data_16471 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16471 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for IQGAP1 (401-533) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-27 _Entry.Accession_date 2009-08-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'IQGAP1 residues 401-533' _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 Matthew Smith . J. . 16471 2 Mitsu Ikura . . . 16471 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16471 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 16471 '15N chemical shifts' 115 16471 '1H chemical shifts' 115 16471 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 . . 2010-03-05 2009-08-27 update BMRB 'completed entry citation' 16471 1 . . 2010-01-28 2009-08-27 original BMRB 'original release' 16471 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16471 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20075861 _Citation.Full_citation . _Citation.Title 'The PTB domain of ShcA couples receptor activation to the cytoskeletal regulator IQGAP1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 29 _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 884 _Citation.Page_last 896 _Citation.Year 2010 _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 Matthew Smith . J. . 16471 1 2 'W. Rod' Hardy . . . 16471 1 3 Guang-Yao Li . . . 16471 1 4 Marilyn Goudreault . . . 16471 1 5 Steven Hersch . . . 16471 1 6 Pavel Metalnikov . . . 16471 1 7 Andrei Starostine . . . 16471 1 8 Tony Pawson . . . 16471 1 9 Mitsuhiko Ikura . . . 16471 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ErbB2 16471 1 IQGAP1 16471 1 'PTB Domain' 16471 1 PTP-PEST 16471 1 ShcA 16471 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16471 _Assembly.ID 1 _Assembly.Name 'IQGAP1 (401-533)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14888 _Assembly.Enzyme_commission_number . _Assembly.Details 'Isotopically labeled IQGAP1 (401-533)' _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 'ShcA PTB Domain Ligand' 1 $IQGAP1_(401-533) A . yes native no no . . . 16471 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1P5S . . X-ray . 'IQGAP CH domain' . 16471 1 yes PDB 1XOH . . 'solution NMR' . 'IQGAP RGC domain' . 16471 1 yes PDB 3FAY . . X-ray . 'IQGAP GAP domain' . 16471 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IQGAP1_(401-533) _Entity.Sf_category entity _Entity.Sf_framecode IQGAP1_(401-533) _Entity.Entry_ID 16471 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IQGAP1_(401-533) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KGIAEKTVLELMNPEAQLPQ VYPFAADLYQKELATLQQQS PEHSLTHPELTVAVEMLSSV ALINRALESGDMTTVWKQLS SSVTGLTNIEEENCQRYLDE LMKLKAQAHAENNAFITWND IQACVDHVNLVVH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal residues 401-533' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14888 _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 yes SWS Q9JKF1 . IQGAP1 . . . . . . . . . . . . . . 16471 1 2 no DBJ BAC97854 . "mKIAA0051 protein [Mus musculus]" . . . . . 100.00 1681 100.00 100.00 3.68e-83 . . . . 16471 1 3 no DBJ BAE37174 . "unnamed protein product [Mus musculus]" . . . . . 100.00 539 100.00 100.00 2.86e-87 . . . . 16471 1 4 no DBJ BAE37805 . "unnamed protein product [Mus musculus]" . . . . . 100.00 586 100.00 100.00 6.35e-87 . . . . 16471 1 5 no GB AAF60344 . "IQ motif containing GTPase activating protein 1 [Mus musculus]" . . . . . 100.00 1657 100.00 100.00 3.65e-83 . . . . 16471 1 6 no GB AAH22105 . "Iqgap1 protein, partial [Mus musculus]" . . . . . 100.00 943 100.00 100.00 2.61e-84 . . . . 16471 1 7 no GB AAH37685 . "Iqgap1 protein, partial [Mus musculus]" . . . . . 100.00 939 100.00 100.00 2.82e-84 . . . . 16471 1 8 no GB AAH46385 . "IQ motif containing GTPase activating protein 1 [Mus musculus]" . . . . . 100.00 1657 100.00 100.00 3.72e-83 . . . . 16471 1 9 no GB EDL06977 . "IQ motif containing GTPase activating protein 1, isoform CRA_c [Mus musculus]" . . . . . 100.00 1657 100.00 100.00 3.65e-83 . . . . 16471 1 10 no REF NP_001101959 . "ras GTPase-activating-like protein IQGAP1 [Rattus norvegicus]" . . . . . 100.00 1657 97.74 98.50 1.67e-81 . . . . 16471 1 11 no REF NP_057930 . "ras GTPase-activating-like protein IQGAP1 [Mus musculus]" . . . . . 100.00 1657 100.00 100.00 3.65e-83 . . . . 16471 1 12 no REF XP_003513458 . "PREDICTED: ras GTPase-activating-like protein IQGAP1 isoform X1 [Cricetulus griseus]" . . . . . 100.00 1657 97.74 98.50 2.08e-81 . . . . 16471 1 13 no REF XP_005077870 . "PREDICTED: ras GTPase-activating-like protein IQGAP1 [Mesocricetus auratus]" . . . . . 100.00 1657 96.99 98.50 4.24e-81 . . . . 16471 1 14 no REF XP_005357708 . "PREDICTED: ras GTPase-activating-like protein IQGAP1 [Microtus ochrogaster]" . . . . . 100.00 1659 96.99 98.50 5.23e-81 . . . . 16471 1 15 no SP Q9JKF1 . "RecName: Full=Ras GTPase-activating-like protein IQGAP1" . . . . . 100.00 1657 100.00 100.00 3.65e-83 . . . . 16471 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cytoskeletal regulator' 16471 1 'multidomain scaffold protein' 16471 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 1 401 LYS . 16471 1 2 402 GLY . 16471 1 3 403 ILE . 16471 1 4 404 ALA . 16471 1 5 405 GLU . 16471 1 6 406 LYS . 16471 1 7 407 THR . 16471 1 8 408 VAL . 16471 1 9 409 LEU . 16471 1 10 410 GLU . 16471 1 11 411 LEU . 16471 1 12 412 MET . 16471 1 13 413 ASN . 16471 1 14 414 PRO . 16471 1 15 415 GLU . 16471 1 16 416 ALA . 16471 1 17 417 GLN . 16471 1 18 418 LEU . 16471 1 19 419 PRO . 16471 1 20 420 GLN . 16471 1 21 421 VAL . 16471 1 22 422 TYR . 16471 1 23 423 PRO . 16471 1 24 424 PHE . 16471 1 25 425 ALA . 16471 1 26 426 ALA . 16471 1 27 427 ASP . 16471 1 28 428 LEU . 16471 1 29 429 TYR . 16471 1 30 430 GLN . 16471 1 31 431 LYS . 16471 1 32 432 GLU . 16471 1 33 433 LEU . 16471 1 34 434 ALA . 16471 1 35 435 THR . 16471 1 36 436 LEU . 16471 1 37 437 GLN . 16471 1 38 438 GLN . 16471 1 39 439 GLN . 16471 1 40 440 SER . 16471 1 41 441 PRO . 16471 1 42 442 GLU . 16471 1 43 443 HIS . 16471 1 44 444 SER . 16471 1 45 445 LEU . 16471 1 46 446 THR . 16471 1 47 447 HIS . 16471 1 48 448 PRO . 16471 1 49 449 GLU . 16471 1 50 450 LEU . 16471 1 51 451 THR . 16471 1 52 452 VAL . 16471 1 53 453 ALA . 16471 1 54 454 VAL . 16471 1 55 455 GLU . 16471 1 56 456 MET . 16471 1 57 457 LEU . 16471 1 58 458 SER . 16471 1 59 459 SER . 16471 1 60 460 VAL . 16471 1 61 461 ALA . 16471 1 62 462 LEU . 16471 1 63 463 ILE . 16471 1 64 464 ASN . 16471 1 65 465 ARG . 16471 1 66 466 ALA . 16471 1 67 467 LEU . 16471 1 68 468 GLU . 16471 1 69 469 SER . 16471 1 70 470 GLY . 16471 1 71 471 ASP . 16471 1 72 472 MET . 16471 1 73 473 THR . 16471 1 74 474 THR . 16471 1 75 475 VAL . 16471 1 76 476 TRP . 16471 1 77 477 LYS . 16471 1 78 478 GLN . 16471 1 79 479 LEU . 16471 1 80 480 SER . 16471 1 81 481 SER . 16471 1 82 482 SER . 16471 1 83 483 VAL . 16471 1 84 484 THR . 16471 1 85 485 GLY . 16471 1 86 486 LEU . 16471 1 87 487 THR . 16471 1 88 488 ASN . 16471 1 89 489 ILE . 16471 1 90 490 GLU . 16471 1 91 491 GLU . 16471 1 92 492 GLU . 16471 1 93 493 ASN . 16471 1 94 494 CYS . 16471 1 95 495 GLN . 16471 1 96 496 ARG . 16471 1 97 497 TYR . 16471 1 98 498 LEU . 16471 1 99 499 ASP . 16471 1 100 500 GLU . 16471 1 101 501 LEU . 16471 1 102 502 MET . 16471 1 103 503 LYS . 16471 1 104 504 LEU . 16471 1 105 505 LYS . 16471 1 106 506 ALA . 16471 1 107 507 GLN . 16471 1 108 508 ALA . 16471 1 109 509 HIS . 16471 1 110 510 ALA . 16471 1 111 511 GLU . 16471 1 112 512 ASN . 16471 1 113 513 ASN . 16471 1 114 514 ALA . 16471 1 115 515 PHE . 16471 1 116 516 ILE . 16471 1 117 517 THR . 16471 1 118 518 TRP . 16471 1 119 519 ASN . 16471 1 120 520 ASP . 16471 1 121 521 ILE . 16471 1 122 522 GLN . 16471 1 123 523 ALA . 16471 1 124 524 CYS . 16471 1 125 525 VAL . 16471 1 126 526 ASP . 16471 1 127 527 HIS . 16471 1 128 528 VAL . 16471 1 129 529 ASN . 16471 1 130 530 LEU . 16471 1 131 531 VAL . 16471 1 132 532 VAL . 16471 1 133 533 HIS . 16471 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 . LYS 1 1 16471 1 . GLY 2 2 16471 1 . ILE 3 3 16471 1 . ALA 4 4 16471 1 . GLU 5 5 16471 1 . LYS 6 6 16471 1 . THR 7 7 16471 1 . VAL 8 8 16471 1 . LEU 9 9 16471 1 . GLU 10 10 16471 1 . LEU 11 11 16471 1 . MET 12 12 16471 1 . ASN 13 13 16471 1 . PRO 14 14 16471 1 . GLU 15 15 16471 1 . ALA 16 16 16471 1 . GLN 17 17 16471 1 . LEU 18 18 16471 1 . PRO 19 19 16471 1 . GLN 20 20 16471 1 . VAL 21 21 16471 1 . TYR 22 22 16471 1 . PRO 23 23 16471 1 . PHE 24 24 16471 1 . ALA 25 25 16471 1 . ALA 26 26 16471 1 . ASP 27 27 16471 1 . LEU 28 28 16471 1 . TYR 29 29 16471 1 . GLN 30 30 16471 1 . LYS 31 31 16471 1 . GLU 32 32 16471 1 . LEU 33 33 16471 1 . ALA 34 34 16471 1 . THR 35 35 16471 1 . LEU 36 36 16471 1 . GLN 37 37 16471 1 . GLN 38 38 16471 1 . GLN 39 39 16471 1 . SER 40 40 16471 1 . PRO 41 41 16471 1 . GLU 42 42 16471 1 . HIS 43 43 16471 1 . SER 44 44 16471 1 . LEU 45 45 16471 1 . THR 46 46 16471 1 . HIS 47 47 16471 1 . PRO 48 48 16471 1 . GLU 49 49 16471 1 . LEU 50 50 16471 1 . THR 51 51 16471 1 . VAL 52 52 16471 1 . ALA 53 53 16471 1 . VAL 54 54 16471 1 . GLU 55 55 16471 1 . MET 56 56 16471 1 . LEU 57 57 16471 1 . SER 58 58 16471 1 . SER 59 59 16471 1 . VAL 60 60 16471 1 . ALA 61 61 16471 1 . LEU 62 62 16471 1 . ILE 63 63 16471 1 . ASN 64 64 16471 1 . ARG 65 65 16471 1 . ALA 66 66 16471 1 . LEU 67 67 16471 1 . GLU 68 68 16471 1 . SER 69 69 16471 1 . GLY 70 70 16471 1 . ASP 71 71 16471 1 . MET 72 72 16471 1 . THR 73 73 16471 1 . THR 74 74 16471 1 . VAL 75 75 16471 1 . TRP 76 76 16471 1 . LYS 77 77 16471 1 . GLN 78 78 16471 1 . LEU 79 79 16471 1 . SER 80 80 16471 1 . SER 81 81 16471 1 . SER 82 82 16471 1 . VAL 83 83 16471 1 . THR 84 84 16471 1 . GLY 85 85 16471 1 . LEU 86 86 16471 1 . THR 87 87 16471 1 . ASN 88 88 16471 1 . ILE 89 89 16471 1 . GLU 90 90 16471 1 . GLU 91 91 16471 1 . GLU 92 92 16471 1 . ASN 93 93 16471 1 . CYS 94 94 16471 1 . GLN 95 95 16471 1 . ARG 96 96 16471 1 . TYR 97 97 16471 1 . LEU 98 98 16471 1 . ASP 99 99 16471 1 . GLU 100 100 16471 1 . LEU 101 101 16471 1 . MET 102 102 16471 1 . LYS 103 103 16471 1 . LEU 104 104 16471 1 . LYS 105 105 16471 1 . ALA 106 106 16471 1 . GLN 107 107 16471 1 . ALA 108 108 16471 1 . HIS 109 109 16471 1 . ALA 110 110 16471 1 . GLU 111 111 16471 1 . ASN 112 112 16471 1 . ASN 113 113 16471 1 . ALA 114 114 16471 1 . PHE 115 115 16471 1 . ILE 116 116 16471 1 . THR 117 117 16471 1 . TRP 118 118 16471 1 . ASN 119 119 16471 1 . ASP 120 120 16471 1 . ILE 121 121 16471 1 . GLN 122 122 16471 1 . ALA 123 123 16471 1 . CYS 124 124 16471 1 . VAL 125 125 16471 1 . ASP 126 126 16471 1 . HIS 127 127 16471 1 . VAL 128 128 16471 1 . ASN 129 129 16471 1 . LEU 130 130 16471 1 . VAL 131 131 16471 1 . VAL 132 132 16471 1 . HIS 133 133 16471 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 16471 _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 $IQGAP1_(401-533) . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . IQGAP1 . . . . 16471 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 16471 _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 $IQGAP1_(401-533) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX4T2 . . . . . . 16471 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16471 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'IQGAP1 (401-533)' _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 'IQGAP1 (401-533)' '[U-13C; U-15N]' . . 1 $IQGAP1_(401-533) . . 200 . . uM . . . . 16471 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16471 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16471 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16471 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16471 _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' 150 . mM 16471 1 pH 7.5 . pH 16471 1 pressure 1 . atm 16471 1 temperature 303 . K 16471 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16471 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16471 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16471 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16471 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16471 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16471 2 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 16471 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16471 _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 . . . 16471 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 16471 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16471 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16471 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16471 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16471 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 16471 _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 . . . . . . . . . 16471 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16471 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16471 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 16471 _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 1 '2D 1H-15N HSQC' . . . 16471 1 2 '3D CBCA(CO)NH' . . . 16471 1 3 '3D HNCA' . . . 16471 1 4 '3D HNCACB' . . . 16471 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 LYS H H 1 8.434 . . 1 . . . . 401 LYS H . 16471 1 2 . 1 1 1 1 LYS CA C 13 56.69 . . 1 . . . . 401 LYS CA . 16471 1 3 . 1 1 1 1 LYS CB C 13 33.24 . . 1 . . . . 401 LYS CB . 16471 1 4 . 1 1 1 1 LYS N N 15 122 . . 1 . . . . 401 LYS N . 16471 1 5 . 1 1 2 2 GLY H H 1 8.48 . . 1 . . . . 402 GLY H . 16471 1 6 . 1 1 2 2 GLY CA C 13 45.32 . . 1 . . . . 402 GLY CA . 16471 1 7 . 1 1 2 2 GLY N N 15 109.89 . . 1 . . . . 402 GLY N . 16471 1 8 . 1 1 3 3 ILE H H 1 7.931 . . 1 . . . . 403 ILE H . 16471 1 9 . 1 1 3 3 ILE CA C 13 61.18 . . 1 . . . . 403 ILE CA . 16471 1 10 . 1 1 3 3 ILE CB C 13 38.65 . . 1 . . . . 403 ILE CB . 16471 1 11 . 1 1 3 3 ILE N N 15 119.959 . . 1 . . . . 403 ILE N . 16471 1 12 . 1 1 4 4 ALA H H 1 8.397 . . 1 . . . . 404 ALA H . 16471 1 13 . 1 1 4 4 ALA CA C 13 52.69 . . 1 . . . . 404 ALA CA . 16471 1 14 . 1 1 4 4 ALA CB C 13 19.13 . . 1 . . . . 404 ALA CB . 16471 1 15 . 1 1 4 4 ALA N N 15 127.509 . . 1 . . . . 404 ALA N . 16471 1 16 . 1 1 5 5 GLU H H 1 8.323 . . 1 . . . . 405 GLU H . 16471 1 17 . 1 1 5 5 GLU CA C 13 57.04 . . 1 . . . . 405 GLU CA . 16471 1 18 . 1 1 5 5 GLU CB C 13 30.22 . . 1 . . . . 405 GLU CB . 16471 1 19 . 1 1 5 5 GLU N N 15 120.331 . . 1 . . . . 405 GLU N . 16471 1 20 . 1 1 6 6 LYS H H 1 8.359 . . 1 . . . . 406 LYS H . 16471 1 21 . 1 1 6 6 LYS CA C 13 59.69 . . 1 . . . . 406 LYS CA . 16471 1 22 . 1 1 6 6 LYS CB C 13 33.17 . . 1 . . . . 406 LYS CB . 16471 1 23 . 1 1 6 6 LYS N N 15 122.65 . . 1 . . . . 406 LYS N . 16471 1 24 . 1 1 7 7 THR H H 1 8.226 . . 1 . . . . 407 THR H . 16471 1 25 . 1 1 7 7 THR CA C 13 62.52 . . 1 . . . . 407 THR CA . 16471 1 26 . 1 1 7 7 THR CB C 13 69.96 . . 1 . . . . 407 THR CB . 16471 1 27 . 1 1 7 7 THR N N 15 115.833 . . 1 . . . . 407 THR N . 16471 1 28 . 1 1 8 8 VAL H H 1 8.153 . . 1 . . . . 408 VAL H . 16471 1 29 . 1 1 8 8 VAL CA C 13 63.29 . . 1 . . . . 408 VAL CA . 16471 1 30 . 1 1 8 8 VAL CB C 13 32.54 . . 1 . . . . 408 VAL CB . 16471 1 31 . 1 1 8 8 VAL N N 15 121.897 . . 1 . . . . 408 VAL N . 16471 1 32 . 1 1 9 9 LEU H H 1 8.117 . . 1 . . . . 409 LEU H . 16471 1 33 . 1 1 9 9 LEU CA C 13 55.78 . . 1 . . . . 409 LEU CA . 16471 1 34 . 1 1 9 9 LEU CB C 13 42.16 . . 1 . . . . 409 LEU CB . 16471 1 35 . 1 1 9 9 LEU N N 15 124.103 . . 1 . . . . 409 LEU N . 16471 1 36 . 1 1 10 10 GLU H H 1 8.191 . . 1 . . . . 410 GLU H . 16471 1 37 . 1 1 10 10 GLU CA C 13 57.18 . . 1 . . . . 410 GLU CA . 16471 1 38 . 1 1 10 10 GLU CB C 13 30.22 . . 1 . . . . 410 GLU CB . 16471 1 39 . 1 1 10 10 GLU N N 15 120.866 . . 1 . . . . 410 GLU N . 16471 1 40 . 1 1 11 11 LEU H H 1 8.035 . . 1 . . . . 411 LEU H . 16471 1 41 . 1 1 11 11 LEU CA C 13 55.36 . . 1 . . . . 411 LEU CA . 16471 1 42 . 1 1 11 11 LEU CB C 13 42.37 . . 1 . . . . 411 LEU CB . 16471 1 43 . 1 1 11 11 LEU N N 15 121.734 . . 1 . . . . 411 LEU N . 16471 1 44 . 1 1 12 12 MET H H 1 8.098 . . 1 . . . . 412 MET H . 16471 1 45 . 1 1 12 12 MET CA C 13 55.43 . . 1 . . . . 412 MET CA . 16471 1 46 . 1 1 12 12 MET CB C 13 32.96 . . 1 . . . . 412 MET CB . 16471 1 47 . 1 1 12 12 MET N N 15 119.932 . . 1 . . . . 412 MET N . 16471 1 48 . 1 1 14 14 PRO CA C 13 64.06 . . 1 . . . . 414 PRO CA . 16471 1 49 . 1 1 14 14 PRO CB C 13 32.05 . . 1 . . . . 414 PRO CB . 16471 1 50 . 1 1 15 15 GLU H H 1 8.415 . . 1 . . . . 415 GLU H . 16471 1 51 . 1 1 15 15 GLU CA C 13 56.97 . . 1 . . . . 415 GLU CA . 16471 1 52 . 1 1 15 15 GLU CB C 13 29.66 . . 1 . . . . 415 GLU CB . 16471 1 53 . 1 1 15 15 GLU N N 15 119.096 . . 1 . . . . 415 GLU N . 16471 1 54 . 1 1 16 16 ALA H H 1 7.972 . . 1 . . . . 416 ALA H . 16471 1 55 . 1 1 16 16 ALA CA C 13 52.34 . . 1 . . . . 416 ALA CA . 16471 1 56 . 1 1 16 16 ALA CB C 13 19.34 . . 1 . . . . 416 ALA CB . 16471 1 57 . 1 1 16 16 ALA N N 15 123.689 . . 1 . . . . 416 ALA N . 16471 1 58 . 1 1 17 17 GLN H H 1 8.129 . . 1 . . . . 417 GLN H . 16471 1 59 . 1 1 17 17 GLN CA C 13 55.36 . . 1 . . . . 417 GLN CA . 16471 1 60 . 1 1 17 17 GLN CB C 13 29.38 . . 1 . . . . 417 GLN CB . 16471 1 61 . 1 1 17 17 GLN N N 15 118.763 . . 1 . . . . 417 GLN N . 16471 1 62 . 1 1 18 18 LEU H H 1 8.223 . . 1 . . . . 418 LEU H . 16471 1 63 . 1 1 18 18 LEU CA C 13 53.32 . . 1 . . . . 418 LEU CA . 16471 1 64 . 1 1 18 18 LEU CB C 13 41.59 . . 1 . . . . 418 LEU CB . 16471 1 65 . 1 1 18 18 LEU N N 15 124.665 . . 1 . . . . 418 LEU N . 16471 1 66 . 1 1 19 19 PRO CA C 13 65.68 . . 1 . . . . 419 PRO CA . 16471 1 67 . 1 1 19 19 PRO CB C 13 31.91 . . 1 . . . . 419 PRO CB . 16471 1 68 . 1 1 20 20 GLN H H 1 8.539 . . 1 . . . . 420 GLN H . 16471 1 69 . 1 1 20 20 GLN CA C 13 59.08 . . 1 . . . . 420 GLN CA . 16471 1 70 . 1 1 20 20 GLN CB C 13 29.17 . . 1 . . . . 420 GLN CB . 16471 1 71 . 1 1 20 20 GLN N N 15 121.128 . . 1 . . . . 420 GLN N . 16471 1 72 . 1 1 21 21 VAL H H 1 8 . . 1 . . . . 421 VAL H . 16471 1 73 . 1 1 21 21 VAL CA C 13 62.17 . . 1 . . . . 421 VAL CA . 16471 1 74 . 1 1 21 21 VAL CB C 13 33.03 . . 1 . . . . 421 VAL CB . 16471 1 75 . 1 1 21 21 VAL N N 15 120.912 . . 1 . . . . 421 VAL N . 16471 1 76 . 1 1 22 22 TYR H H 1 8.291 . . 1 . . . . 422 TYR H . 16471 1 77 . 1 1 22 22 TYR CA C 13 55.57 . . 1 . . . . 422 TYR CA . 16471 1 78 . 1 1 22 22 TYR CB C 13 38.37 . . 1 . . . . 422 TYR CB . 16471 1 79 . 1 1 22 22 TYR N N 15 124.721 . . 1 . . . . 422 TYR N . 16471 1 80 . 1 1 23 23 PRO CA C 13 62.87 . . 1 . . . . 423 PRO CA . 16471 1 81 . 1 1 23 23 PRO CB C 13 33.66 . . 1 . . . . 423 PRO CB . 16471 1 82 . 1 1 24 24 PHE H H 1 8.267 . . 1 . . . . 424 PHE H . 16471 1 83 . 1 1 24 24 PHE CA C 13 57.67 . . 1 . . . . 424 PHE CA . 16471 1 84 . 1 1 24 24 PHE CB C 13 39.07 . . 1 . . . . 424 PHE CB . 16471 1 85 . 1 1 24 24 PHE N N 15 122.19 . . 1 . . . . 424 PHE N . 16471 1 86 . 1 1 25 25 ALA H H 1 8.07 . . 1 . . . . 425 ALA H . 16471 1 87 . 1 1 25 25 ALA CA C 13 52.69 . . 1 . . . . 425 ALA CA . 16471 1 88 . 1 1 25 25 ALA CB C 13 19.27 . . 1 . . . . 425 ALA CB . 16471 1 89 . 1 1 25 25 ALA N N 15 125.153 . . 1 . . . . 425 ALA N . 16471 1 90 . 1 1 27 27 ASP H H 1 8.255 . . 1 . . . . 427 ASP H . 16471 1 91 . 1 1 27 27 ASP CA C 13 55.08 . . 1 . . . . 427 ASP CA . 16471 1 92 . 1 1 27 27 ASP CB C 13 40.82 . . 1 . . . . 427 ASP CB . 16471 1 93 . 1 1 27 27 ASP N N 15 118.073 . . 1 . . . . 427 ASP N . 16471 1 94 . 1 1 28 28 LEU H H 1 7.851 . . 1 . . . . 428 LEU H . 16471 1 95 . 1 1 28 28 LEU CA C 13 56.34 . . 1 . . . . 428 LEU CA . 16471 1 96 . 1 1 28 28 LEU CB C 13 42.02 . . 1 . . . . 428 LEU CB . 16471 1 97 . 1 1 28 28 LEU N N 15 121.357 . . 1 . . . . 428 LEU N . 16471 1 98 . 1 1 29 29 TYR H H 1 8.001 . . 1 . . . . 429 TYR H . 16471 1 99 . 1 1 29 29 TYR CA C 13 59.01 . . 1 . . . . 429 TYR CA . 16471 1 100 . 1 1 29 29 TYR CB C 13 38.37 . . 1 . . . . 429 TYR CB . 16471 1 101 . 1 1 29 29 TYR N N 15 119.536 . . 1 . . . . 429 TYR N . 16471 1 102 . 1 1 30 30 GLN H H 1 8.098 . . 1 . . . . 430 GLN H . 16471 1 103 . 1 1 30 30 GLN CA C 13 56.97 . . 1 . . . . 430 GLN CA . 16471 1 104 . 1 1 30 30 GLN CB C 13 28.89 . . 1 . . . . 430 GLN CB . 16471 1 105 . 1 1 30 30 GLN N N 15 119.932 . . 1 . . . . 430 GLN N . 16471 1 106 . 1 1 32 32 GLU H H 1 8.403 . . 1 . . . . 432 GLU H . 16471 1 107 . 1 1 32 32 GLU CA C 13 57.6 . . 1 . . . . 432 GLU CA . 16471 1 108 . 1 1 32 32 GLU CB C 13 29.66 . . 1 . . . . 432 GLU CB . 16471 1 109 . 1 1 32 32 GLU N N 15 120.823 . . 1 . . . . 432 GLU N . 16471 1 110 . 1 1 33 33 LEU H H 1 8.153 . . 1 . . . . 433 LEU H . 16471 1 111 . 1 1 33 33 LEU CA C 13 56.13 . . 1 . . . . 433 LEU CA . 16471 1 112 . 1 1 33 33 LEU CB C 13 41.95 . . 1 . . . . 433 LEU CB . 16471 1 113 . 1 1 33 33 LEU N N 15 121.897 . . 1 . . . . 433 LEU N . 16471 1 114 . 1 1 34 34 ALA H H 1 8.083 . . 1 . . . . 434 ALA H . 16471 1 115 . 1 1 34 34 ALA CA C 13 53.67 . . 1 . . . . 434 ALA CA . 16471 1 116 . 1 1 34 34 ALA CB C 13 18.78 . . 1 . . . . 434 ALA CB . 16471 1 117 . 1 1 34 34 ALA N N 15 122.77 . . 1 . . . . 434 ALA N . 16471 1 118 . 1 1 35 35 THR H H 1 7.91 . . 1 . . . . 435 THR H . 16471 1 119 . 1 1 35 35 THR CA C 13 63.08 . . 1 . . . . 435 THR CA . 16471 1 120 . 1 1 35 35 THR CB C 13 69.33 . . 1 . . . . 435 THR CB . 16471 1 121 . 1 1 35 35 THR N N 15 112.826 . . 1 . . . . 435 THR N . 16471 1 122 . 1 1 36 36 LEU H H 1 7.988 . . 1 . . . . 436 LEU H . 16471 1 123 . 1 1 36 36 LEU CA C 13 56.06 . . 1 . . . . 436 LEU CA . 16471 1 124 . 1 1 36 36 LEU CB C 13 42.09 . . 1 . . . . 436 LEU CB . 16471 1 125 . 1 1 36 36 LEU N N 15 123.298 . . 1 . . . . 436 LEU N . 16471 1 126 . 1 1 37 37 GLN H H 1 8.22 . . 1 . . . . 437 GLN H . 16471 1 127 . 1 1 37 37 GLN CA C 13 56.41 . . 1 . . . . 437 GLN CA . 16471 1 128 . 1 1 37 37 GLN CB C 13 29.17 . . 1 . . . . 437 GLN CB . 16471 1 129 . 1 1 37 37 GLN N N 15 119.62 . . 1 . . . . 437 GLN N . 16471 1 130 . 1 1 40 40 SER H H 1 8.103 . . 1 . . . . 440 SER H . 16471 1 131 . 1 1 40 40 SER CA C 13 55.64 . . 1 . . . . 440 SER CA . 16471 1 132 . 1 1 40 40 SER CB C 13 64.13 . . 1 . . . . 440 SER CB . 16471 1 133 . 1 1 40 40 SER N N 15 116.733 . . 1 . . . . 440 SER N . 16471 1 134 . 1 1 41 41 PRO CA C 13 63.78 . . 1 . . . . 441 PRO CA . 16471 1 135 . 1 1 41 41 PRO CB C 13 31.98 . . 1 . . . . 441 PRO CB . 16471 1 136 . 1 1 42 42 GLU H H 1 8.536 . . 1 . . . . 442 GLU H . 16471 1 137 . 1 1 42 42 GLU CA C 13 57.25 . . 1 . . . . 442 GLU CA . 16471 1 138 . 1 1 42 42 GLU CB C 13 29.73 . . 1 . . . . 442 GLU CB . 16471 1 139 . 1 1 42 42 GLU N N 15 119.643 . . 1 . . . . 442 GLU N . 16471 1 140 . 1 1 44 44 SER H H 1 8.156 . . 1 . . . . 444 SER H . 16471 1 141 . 1 1 44 44 SER CA C 13 58.66 . . 1 . . . . 444 SER CA . 16471 1 142 . 1 1 44 44 SER CB C 13 63.71 . . 1 . . . . 444 SER CB . 16471 1 143 . 1 1 44 44 SER N N 15 116.376 . . 1 . . . . 444 SER N . 16471 1 144 . 1 1 45 45 LEU H H 1 8.289 . . 1 . . . . 445 LEU H . 16471 1 145 . 1 1 45 45 LEU CA C 13 55.43 . . 1 . . . . 445 LEU CA . 16471 1 146 . 1 1 45 45 LEU CB C 13 42.37 . . 1 . . . . 445 LEU CB . 16471 1 147 . 1 1 45 45 LEU N N 15 123.616 . . 1 . . . . 445 LEU N . 16471 1 148 . 1 1 46 46 THR H H 1 8.026 . . 1 . . . . 446 THR H . 16471 1 149 . 1 1 46 46 THR CA C 13 61.68 . . 1 . . . . 446 THR CA . 16471 1 150 . 1 1 46 46 THR CB C 13 69.82 . . 1 . . . . 446 THR CB . 16471 1 151 . 1 1 46 46 THR N N 15 113.506 . . 1 . . . . 446 THR N . 16471 1 152 . 1 1 48 48 PRO CA C 13 64.06 . . 1 . . . . 448 PRO CA . 16471 1 153 . 1 1 48 48 PRO CB C 13 31.98 . . 1 . . . . 448 PRO CB . 16471 1 154 . 1 1 49 49 GLU H H 1 8.9 . . 1 . . . . 449 GLU H . 16471 1 155 . 1 1 49 49 GLU CA C 13 57.25 . . 1 . . . . 449 GLU CA . 16471 1 156 . 1 1 49 49 GLU CB C 13 29.8 . . 1 . . . . 449 GLU CB . 16471 1 157 . 1 1 49 49 GLU N N 15 120.18 . . 1 . . . . 449 GLU N . 16471 1 158 . 1 1 50 50 LEU H H 1 8.22 . . 1 . . . . 450 LEU H . 16471 1 159 . 1 1 50 50 LEU CA C 13 55.71 . . 1 . . . . 450 LEU CA . 16471 1 160 . 1 1 50 50 LEU CB C 13 42.23 . . 1 . . . . 450 LEU CB . 16471 1 161 . 1 1 50 50 LEU N N 15 122.891 . . 1 . . . . 450 LEU N . 16471 1 162 . 1 1 51 51 THR H H 1 8.025 . . 1 . . . . 451 THR H . 16471 1 163 . 1 1 51 51 THR CA C 13 63.36 . . 1 . . . . 451 THR CA . 16471 1 164 . 1 1 51 51 THR CB C 13 69.33 . . 1 . . . . 451 THR CB . 16471 1 165 . 1 1 51 51 THR N N 15 114.779 . . 1 . . . . 451 THR N . 16471 1 166 . 1 1 52 52 VAL H H 1 7.851 . . 1 . . . . 452 VAL H . 16471 1 167 . 1 1 52 52 VAL CA C 13 63.57 . . 1 . . . . 452 VAL CA . 16471 1 168 . 1 1 52 52 VAL CB C 13 32.33 . . 1 . . . . 452 VAL CB . 16471 1 169 . 1 1 52 52 VAL N N 15 121.357 . . 1 . . . . 452 VAL N . 16471 1 170 . 1 1 53 53 ALA H H 1 8.039 . . 1 . . . . 453 ALA H . 16471 1 171 . 1 1 53 53 ALA CA C 13 53.67 . . 1 . . . . 453 ALA CA . 16471 1 172 . 1 1 53 53 ALA CB C 13 18.92 . . 1 . . . . 453 ALA CB . 16471 1 173 . 1 1 53 53 ALA N N 15 125.661 . . 1 . . . . 453 ALA N . 16471 1 174 . 1 1 54 54 VAL H H 1 8.207 . . 1 . . . . 454 VAL H . 16471 1 175 . 1 1 54 54 VAL CA C 13 65.54 . . 1 . . . . 454 VAL CA . 16471 1 176 . 1 1 54 54 VAL CB C 13 31.91 . . 1 . . . . 454 VAL CB . 16471 1 177 . 1 1 54 54 VAL N N 15 119.192 . . 1 . . . . 454 VAL N . 16471 1 178 . 1 1 57 57 LEU H H 1 8.157 . . 1 . . . . 457 LEU H . 16471 1 179 . 1 1 57 57 LEU CA C 13 57.67 . . 1 . . . . 457 LEU CA . 16471 1 180 . 1 1 57 57 LEU CB C 13 41.46 . . 1 . . . . 457 LEU CB . 16471 1 181 . 1 1 57 57 LEU N N 15 120.171 . . 1 . . . . 457 LEU N . 16471 1 182 . 1 1 58 58 SER H H 1 8.57 . . 1 . . . . 458 SER H . 16471 1 183 . 1 1 58 58 SER CA C 13 61.04 . . 1 . . . . 458 SER CA . 16471 1 184 . 1 1 58 58 SER CB C 13 62.66 . . 1 . . . . 458 SER CB . 16471 1 185 . 1 1 58 58 SER N N 15 116.571 . . 1 . . . . 458 SER N . 16471 1 186 . 1 1 59 59 SER H H 1 7.898 . . 1 . . . . 459 SER H . 16471 1 187 . 1 1 59 59 SER CA C 13 60.83 . . 1 . . . . 459 SER CA . 16471 1 188 . 1 1 59 59 SER CB C 13 62.52 . . 1 . . . . 459 SER CB . 16471 1 189 . 1 1 59 59 SER N N 15 117.131 . . 1 . . . . 459 SER N . 16471 1 190 . 1 1 60 60 VAL H H 1 8.313 . . 1 . . . . 460 VAL H . 16471 1 191 . 1 1 60 60 VAL CA C 13 66.94 . . 1 . . . . 460 VAL CA . 16471 1 192 . 1 1 60 60 VAL CB C 13 31.69 . . 1 . . . . 460 VAL CB . 16471 1 193 . 1 1 60 60 VAL N N 15 119.722 . . 1 . . . . 460 VAL N . 16471 1 194 . 1 1 61 61 ALA H H 1 8.563 . . 1 . . . . 461 ALA H . 16471 1 195 . 1 1 61 61 ALA CA C 13 56.34 . . 1 . . . . 461 ALA CA . 16471 1 196 . 1 1 61 61 ALA CB C 13 17.73 . . 1 . . . . 461 ALA CB . 16471 1 197 . 1 1 61 61 ALA N N 15 126.425 . . 1 . . . . 461 ALA N . 16471 1 198 . 1 1 62 62 LEU H H 1 8.069 . . 1 . . . . 462 LEU H . 16471 1 199 . 1 1 62 62 LEU CA C 13 58.17 . . 1 . . . . 462 LEU CA . 16471 1 200 . 1 1 62 62 LEU CB C 13 41.53 . . 1 . . . . 462 LEU CB . 16471 1 201 . 1 1 62 62 LEU N N 15 120.92 . . 1 . . . . 462 LEU N . 16471 1 202 . 1 1 63 63 ILE H H 1 8.724 . . 1 . . . . 463 ILE H . 16471 1 203 . 1 1 63 63 ILE CA C 13 66.83 . . 1 . . . . 463 ILE CA . 16471 1 204 . 1 1 63 63 ILE CB C 13 37.74 . . 1 . . . . 463 ILE CB . 16471 1 205 . 1 1 63 63 ILE N N 15 120.042 . . 1 . . . . 463 ILE N . 16471 1 206 . 1 1 64 64 ASN H H 1 8.016 . . 1 . . . . 464 ASN H . 16471 1 207 . 1 1 64 64 ASN CA C 13 58.87 . . 1 . . . . 464 ASN CA . 16471 1 208 . 1 1 64 64 ASN CB C 13 40.47 . . 1 . . . . 464 ASN CB . 16471 1 209 . 1 1 64 64 ASN N N 15 117.898 . . 1 . . . . 464 ASN N . 16471 1 210 . 1 1 65 65 ARG H H 1 8.083 . . 1 . . . . 465 ARG H . 16471 1 211 . 1 1 65 65 ARG CA C 13 59.15 . . 1 . . . . 465 ARG CA . 16471 1 212 . 1 1 65 65 ARG CB C 13 30.36 . . 1 . . . . 465 ARG CB . 16471 1 213 . 1 1 65 65 ARG N N 15 118.263 . . 1 . . . . 465 ARG N . 16471 1 214 . 1 1 66 66 ALA H H 1 8.846 . . 1 . . . . 466 ALA H . 16471 1 215 . 1 1 66 66 ALA CA C 13 54.87 . . 1 . . . . 466 ALA CA . 16471 1 216 . 1 1 66 66 ALA CB C 13 18.29 . . 1 . . . . 466 ALA CB . 16471 1 217 . 1 1 66 66 ALA N N 15 123.753 . . 1 . . . . 466 ALA N . 16471 1 218 . 1 1 67 67 LEU H H 1 8.453 . . 1 . . . . 467 LEU H . 16471 1 219 . 1 1 67 67 LEU CA C 13 57.81 . . 1 . . . . 467 LEU CA . 16471 1 220 . 1 1 67 67 LEU CB C 13 42.58 . . 1 . . . . 467 LEU CB . 16471 1 221 . 1 1 67 67 LEU N N 15 119.44 . . 1 . . . . 467 LEU N . 16471 1 222 . 1 1 68 68 GLU H H 1 7.687 . . 1 . . . . 468 GLU H . 16471 1 223 . 1 1 68 68 GLU CA C 13 58.94 . . 1 . . . . 468 GLU CA . 16471 1 224 . 1 1 68 68 GLU CB C 13 29.31 . . 1 . . . . 468 GLU CB . 16471 1 225 . 1 1 68 68 GLU N N 15 118.019 . . 1 . . . . 468 GLU N . 16471 1 226 . 1 1 69 69 SER H H 1 7.91 . . 1 . . . . 469 SER H . 16471 1 227 . 1 1 69 69 SER CA C 13 58.66 . . 1 . . . . 469 SER CA . 16471 1 228 . 1 1 69 69 SER CB C 13 64.13 . . 1 . . . . 469 SER CB . 16471 1 229 . 1 1 69 69 SER N N 15 111.621 . . 1 . . . . 469 SER N . 16471 1 230 . 1 1 70 70 GLY H H 1 7.78 . . 1 . . . . 470 GLY H . 16471 1 231 . 1 1 70 70 GLY CA C 13 46.3 . . 1 . . . . 470 GLY CA . 16471 1 232 . 1 1 70 70 GLY N N 15 111.271 . . 1 . . . . 470 GLY N . 16471 1 233 . 1 1 71 71 ASP H H 1 8.454 . . 1 . . . . 471 ASP H . 16471 1 234 . 1 1 71 71 ASP CA C 13 51.71 . . 1 . . . . 471 ASP CA . 16471 1 235 . 1 1 71 71 ASP CB C 13 38.99 . . 1 . . . . 471 ASP CB . 16471 1 236 . 1 1 71 71 ASP N N 15 120.717 . . 1 . . . . 471 ASP N . 16471 1 237 . 1 1 72 72 MET H H 1 8.153 . . 1 . . . . 472 MET H . 16471 1 238 . 1 1 72 72 MET CA C 13 56.48 . . 1 . . . . 472 MET CA . 16471 1 239 . 1 1 72 72 MET CB C 13 31.63 . . 1 . . . . 472 MET CB . 16471 1 240 . 1 1 72 72 MET N N 15 121.897 . . 1 . . . . 472 MET N . 16471 1 241 . 1 1 73 73 THR H H 1 8.369 . . 1 . . . . 473 THR H . 16471 1 242 . 1 1 73 73 THR CA C 13 66.52 . . 1 . . . . 473 THR CA . 16471 1 243 . 1 1 73 73 THR CB C 13 68.2 . . 1 . . . . 473 THR CB . 16471 1 244 . 1 1 73 73 THR N N 15 117.469 . . 1 . . . . 473 THR N . 16471 1 245 . 1 1 74 74 THR H H 1 7.599 . . 1 . . . . 474 THR H . 16471 1 246 . 1 1 74 74 THR CA C 13 66.59 . . 1 . . . . 474 THR CA . 16471 1 247 . 1 1 74 74 THR CB C 13 67.78 . . 1 . . . . 474 THR CB . 16471 1 248 . 1 1 74 74 THR N N 15 120.922 . . 1 . . . . 474 THR N . 16471 1 249 . 1 1 76 76 TRP H H 1 8.454 . . 1 . . . . 476 TRP H . 16471 1 250 . 1 1 76 76 TRP CA C 13 55.49 . . 1 . . . . 476 TRP CA . 16471 1 251 . 1 1 76 76 TRP CB C 13 29.59 . . 1 . . . . 476 TRP CB . 16471 1 252 . 1 1 76 76 TRP N N 15 120.717 . . 1 . . . . 476 TRP N . 16471 1 253 . 1 1 77 77 LYS H H 1 8 . . 1 . . . . 477 LYS H . 16471 1 254 . 1 1 77 77 LYS CA C 13 59.22 . . 1 . . . . 477 LYS CA . 16471 1 255 . 1 1 77 77 LYS CB C 13 33.17 . . 1 . . . . 477 LYS CB . 16471 1 256 . 1 1 77 77 LYS N N 15 120.912 . . 1 . . . . 477 LYS N . 16471 1 257 . 1 1 78 78 GLN H H 1 8.098 . . 1 . . . . 478 GLN H . 16471 1 258 . 1 1 78 78 GLN CA C 13 58.94 . . 1 . . . . 478 GLN CA . 16471 1 259 . 1 1 78 78 GLN CB C 13 29.17 . . 1 . . . . 478 GLN CB . 16471 1 260 . 1 1 78 78 GLN N N 15 119.932 . . 1 . . . . 478 GLN N . 16471 1 261 . 1 1 79 79 LEU H H 1 8.884 . . 1 . . . . 479 LEU H . 16471 1 262 . 1 1 79 79 LEU CA C 13 58.09 . . 1 . . . . 479 LEU CA . 16471 1 263 . 1 1 79 79 LEU CB C 13 42.3 . . 1 . . . . 479 LEU CB . 16471 1 264 . 1 1 79 79 LEU N N 15 122.002 . . 1 . . . . 479 LEU N . 16471 1 265 . 1 1 80 80 SER H H 1 7.206 . . 1 . . . . 480 SER H . 16471 1 266 . 1 1 80 80 SER CA C 13 57.95 . . 1 . . . . 480 SER CA . 16471 1 267 . 1 1 80 80 SER CB C 13 63.5 . . 1 . . . . 480 SER CB . 16471 1 268 . 1 1 80 80 SER N N 15 106.455 . . 1 . . . . 480 SER N . 16471 1 269 . 1 1 81 81 SER H H 1 6.914 . . 1 . . . . 481 SER H . 16471 1 270 . 1 1 81 81 SER CA C 13 57.46 . . 1 . . . . 481 SER CA . 16471 1 271 . 1 1 81 81 SER CB C 13 63.43 . . 1 . . . . 481 SER CB . 16471 1 272 . 1 1 81 81 SER N N 15 116.51 . . 1 . . . . 481 SER N . 16471 1 273 . 1 1 83 83 VAL H H 1 7.847 . . 1 . . . . 483 VAL H . 16471 1 274 . 1 1 83 83 VAL CA C 13 64.2 . . 1 . . . . 483 VAL CA . 16471 1 275 . 1 1 83 83 VAL CB C 13 31.63 . . 1 . . . . 483 VAL CB . 16471 1 276 . 1 1 83 83 VAL N N 15 119.728 . . 1 . . . . 483 VAL N . 16471 1 277 . 1 1 84 84 THR H H 1 7.348 . . 1 . . . . 484 THR H . 16471 1 278 . 1 1 84 84 THR CA C 13 63.92 . . 1 . . . . 484 THR CA . 16471 1 279 . 1 1 84 84 THR CB C 13 67.64 . . 1 . . . . 484 THR CB . 16471 1 280 . 1 1 84 84 THR N N 15 114.907 . . 1 . . . . 484 THR N . 16471 1 281 . 1 1 85 85 GLY H H 1 7.574 . . 1 . . . . 485 GLY H . 16471 1 282 . 1 1 85 85 GLY CA C 13 46.93 . . 1 . . . . 485 GLY CA . 16471 1 283 . 1 1 85 85 GLY N N 15 104.628 . . 1 . . . . 485 GLY N . 16471 1 284 . 1 1 86 86 LEU H H 1 7.905 . . 1 . . . . 486 LEU H . 16471 1 285 . 1 1 86 86 LEU CA C 13 54.59 . . 1 . . . . 486 LEU CA . 16471 1 286 . 1 1 86 86 LEU CB C 13 42.37 . . 1 . . . . 486 LEU CB . 16471 1 287 . 1 1 86 86 LEU N N 15 119.239 . . 1 . . . . 486 LEU N . 16471 1 288 . 1 1 87 87 THR H H 1 9.51 . . 1 . . . . 487 THR H . 16471 1 289 . 1 1 87 87 THR CA C 13 60.56 . . 1 . . . . 487 THR CA . 16471 1 290 . 1 1 87 87 THR CB C 13 71.4 . . 1 . . . . 487 THR CB . 16471 1 291 . 1 1 87 87 THR N N 15 114.19 . . 1 . . . . 487 THR N . 16471 1 292 . 1 1 88 88 ASN H H 1 8.564 . . 1 . . . . 488 ASN H . 16471 1 293 . 1 1 88 88 ASN CA C 13 54.28 . . 1 . . . . 488 ASN CA . 16471 1 294 . 1 1 88 88 ASN CB C 13 36.54 . . 1 . . . . 488 ASN CB . 16471 1 295 . 1 1 88 88 ASN N N 15 112.641 . . 1 . . . . 488 ASN N . 16471 1 296 . 1 1 89 89 ILE H H 1 7.902 . . 1 . . . . 489 ILE H . 16471 1 297 . 1 1 89 89 ILE CA C 13 60.55 . . 1 . . . . 489 ILE CA . 16471 1 298 . 1 1 89 89 ILE CB C 13 34.78 . . 1 . . . . 489 ILE CB . 16471 1 299 . 1 1 89 89 ILE N N 15 117.768 . . 1 . . . . 489 ILE N . 16471 1 300 . 1 1 90 90 GLU H H 1 9.069 . . 1 . . . . 490 GLU H . 16471 1 301 . 1 1 90 90 GLU CA C 13 54.3 . . 1 . . . . 490 GLU CA . 16471 1 302 . 1 1 90 90 GLU CB C 13 30.08 . . 1 . . . . 490 GLU CB . 16471 1 303 . 1 1 90 90 GLU N N 15 130.971 . . 1 . . . . 490 GLU N . 16471 1 304 . 1 1 91 91 GLU H H 1 9.229 . . 1 . . . . 491 GLU H . 16471 1 305 . 1 1 91 91 GLU CA C 13 60.69 . . 1 . . . . 491 GLU CA . 16471 1 306 . 1 1 91 91 GLU CB C 13 29.66 . . 1 . . . . 491 GLU CB . 16471 1 307 . 1 1 91 91 GLU N N 15 127.975 . . 1 . . . . 491 GLU N . 16471 1 308 . 1 1 92 92 GLU H H 1 9.476 . . 1 . . . . 492 GLU H . 16471 1 309 . 1 1 92 92 GLU CA C 13 58.77 . . 1 . . . . 492 GLU CA . 16471 1 310 . 1 1 92 92 GLU CB C 13 29.17 . . 1 . . . . 492 GLU CB . 16471 1 311 . 1 1 92 92 GLU N N 15 117.988 . . 1 . . . . 492 GLU N . 16471 1 312 . 1 1 93 93 ASN H H 1 7.777 . . 1 . . . . 493 ASN H . 16471 1 313 . 1 1 93 93 ASN CA C 13 51.99 . . 1 . . . . 493 ASN CA . 16471 1 314 . 1 1 93 93 ASN CB C 13 38.44 . . 1 . . . . 493 ASN CB . 16471 1 315 . 1 1 93 93 ASN N N 15 115.64 . . 1 . . . . 493 ASN N . 16471 1 316 . 1 1 94 94 CYS H H 1 7.143 . . 1 . . . . 494 CYS H . 16471 1 317 . 1 1 94 94 CYS CA C 13 62.66 . . 1 . . . . 494 CYS CA . 16471 1 318 . 1 1 94 94 CYS CB C 13 26.29 . . 1 . . . . 494 CYS CB . 16471 1 319 . 1 1 94 94 CYS N N 15 118.55 . . 1 . . . . 494 CYS N . 16471 1 320 . 1 1 95 95 GLN H H 1 8.312 . . 1 . . . . 495 GLN H . 16471 1 321 . 1 1 95 95 GLN CA C 13 58.79 . . 1 . . . . 495 GLN CA . 16471 1 322 . 1 1 95 95 GLN CB C 13 28.12 . . 1 . . . . 495 GLN CB . 16471 1 323 . 1 1 95 95 GLN N N 15 116.395 . . 1 . . . . 495 GLN N . 16471 1 324 . 1 1 96 96 ARG H H 1 7.271 . . 1 . . . . 496 ARG H . 16471 1 325 . 1 1 96 96 ARG CA C 13 58.94 . . 1 . . . . 496 ARG CA . 16471 1 326 . 1 1 96 96 ARG CB C 13 30.22 . . 1 . . . . 496 ARG CB . 16471 1 327 . 1 1 96 96 ARG N N 15 117.169 . . 1 . . . . 496 ARG N . 16471 1 328 . 1 1 97 97 TYR H H 1 8.224 . . 1 . . . . 497 TYR H . 16471 1 329 . 1 1 97 97 TYR CA C 13 59.36 . . 1 . . . . 497 TYR CA . 16471 1 330 . 1 1 97 97 TYR CB C 13 37.95 . . 1 . . . . 497 TYR CB . 16471 1 331 . 1 1 97 97 TYR N N 15 117.756 . . 1 . . . . 497 TYR N . 16471 1 332 . 1 1 98 98 LEU H H 1 8.016 . . 1 . . . . 498 LEU H . 16471 1 333 . 1 1 98 98 LEU CA C 13 58.87 . . 1 . . . . 498 LEU CA . 16471 1 334 . 1 1 98 98 LEU CB C 13 40.47 . . 1 . . . . 498 LEU CB . 16471 1 335 . 1 1 98 98 LEU N N 15 117.898 . . 1 . . . . 498 LEU N . 16471 1 336 . 1 1 99 99 ASP H H 1 8.471 . . 1 . . . . 499 ASP H . 16471 1 337 . 1 1 99 99 ASP CA C 13 57.42 . . 1 . . . . 499 ASP CA . 16471 1 338 . 1 1 99 99 ASP CB C 13 40.61 . . 1 . . . . 499 ASP CB . 16471 1 339 . 1 1 99 99 ASP N N 15 118.416 . . 1 . . . . 499 ASP N . 16471 1 340 . 1 1 101 101 LEU H H 1 8.806 . . 1 . . . . 501 LEU H . 16471 1 341 . 1 1 101 101 LEU CA C 13 57.88 . . 1 . . . . 501 LEU CA . 16471 1 342 . 1 1 101 101 LEU CB C 13 42.37 . . 1 . . . . 501 LEU CB . 16471 1 343 . 1 1 101 101 LEU N N 15 122.954 . . 1 . . . . 501 LEU N . 16471 1 344 . 1 1 102 102 MET H H 1 8.258 . . 1 . . . . 502 MET H . 16471 1 345 . 1 1 102 102 MET CA C 13 58.17 . . 1 . . . . 502 MET CA . 16471 1 346 . 1 1 102 102 MET CB C 13 32.05 . . 1 . . . . 502 MET CB . 16471 1 347 . 1 1 102 102 MET N N 15 118.073 . . 1 . . . . 502 MET N . 16471 1 348 . 1 1 103 103 LYS H H 1 7.61 . . 1 . . . . 503 LYS H . 16471 1 349 . 1 1 103 103 LYS CA C 13 59.57 . . 1 . . . . 503 LYS CA . 16471 1 350 . 1 1 103 103 LYS CB C 13 32.33 . . 1 . . . . 503 LYS CB . 16471 1 351 . 1 1 103 103 LYS N N 15 121.339 . . 1 . . . . 503 LYS N . 16471 1 352 . 1 1 104 104 LEU H H 1 8.259 . . 1 . . . . 504 LEU H . 16471 1 353 . 1 1 104 104 LEU CA C 13 57.53 . . 1 . . . . 504 LEU CA . 16471 1 354 . 1 1 104 104 LEU CB C 13 42.09 . . 1 . . . . 504 LEU CB . 16471 1 355 . 1 1 104 104 LEU N N 15 121.448 . . 1 . . . . 504 LEU N . 16471 1 356 . 1 1 105 105 LYS H H 1 8.47 . . 1 . . . . 505 LYS H . 16471 1 357 . 1 1 105 105 LYS CA C 13 57.53 . . 1 . . . . 505 LYS CA . 16471 1 358 . 1 1 105 105 LYS CB C 13 31.77 . . 1 . . . . 505 LYS CB . 16471 1 359 . 1 1 105 105 LYS N N 15 119.583 . . 1 . . . . 505 LYS N . 16471 1 360 . 1 1 106 106 ALA H H 1 7.824 . . 1 . . . . 506 ALA H . 16471 1 361 . 1 1 106 106 ALA CA C 13 54.73 . . 1 . . . . 506 ALA CA . 16471 1 362 . 1 1 106 106 ALA CB C 13 18.08 . . 1 . . . . 506 ALA CB . 16471 1 363 . 1 1 106 106 ALA N N 15 121.14 . . 1 . . . . 506 ALA N . 16471 1 364 . 1 1 107 107 GLN H H 1 8.001 . . 1 . . . . 507 GLN H . 16471 1 365 . 1 1 107 107 GLN CA C 13 57.74 . . 1 . . . . 507 GLN CA . 16471 1 366 . 1 1 107 107 GLN CB C 13 28.54 . . 1 . . . . 507 GLN CB . 16471 1 367 . 1 1 107 107 GLN N N 15 119.536 . . 1 . . . . 507 GLN N . 16471 1 368 . 1 1 108 108 ALA H H 1 8.24 . . 1 . . . . 508 ALA H . 16471 1 369 . 1 1 108 108 ALA CA C 13 54.66 . . 1 . . . . 508 ALA CA . 16471 1 370 . 1 1 108 108 ALA CB C 13 17.94 . . 1 . . . . 508 ALA CB . 16471 1 371 . 1 1 108 108 ALA N N 15 123.342 . . 1 . . . . 508 ALA N . 16471 1 372 . 1 1 109 109 HIS H H 1 8.299 . . 1 . . . . 509 HIS H . 16471 1 373 . 1 1 109 109 HIS CA C 13 59.08 . . 1 . . . . 509 HIS CA . 16471 1 374 . 1 1 109 109 HIS CB C 13 30.5 . . 1 . . . . 509 HIS CB . 16471 1 375 . 1 1 109 109 HIS N N 15 118.418 . . 1 . . . . 509 HIS N . 16471 1 376 . 1 1 110 110 ALA H H 1 7.988 . . 1 . . . . 510 ALA H . 16471 1 377 . 1 1 110 110 ALA CA C 13 54.09 . . 1 . . . . 510 ALA CA . 16471 1 378 . 1 1 110 110 ALA CB C 13 18.43 . . 1 . . . . 510 ALA CB . 16471 1 379 . 1 1 110 110 ALA N N 15 123.298 . . 1 . . . . 510 ALA N . 16471 1 380 . 1 1 111 111 GLU H H 1 7.99 . . 1 . . . . 511 GLU H . 16471 1 381 . 1 1 111 111 GLU CA C 13 55.92 . . 1 . . . . 511 GLU CA . 16471 1 382 . 1 1 111 111 GLU CB C 13 29.38 . . 1 . . . . 511 GLU CB . 16471 1 383 . 1 1 111 111 GLU N N 15 117.494 . . 1 . . . . 511 GLU N . 16471 1 384 . 1 1 112 112 ASN H H 1 8.051 . . 1 . . . . 512 ASN H . 16471 1 385 . 1 1 112 112 ASN CA C 13 53.88 . . 1 . . . . 512 ASN CA . 16471 1 386 . 1 1 112 112 ASN CB C 13 37.88 . . 1 . . . . 512 ASN CB . 16471 1 387 . 1 1 112 112 ASN N N 15 115.356 . . 1 . . . . 512 ASN N . 16471 1 388 . 1 1 113 113 ASN H H 1 8.313 . . 1 . . . . 513 ASN H . 16471 1 389 . 1 1 113 113 ASN CA C 13 53.04 . . 1 . . . . 513 ASN CA . 16471 1 390 . 1 1 113 113 ASN CB C 13 38.65 . . 1 . . . . 513 ASN CB . 16471 1 391 . 1 1 113 113 ASN N N 15 117.364 . . 1 . . . . 513 ASN N . 16471 1 392 . 1 1 114 114 ALA H H 1 8.22 . . 1 . . . . 514 ALA H . 16471 1 393 . 1 1 114 114 ALA CA C 13 53.39 . . 1 . . . . 514 ALA CA . 16471 1 394 . 1 1 114 114 ALA CB C 13 19.41 . . 1 . . . . 514 ALA CB . 16471 1 395 . 1 1 114 114 ALA N N 15 122.891 . . 1 . . . . 514 ALA N . 16471 1 396 . 1 1 115 115 PHE H H 1 7.893 . . 1 . . . . 515 PHE H . 16471 1 397 . 1 1 115 115 PHE CA C 13 56.97 . . 1 . . . . 515 PHE CA . 16471 1 398 . 1 1 115 115 PHE CB C 13 40.82 . . 1 . . . . 515 PHE CB . 16471 1 399 . 1 1 115 115 PHE N N 15 118.489 . . 1 . . . . 515 PHE N . 16471 1 400 . 1 1 116 116 ILE H H 1 8.741 . . 1 . . . . 516 ILE H . 16471 1 401 . 1 1 116 116 ILE CA C 13 60.34 . . 1 . . . . 516 ILE CA . 16471 1 402 . 1 1 116 116 ILE CB C 13 38.86 . . 1 . . . . 516 ILE CB . 16471 1 403 . 1 1 116 116 ILE N N 15 121.574 . . 1 . . . . 516 ILE N . 16471 1 404 . 1 1 117 117 THR H H 1 9.1 . . 1 . . . . 517 THR H . 16471 1 405 . 1 1 117 117 THR CA C 13 60.83 . . 1 . . . . 517 THR CA . 16471 1 406 . 1 1 117 117 THR CB C 13 72.42 . . 1 . . . . 517 THR CB . 16471 1 407 . 1 1 117 117 THR N N 15 115.082 . . 1 . . . . 517 THR N . 16471 1 408 . 1 1 118 118 TRP H H 1 9.524 . . 1 . . . . 518 TRP H . 16471 1 409 . 1 1 118 118 TRP CA C 13 63.57 . . 1 . . . . 518 TRP CA . 16471 1 410 . 1 1 118 118 TRP CB C 13 29.73 . . 1 . . . . 518 TRP CB . 16471 1 411 . 1 1 118 118 TRP N N 15 120.669 . . 1 . . . . 518 TRP N . 16471 1 412 . 1 1 119 119 ASN H H 1 8.518 . . 1 . . . . 519 ASN H . 16471 1 413 . 1 1 119 119 ASN CA C 13 57.18 . . 1 . . . . 519 ASN CA . 16471 1 414 . 1 1 119 119 ASN CB C 13 38.51 . . 1 . . . . 519 ASN CB . 16471 1 415 . 1 1 119 119 ASN N N 15 114.514 . . 1 . . . . 519 ASN N . 16471 1 416 . 1 1 120 120 ASP H H 1 7.766 . . 1 . . . . 520 ASP H . 16471 1 417 . 1 1 120 120 ASP CA C 13 57.32 . . 1 . . . . 520 ASP CA . 16471 1 418 . 1 1 120 120 ASP CB C 13 41.01 . . 1 . . . . 520 ASP CB . 16471 1 419 . 1 1 120 120 ASP N N 15 120.778 . . 1 . . . . 520 ASP N . 16471 1 420 . 1 1 121 121 ILE H H 1 8.069 . . 1 . . . . 521 ILE H . 16471 1 421 . 1 1 121 121 ILE CA C 13 65.89 . . 1 . . . . 521 ILE CA . 16471 1 422 . 1 1 121 121 ILE CB C 13 37.45 . . 1 . . . . 521 ILE CB . 16471 1 423 . 1 1 121 121 ILE N N 15 120.92 . . 1 . . . . 521 ILE N . 16471 1 424 . 1 1 122 122 GLN H H 1 8.22 . . 1 . . . . 522 GLN H . 16471 1 425 . 1 1 122 122 GLN CA C 13 58.24 . . 1 . . . . 522 GLN CA . 16471 1 426 . 1 1 122 122 GLN CB C 13 27.69 . . 1 . . . . 522 GLN CB . 16471 1 427 . 1 1 122 122 GLN N N 15 119.62 . . 1 . . . . 522 GLN N . 16471 1 428 . 1 1 123 123 ALA H H 1 8.001 . . 1 . . . . 523 ALA H . 16471 1 429 . 1 1 123 123 ALA CA C 13 55.22 . . 1 . . . . 523 ALA CA . 16471 1 430 . 1 1 123 123 ALA CB C 13 17.94 . . 1 . . . . 523 ALA CB . 16471 1 431 . 1 1 123 123 ALA N N 15 119.536 . . 1 . . . . 523 ALA N . 16471 1 432 . 1 1 124 124 CYS H H 1 7.748 . . 1 . . . . 524 CYS H . 16471 1 433 . 1 1 124 124 CYS CA C 13 62.66 . . 1 . . . . 524 CYS CA . 16471 1 434 . 1 1 124 124 CYS CB C 13 26.64 . . 1 . . . . 524 CYS CB . 16471 1 435 . 1 1 124 124 CYS N N 15 120.279 . . 1 . . . . 524 CYS N . 16471 1 436 . 1 1 125 125 VAL H H 1 8 . . 1 . . . . 525 VAL H . 16471 1 437 . 1 1 125 125 VAL CA C 13 66.09 . . 1 . . . . 525 VAL CA . 16471 1 438 . 1 1 125 125 VAL CB C 13 32.05 . . 1 . . . . 525 VAL CB . 16471 1 439 . 1 1 125 125 VAL N N 15 120.912 . . 1 . . . . 525 VAL N . 16471 1 440 . 1 1 126 126 ASP H H 1 8.37 . . 1 . . . . 526 ASP H . 16471 1 441 . 1 1 126 126 ASP CA C 13 57.25 . . 1 . . . . 526 ASP CA . 16471 1 442 . 1 1 126 126 ASP CB C 13 40.05 . . 1 . . . . 526 ASP CB . 16471 1 443 . 1 1 126 126 ASP N N 15 118.186 . . 1 . . . . 526 ASP N . 16471 1 444 . 1 1 128 128 VAL H H 1 8.595 . . 1 . . . . 528 VAL H . 16471 1 445 . 1 1 128 128 VAL CA C 13 66.33 . . 1 . . . . 528 VAL CA . 16471 1 446 . 1 1 128 128 VAL CB C 13 31.49 . . 1 . . . . 528 VAL CB . 16471 1 447 . 1 1 128 128 VAL N N 15 120.613 . . 1 . . . . 528 VAL N . 16471 1 448 . 1 1 129 129 ASN H H 1 8.407 . . 1 . . . . 529 ASN H . 16471 1 449 . 1 1 129 129 ASN CA C 13 54.37 . . 1 . . . . 529 ASN CA . 16471 1 450 . 1 1 129 129 ASN CB C 13 37.46 . . 1 . . . . 529 ASN CB . 16471 1 451 . 1 1 129 129 ASN N N 15 115.71 . . 1 . . . . 529 ASN N . 16471 1 452 . 1 1 130 130 LEU H H 1 7.48 . . 1 . . . . 530 LEU H . 16471 1 453 . 1 1 130 130 LEU CA C 13 56.55 . . 1 . . . . 530 LEU CA . 16471 1 454 . 1 1 130 130 LEU CB C 13 43 . . 1 . . . . 530 LEU CB . 16471 1 455 . 1 1 130 130 LEU N N 15 119.325 . . 1 . . . . 530 LEU N . 16471 1 456 . 1 1 131 131 VAL H H 1 7.763 . . 1 . . . . 531 VAL H . 16471 1 457 . 1 1 131 131 VAL CA C 13 63.08 . . 1 . . . . 531 VAL CA . 16471 1 458 . 1 1 131 131 VAL CB C 13 32.19 . . 1 . . . . 531 VAL CB . 16471 1 459 . 1 1 131 131 VAL N N 15 119.021 . . 1 . . . . 531 VAL N . 16471 1 460 . 1 1 132 132 VAL H H 1 7.905 . . 1 . . . . 532 VAL H . 16471 1 461 . 1 1 132 132 VAL CA C 13 62.66 . . 1 . . . . 532 VAL CA . 16471 1 462 . 1 1 132 132 VAL CB C 13 32.33 . . 1 . . . . 532 VAL CB . 16471 1 463 . 1 1 132 132 VAL N N 15 122.729 . . 1 . . . . 532 VAL N . 16471 1 464 . 1 1 133 133 HIS H H 1 7.794 . . 1 . . . . 533 HIS H . 16471 1 465 . 1 1 133 133 HIS CA C 13 57.39 . . 1 . . . . 533 HIS CA . 16471 1 466 . 1 1 133 133 HIS CB C 13 30.93 . . 1 . . . . 533 HIS CB . 16471 1 467 . 1 1 133 133 HIS N N 15 127.983 . . 1 . . . . 533 HIS N . 16471 1 stop_ save_