1 10 440 GLU . 17478 1 11 441 LYS . 17478 1 12 442 ARG . 17478 1 13 443 GLU . 17478 1 14 444 GLU . 17478 1 15 445 GLU . 17478 1 16 446 LYS . 17478 1 17 447 GLU . 17478 1 18 448 LYS . 17478 1 19 449 GLN . 17478 1 20 450 ALA . 17478 1 21 451 GLU . 17478 1 22 452 GLU . 17478 1 23 453 MET . 17478 1 24 454 ALA . 17478 1 25 455 SER . 17478 1 26 456 ASP . 17478 1 27 457 ASP . 17478 1 28 458 LEU . 17478 1 29 459 SER . 17478 1 30 460 LEU . 17478 1 31 461 ILE . 17478 1 32 462 ARG . 17478 1 33 463 LYS . 17478 1 34 464 ASN . 17478 1 35 465 ARG . 17478 1 36 466 MET . 17478 1 37 467 ALA . 17478 1 38 468 LEU . 17478 1 39 469 PHE . 17478 1 40 470 GLN . 17478 1 41 471 GLN . 17478 1 42 472 LEU . 17478 1 43 473 THR . 17478 1 44 474 CYS . 17478 1 45 475 VAL . 17478 1 46 476 LEU . 17478 1 47 477 PRO . 17478 1 48 478 ILE . 17478 1 49 479 LEU . 17478 1 50 480 ASP . 17478 1 51 481 ASN . 17478 1 52 482 LEU . 17478 1 53 483 LEU . 17478 1 54 484 LYS . 17478 1 55 485 ALA . 17478 1 56 486 ASN . 17478 1 57 487 VAL . 17478 1 58 488 ILE . 17478 1 59 489 ASN . 17478 1 60 490 LYS . 17478 1 61 491 GLN . 17478 1 62 492 GLU . 17478 1 63 493 HIS . 17478 1 64 494 ASP . 17478 1 65 495 ILE . 17478 1 66 496 ILE . 17478 1 67 497 LYS . 17478 1 68 498 GLN . 17478 1 69 499 LYS . 17478 1 70 500 THR . 17478 1 71 501 GLN . 17478 1 72 502 ILE . 17478 1 73 503 PRO . 17478 1 74 504 LEU . 17478 1 75 505 GLN . 17478 1 76 506 ALA . 17478 1 77 507 ARG . 17478 1 78 508 GLU . 17478 1 79 509 LEU . 17478 1 80 510 ILE . 17478 1 81 511 ASP . 17478 1 82 512 THR . 17478 1 83 513 ILE . 17478 1 84 514 LEU . 17478 1 85 515 VAL . 17478 1 86 516 LYS . 17478 1 87 517 GLY . 17478 1 88 518 ASN . 17478 1 89 519 ALA . 17478 1 90 520 ALA . 17478 1 91 521 ALA . 17478 1 92 522 ASN . 17478 1 93 523 ILE . 17478 1 94 524 PHE . 17478 1 95 525 LYS . 17478 1 96 526 ASN . 17478 1 97 527 CYS . 17478 1 98 528 LEU . 17478 1 99 529 LYS . 17478 1 100 530 GLU . 17478 1 101 531 ILE . 17478 1 102 532 ASP . 17478 1 103 533 SER . 17478 1 104 534 THR . 17478 1 105 535 LEU . 17478 1 106 536 TYR . 17478 1 107 537 LYS . 17478 1 108 538 ASN . 17478 1 109 539 LEU . 17478 1 110 540 PHE . 17478 1 111 541 VAL . 17478 1 112 542 ASP . 17478 1 113 543 LYS . 17478 1 114 544 ASN . 17478 1 115 545 MET . 17478 1 116 546 LYS . 17478 1 117 547 TYR . 17478 1 118 548 ILE . 17478 1 119 549 PRO . 17478 1 120 550 THR . 17478 1 121 551 GLU . 17478 1 122 552 ASP . 17478 1 123 553 VAL . 17478 1 124 554 SER . 17478 1 125 555 GLY . 17478 1 126 556 LEU . 17478 1 127 557 SER . 17478 1 128 558 LEU . 17478 1 129 559 GLU . 17478 1 130 560 GLU . 17478 1 131 561 GLN . 17478 1 132 562 LEU . 17478 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 17478 1 . SER 2 2 17478 1 . HIS 3 3 17478 1 . MET 4 4 17478 1 . LEU 5 5 17478 1 . ASN 6 6 17478 1 . ALA 7 7 17478 1 . GLU 8 8 17478 1 . ASP 9 9 17478 1 . GLU 10 10 17478 1 . LYS 11 11 17478 1 . ARG 12 12 17478 1 . GLU 13 13 17478 1 . GLU 14 14 17478 1 . GLU 15 15 17478 1 . LYS 16 16 17478 1 . GLU 17 17 17478 1 . LYS 18 18 17478 1 . GLN 19 19 17478 1 . ALA 20 20 17478 1 . GLU 21 21 17478 1 . GLU 22 22 17478 1 . MET 23 23 17478 1 . ALA 24 24 17478 1 . SER 25 25 17478 1 . ASP 26 26 17478 1 . ASP 27 27 17478 1 . LEU 28 28 17478 1 . SER 29 29 17478 1 . LEU 30 30 17478 1 . ILE 31 31 17478 1 . ARG 32 32 17478 1 . LYS 33 33 17478 1 . ASN 34 34 17478 1 . ARG 35 35 17478 1 . MET 36 36 17478 1 . ALA 37 37 17478 1 . LEU 38 38 17478 1 . PHE 39 39 17478 1 . GLN 40 40 17478 1 . GLN 41 41 17478 1 . LEU 42 42 17478 1 . THR 43 43 17478 1 . CYS 44 44 17478 1 . VAL 45 45 17478 1 . LEU 46 46 17478 1 . PRO 47 47 17478 1 . ILE 48 48 17478 1 . LEU 49 49 17478 1 . ASP 50 50 17478 1 . ASN 51 51 17478 1 . LEU 52 52 17478 1 . LEU 53 53 17478 1 . LYS 54 54 17478 1 . ALA 55 55 17478 1 . ASN 56 56 17478 1 . VAL 57 57 17478 1 . ILE 58 58 17478 1 . ASN 59 59 17478 1 . LYS 60 60 17478 1 . GLN 61 61 17478 1 . GLU 62 62 17478 1 . HIS 63 63 17478 1 . ASP 64 64 17478 1 . ILE 65 65 17478 1 . ILE 66 66 17478 1 . LYS 67 67 17478 1 . GLN 68 68 17478 1 . LYS 69 69 17478 1 . THR 70 70 17478 1 . GLN 71 71 17478 1 . ILE 72 72 17478 1 . PRO 73 73 17478 1 . LEU 74 74 17478 1 . GLN 75 75 17478 1 . ALA 76 76 17478 1 . ARG 77 77 17478 1 . GLU 78 78 17478 1 . LEU 79 79 17478 1 . ILE 80 80 17478 1 . ASP 81 81 17478 1 . THR 82 82 17478 1 . ILE 83 83 17478 1 . LEU 84 84 17478 1 . VAL 85 85 17478 1 . LYS 86 86 17478 1 . GLY 87 87 17478 1 . ASN 88 88 17478 1 . ALA 89 89 17478 1 . ALA 90 90 17478 1 . ALA 91 91 17478 1 . ASN 92 92 17478 1 . ILE 93 93 17478 1 . PHE 94 94 17478 1 . LYS 95 95 17478 1 . ASN 96 96 17478 1 . CYS 97 97 17478 1 . LEU 98 98 17478 1 . LYS 99 99 17478 1 . GLU 100 100 17478 1 . ILE 101 101 17478 1 . ASP 102 102 17478 1 . SER 103 103 17478 1 . THR 104 104 17478 1 . LEU 105 105 17478 1 . TYR 106 106 17478 1 . LYS 107 107 17478 1 . ASN 108 108 17478 1 . LEU 109 109 17478 1 . PHE 110 110 17478 1 . VAL 111 111 17478 1 . ASP 112 112 17478 1 . LYS 113 113 17478 1 . ASN 114 114 17478 1 . MET 115 115 17478 1 . LYS 116 116 17478 1 . TYR 117 117 17478 1 . ILE 118 118 17478 1 . PRO 119 119 17478 1 . THR 120 120 17478 1 . GLU 121 121 17478 1 . ASP 122 122 17478 1 . VAL 123 123 17478 1 . SER 124 124 17478 1 . GLY 125 125 17478 1 . LEU 126 126 17478 1 . SER 127 127 17478 1 . LEU 128 128 17478 1 . GLU 129 129 17478 1 . GLU 130 130 17478 1 . GLN 131 131 17478 1 . LEU 132 132 17478 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17478 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cIAP1-CARD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . BIRC2 . . . . 17478 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 17478 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cIAP1-CARD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pGEX:4T-3 . . . . . . 17478 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17478 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cIAP1-CARD 'natural abundance' . . 1 $cIAP1-CARD . . 1 . . mM . . . . 17478 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17478 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17478 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 17478 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17478 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17478 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17478 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cIAP1-CARD '[U-100% 15N]' . . 1 $cIAP1-CARD . . 1 . . mM . . . . 17478 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17478 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17478 2 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 17478 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17478 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17478 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17478 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cIAP1-CARD '[U-100% 13C; U-100% 15N]' . . 1 $cIAP1-CARD . . 0.4 . . mM . . . . 17478 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17478 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17478 3 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 17478 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17478 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17478 3 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 17478 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.140 . M 17478 1 pH 5.5 . pH 17478 1 pressure 1 . atm 17478 1 temperature 303.15 . K 17478 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17478 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17478 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17478 1 processing 17478 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17478 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17478 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17478 2 'peak picking' 17478 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17478 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17478 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17478 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17478 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17478 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17478 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17478 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17478 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17478 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17478 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With cryogenically cooled triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17478 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryogenically cooled triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17478 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with cryogenically cooled triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17478 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'room temperature triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17478 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'With cryogenically cooled triple resonance probe' . . 17478 1 2 spectrometer_2 Bruker Avance . 600 'with cryogenically cooled triple resonance probe' . . 17478 1 3 spectrometer_3 Bruker Avance . 500 'with cryogenically cooled triple resonance probe' . . 17478 1 4 spectrometer_4 Bruker DRX . 600 'room temperature triple resonance probe' . . 17478 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 17478 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 3 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 4 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 5 CC(CO)NH no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 6 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 8 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 9 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17478 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17478 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17478 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17478 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17478 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 17478 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17478 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 3 '3D HNCA' . . . 17478 1 4 '3D HNCACB' . . . 17478 1 8 '3D HNHA' . . . 17478 1 11 '3D 1H-13C NOESY' . . . 17478 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 170.325 0.2 . 1 . . . A 431 GLY C . 17478 1 2 . 1 1 2 2 SER H H 1 8.648 0.05 . 1 . . . A 432 SER H . 17478 1 3 . 1 1 2 2 SER C C 13 174.310 0.2 . 1 . . . A 432 SER C . 17478 1 4 . 1 1 2 2 SER N N 15 115.227 0.5 . 1 . . . A 432 SER N . 17478 1 5 . 1 1 3 3 HIS H H 1 8.656 0.05 . 1 . . . A 433 HIS H . 17478 1 6 . 1 1 3 3 HIS C C 13 174.348 0.2 . 1 . . . A 433 HIS C . 17478 1 7 . 1 1 3 3 HIS N N 15 120.707 0.5 . 1 . . . A 433 HIS N . 17478 1 8 . 1 1 4 4 MET H H 1 8.430 0.05 . 1 . . . A 434 MET H . 17478 1 9 . 1 1 4 4 MET C C 13 175.878 0.2 . 1 . . . A 434 MET C . 17478 1 10 . 1 1 4 4 MET N N 15 121.919 0.5 . 1 . . . A 434 MET N . 17478 1 11 . 1 1 5 5 LEU H H 1 8.342 0.05 . 1 . . . A 435 LEU H . 17478 1 12 . 1 1 5 5 LEU C C 13 177.002 0.2 . 1 . . . A 435 LEU C . 17478 1 13 . 1 1 5 5 LEU N N 15 123.471 0.5 . 1 . . . A 435 LEU N . 17478 1 14 . 1 1 6 6 ASN H H 1 8.531 0.05 . 1 . . . A 436 ASN H . 17478 1 15 . 1 1 6 6 ASN HD21 H 1 6.910 0.05 . 2 . . . A 436 ASN HD21 . 17478 1 16 . 1 1 6 6 ASN HD22 H 1 7.611 0.05 . 2 . . . A 436 ASN HD22 . 17478 1 17 . 1 1 6 6 ASN C C 13 175.082 0.2 . 1 . . . A 436 ASN C . 17478 1 18 . 1 1 6 6 ASN CG C 13 177.052 0.2 . 1 . . . A 436 ASN CG . 17478 1 19 . 1 1 6 6 ASN N N 15 119.448 0.5 . 1 . . . A 436 ASN N . 17478 1 20 . 1 1 6 6 ASN ND2 N 15 112.947 0.5 . 1 . . . A 436 ASN ND2 . 17478 1 21 . 1 1 7 7 ALA H H 1 8.361 0.05 . 1 . . . A 437 ALA H . 17478 1 22 . 1 1 7 7 ALA C C 13 178.531 0.2 . 1 . . . A 437 ALA C . 17478 1 23 . 1 1 7 7 ALA N N 15 124.231 0.5 . 1 . . . A 437 ALA N . 17478 1 24 . 1 1 8 8 GLU H H 1 8.444 0.05 . 1 . . . A 438 GLU H . 17478 1 25 . 1 1 8 8 GLU C C 13 177.095 0.2 . 1 . . . A 438 GLU C . 17478 1 26 . 1 1 8 8 GLU N N 15 118.906 0.5 . 1 . . . A 438 GLU N . 17478 1 27 . 1 1 9 9 ASP H H 1 8.185 0.05 . 1 . . . A 439 ASP H . 17478 1 28 . 1 1 9 9 ASP C C 13 176.947 0.2 . 1 . . . A 439 ASP C . 17478 1 29 . 1 1 9 9 ASP CG C 13 179.688 0.2 . 1 . . . A 439 ASP CG . 17478 1 30 . 1 1 9 9 ASP N N 15 120.485 0.5 . 1 . . . A 439 ASP N . 17478 1 31 . 1 1 10 10 GLU H H 1 8.196 0.05 . 1 . . . A 440 GLU H . 17478 1 32 . 1 1 10 10 GLU N N 15 120.980 0.5 . 1 . . . A 440 GLU N . 17478 1 33 . 1 1 11 11 LYS H H 1 8.169 0.05 . 1 . . . A 441 LYS H . 17478 1 34 . 1 1 11 11 LYS C C 13 177.254 0.2 . 1 . . . A 441 LYS C . 17478 1 35 . 1 1 11 11 LYS N N 15 121.743 0.5 . 1 . . . A 441 LYS N . 17478 1 36 . 1 1 12 12 ARG H H 1 8.299 0.05 . 1 . . . A 442 ARG H . 17478 1 37 . 1 1 12 12 ARG HE H 1 7.327 0.05 . 1 . . . A 442 ARG HE . 17478 1 38 . 1 1 12 12 ARG C C 13 176.793 0.2 . 1 . . . A 442 ARG C . 17478 1 39 . 1 1 12 12 ARG N N 15 121.076 0.5 . 1 . . . A 442 ARG N . 17478 1 40 . 1 1 12 12 ARG NE N 15 114.833 0.5 . 1 . . . A 442 ARG NE . 17478 1 41 . 1 1 13 13 GLU H H 1 8.426 0.05 . 1 . . . A 443 GLU H . 17478 1 42 . 1 1 13 13 GLU N N 15 121.853 0.5 . 1 . . . A 443 GLU N . 17478 1 43 . 1 1 14 14 GLU C C 13 177.254 0.2 . 1 . . . A 444 GLU C . 17478 1 44 . 1 1 15 15 GLU H H 1 8.390 0.05 . 1 . . . A 445 GLU H . 17478 1 45 . 1 1 15 15 GLU N N 15 121.543 0.5 . 1 . . . A 445 GLU N . 17478 1 46 . 1 1 16 16 LYS H H 1 8.113 0.05 . 1 . . . A 446 LYS H . 17478 1 47 . 1 1 16 16 LYS C C 13 177.508 0.2 . 1 . . . A 446 LYS C . 17478 1 48 . 1 1 16 16 LYS N N 15 121.520 0.5 . 1 . . . A 446 LYS N . 17478 1 49 . 1 1 17 17 GLU H H 1 8.297 0.05 . 1 . . . A 447 GLU H . 17478 1 50 . 1 1 17 17 GLU C C 13 174.355 0.2 . 1 . . . A 447 GLU C . 17478 1 51 . 1 1 17 17 GLU N N 15 120.938 0.5 . 1 . . . A 447 GLU N . 17478 1 52 . 1 1 18 18 LYS H H 1 8.153 0.05 . 1 . . . A 448 LYS H . 17478 1 53 . 1 1 18 18 LYS C C 13 177.134 0.2 . 1 . . . A 448 LYS C . 17478 1 54 . 1 1 18 18 LYS N N 15 121.527 0.5 . 1 . . . A 448 LYS N . 17478 1 55 . 1 1 19 19 GLN H H 1 8.290 0.05 . 1 . . . A 449 GLN H . 17478 1 56 . 1 1 19 19 GLN HE21 H 1 6.839 0.05 . 2 . . . A 449 GLN HE21 . 17478 1 57 . 1 1 19 19 GLN HE22 H 1 7.548 0.05 . 2 . . . A 449 GLN HE22 . 17478 1 58 . 1 1 19 19 GLN C C 13 176.362 0.2 . 1 . . . A 449 GLN C . 17478 1 59 . 1 1 19 19 GLN CD C 13 180.536 0.2 . 1 . . . A 449 GLN CD . 17478 1 60 . 1 1 19 19 GLN N N 15 121.177 0.5 . 1 . . . A 449 GLN N . 17478 1 61 . 1 1 19 19 GLN NE2 N 15 112.258 0.5 . 1 . . . A 449 GLN NE2 . 17478 1 62 . 1 1 20 20 ALA H H 1 8.239 0.05 . 1 . . . A 450 ALA H . 17478 1 63 . 1 1 20 20 ALA C C 13 176.377 0.2 . 1 . . . A 450 ALA C . 17478 1 64 . 1 1 20 20 ALA N N 15 124.540 0.5 . 1 . . . A 450 ALA N . 17478 1 65 . 1 1 21 21 GLU H H 1 8.302 0.05 . 1 . . . A 451 GLU H . 17478 1 66 . 1 1 21 21 GLU C C 13 177.033 0.2 . 1 . . . A 451 GLU C . 17478 1 67 . 1 1 21 21 GLU N N 15 119.800 0.5 . 1 . . . A 451 GLU N . 17478 1 68 . 1 1 22 22 GLU H H 1 8.299 0.05 . 1 . . . A 452 GLU H . 17478 1 69 . 1 1 22 22 GLU C C 13 176.268 0.2 . 1 . . . A 452 GLU C . 17478 1 70 . 1 1 22 22 GLU N N 15 121.360 0.5 . 1 . . . A 452 GLU N . 17478 1 71 . 1 1 23 23 MET C C 13 176.261 0.2 . 1 . . . A 453 MET C . 17478 1 72 . 1 1 24 24 ALA H H 1 8.251 0.05 . 1 . . . A 454 ALA H . 17478 1 73 . 1 1 24 24 ALA C C 13 177.985 0.2 . 1 . . . A 454 ALA C . 17478 1 74 . 1 1 24 24 ALA N N 15 125.525 0.5 . 1 . . . A 454 ALA N . 17478 1 75 . 1 1 25 25 SER H H 1 8.583 0.05 . 1 . . . A 455 SER H . 17478 1 76 . 1 1 25 25 SER C C 13 174.676 0.2 . 1 . . . A 455 SER C . 17478 1 77 . 1 1 25 25 SER N N 15 116.409 0.5 . 1 . . . A 455 SER N . 17478 1 78 . 1 1 26 26 ASP H H 1 8.504 0.05 . 1 . . . A 456 ASP H . 17478 1 79 . 1 1 26 26 ASP C C 13 177.267 0.2 . 1 . . . A 456 ASP C . 17478 1 80 . 1 1 26 26 ASP CG C 13 180.009 0.2 . 1 . . . A 456 ASP CG . 17478 1 81 . 1 1 26 26 ASP N N 15 122.162 0.5 . 1 . . . A 456 ASP N . 17478 1 82 . 1 1 27 27 ASP H H 1 8.300 0.05 . 1 . . . A 457 ASP H . 17478 1 83 . 1 1 27 27 ASP C C 13 177.985 0.2 . 1 . . . A 457 ASP C . 17478 1 84 . 1 1 27 27 ASP CG C 13 177.760 0.2 . 1 . . . A 457 ASP CG . 17478 1 85 . 1 1 27 27 ASP N N 15 120.180 0.5 . 1 . . . A 457 ASP N . 17478 1 86 . 1 1 28 28 LEU H H 1 8.222 0.05 . 1 . . . A 458 LEU H . 17478 1 87 . 1 1 28 28 LEU C C 13 178.999 0.2 . 1 . . . A 458 LEU C . 17478 1 88 . 1 1 28 28 LEU N N 15 120.222 0.5 . 1 . . . A 458 LEU N . 17478 1 89 . 1 1 29 29 SER H H 1 8.216 0.05 . 1 . . . A 459 SER H . 17478 1 90 . 1 1 29 29 SER C C 13 176.768 0.2 . 1 . . . A 459 SER C . 17478 1 91 . 1 1 29 29 SER N N 15 114.692 0.5 . 1 . . . A 459 SER N . 17478 1 92 . 1 1 30 30 LEU H H 1 8.008 0.05 . 1 . . . A 460 LEU H . 17478 1 93 . 1 1 30 30 LEU C C 13 179.811 0.2 . 1 . . . A 460 LEU C . 17478 1 94 . 1 1 30 30 LEU N N 15 122.880 0.5 . 1 . . . A 460 LEU N . 17478 1 95 . 1 1 31 31 ILE H H 1 7.854 0.05 . 1 . . . A 461 ILE H . 17478 1 96 . 1 1 31 31 ILE C C 13 176.424 0.2 . 1 . . . A 461 ILE C . 17478 1 97 . 1 1 31 31 ILE N N 15 120.840 0.5 . 1 . . . A 461 ILE N . 17478 1 98 . 1 1 32 32 ARG H H 1 8.169 0.05 . 1 . . . A 462 ARG H . 17478 1 99 . 1 1 32 32 ARG HE H 1 7.388 0.05 . 1 . . . A 462 ARG HE . 17478 1 100 . 1 1 32 32 ARG C C 13 179.717 0.2 . 1 . . . A 462 ARG C . 17478 1 101 . 1 1 32 32 ARG N N 15 117.689 0.5 . 1 . . . A 462 ARG N . 17478 1 102 . 1 1 32 32 ARG NE N 15 83.327 0.5 . 1 . . . A 462 ARG NE . 17478 1 103 . 1 1 33 33 LYS H H 1 8.452 0.05 . 1 . . . A 463 LYS H . 17478 1 104 . 1 1 33 33 LYS C C 13 177.579 0.2 . 1 . . . A 463 LYS C . 17478 1 105 . 1 1 33 33 LYS N N 15 117.858 0.5 . 1 . . . A 463 LYS N . 17478 1 106 . 1 1 34 34 ASN H H 1 7.225 0.05 . 1 . . . A 464 ASN H . 17478 1 107 . 1 1 34 34 ASN HD21 H 1 7.292 0.05 . 2 . . . A 464 ASN HD21 . 17478 1 108 . 1 1 34 34 ASN HD22 H 1 7.677 0.05 . 2 . . . A 464 ASN HD22 . 17478 1 109 . 1 1 34 34 ASN C C 13 174.177 0.2 . 1 . . . A 464 ASN C . 17478 1 110 . 1 1 34 34 ASN CG C 13 177.685 0.2 . 1 . . . A 464 ASN CG . 17478 1 111 . 1 1 34 34 ASN N N 15 114.495 0.5 . 1 . . . A 464 ASN N . 17478 1 112 . 1 1 34 34 ASN ND2 N 15 116.106 0.5 . 1 . . . A 464 ASN ND2 . 17478 1 113 . 1 1 35 35 ARG H H 1 7.021 0.05 . 1 . . . A 465 ARG H . 17478 1 114 . 1 1 35 35 ARG C C 13 175.300 0.2 . 1 . . . A 465 ARG C . 17478 1 115 . 1 1 35 35 ARG N N 15 120.672 0.5 . 1 . . . A 465 ARG N . 17478 1 116 . 1 1 36 36 MET H H 1 7.973 0.05 . 1 . . . A 466 MET H . 17478 1 117 . 1 1 36 36 MET C C 13 178.250 0.2 . 1 . . . A 466 MET C . 17478 1 118 . 1 1 36 36 MET N N 15 114.805 0.5 . 1 . . . A 466 MET N . 17478 1 119 . 1 1 37 37 ALA H H 1 7.796 0.05 . 1 . . . A 467 ALA H . 17478 1 120 . 1 1 37 37 ALA C C 13 180.170 0.2 . 1 . . . A 467 ALA C . 17478 1 121 . 1 1 37 37 ALA N N 15 120.882 0.5 . 1 . . . A 467 ALA N . 17478 1 122 . 1 1 38 38 LEU H H 1 8.178 0.05 . 1 . . . A 468 LEU H . 17478 1 123 . 1 1 38 38 LEU C C 13 178.640 0.2 . 1 . . . A 468 LEU C . 17478 1 124 . 1 1 38 38 LEU N N 15 117.197 0.5 . 1 . . . A 468 LEU N . 17478 1 125 . 1 1 39 39 PHE H H 1 8.214 0.05 . 1 . . . A 469 PHE H . 17478 1 126 . 1 1 39 39 PHE C C 13 176.955 0.2 . 1 . . . A 469 PHE C . 17478 1 127 . 1 1 39 39 PHE N N 15 116.803 0.5 . 1 . . . A 469 PHE N . 17478 1 128 . 1 1 40 40 GLN H H 1 7.208 0.05 . 1 . . . A 470 GLN H . 17478 1 129 . 1 1 40 40 GLN HE21 H 1 7.099 0.05 . 2 . . . A 470 GLN HE21 . 17478 1 130 . 1 1 40 40 GLN HE22 H 1 7.318 0.05 . 2 . . . A 470 GLN HE22 . 17478 1 131 . 1 1 40 40 GLN C C 13 177.126 0.2 . 1 . . . A 470 GLN C . 17478 1 132 . 1 1 40 40 GLN CD C 13 180.061 0.2 . 1 . . . A 470 GLN CD . 17478 1 133 . 1 1 40 40 GLN N N 15 114.087 0.5 . 1 . . . A 470 GLN N . 17478 1 134 . 1 1 40 40 GLN NE2 N 15 112.236 0.5 . 1 . . . A 470 GLN NE2 . 17478 1 135 . 1 1 41 41 GLN H H 1 7.688 0.05 . 1 . . . A 471 GLN H . 17478 1 136 . 1 1 41 41 GLN HE21 H 1 6.771 0.05 . 2 . . . A 471 GLN HE21 . 17478 1 137 . 1 1 41 41 GLN HE22 H 1 7.470 0.05 . 2 . . . A 471 GLN HE22 . 17478 1 138 . 1 1 41 41 GLN C C 13 175.862 0.2 . 1 . . . A 471 GLN C . 17478 1 139 . 1 1 41 41 GLN CD C 13 179.398 0.2 . 1 . . . A 471 GLN CD . 17478 1 140 . 1 1 41 41 GLN N N 15 114.748 0.5 . 1 . . . A 471 GLN N . 17478 1 141 . 1 1 41 41 GLN NE2 N 15 110.646 0.5 . 1 . . . A 471 GLN NE2 . 17478 1 142 . 1 1 42 42 LEU H H 1 8.182 0.05 . 1 . . . A 472 LEU H . 17478 1 143 . 1 1 42 42 LEU C C 13 175.893 0.2 . 1 . . . A 472 LEU C . 17478 1 144 . 1 1 42 42 LEU N N 15 121.642 0.5 . 1 . . . A 472 LEU N . 17478 1 145 . 1 1 43 43 THR H H 1 8.726 0.05 . 1 . . . A 473 THR H . 17478 1 146 . 1 1 43 43 THR C C 13 175.176 0.2 . 1 . . . A 473 THR C . 17478 1 147 . 1 1 43 43 THR N N 15 114.819 0.5 . 1 . . . A 473 THR N . 17478 1 148 . 1 1 44 44 CYS H H 1 7.665 0.05 . 1 . . . A 474 CYS H . 17478 1 149 . 1 1 44 44 CYS C C 13 173.662 0.2 . 1 . . . A 474 CYS C . 17478 1 150 . 1 1 44 44 CYS N N 15 122.380 0.5 . 1 . . . A 474 CYS N . 17478 1 151 . 1 1 45 45 VAL H H 1 7.795 0.05 . 1 . . . A 475 VAL H . 17478 1 152 . 1 1 45 45 VAL C C 13 177.517 0.2 . 1 . . . A 475 VAL C . 17478 1 153 . 1 1 45 45 VAL N N 15 118.266 0.5 . 1 . . . A 475 VAL N . 17478 1 154 . 1 1 46 46 LEU H H 1 8.799 0.05 . 1 . . . A 476 LEU H . 17478 1 155 . 1 1 46 46 LEU C C 13 175.535 0.2 . 1 . . . A 476 LEU C . 17478 1 156 . 1 1 46 46 LEU N N 15 120.600 0.5 . 1 . . . A 476 LEU N . 17478 1 157 . 1 1 47 47 PRO C C 13 180.014 0.2 . 1 . . . A 477 PRO C . 17478 1 158 . 1 1 47 47 PRO N N 15 133.989 0.5 . 1 . . . A 477 PRO N . 17478 1 159 . 1 1 48 48 ILE H H 1 6.893 0.05 . 1 . . . A 478 ILE H . 17478 1 160 . 1 1 48 48 ILE C C 13 177.720 0.2 . 1 . . . A 478 ILE C . 17478 1 161 . 1 1 48 48 ILE N N 15 115.705 0.5 . 1 . . . A 478 ILE N . 17478 1 162 . 1 1 49 49 LEU H H 1 8.414 0.05 . 1 . . . A 479 LEU H . 17478 1 163 . 1 1 49 49 LEU C C 13 179.327 0.2 . 1 . . . A 479 LEU C . 17478 1 164 . 1 1 49 49 LEU N N 15 121.022 0.5 . 1 . . . A 479 LEU N . 17478 1 165 . 1 1 50 50 ASP H H 1 8.789 0.05 . 1 . . . A 480 ASP H . 17478 1 166 . 1 1 50 50 ASP C C 13 178.921 0.2 . 1 . . . A 480 ASP C . 17478 1 167 . 1 1 50 50 ASP CG C 13 178.108 0.2 . 1 . . . A 480 ASP CG . 17478 1 168 . 1 1 50 50 ASP N N 15 118.294 0.5 . 1 . . . A 480 ASP N . 17478 1 169 . 1 1 51 51 ASN H H 1 7.806 0.05 . 1 . . . A 481 ASN H . 17478 1 170 . 1 1 51 51 ASN HD21 H 1 7.182 0.05 . 2 . . . A 481 ASN HD21 . 17478 1 171 . 1 1 51 51 ASN HD22 H 1 7.213 0.05 . 2 . . . A 481 ASN HD22 . 17478 1 172 . 1 1 51 51 ASN C C 13 178.594 0.2 . 1 . . . A 481 ASN C . 17478 1 173 . 1 1 51 51 ASN CG C 13 175.789 0.2 . 1 . . . A 481 ASN CG . 17478 1 174 . 1 1 51 51 ASN N N 15 120.053 0.5 . 1 . . . A 481 ASN N . 17478 1 175 . 1 1 51 51 ASN ND2 N 15 112.244 0.5 . 1 . . . A 481 ASN ND2 . 17478 1 176 . 1 1 52 52 LEU H H 1 8.722 0.05 . 1 . . . A 482 LEU H . 17478 1 177 . 1 1 52 52 LEU C C 13 178.500 0.2 . 1 . . . A 482 LEU C . 17478 1 178 . 1 1 52 52 LEU N N 15 120.910 0.5 . 1 . . . A 482 LEU N . 17478 1 179 . 1 1 53 53 LEU H H 1 7.953 0.05 . 1 . . . A 483 LEU H . 17478 1 180 . 1 1 53 53 LEU C C 13 180.373 0.2 . 1 . . . A 483 LEU C . 17478 1 181 . 1 1 53 53 LEU N N 15 121.640 0.5 . 1 . . . A 483 LEU N . 17478 1 182 . 1 1 54 54 LYS H H 1 8.255 0.05 . 1 . . . A 484 LYS H . 17478 1 183 . 1 1 54 54 LYS C C 13 177.485 0.2 . 1 . . . A 484 LYS C . 17478 1 184 . 1 1 54 54 LYS N N 15 122.031 0.5 . 1 . . . A 484 LYS N . 17478 1 185 . 1 1 55 55 ALA H H 1 7.417 0.05 . 1 . . . A 485 ALA H . 17478 1 186 . 1 1 55 55 ALA C C 13 176.377 0.2 . 1 . . . A 485 ALA C . 17478 1 187 . 1 1 55 55 ALA N N 15 117.126 0.5 . 1 . . . A 485 ALA N . 17478 1 188 . 1 1 56 56 ASN H H 1 8.271 0.05 . 1 . . . A 486 ASN H . 17478 1 189 . 1 1 56 56 ASN HD21 H 1 6.820 0.05 . 2 . . . A 486 ASN HD21 . 17478 1 190 . 1 1 56 56 ASN HD22 H 1 7.558 0.05 . 2 . . . A 486 ASN HD22 . 17478 1 191 . 1 1 56 56 ASN C C 13 174.676 0.2 . 1 . . . A 486 ASN C . 17478 1 192 . 1 1 56 56 ASN CG C 13 178.280 0.2 . 1 . . . A 486 ASN CG . 17478 1 193 . 1 1 56 56 ASN N N 15 113.327 0.5 . 1 . . . A 486 ASN N . 17478 1 194 . 1 1 56 56 ASN ND2 N 15 112.789 0.5 . 1 . . . A 486 ASN ND2 . 17478 1 195 . 1 1 57 57 VAL H H 1 8.179 0.05 . 1 . . . A 487 VAL H . 17478 1 196 . 1 1 57 57 VAL C C 13 176.471 0.2 . 1 . . . A 487 VAL C . 17478 1 197 . 1 1 57 57 VAL N N 15 117.273 0.5 . 1 . . . A 487 VAL N . 17478 1 198 . 1 1 58 58 ILE H H 1 6.932 0.05 . 1 . . . A 488 ILE H . 17478 1 199 . 1 1 58 58 ILE C C 13 174.021 0.2 . 1 . . . A 488 ILE C . 17478 1 200 . 1 1 58 58 ILE N N 15 107.890 0.5 . 1 . . . A 488 ILE N . 17478 1 201 . 1 1 59 59 ASN H H 1 8.998 0.05 . 1 . . . A 489 ASN H . 17478 1 202 . 1 1 59 59 ASN HD21 H 1 6.880 0.05 . 2 . . . A 489 ASN HD21 . 17478 1 203 . 1 1 59 59 ASN HD22 H 1 7.304 0.05 . 2 . . . A 489 ASN HD22 . 17478 1 204 . 1 1 59 59 ASN C C 13 176.190 0.2 . 1 . . . A 489 ASN C . 17478 1 205 . 1 1 59 59 ASN CG C 13 175.637 0.2 . 1 . . . A 489 ASN CG . 17478 1 206 . 1 1 59 59 ASN N N 15 118.097 0.5 . 1 . . . A 489 ASN N . 17478 1 207 . 1 1 59 59 ASN ND2 N 15 110.836 0.5 . 1 . . . A 489 ASN ND2 . 17478 1 208 . 1 1 60 60 LYS H H 1 8.397 0.05 . 1 . . . A 490 LYS H . 17478 1 209 . 1 1 60 60 LYS C C 13 177.485 0.2 . 1 . . . A 490 LYS C . 17478 1 210 . 1 1 60 60 LYS N N 15 118.534 0.5 . 1 . . . A 490 LYS N . 17478 1 211 . 1 1 61 61 GLN H H 1 8.012 0.05 . 1 . . . A 491 GLN H . 17478 1 212 . 1 1 61 61 GLN HE21 H 1 6.857 0.05 . 2 . . . A 491 GLN HE21 . 17478 1 213 . 1 1 61 61 GLN HE22 H 1 7.482 0.05 . 2 . . . A 491 GLN HE22 . 17478 1 214 . 1 1 61 61 GLN C C 13 178.765 0.2 . 1 . . . A 491 GLN C . 17478 1 215 . 1 1 61 61 GLN CD C 13 180.725 0.2 . 1 . . . A 491 GLN CD . 17478 1 216 . 1 1 61 61 GLN N N 15 119.434 0.5 . 1 . . . A 491 GLN N . 17478 1 217 . 1 1 61 61 GLN NE2 N 15 111.873 0.5 . 1 . . . A 491 GLN NE2 . 17478 1 218 . 1 1 62 62 GLU H H 1 8.571 0.05 . 1 . . . A 492 GLU H . 17478 1 219 . 1 1 62 62 GLU C C 13 179.015 0.2 . 1 . . . A 492 GLU C . 17478 1 220 . 1 1 62 62 GLU N N 15 119.560 0.5 . 1 . . . A 492 GLU N . 17478 1 221 . 1 1 63 63 HIS H H 1 8.450 0.05 . 1 . . . A 493 HIS H . 17478 1 222 . 1 1 63 63 HIS C C 13 175.925 0.2 . 1 . . . A 493 HIS C . 17478 1 223 . 1 1 63 63 HIS N N 15 116.704 0.5 . 1 . . . A 493 HIS N . 17478 1 224 . 1 1 64 64 ASP H H 1 8.807 0.05 . 1 . . . A 494 ASP H . 17478 1 225 . 1 1 64 64 ASP C C 13 178.188 0.2 . 1 . . . A 494 ASP C . 17478 1 226 . 1 1 64 64 ASP CG C 13 179.776 0.2 . 1 . . . A 494 ASP CG . 17478 1 227 . 1 1 64 64 ASP N N 15 119.547 0.5 . 1 . . . A 494 ASP N . 17478 1 228 . 1 1 65 65 ILE H H 1 8.190 0.05 . 1 . . . A 495 ILE H . 17478 1 229 . 1 1 65 65 ILE C C 13 178.594 0.2 . 1 . . . A 495 ILE C . 17478 1 230 . 1 1 65 65 ILE N N 15 120.414 0.5 . 1 . . . A 495 ILE N . 17478 1 231 . 1 1 66 66 ILE H H 1 7.227 0.05 . 1 . . . A 496 ILE H . 17478 1 232 . 1 1 66 66 ILE C C 13 177.517 0.2 . 1 . . . A 496 ILE C . 17478 1 233 . 1 1 66 66 ILE N N 15 118.857 0.5 . 1 . . . A 496 ILE N . 17478 1 234 . 1 1 67 67 LYS H H 1 8.001 0.05 . 1 . . . A 497 LYS H . 17478 1 235 . 1 1 67 67 LYS C C 13 177.126 0.2 . 1 . . . A 497 LYS C . 17478 1 236 . 1 1 67 67 LYS N N 15 118.111 0.5 . 1 . . . A 497 LYS N . 17478 1 237 . 1 1 68 68 GLN H H 1 7.727 0.05 . 1 . . . A 498 GLN H . 17478 1 238 . 1 1 68 68 GLN HE21 H 1 6.788 0.05 . 2 . . . A 498 GLN HE21 . 17478 1 239 . 1 1 68 68 GLN HE22 H 1 7.370 0.05 . 2 . . . A 498 GLN HE22 . 17478 1 240 . 1 1 68 68 GLN C C 13 177.345 0.2 . 1 . . . A 498 GLN C . 17478 1 241 . 1 1 68 68 GLN CD C 13 180.691 0.2 . 1 . . . A 498 GLN CD . 17478 1 242 . 1 1 68 68 GLN N N 15 113.468 0.5 . 1 . . . A 498 GLN N . 17478 1 243 . 1 1 68 68 GLN NE2 N 15 110.731 0.5 . 1 . . . A 498 GLN NE2 . 17478 1 244 . 1 1 69 69 LYS H H 1 7.399 0.05 . 1 . . . A 499 LYS H . 17478 1 245 . 1 1 69 69 LYS C C 13 178.063 0.2 . 1 . . . A 499 LYS C . 17478 1 246 . 1 1 69 69 LYS N N 15 119.209 0.5 . 1 . . . A 499 LYS N . 17478 1 247 . 1 1 70 70 THR H H 1 8.087 0.05 . 1 . . . A 500 THR H . 17478 1 248 . 1 1 70 70 THR C C 13 174.770 0.2 . 1 . . . A 500 THR C . 17478 1 249 . 1 1 70 70 THR N N 15 110.395 0.5 . 1 . . . A 500 THR N . 17478 1 250 . 1 1 71 71 GLN H H 1 7.610 0.05 . 1 . . . A 501 GLN H . 17478 1 251 . 1 1 71 71 GLN HE21 H 1 6.860 0.05 . 2 . . . A 501 GLN HE21 . 17478 1 252 . 1 1 71 71 GLN HE22 H 1 7.543 0.05 . 2 . . . A 501 GLN HE22 . 17478 1 253 . 1 1 71 71 GLN C C 13 176.643 0.2 . 1 . . . A 501 GLN C . 17478 1 254 . 1 1 71 71 GLN CD C 13 180.038 0.2 . 1 . . . A 501 GLN CD . 17478 1 255 . 1 1 71 71 GLN N N 15 119.195 0.5 . 1 . . . A 501 GLN N . 17478 1 256 . 1 1 71 71 GLN NE2 N 15 111.741 0.5 . 1 . . . A 501 GLN NE2 . 17478 1 257 . 1 1 72 72 ILE H H 1 9.226 0.05 . 1 . . . A 502 ILE H . 17478 1 258 . 1 1 72 72 ILE C C 13 175.051 0.2 . 1 . . . A 502 ILE C . 17478 1 259 . 1 1 72 72 ILE N N 15 127.298 0.5 . 1 . . . A 502 ILE N . 17478 1 260 . 1 1 73 73 PRO C C 13 179.337 0.2 . 1 . . . A 503 PRO C . 17478 1 261 . 1 1 73 73 PRO N N 15 134.716 0.5 . 1 . . . A 503 PRO N . 17478 1 262 . 1 1 74 74 LEU H H 1 6.743 0.05 . 1 . . . A 504 LEU H . 17478 1 263 . 1 1 74 74 LEU C C 13 179.749 0.2 . 1 . . . A 504 LEU C . 17478 1 264 . 1 1 74 74 LEU N N 15 114.664 0.5 . 1 . . . A 504 LEU N . 17478 1 265 . 1 1 75 75 GLN H H 1 8.074 0.05 . 1 . . . A 505 GLN H . 17478 1 266 . 1 1 75 75 GLN HE21 H 1 6.198 0.05 . 2 . . . A 505 GLN HE21 . 17478 1 267 . 1 1 75 75 GLN HE22 H 1 7.167 0.05 . 2 . . . A 505 GLN HE22 . 17478 1 268 . 1 1 75 75 GLN C C 13 178.281 0.2 . 1 . . . A 505 GLN C . 17478 1 269 . 1 1 75 75 GLN CD C 13 178.216 0.2 . 1 . . . A 505 GLN CD . 17478 1 270 . 1 1 75 75 GLN N N 15 120.614 0.5 . 1 . . . A 505 GLN N . 17478 1 271 . 1 1 75 75 GLN NE2 N 15 107.932 0.5 . 1 . . . A 505 GLN NE2 . 17478 1 272 . 1 1 76 76 ALA H H 1 9.063 0.05 . 1 . . . A 506 ALA H . 17478 1 273 . 1 1 76 76 ALA C C 13 178.937 0.2 . 1 . . . A 506 ALA C . 17478 1 274 . 1 1 76 76 ALA N N 15 120.011 0.5 . 1 . . . A 506 ALA N . 17478 1 275 . 1 1 77 77 ARG H H 1 7.870 0.05 . 1 . . . A 507 ARG H . 17478 1 276 . 1 1 77 77 ARG HE H 1 7.132 0.05 . 1 . . . A 507 ARG HE . 17478 1 277 . 1 1 77 77 ARG C C 13 177.236 0.2 . 1 . . . A 507 ARG C . 17478 1 278 . 1 1 77 77 ARG N N 15 117.647 0.5 . 1 . . . A 507 ARG N . 17478 1 279 . 1 1 77 77 ARG NE N 15 114.931 0.5 . 1 . . . A 507 ARG NE . 17478 1 280 . 1 1 78 78 GLU H H 1 7.633 0.05 . 1 . . . A 508 GLU H . 17478 1 281 . 1 1 78 78 GLU C C 13 180.092 0.2 . 1 . . . A 508 GLU C . 17478 1 282 . 1 1 78 78 GLU N N 15 117.126 0.5 . 1 . . . A 508 GLU N . 17478 1 283 . 1 1 79 79 LEU H H 1 8.728 0.05 . 1 . . . A 509 LEU H . 17478 1 284 . 1 1 79 79 LEU C C 13 177.688 0.2 . 1 . . . A 509 LEU C . 17478 1 285 . 1 1 79 79 LEU N N 15 121.909 0.5 . 1 . . . A 509 LEU N . 17478 1 286 . 1 1 80 80 ILE H H 1 8.575 0.05 . 1 . . . A 510 ILE H . 17478 1 287 . 1 1 80 80 ILE C C 13 177.189 0.2 . 1 . . . A 510 ILE C . 17478 1 288 . 1 1 80 80 ILE N N 15 119.663 0.5 . 1 . . . A 510 ILE N . 17478 1 289 . 1 1 81 81 ASP H H 1 8.497 0.05 . 1 . . . A 511 ASP H . 17478 1 290 . 1 1 81 81 ASP C C 13 179.390 0.2 . 1 . . . A 511 ASP C . 17478 1 291 . 1 1 81 81 ASP CG C 13 179.142 0.2 . 1 . . . A 511 ASP CG . 17478 1 292 . 1 1 81 81 ASP N N 15 119.505 0.5 . 1 . . . A 511 ASP N . 17478 1 293 . 1 1 82 82 THR H H 1 7.897 0.05 . 1 . . . A 512 THR H . 17478 1 294 . 1 1 82 82 THR C C 13 175.751 0.2 . 1 . . . A 512 THR C . 17478 1 295 . 1 1 82 82 THR N N 15 117.464 0.5 . 1 . . . A 512 THR N . 17478 1 296 . 1 1 83 83 ILE H H 1 8.275 0.05 . 1 . . . A 513 ILE H . 17478 1 297 . 1 1 83 83 ILE C C 13 176.580 0.2 . 1 . . . A 513 ILE C . 17478 1 298 . 1 1 83 83 ILE N N 15 122.796 0.5 . 1 . . . A 513 ILE N . 17478 1 299 . 1 1 84 84 LEU H H 1 7.994 0.05 . 1 . . . A 514 LEU H . 17478 1 300 . 1 1 84 84 LEU C C 13 179.202 0.2 . 1 . . . A 514 LEU C . 17478 1 301 . 1 1 84 84 LEU N N 15 115.410 0.5 . 1 . . . A 514 LEU N . 17478 1 302 . 1 1 85 85 VAL H H 1 7.500 0.05 . 1 . . . A 515 VAL H . 17478 1 303 . 1 1 85 85 VAL C C 13 178.125 0.2 . 1 . . . A 515 VAL C . 17478 1 304 . 1 1 85 85 VAL N N 15 116.761 0.5 . 1 . . . A 515 VAL N . 17478 1 305 . 1 1 86 86 LYS H H 1 8.193 0.05 . 1 . . . A 516 LYS H . 17478 1 306 . 1 1 86 86 LYS C C 13 179.452 0.2 . 1 . . . A 516 LYS C . 17478 1 307 . 1 1 86 86 LYS N N 15 119.589 0.5 . 1 . . . A 516 LYS N . 17478 1 308 . 1 1 87 87 GLY H H 1 8.369 0.05 . 1 . . . A 517 GLY H . 17478 1 309 . 1 1 87 87 GLY C C 13 174.879 0.2 . 1 . . . A 517 GLY C . 17478 1 310 . 1 1 87 87 GLY N N 15 106.525 0.5 . 1 . . . A 517 GLY N . 17478 1 311 . 1 1 88 88 ASN H H 1 9.076 0.05 . 1 . . . A 518 ASN H . 17478 1 312 . 1 1 88 88 ASN HD21 H 1 7.132 0.05 . 2 . . . A 518 ASN HD21 . 17478 1 313 . 1 1 88 88 ASN HD22 H 1 7.655 0.05 . 2 . . . A 518 ASN HD22 . 17478 1 314 . 1 1 88 88 ASN C C 13 177.673 0.2 . 1 . . . A 518 ASN C . 17478 1 315 . 1 1 88 88 ASN CG C 13 175.418 0.2 . 1 . . . A 518 ASN CG . 17478 1 316 . 1 1 88 88 ASN N N 15 120.914 0.5 . 1 . . . A 518 ASN N . 17478 1 317 . 1 1 88 88 ASN ND2 N 15 111.540 0.5 . 1 . . . A 518 ASN ND2 . 17478 1 318 . 1 1 89 89 ALA H H 1 9.115 0.05 . 1 . . . A 519 ALA H . 17478 1 319 . 1 1 89 89 ALA C C 13 180.825 0.2 . 1 . . . A 519 ALA C . 17478 1 320 . 1 1 89 89 ALA N N 15 122.993 0.5 . 1 . . . A 519 ALA N . 17478 1 321 . 1 1 90 90 ALA H H 1 7.525 0.05 . 1 . . . A 520 ALA H . 17478 1 322 . 1 1 90 90 ALA C C 13 178.812 0.2 . 1 . . . A 520 ALA C . 17478 1 323 . 1 1 90 90 ALA N N 15 118.942 0.5 . 1 . . . A 520 ALA N . 17478 1 324 . 1 1 91 91 ALA H H 1 8.182 0.05 . 1 . . . A 521 ALA H . 17478 1 325 . 1 1 91 91 ALA C C 13 178.391 0.2 . 1 . . . A 521 ALA C . 17478 1 326 . 1 1 91 91 ALA N N 15 120.417 0.5 . 1 . . . A 521 ALA N . 17478 1 327 . 1 1 92 92 ASN H H 1 8.179 0.05 . 1 . . . A 522 ASN H . 17478 1 328 . 1 1 92 92 ASN HD21 H 1 6.995 0.05 . 2 . . . A 522 ASN HD21 . 17478 1 329 . 1 1 92 92 ASN HD22 H 1 7.776 0.05 . 2 . . . A 522 ASN HD22 . 17478 1 330 . 1 1 92 92 ASN C C 13 177.189 0.2 . 1 . . . A 522 ASN C . 17478 1 331 . 1 1 92 92 ASN CG C 13 175.846 0.2 . 1 . . . A 522 ASN CG . 17478 1 332 . 1 1 92 92 ASN N N 15 116.367 0.5 . 1 . . . A 522 ASN N . 17478 1 333 . 1 1 92 92 ASN ND2 N 15 113.017 0.5 . 1 . . . A 522 ASN ND2 . 17478 1 334 . 1 1 93 93 ILE H H 1 7.498 0.05 . 1 . . . A 523 ILE H . 17478 1 335 . 1 1 93 93 ILE C C 13 178.313 0.2 . 1 . . . A 523 ILE C . 17478 1 336 . 1 1 93 93 ILE N N 15 119.547 0.5 . 1 . . . A 523 ILE N . 17478 1 337 . 1 1 94 94 PHE H H 1 8.438 0.05 . 1 . . . A 524 PHE H . 17478 1 338 . 1 1 94 94 PHE C C 13 175.098 0.2 . 1 . . . A 524 PHE C . 17478 1 339 . 1 1 94 94 PHE N N 15 120.103 0.5 . 1 . . . A 524 PHE N . 17478 1 340 . 1 1 95 95 LYS H H 1 8.528 0.05 . 1 . . . A 525 LYS H . 17478 1 341 . 1 1 95 95 LYS C C 13 176.986 0.2 . 1 . . . A 525 LYS C . 17478 1 342 . 1 1 95 95 LYS N N 15 119.483 0.5 . 1 . . . A 525 LYS N . 17478 1 343 . 1 1 96 96 ASN H H 1 7.808 0.05 . 1 . . . A 526 ASN H . 17478 1 344 . 1 1 96 96 ASN HD21 H 1 6.753 0.05 . 2 . . . A 526 ASN HD21 . 17478 1 345 . 1 1 96 96 ASN HD22 H 1 7.366 0.05 . 2 . . . A 526 ASN HD22 . 17478 1 346 . 1 1 96 96 ASN C C 13 178.094 0.2 . 1 . . . A 526 ASN C . 17478 1 347 . 1 1 96 96 ASN CG C 13 176.186 0.2 . 1 . . . A 526 ASN CG . 17478 1 348 . 1 1 96 96 ASN N N 15 114.959 0.5 . 1 . . . A 526 ASN N . 17478 1 349 . 1 1 96 96 ASN ND2 N 15 112.528 0.5 . 1 . . . A 526 ASN ND2 . 17478 1 350 . 1 1 97 97 CYS H H 1 8.363 0.05 . 1 . . . A 527 CYS H . 17478 1 351 . 1 1 97 97 CYS C C 13 177.064 0.2 . 1 . . . A 527 CYS C . 17478 1 352 . 1 1 97 97 CYS N N 15 117.985 0.5 . 1 . . . A 527 CYS N . 17478 1 353 . 1 1 98 98 LEU H H 1 8.432 0.05 . 1 . . . A 528 LEU H . 17478 1 354 . 1 1 98 98 LEU C C 13 177.158 0.2 . 1 . . . A 528 LEU C . 17478 1 355 . 1 1 98 98 LEU N N 15 121.177 0.5 . 1 . . . A 528 LEU N . 17478 1 356 . 1 1 99 99 LYS H H 1 7.383 0.05 . 1 . . . A 529 LYS H . 17478 1 357 . 1 1 99 99 LYS C C 13 176.705 0.2 . 1 . . . A 529 LYS C . 17478 1 358 . 1 1 99 99 LYS N N 15 115.353 0.5 . 1 . . . A 529 LYS N . 17478 1 359 . 1 1 100 100 GLU H H 1 6.770 0.05 . 1 . . . A 530 GLU H . 17478 1 360 . 1 1 100 100 GLU C C 13 178.063 0.2 . 1 . . . A 530 GLU C . 17478 1 361 . 1 1 100 100 GLU N N 15 112.509 0.5 . 1 . . . A 530 GLU N . 17478 1 362 . 1 1 101 101 ILE H H 1 7.881 0.05 . 1 . . . A 531 ILE H . 17478 1 363 . 1 1 101 101 ILE C C 13 176.206 0.2 . 1 . . . A 531 ILE C . 17478 1 364 . 1 1 101 101 ILE N N 15 116.381 0.5 . 1 . . . A 531 ILE N . 17478 1 365 . 1 1 102 102 ASP H H 1 8.811 0.05 . 1 . . . A 532 ASP H . 17478 1 366 . 1 1 102 102 ASP C C 13 174.192 0.2 . 1 . . . A 532 ASP C . 17478 1 367 . 1 1 102 102 ASP CG C 13 180.317 0.2 . 1 . . . A 532 ASP CG . 17478 1 368 . 1 1 102 102 ASP N N 15 121.613 0.5 . 1 . . . A 532 ASP N . 17478 1 369 . 1 1 103 103 SER H H 1 8.792 0.05 . 1 . . . A 533 SER H . 17478 1 370 . 1 1 103 103 SER C C 13 177.366 0.2 . 1 . . . A 533 SER C . 17478 1 371 . 1 1 103 103 SER N N 15 119.800 0.5 . 1 . . . A 533 SER N . 17478 1 372 . 1 1 104 104 THR H H 1 8.328 0.05 . 1 . . . A 534 THR H . 17478 1 373 . 1 1 104 104 THR C C 13 175.238 0.2 . 1 . . . A 534 THR C . 17478 1 374 . 1 1 104 104 THR N N 15 120.341 0.5 . 1 . . . A 534 THR N . 17478 1 375 . 1 1 105 105 LEU H H 1 7.759 0.05 . 1 . . . A 535 LEU H . 17478 1 376 . 1 1 105 105 LEU C C 13 178.531 0.2 . 1 . . . A 535 LEU C . 17478 1 377 . 1 1 105 105 LEU N N 15 124.751 0.5 . 1 . . . A 535 LEU N . 17478 1 378 . 1 1 106 106 TYR H H 1 8.499 0.05 . 1 . . . A 536 TYR H . 17478 1 379 . 1 1 106 106 TYR C C 13 176.611 0.2 . 1 . . . A 536 TYR C . 17478 1 380 . 1 1 106 106 TYR N N 15 116.831 0.5 . 1 . . . A 536 TYR N . 17478 1 381 . 1 1 107 107 LYS H H 1 8.252 0.05 . 1 . . . A 537 LYS H . 17478 1 382 . 1 1 107 107 LYS C C 13 179.233 0.2 . 1 . . . A 537 LYS C . 17478 1 383 . 1 1 107 107 LYS N N 15 119.927 0.5 . 1 . . . A 537 LYS N . 17478 1 384 . 1 1 108 108 ASN H H 1 8.437 0.05 . 1 . . . A 538 ASN H . 17478 1 385 . 1 1 108 108 ASN HD21 H 1 6.780 0.05 . 2 . . . A 538 ASN HD21 . 17478 1 386 . 1 1 108 108 ASN HD22 H 1 7.490 0.05 . 2 . . . A 538 ASN HD22 . 17478 1 387 . 1 1 108 108 ASN C C 13 175.394 0.2 . 1 . . . A 538 ASN C . 17478 1 388 . 1 1 108 108 ASN CG C 13 175.580 0.2 . 1 . . . A 538 ASN CG . 17478 1 389 . 1 1 108 108 ASN N N 15 119.350 0.5 . 1 . . . A 538 ASN N . 17478 1 390 . 1 1 108 108 ASN ND2 N 15 110.059 0.5 . 1 . . . A 538 ASN ND2 . 17478 1 391 . 1 1 109 109 LEU H H 1 8.130 0.05 . 1 . . . A 539 LEU H . 17478 1 392 . 1 1 109 109 LEU C C 13 175.987 0.2 . 1 . . . A 539 LEU C . 17478 1 393 . 1 1 109 109 LEU N N 15 117.098 0.5 . 1 . . . A 539 LEU N . 17478 1 394 . 1 1 110 110 PHE H H 1 8.044 0.05 . 1 . . . A 540 PHE H . 17478 1 395 . 1 1 110 110 PHE C C 13 176.596 0.2 . 1 . . . A 540 PHE C . 17478 1 396 . 1 1 110 110 PHE N N 15 109.156 0.5 . 1 . . . A 540 PHE N . 17478 1 397 . 1 1 111 111 VAL H H 1 7.403 0.05 . 1 . . . A 541 VAL H . 17478 1 398 . 1 1 111 111 VAL C C 13 176.611 0.2 . 1 . . . A 541 VAL C . 17478 1 399 . 1 1 111 111 VAL N N 15 119.325 0.5 . 1 . . . A 541 VAL N . 17478 1 400 . 1 1 112 112 ASP H H 1 8.802 0.05 . 1 . . . A 542 ASP H . 17478 1 401 . 1 1 112 112 ASP C C 13 176.471 0.2 . 1 . . . A 542 ASP C . 17478 1 402 . 1 1 112 112 ASP CG C 13 178.644 0.2 . 1 . . . A 542 ASP CG . 17478 1 403 . 1 1 112 112 ASP N N 15 120.096 0.5 . 1 . . . A 542 ASP N . 17478 1 404 . 1 1 113 113 LYS H H 1 6.802 0.05 . 1 . . . A 543 LYS H . 17478 1 405 . 1 1 113 113 LYS C C 13 176.143 0.2 . 1 . . . A 543 LYS C . 17478 1 406 . 1 1 113 113 LYS N N 15 114.200 0.5 . 1 . . . A 543 LYS N . 17478 1 407 . 1 1 114 114 ASN H H 1 8.322 0.05 . 1 . . . A 544 ASN H . 17478 1 408 . 1 1 114 114 ASN HD21 H 1 6.732 0.05 . 2 . . . A 544 ASN HD21 . 17478 1 409 . 1 1 114 114 ASN HD22 H 1 7.449 0.05 . 2 . . . A 544 ASN HD22 . 17478 1 410 . 1 1 114 114 ASN C C 13 174.739 0.2 . 1 . . . A 544 ASN C . 17478 1 411 . 1 1 114 114 ASN CG C 13 177.183 0.2 . 1 . . . A 544 ASN CG . 17478 1 412 . 1 1 114 114 ASN N N 15 117.295 0.5 . 1 . . . A 544 ASN N . 17478 1 413 . 1 1 114 114 ASN ND2 N 15 110.787 0.5 . 1 . . . A 544 ASN ND2 . 17478 1 414 . 1 1 115 115 MET H H 1 8.097 0.05 . 1 . . . A 545 MET H . 17478 1 415 . 1 1 115 115 MET C C 13 175.722 0.2 . 1 . . . A 545 MET C . 17478 1 416 . 1 1 115 115 MET N N 15 120.719 0.5 . 1 . . . A 545 MET N . 17478 1 417 . 1 1 116 116 LYS H H 1 8.461 0.05 . 1 . . . A 546 LYS H . 17478 1 418 . 1 1 116 116 LYS C C 13 175.300 0.2 . 1 . . . A 546 LYS C . 17478 1 419 . 1 1 116 116 LYS N N 15 122.711 0.5 . 1 . . . A 546 LYS N . 17478 1 420 . 1 1 117 117 TYR H H 1 8.350 0.05 . 1 . . . A 547 TYR H . 17478 1 421 . 1 1 117 117 TYR C C 13 174.302 0.2 . 1 . . . A 547 TYR C . 17478 1 422 . 1 1 117 117 TYR N N 15 123.572 0.5 . 1 . . . A 547 TYR N . 17478 1 423 . 1 1 118 118 ILE H H 1 8.184 0.05 . 1 . . . A 548 ILE H . 17478 1 424 . 1 1 118 118 ILE C C 13 173.693 0.2 . 1 . . . A 548 ILE C . 17478 1 425 . 1 1 118 118 ILE N N 15 128.889 0.5 . 1 . . . A 548 ILE N . 17478 1 426 . 1 1 119 119 PRO C C 13 176.887 0.2 . 1 . . . A 549 PRO C . 17478 1 427 . 1 1 120 120 THR H H 1 7.981 0.05 . 1 . . . A 550 THR H . 17478 1 428 . 1 1 120 120 THR C C 13 174.629 0.2 . 1 . . . A 550 THR C . 17478 1 429 . 1 1 120 120 THR N N 15 113.834 0.5 . 1 . . . A 550 THR N . 17478 1 430 . 1 1 121 121 GLU H H 1 8.381 0.05 . 1 . . . A 551 GLU H . 17478 1 431 . 1 1 121 121 GLU C C 13 175.987 0.2 . 1 . . . A 551 GLU C . 17478 1 432 . 1 1 121 121 GLU N N 15 122.331 0.5 . 1 . . . A 551 GLU N . 17478 1 433 . 1 1 122 122 ASP H H 1 8.367 0.05 . 1 . . . A 552 ASP H . 17478 1 434 . 1 1 122 122 ASP C C 13 176.611 0.2 . 1 . . . A 552 ASP C . 17478 1 435 . 1 1 122 122 ASP CG C 13 180.107 0.2 . 1 . . . A 552 ASP CG . 17478 1 436 . 1 1 122 122 ASP N N 15 121.402 0.5 . 1 . . . A 552 ASP N . 17478 1 437 . 1 1 123 123 VAL H H 1 8.131 0.05 . 1 . . . A 553 VAL H . 17478 1 438 . 1 1 123 123 VAL C C 13 176.611 0.2 . 1 . . . A 553 VAL C . 17478 1 439 . 1 1 123 123 VAL N N 15 119.990 0.5 . 1 . . . A 553 VAL N . 17478 1 440 . 1 1 124 124 SER H H 1 8.442 0.05 . 1 . . . A 554 SER H . 17478 1 441 . 1 1 124 124 SER C C 13 175.363 0.2 . 1 . . . A 554 SER C . 17478 1 442 . 1 1 124 124 SER N N 15 118.963 0.5 . 1 . . . A 554 SER N . 17478 1 443 . 1 1 125 125 GLY H H 1 8.377 0.05 . 1 . . . A 555 GLY H . 17478 1 444 . 1 1 125 125 GLY C C 13 174.270 0.2 . 1 . . . A 555 GLY C . 17478 1 445 . 1 1 125 125 GLY N N 15 110.639 0.5 . 1 . . . A 555 GLY N . 17478 1 446 . 1 1 126 126 LEU H H 1 7.947 0.05 . 1 . . . A 556 LEU H . 17478 1 447 . 1 1 126 126 LEU C C 13 177.407 0.2 . 1 . . . A 556 LEU C . 17478 1 448 . 1 1 126 126 LEU N N 15 121.294 0.5 . 1 . . . A 556 LEU N . 17478 1 449 . 1 1 127 127 SER H H 1 8.352 0.05 . 1 . . . A 557 SER H . 17478 1 450 . 1 1 127 127 SER C C 13 174.754 0.2 . 1 . . . A 557 SER C . 17478 1 451 . 1 1 127 127 SER N N 15 116.704 0.5 . 1 . . . A 557 SER N . 17478 1 452 . 1 1 128 128 LEU H H 1 8.295 0.05 . 1 . . . A 558 LEU H . 17478 1 453 . 1 1 128 128 LEU C C 13 177.673 0.2 . 1 . . . A 558 LEU C . 17478 1 454 . 1 1 128 128 LEU N N 15 124.118 0.5 . 1 . . . A 558 LEU N . 17478 1 455 . 1 1 129 129 GLU H H 1 8.338 0.05 . 1 . . . A 559 GLU H . 17478 1 456 . 1 1 129 129 GLU C C 13 176.549 0.2 . 1 . . . A 559 GLU C . 17478 1 457 . 1 1 129 129 GLU N N 15 120.321 0.5 . 1 . . . A 559 GLU N . 17478 1 458 . 1 1 130 130 GLU H H 1 8.202 0.05 . 1 . . . A 560 GLU H . 17478 1 459 . 1 1 130 130 GLU C C 13 176.018 0.2 . 1 . . . A 560 GLU C . 17478 1 460 . 1 1 130 130 GLU N N 15 121.013 0.5 . 1 . . . A 560 GLU N . 17478 1 461 . 1 1 131 131 GLN H H 1 8.250 0.05 . 1 . . . A 561 GLN H . 17478 1 462 . 1 1 131 131 GLN HE21 H 1 6.814 0.05 . 2 . . . A 561 GLN HE21 . 17478 1 463 . 1 1 131 131 GLN HE22 H 1 7.518 0.05 . 2 . . . A 561 GLN HE22 . 17478 1 464 . 1 1 131 131 GLN C C 13 174.817 0.2 . 1 . . . A 561 GLN C . 17478 1 465 . 1 1 131 131 GLN CD C 13 180.775 0.2 . 1 . . . A 561 GLN CD . 17478 1 466 . 1 1 131 131 GLN N N 15 121.754 0.5 . 1 . . . A 561 GLN N . 17478 1 467 . 1 1 131 131 GLN NE2 N 15 112.713 0.5 . 1 . . . A 561 GLN NE2 . 17478 1 468 . 1 1 132 132 LEU H H 1 7.867 0.05 . 1 . . . A 562 LEU H . 17478 1 469 . 1 1 132 132 LEU C C 13 182.371 0.2 . 1 . . . A 562 LEU C . 17478 1 470 . 1 1 132 132 LEU N N 15 129.691 0.5 . 1 . . . A 562 LEU N . 17478 1 stop_ save_