data_50770 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50770 _Entry.Title ; 1H and 15N chemical-shift assignments of the backbone amide groups of the RecA_C domain of Bombyx Mori Vasa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-17 _Entry.Accession_date 2021-02-17 _Entry.Last_release_date 2021-02-17 _Entry.Original_release_date 2021-02-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Luca Codutti . . . 0000-0003-0270-5541 50770 2 Leo Nesme . . . . 50770 3 John Kirkpatrick . P. . 0000-0002-9761-3377 50770 4 Teresa Carlomagno . . . 0000-0002-2437-2760 50770 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Carlomagno Group, Biomolekulares Wirkstoffzentrum' . 50770 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50770 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 113 50770 '1H chemical shifts' 113 50770 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-10-15 . original BMRB . 50770 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50768 'assignments of the isoleucine, leucine and valine methyl groups of Bombyx Mori Vasa' 50770 BMRB 50769 'assignments of the backbone amide groups of the RecA_N domain of Bombyx Mori Vasa' 50770 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50770 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1016/j.bpj.2024.10.001 _Citation.Full_citation . _Citation.Title ; Long-range conformational changes in the nucleotide-bound states of the DEAD-box helicase Vasa ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical Journal' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Luca Codutti . . . . 50770 1 2 John Kirkpatrick . P. . . 50770 1 3 Suzanne 'zur Lage' . . . . 50770 1 4 Teresa Carlomagno . . . . 50770 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DEAD-box helicase' 50770 1 Vasa 50770 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50770 _Assembly.ID 1 _Assembly.Name RecA_C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RecA_C 1 $entity_1 . . yes native yes no . . . 50770 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 4d25 . . X-ray 1.9 . . 50770 1 yes PDB 4d26 . . X-ray 2.1 . . 50770 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Helicase 50770 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50770 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMASTDVEQIFIEVTKYEK RNSLKQLIEENDGKRILVFV ETKRNADFIAAMLSEQQLLT SSIHGDRMQREREEALQNFK SGKHCILVATAVAARGLDIK NVDIVVNYDLPKSIDEYVHR IGRTGRVGNRGKAVSFYDSD QDLALVADLSKILRQADQSV PDFLKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '399, G' _Entity.Polymer_author_seq_details ; The first residue of the native Vasa sequence is residue 5 in the sequence above, which corresponds to residue 403 in the native Vasa sequence; hence residue 1 of the sequence above should be numbered as residue 399 (i.e. the first 3 residues are cloning artifacts). ; _Entity.Ambiguous_conformational_states yes _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 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 NCBI NP_001037347.1 . 'vasa-like [Bombyx mori]' . . . . . . . . . . . . . . 50770 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Helicase 50770 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 1 399 GLY . 50770 1 2 400 ALA . 50770 1 3 401 MET . 50770 1 4 402 ALA . 50770 1 5 403 SER . 50770 1 6 404 THR . 50770 1 7 405 ASP . 50770 1 8 406 VAL . 50770 1 9 407 GLU . 50770 1 10 408 GLN . 50770 1 11 409 ILE . 50770 1 12 410 PHE . 50770 1 13 411 ILE . 50770 1 14 412 GLU . 50770 1 15 413 VAL . 50770 1 16 414 THR . 50770 1 17 415 LYS . 50770 1 18 416 TYR . 50770 1 19 417 GLU . 50770 1 20 418 LYS . 50770 1 21 419 ARG . 50770 1 22 420 ASN . 50770 1 23 421 SER . 50770 1 24 422 LEU . 50770 1 25 423 LYS . 50770 1 26 424 GLN . 50770 1 27 425 LEU . 50770 1 28 426 ILE . 50770 1 29 427 GLU . 50770 1 30 428 GLU . 50770 1 31 429 ASN . 50770 1 32 430 ASP . 50770 1 33 431 GLY . 50770 1 34 432 LYS . 50770 1 35 433 ARG . 50770 1 36 434 ILE . 50770 1 37 435 LEU . 50770 1 38 436 VAL . 50770 1 39 437 PHE . 50770 1 40 438 VAL . 50770 1 41 439 GLU . 50770 1 42 440 THR . 50770 1 43 441 LYS . 50770 1 44 442 ARG . 50770 1 45 443 ASN . 50770 1 46 444 ALA . 50770 1 47 445 ASP . 50770 1 48 446 PHE . 50770 1 49 447 ILE . 50770 1 50 448 ALA . 50770 1 51 449 ALA . 50770 1 52 450 MET . 50770 1 53 451 LEU . 50770 1 54 452 SER . 50770 1 55 453 GLU . 50770 1 56 454 GLN . 50770 1 57 455 GLN . 50770 1 58 456 LEU . 50770 1 59 457 LEU . 50770 1 60 458 THR . 50770 1 61 459 SER . 50770 1 62 460 SER . 50770 1 63 461 ILE . 50770 1 64 462 HIS . 50770 1 65 463 GLY . 50770 1 66 464 ASP . 50770 1 67 465 ARG . 50770 1 68 466 MET . 50770 1 69 467 GLN . 50770 1 70 468 ARG . 50770 1 71 469 GLU . 50770 1 72 470 ARG . 50770 1 73 471 GLU . 50770 1 74 472 GLU . 50770 1 75 473 ALA . 50770 1 76 474 LEU . 50770 1 77 475 GLN . 50770 1 78 476 ASN . 50770 1 79 477 PHE . 50770 1 80 478 LYS . 50770 1 81 479 SER . 50770 1 82 480 GLY . 50770 1 83 481 LYS . 50770 1 84 482 HIS . 50770 1 85 483 CYS . 50770 1 86 484 ILE . 50770 1 87 485 LEU . 50770 1 88 486 VAL . 50770 1 89 487 ALA . 50770 1 90 488 THR . 50770 1 91 489 ALA . 50770 1 92 490 VAL . 50770 1 93 491 ALA . 50770 1 94 492 ALA . 50770 1 95 493 ARG . 50770 1 96 494 GLY . 50770 1 97 495 LEU . 50770 1 98 496 ASP . 50770 1 99 497 ILE . 50770 1 100 498 LYS . 50770 1 101 499 ASN . 50770 1 102 500 VAL . 50770 1 103 501 ASP . 50770 1 104 502 ILE . 50770 1 105 503 VAL . 50770 1 106 504 VAL . 50770 1 107 505 ASN . 50770 1 108 506 TYR . 50770 1 109 507 ASP . 50770 1 110 508 LEU . 50770 1 111 509 PRO . 50770 1 112 510 LYS . 50770 1 113 511 SER . 50770 1 114 512 ILE . 50770 1 115 513 ASP . 50770 1 116 514 GLU . 50770 1 117 515 TYR . 50770 1 118 516 VAL . 50770 1 119 517 HIS . 50770 1 120 518 ARG . 50770 1 121 519 ILE . 50770 1 122 520 GLY . 50770 1 123 521 ARG . 50770 1 124 522 THR . 50770 1 125 523 GLY . 50770 1 126 524 ARG . 50770 1 127 525 VAL . 50770 1 128 526 GLY . 50770 1 129 527 ASN . 50770 1 130 528 ARG . 50770 1 131 529 GLY . 50770 1 132 530 LYS . 50770 1 133 531 ALA . 50770 1 134 532 VAL . 50770 1 135 533 SER . 50770 1 136 534 PHE . 50770 1 137 535 TYR . 50770 1 138 536 ASP . 50770 1 139 537 SER . 50770 1 140 538 ASP . 50770 1 141 539 GLN . 50770 1 142 540 ASP . 50770 1 143 541 LEU . 50770 1 144 542 ALA . 50770 1 145 543 LEU . 50770 1 146 544 VAL . 50770 1 147 545 ALA . 50770 1 148 546 ASP . 50770 1 149 547 LEU . 50770 1 150 548 SER . 50770 1 151 549 LYS . 50770 1 152 550 ILE . 50770 1 153 551 LEU . 50770 1 154 552 ARG . 50770 1 155 553 GLN . 50770 1 156 554 ALA . 50770 1 157 555 ASP . 50770 1 158 556 GLN . 50770 1 159 557 SER . 50770 1 160 558 VAL . 50770 1 161 559 PRO . 50770 1 162 560 ASP . 50770 1 163 561 PHE . 50770 1 164 562 LEU . 50770 1 165 563 LYS . 50770 1 166 564 GLY . 50770 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 50770 1 . ALA 2 2 50770 1 . MET 3 3 50770 1 . ALA 4 4 50770 1 . SER 5 5 50770 1 . THR 6 6 50770 1 . ASP 7 7 50770 1 . VAL 8 8 50770 1 . GLU 9 9 50770 1 . GLN 10 10 50770 1 . ILE 11 11 50770 1 . PHE 12 12 50770 1 . ILE 13 13 50770 1 . GLU 14 14 50770 1 . VAL 15 15 50770 1 . THR 16 16 50770 1 . LYS 17 17 50770 1 . TYR 18 18 50770 1 . GLU 19 19 50770 1 . LYS 20 20 50770 1 . ARG 21 21 50770 1 . ASN 22 22 50770 1 . SER 23 23 50770 1 . LEU 24 24 50770 1 . LYS 25 25 50770 1 . GLN 26 26 50770 1 . LEU 27 27 50770 1 . ILE 28 28 50770 1 . GLU 29 29 50770 1 . GLU 30 30 50770 1 . ASN 31 31 50770 1 . ASP 32 32 50770 1 . GLY 33 33 50770 1 . LYS 34 34 50770 1 . ARG 35 35 50770 1 . ILE 36 36 50770 1 . LEU 37 37 50770 1 . VAL 38 38 50770 1 . PHE 39 39 50770 1 . VAL 40 40 50770 1 . GLU 41 41 50770 1 . THR 42 42 50770 1 . LYS 43 43 50770 1 . ARG 44 44 50770 1 . ASN 45 45 50770 1 . ALA 46 46 50770 1 . ASP 47 47 50770 1 . PHE 48 48 50770 1 . ILE 49 49 50770 1 . ALA 50 50 50770 1 . ALA 51 51 50770 1 . MET 52 52 50770 1 . LEU 53 53 50770 1 . SER 54 54 50770 1 . GLU 55 55 50770 1 . GLN 56 56 50770 1 . GLN 57 57 50770 1 . LEU 58 58 50770 1 . LEU 59 59 50770 1 . THR 60 60 50770 1 . SER 61 61 50770 1 . SER 62 62 50770 1 . ILE 63 63 50770 1 . HIS 64 64 50770 1 . GLY 65 65 50770 1 . ASP 66 66 50770 1 . ARG 67 67 50770 1 . MET 68 68 50770 1 . GLN 69 69 50770 1 . ARG 70 70 50770 1 . GLU 71 71 50770 1 . ARG 72 72 50770 1 . GLU 73 73 50770 1 . GLU 74 74 50770 1 . ALA 75 75 50770 1 . LEU 76 76 50770 1 . GLN 77 77 50770 1 . ASN 78 78 50770 1 . PHE 79 79 50770 1 . LYS 80 80 50770 1 . SER 81 81 50770 1 . GLY 82 82 50770 1 . LYS 83 83 50770 1 . HIS 84 84 50770 1 . CYS 85 85 50770 1 . ILE 86 86 50770 1 . LEU 87 87 50770 1 . VAL 88 88 50770 1 . ALA 89 89 50770 1 . THR 90 90 50770 1 . ALA 91 91 50770 1 . VAL 92 92 50770 1 . ALA 93 93 50770 1 . ALA 94 94 50770 1 . ARG 95 95 50770 1 . GLY 96 96 50770 1 . LEU 97 97 50770 1 . ASP 98 98 50770 1 . ILE 99 99 50770 1 . LYS 100 100 50770 1 . ASN 101 101 50770 1 . VAL 102 102 50770 1 . ASP 103 103 50770 1 . ILE 104 104 50770 1 . VAL 105 105 50770 1 . VAL 106 106 50770 1 . ASN 107 107 50770 1 . TYR 108 108 50770 1 . ASP 109 109 50770 1 . LEU 110 110 50770 1 . PRO 111 111 50770 1 . LYS 112 112 50770 1 . SER 113 113 50770 1 . ILE 114 114 50770 1 . ASP 115 115 50770 1 . GLU 116 116 50770 1 . TYR 117 117 50770 1 . VAL 118 118 50770 1 . HIS 119 119 50770 1 . ARG 120 120 50770 1 . ILE 121 121 50770 1 . GLY 122 122 50770 1 . ARG 123 123 50770 1 . THR 124 124 50770 1 . GLY 125 125 50770 1 . ARG 126 126 50770 1 . VAL 127 127 50770 1 . GLY 128 128 50770 1 . ASN 129 129 50770 1 . ARG 130 130 50770 1 . GLY 131 131 50770 1 . LYS 132 132 50770 1 . ALA 133 133 50770 1 . VAL 134 134 50770 1 . SER 135 135 50770 1 . PHE 136 136 50770 1 . TYR 137 137 50770 1 . ASP 138 138 50770 1 . SER 139 139 50770 1 . ASP 140 140 50770 1 . GLN 141 141 50770 1 . ASP 142 142 50770 1 . LEU 143 143 50770 1 . ALA 144 144 50770 1 . LEU 145 145 50770 1 . VAL 146 146 50770 1 . ALA 147 147 50770 1 . ASP 148 148 50770 1 . LEU 149 149 50770 1 . SER 150 150 50770 1 . LYS 151 151 50770 1 . ILE 152 152 50770 1 . LEU 153 153 50770 1 . ARG 154 154 50770 1 . GLN 155 155 50770 1 . ALA 156 156 50770 1 . ASP 157 157 50770 1 . GLN 158 158 50770 1 . SER 159 159 50770 1 . VAL 160 160 50770 1 . PRO 161 161 50770 1 . ASP 162 162 50770 1 . PHE 163 163 50770 1 . LEU 164 164 50770 1 . LYS 165 165 50770 1 . GLY 166 166 50770 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50770 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7091 organism . 'Bombyx mori' 'domestic silkworm' . . Eukaryota Metazoa Bombyx mori . . . . . . . . . . . BmVLG . 50770 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50770 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 RIL . plasmid . . pETM11 . . . 50770 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50770 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RecA_C '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM 0.05 . . . 50770 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50770 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50770 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 50770 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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 pH 6.5 0.1 pH 50770 1 temperature 295 1 K 50770 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50770 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50770 1 processing . 50770 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50770 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50770 2 'peak picking' . 50770 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50770 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50770 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50770 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50770 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.802 internal direct 1 . . . . . 50770 1 N 15 water protons . . . . ppm 4.802 internal indirect 0.101329118 . . . . . 50770 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50770 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50770 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50770 1 2 $software_2 . . 50770 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.502 0.000 . 1 . . . . . 401 MET H . 50770 1 2 . 1 . 1 3 3 MET N N 15 119.875 0.000 . 1 . . . . . 401 MET N . 50770 1 3 . 1 . 1 4 4 ALA H H 1 8.458 0.000 . 1 . . . . . 402 ALA H . 50770 1 4 . 1 . 1 4 4 ALA N N 15 125.628 0.000 . 1 . . . . . 402 ALA N . 50770 1 5 . 1 . 1 5 5 SER H H 1 8.407 0.000 . 1 . . . . . 403 SER H . 50770 1 6 . 1 . 1 5 5 SER N N 15 115.240 0.000 . 1 . . . . . 403 SER N . 50770 1 7 . 1 . 1 6 6 THR H H 1 8.092 0.000 . 1 . . . . . 404 THR H . 50770 1 8 . 1 . 1 6 6 THR N N 15 113.825 0.000 . 1 . . . . . 404 THR N . 50770 1 9 . 1 . 1 7 7 ASP H H 1 8.347 0.000 . 1 . . . . . 405 ASP H . 50770 1 10 . 1 . 1 7 7 ASP N N 15 122.743 0.000 . 1 . . . . . 405 ASP N . 50770 1 11 . 1 . 1 8 8 VAL H H 1 7.855 0.000 . 1 . . . . . 406 VAL H . 50770 1 12 . 1 . 1 8 8 VAL N N 15 121.077 0.000 . 1 . . . . . 406 VAL N . 50770 1 13 . 1 . 1 9 9 GLU H H 1 8.087 0.000 . 1 . . . . . 407 GLU H . 50770 1 14 . 1 . 1 9 9 GLU N N 15 130.340 0.000 . 1 . . . . . 407 GLU N . 50770 1 15 . 1 . 1 10 10 GLN H H 1 8.975 0.000 . 1 . . . . . 408 GLN H . 50770 1 16 . 1 . 1 10 10 GLN N N 15 128.493 0.000 . 1 . . . . . 408 GLN N . 50770 1 17 . 1 . 1 12 12 PHE H H 1 9.397 0.000 . 1 . . . . . 410 PHE H . 50770 1 18 . 1 . 1 12 12 PHE N N 15 126.552 0.000 . 1 . . . . . 410 PHE N . 50770 1 19 . 1 . 1 13 13 ILE H H 1 8.949 0.000 . 1 . . . . . 411 ILE H . 50770 1 20 . 1 . 1 13 13 ILE N N 15 121.418 0.000 . 1 . . . . . 411 ILE N . 50770 1 21 . 1 . 1 14 14 GLU H H 1 8.577 0.000 . 1 . . . . . 412 GLU H . 50770 1 22 . 1 . 1 14 14 GLU N N 15 129.476 0.000 . 1 . . . . . 412 GLU N . 50770 1 23 . 1 . 1 15 15 VAL H H 1 8.362 0.000 . 1 . . . . . 413 VAL H . 50770 1 24 . 1 . 1 15 15 VAL N N 15 124.133 0.000 . 1 . . . . . 413 VAL N . 50770 1 25 . 1 . 1 16 16 THR H H 1 7.663 0.000 . 1 . . . . . 414 THR H . 50770 1 26 . 1 . 1 16 16 THR N N 15 110.671 0.000 . 1 . . . . . 414 THR N . 50770 1 27 . 1 . 1 17 17 LYS H H 1 8.405 0.000 . 1 . . . . . 415 LYS H . 50770 1 28 . 1 . 1 17 17 LYS N N 15 119.585 0.000 . 1 . . . . . 415 LYS N . 50770 1 29 . 1 . 1 18 18 TYR H H 1 7.802 0.000 . 1 . . . . . 416 TYR H . 50770 1 30 . 1 . 1 18 18 TYR N N 15 116.486 0.000 . 1 . . . . . 416 TYR N . 50770 1 31 . 1 . 1 19 19 GLU H H 1 7.595 0.000 . 1 . . . . . 417 GLU H . 50770 1 32 . 1 . 1 19 19 GLU N N 15 118.662 0.000 . 1 . . . . . 417 GLU N . 50770 1 33 . 1 . 1 24 24 LEU H H 1 8.665 0.000 . 1 . . . . . 422 LEU H . 50770 1 34 . 1 . 1 24 24 LEU N N 15 122.891 0.000 . 1 . . . . . 422 LEU N . 50770 1 35 . 1 . 1 25 25 LYS H H 1 8.024 0.000 . 1 . . . . . 423 LYS H . 50770 1 36 . 1 . 1 25 25 LYS N N 15 119.738 0.000 . 1 . . . . . 423 LYS N . 50770 1 37 . 1 . 1 26 26 GLN H H 1 7.844 0.000 . 1 . . . . . 424 GLN H . 50770 1 38 . 1 . 1 26 26 GLN N N 15 116.736 0.000 . 1 . . . . . 424 GLN N . 50770 1 39 . 1 . 1 27 27 LEU H H 1 7.665 0.000 . 1 . . . . . 425 LEU H . 50770 1 40 . 1 . 1 27 27 LEU N N 15 119.815 0.000 . 1 . . . . . 425 LEU N . 50770 1 41 . 1 . 1 28 28 ILE H H 1 8.448 0.000 . 1 . . . . . 426 ILE H . 50770 1 42 . 1 . 1 28 28 ILE N N 15 120.250 0.000 . 1 . . . . . 426 ILE N . 50770 1 43 . 1 . 1 29 29 GLU H H 1 8.199 0.000 . 1 . . . . . 427 GLU H . 50770 1 44 . 1 . 1 29 29 GLU N N 15 120.359 0.000 . 1 . . . . . 427 GLU N . 50770 1 45 . 1 . 1 30 30 GLU H H 1 7.803 0.000 . 1 . . . . . 428 GLU H . 50770 1 46 . 1 . 1 30 30 GLU N N 15 116.165 0.000 . 1 . . . . . 428 GLU N . 50770 1 47 . 1 . 1 31 31 ASN H H 1 7.601 0.000 . 1 . . . . . 429 ASN H . 50770 1 48 . 1 . 1 31 31 ASN N N 15 119.794 0.000 . 1 . . . . . 429 ASN N . 50770 1 49 . 1 . 1 32 32 ASP H H 1 7.778 0.000 . 1 . . . . . 430 ASP H . 50770 1 50 . 1 . 1 32 32 ASP N N 15 120.116 0.000 . 1 . . . . . 430 ASP N . 50770 1 51 . 1 . 1 33 33 GLY H H 1 8.711 0.000 . 1 . . . . . 431 GLY H . 50770 1 52 . 1 . 1 33 33 GLY N N 15 114.207 0.000 . 1 . . . . . 431 GLY N . 50770 1 53 . 1 . 1 34 34 LYS H H 1 7.536 0.000 . 1 . . . . . 432 LYS H . 50770 1 54 . 1 . 1 34 34 LYS N N 15 119.037 0.000 . 1 . . . . . 432 LYS N . 50770 1 55 . 1 . 1 35 35 ARG H H 1 9.841 0.000 . 1 . . . . . 433 ARG H . 50770 1 56 . 1 . 1 35 35 ARG N N 15 121.409 0.000 . 1 . . . . . 433 ARG N . 50770 1 57 . 1 . 1 36 36 ILE H H 1 9.059 0.000 . 1 . . . . . 434 ILE H . 50770 1 58 . 1 . 1 36 36 ILE N N 15 126.824 0.000 . 1 . . . . . 434 ILE N . 50770 1 59 . 1 . 1 37 37 LEU H H 1 8.417 0.000 . 1 . . . . . 435 LEU H . 50770 1 60 . 1 . 1 37 37 LEU N N 15 128.995 0.000 . 1 . . . . . 435 LEU N . 50770 1 61 . 1 . 1 38 38 VAL H H 1 9.207 0.000 . 1 . . . . . 436 VAL H . 50770 1 62 . 1 . 1 38 38 VAL N N 15 126.152 0.000 . 1 . . . . . 436 VAL N . 50770 1 63 . 1 . 1 39 39 PHE H H 1 9.178 0.000 . 1 . . . . . 437 PHE H . 50770 1 64 . 1 . 1 39 39 PHE N N 15 123.812 0.000 . 1 . . . . . 437 PHE N . 50770 1 65 . 1 . 1 43 43 LYS H H 1 8.914 0.000 . 1 . . . . . 441 LYS H . 50770 1 66 . 1 . 1 43 43 LYS N N 15 123.854 0.000 . 1 . . . . . 441 LYS N . 50770 1 67 . 1 . 1 44 44 ARG H H 1 8.255 0.000 . 1 . . . . . 442 ARG H . 50770 1 68 . 1 . 1 44 44 ARG N N 15 117.555 0.000 . 1 . . . . . 442 ARG N . 50770 1 69 . 1 . 1 45 45 ASN H H 1 7.705 0.000 . 1 . . . . . 443 ASN H . 50770 1 70 . 1 . 1 45 45 ASN N N 15 117.723 0.000 . 1 . . . . . 443 ASN N . 50770 1 71 . 1 . 1 46 46 ALA H H 1 8.101 0.000 . 1 . . . . . 444 ALA H . 50770 1 72 . 1 . 1 46 46 ALA N N 15 124.814 0.000 . 1 . . . . . 444 ALA N . 50770 1 73 . 1 . 1 75 75 ALA H H 1 7.917 0.000 . 1 . . . . . 473 ALA H . 50770 1 74 . 1 . 1 75 75 ALA N N 15 121.768 0.000 . 1 . . . . . 473 ALA N . 50770 1 75 . 1 . 1 76 76 LEU H H 1 8.178 0.000 . 1 . . . . . 474 LEU H . 50770 1 76 . 1 . 1 76 76 LEU N N 15 117.694 0.000 . 1 . . . . . 474 LEU N . 50770 1 77 . 1 . 1 77 77 GLN H H 1 8.438 0.000 . 1 . . . . . 475 GLN H . 50770 1 78 . 1 . 1 77 77 GLN N N 15 120.249 0.000 . 1 . . . . . 475 GLN N . 50770 1 79 . 1 . 1 78 78 ASN H H 1 8.624 0.000 . 1 . . . . . 476 ASN H . 50770 1 80 . 1 . 1 78 78 ASN N N 15 119.126 0.000 . 1 . . . . . 476 ASN N . 50770 1 81 . 1 . 1 79 79 PHE H H 1 8.215 0.000 . 1 . . . . . 477 PHE H . 50770 1 82 . 1 . 1 79 79 PHE N N 15 118.464 0.000 . 1 . . . . . 477 PHE N . 50770 1 83 . 1 . 1 80 80 LYS H H 1 9.007 0.000 . 1 . . . . . 478 LYS H . 50770 1 84 . 1 . 1 80 80 LYS N N 15 121.260 0.000 . 1 . . . . . 478 LYS N . 50770 1 85 . 1 . 1 81 81 SER H H 1 8.301 0.000 . 1 . . . . . 479 SER H . 50770 1 86 . 1 . 1 81 81 SER N N 15 111.225 0.000 . 1 . . . . . 479 SER N . 50770 1 87 . 1 . 1 82 82 GLY H H 1 7.444 0.000 . 1 . . . . . 480 GLY H . 50770 1 88 . 1 . 1 82 82 GLY N N 15 109.783 0.000 . 1 . . . . . 480 GLY N . 50770 1 89 . 1 . 1 83 83 LYS H H 1 7.978 0.000 . 1 . . . . . 481 LYS H . 50770 1 90 . 1 . 1 83 83 LYS N N 15 122.239 0.000 . 1 . . . . . 481 LYS N . 50770 1 91 . 1 . 1 84 84 HIS H H 1 7.665 0.000 . 1 . . . . . 482 HIS H . 50770 1 92 . 1 . 1 84 84 HIS N N 15 115.400 0.000 . 1 . . . . . 482 HIS N . 50770 1 93 . 1 . 1 85 85 CYS H H 1 9.049 0.000 . 1 . . . . . 483 CYS H . 50770 1 94 . 1 . 1 85 85 CYS N N 15 117.024 0.000 . 1 . . . . . 483 CYS N . 50770 1 95 . 1 . 1 98 98 ASP H H 1 8.305 0.000 . 1 . . . . . 496 ASP H . 50770 1 96 . 1 . 1 98 98 ASP N N 15 129.076 0.000 . 1 . . . . . 496 ASP N . 50770 1 97 . 1 . 1 99 99 ILE H H 1 8.653 0.000 . 1 . . . . . 497 ILE H . 50770 1 98 . 1 . 1 99 99 ILE N N 15 126.792 0.000 . 1 . . . . . 497 ILE N . 50770 1 99 . 1 . 1 100 100 LYS H H 1 8.550 0.000 . 1 . . . . . 498 LYS H . 50770 1 100 . 1 . 1 100 100 LYS N N 15 124.300 0.000 . 1 . . . . . 498 LYS N . 50770 1 101 . 1 . 1 101 101 ASN H H 1 8.748 0.117 . 1 . . . . . 499 ASN H . 50770 1 102 . 1 . 1 101 101 ASN N N 15 119.559 5.458 . 1 . . . . . 499 ASN N . 50770 1 103 . 1 . 1 102 102 VAL H H 1 8.572 0.000 . 1 . . . . . 500 VAL H . 50770 1 104 . 1 . 1 102 102 VAL N N 15 114.731 0.000 . 1 . . . . . 500 VAL N . 50770 1 105 . 1 . 1 103 103 ASP H H 1 8.133 0.000 . 1 . . . . . 501 ASP H . 50770 1 106 . 1 . 1 103 103 ASP N N 15 123.040 0.000 . 1 . . . . . 501 ASP N . 50770 1 107 . 1 . 1 104 104 ILE H H 1 7.759 0.000 . 1 . . . . . 502 ILE H . 50770 1 108 . 1 . 1 104 104 ILE N N 15 116.107 0.000 . 1 . . . . . 502 ILE N . 50770 1 109 . 1 . 1 105 105 VAL H H 1 8.623 0.000 . 1 . . . . . 503 VAL H . 50770 1 110 . 1 . 1 105 105 VAL N N 15 125.886 0.000 . 1 . . . . . 503 VAL N . 50770 1 111 . 1 . 1 106 106 VAL H H 1 9.500 0.000 . 1 . . . . . 504 VAL H . 50770 1 112 . 1 . 1 106 106 VAL N N 15 126.280 0.000 . 1 . . . . . 504 VAL N . 50770 1 113 . 1 . 1 107 107 ASN H H 1 9.186 0.000 . 1 . . . . . 505 ASN H . 50770 1 114 . 1 . 1 107 107 ASN N N 15 125.406 0.000 . 1 . . . . . 505 ASN N . 50770 1 115 . 1 . 1 108 108 TYR H H 1 8.216 0.000 . 1 . . . . . 506 TYR H . 50770 1 116 . 1 . 1 108 108 TYR N N 15 128.775 0.000 . 1 . . . . . 506 TYR N . 50770 1 117 . 1 . 1 109 109 ASP H H 1 7.327 0.000 . 1 . . . . . 507 ASP H . 50770 1 118 . 1 . 1 109 109 ASP N N 15 109.909 0.000 . 1 . . . . . 507 ASP N . 50770 1 119 . 1 . 1 110 110 LEU H H 1 9.344 0.000 . 1 . . . . . 508 LEU H . 50770 1 120 . 1 . 1 110 110 LEU N N 15 126.732 0.000 . 1 . . . . . 508 LEU N . 50770 1 121 . 1 . 1 112 112 LYS H H 1 8.845 0.000 . 1 . . . . . 510 LYS H . 50770 1 122 . 1 . 1 112 112 LYS N N 15 114.369 0.000 . 1 . . . . . 510 LYS N . 50770 1 123 . 1 . 1 113 113 SER H H 1 7.438 0.000 . 1 . . . . . 511 SER H . 50770 1 124 . 1 . 1 113 113 SER N N 15 110.918 0.000 . 1 . . . . . 511 SER N . 50770 1 125 . 1 . 1 114 114 ILE H H 1 9.351 0.000 . 1 . . . . . 512 ILE H . 50770 1 126 . 1 . 1 114 114 ILE N N 15 125.103 0.000 . 1 . . . . . 512 ILE N . 50770 1 127 . 1 . 1 115 115 ASP H H 1 8.409 0.000 . 1 . . . . . 513 ASP H . 50770 1 128 . 1 . 1 115 115 ASP N N 15 122.570 0.000 . 1 . . . . . 513 ASP N . 50770 1 129 . 1 . 1 116 116 GLU H H 1 7.428 0.000 . 1 . . . . . 514 GLU H . 50770 1 130 . 1 . 1 116 116 GLU N N 15 118.162 0.000 . 1 . . . . . 514 GLU N . 50770 1 131 . 1 . 1 117 117 TYR H H 1 7.395 0.000 . 1 . . . . . 515 TYR H . 50770 1 132 . 1 . 1 117 117 TYR N N 15 120.168 0.000 . 1 . . . . . 515 TYR N . 50770 1 133 . 1 . 1 118 118 VAL H H 1 8.334 0.000 . 1 . . . . . 516 VAL H . 50770 1 134 . 1 . 1 118 118 VAL N N 15 118.067 0.000 . 1 . . . . . 516 VAL N . 50770 1 135 . 1 . 1 119 119 HIS H H 1 7.876 0.000 . 1 . . . . . 517 HIS H . 50770 1 136 . 1 . 1 119 119 HIS N N 15 119.355 0.000 . 1 . . . . . 517 HIS N . 50770 1 137 . 1 . 1 120 120 ARG H H 1 8.087 0.000 . 1 . . . . . 518 ARG H . 50770 1 138 . 1 . 1 120 120 ARG N N 15 118.415 0.000 . 1 . . . . . 518 ARG N . 50770 1 139 . 1 . 1 121 121 ILE H H 1 7.761 0.000 . 1 . . . . . 519 ILE H . 50770 1 140 . 1 . 1 121 121 ILE N N 15 111.023 0.000 . 1 . . . . . 519 ILE N . 50770 1 141 . 1 . 1 122 122 GLY H H 1 7.346 0.000 . 1 . . . . . 520 GLY H . 50770 1 142 . 1 . 1 122 122 GLY N N 15 104.844 0.000 . 1 . . . . . 520 GLY N . 50770 1 143 . 1 . 1 123 123 ARG H H 1 7.525 0.000 . 1 . . . . . 521 ARG H . 50770 1 144 . 1 . 1 123 123 ARG N N 15 117.229 0.000 . 1 . . . . . 521 ARG N . 50770 1 145 . 1 . 1 124 124 THR H H 1 7.236 0.000 . 1 . . . . . 522 THR H . 50770 1 146 . 1 . 1 124 124 THR N N 15 111.345 0.000 . 1 . . . . . 522 THR N . 50770 1 147 . 1 . 1 125 125 GLY H H 1 7.855 0.000 . 1 . . . . . 523 GLY H . 50770 1 148 . 1 . 1 125 125 GLY N N 15 113.629 0.000 . 1 . . . . . 523 GLY N . 50770 1 149 . 1 . 1 126 126 ARG H H 1 8.397 0.000 . 1 . . . . . 524 ARG H . 50770 1 150 . 1 . 1 126 126 ARG N N 15 118.136 0.000 . 1 . . . . . 524 ARG N . 50770 1 151 . 1 . 1 127 127 VAL H H 1 8.178 0.000 . 1 . . . . . 525 VAL H . 50770 1 152 . 1 . 1 127 127 VAL N N 15 115.549 0.000 . 1 . . . . . 525 VAL N . 50770 1 153 . 1 . 1 128 128 GLY H H 1 8.922 0.000 . 1 . . . . . 526 GLY H . 50770 1 154 . 1 . 1 128 128 GLY N N 15 115.597 0.000 . 1 . . . . . 526 GLY N . 50770 1 155 . 1 . 1 129 129 ASN H H 1 8.186 0.000 . 1 . . . . . 527 ASN H . 50770 1 156 . 1 . 1 129 129 ASN N N 15 119.590 0.000 . 1 . . . . . 527 ASN N . 50770 1 157 . 1 . 1 130 130 ARG H H 1 8.648 0.000 . 1 . . . . . 528 ARG H . 50770 1 158 . 1 . 1 130 130 ARG N N 15 125.580 0.000 . 1 . . . . . 528 ARG N . 50770 1 159 . 1 . 1 131 131 GLY H H 1 8.755 0.000 . 1 . . . . . 529 GLY H . 50770 1 160 . 1 . 1 131 131 GLY N N 15 110.923 0.000 . 1 . . . . . 529 GLY N . 50770 1 161 . 1 . 1 132 132 LYS H H 1 8.023 0.000 . 1 . . . . . 530 LYS H . 50770 1 162 . 1 . 1 132 132 LYS N N 15 123.289 0.000 . 1 . . . . . 530 LYS N . 50770 1 163 . 1 . 1 133 133 ALA H H 1 9.199 0.000 . 1 . . . . . 531 ALA H . 50770 1 164 . 1 . 1 133 133 ALA N N 15 129.305 0.000 . 1 . . . . . 531 ALA N . 50770 1 165 . 1 . 1 135 135 SER H H 1 8.849 0.000 . 1 . . . . . 533 SER H . 50770 1 166 . 1 . 1 135 135 SER N N 15 121.061 0.000 . 1 . . . . . 533 SER N . 50770 1 167 . 1 . 1 136 136 PHE H H 1 8.222 0.000 . 1 . . . . . 534 PHE H . 50770 1 168 . 1 . 1 136 136 PHE N N 15 126.182 0.000 . 1 . . . . . 534 PHE N . 50770 1 169 . 1 . 1 137 137 TYR H H 1 9.413 0.000 . 1 . . . . . 535 TYR H . 50770 1 170 . 1 . 1 137 137 TYR N N 15 125.895 0.000 . 1 . . . . . 535 TYR N . 50770 1 171 . 1 . 1 138 138 ASP H H 1 9.056 0.000 . 1 . . . . . 536 ASP H . 50770 1 172 . 1 . 1 138 138 ASP N N 15 129.541 0.000 . 1 . . . . . 536 ASP N . 50770 1 173 . 1 . 1 139 139 SER H H 1 9.076 0.000 . 1 . . . . . 537 SER H . 50770 1 174 . 1 . 1 139 139 SER N N 15 123.354 0.000 . 1 . . . . . 537 SER N . 50770 1 175 . 1 . 1 140 140 ASP H H 1 8.061 0.000 . 1 . . . . . 538 ASP H . 50770 1 176 . 1 . 1 140 140 ASP N N 15 119.719 0.000 . 1 . . . . . 538 ASP N . 50770 1 177 . 1 . 1 141 141 GLN H H 1 7.540 0.000 . 1 . . . . . 539 GLN H . 50770 1 178 . 1 . 1 141 141 GLN N N 15 115.514 0.000 . 1 . . . . . 539 GLN N . 50770 1 179 . 1 . 1 142 142 ASP H H 1 8.431 0.000 . 1 . . . . . 540 ASP H . 50770 1 180 . 1 . 1 142 142 ASP N N 15 116.703 0.000 . 1 . . . . . 540 ASP N . 50770 1 181 . 1 . 1 143 143 LEU H H 1 7.322 0.000 . 1 . . . . . 541 LEU H . 50770 1 182 . 1 . 1 143 143 LEU N N 15 121.481 0.000 . 1 . . . . . 541 LEU N . 50770 1 183 . 1 . 1 144 144 ALA H H 1 8.758 0.000 . 1 . . . . . 542 ALA H . 50770 1 184 . 1 . 1 144 144 ALA N N 15 118.363 0.000 . 1 . . . . . 542 ALA N . 50770 1 185 . 1 . 1 145 145 LEU H H 1 8.032 0.000 . 1 . . . . . 543 LEU H . 50770 1 186 . 1 . 1 145 145 LEU N N 15 118.391 0.000 . 1 . . . . . 543 LEU N . 50770 1 187 . 1 . 1 146 146 VAL H H 1 7.606 0.000 . 1 . . . . . 544 VAL H . 50770 1 188 . 1 . 1 146 146 VAL N N 15 117.325 0.000 . 1 . . . . . 544 VAL N . 50770 1 189 . 1 . 1 147 147 ALA H H 1 8.441 0.000 . 1 . . . . . 545 ALA H . 50770 1 190 . 1 . 1 147 147 ALA N N 15 122.647 0.000 . 1 . . . . . 545 ALA N . 50770 1 191 . 1 . 1 148 148 ASP H H 1 8.215 0.000 . 1 . . . . . 546 ASP H . 50770 1 192 . 1 . 1 148 148 ASP N N 15 118.550 0.000 . 1 . . . . . 546 ASP N . 50770 1 193 . 1 . 1 149 149 LEU H H 1 8.490 0.000 . 1 . . . . . 547 LEU H . 50770 1 194 . 1 . 1 149 149 LEU N N 15 120.982 0.000 . 1 . . . . . 547 LEU N . 50770 1 195 . 1 . 1 150 150 SER H H 1 8.418 0.000 . 1 . . . . . 548 SER H . 50770 1 196 . 1 . 1 150 150 SER N N 15 113.040 0.000 . 1 . . . . . 548 SER N . 50770 1 197 . 1 . 1 151 151 LYS H H 1 7.358 0.000 . 1 . . . . . 549 LYS H . 50770 1 198 . 1 . 1 151 151 LYS N N 15 120.561 0.000 . 1 . . . . . 549 LYS N . 50770 1 199 . 1 . 1 152 152 ILE H H 1 7.719 0.000 . 1 . . . . . 550 ILE H . 50770 1 200 . 1 . 1 152 152 ILE N N 15 119.403 0.000 . 1 . . . . . 550 ILE N . 50770 1 201 . 1 . 1 153 153 LEU H H 1 8.070 0.000 . 1 . . . . . 551 LEU H . 50770 1 202 . 1 . 1 153 153 LEU N N 15 122.020 0.000 . 1 . . . . . 551 LEU N . 50770 1 203 . 1 . 1 154 154 ARG H H 1 8.177 0.000 . 1 . . . . . 552 ARG H . 50770 1 204 . 1 . 1 154 154 ARG N N 15 118.158 0.000 . 1 . . . . . 552 ARG N . 50770 1 205 . 1 . 1 155 155 GLN H H 1 8.311 0.000 . 1 . . . . . 553 GLN H . 50770 1 206 . 1 . 1 155 155 GLN N N 15 119.984 0.000 . 1 . . . . . 553 GLN N . 50770 1 207 . 1 . 1 156 156 ALA H H 1 7.552 0.000 . 1 . . . . . 554 ALA H . 50770 1 208 . 1 . 1 156 156 ALA N N 15 120.726 0.000 . 1 . . . . . 554 ALA N . 50770 1 209 . 1 . 1 157 157 ASP H H 1 8.087 0.000 . 1 . . . . . 555 ASP H . 50770 1 210 . 1 . 1 157 157 ASP N N 15 117.714 0.000 . 1 . . . . . 555 ASP N . 50770 1 211 . 1 . 1 158 158 GLN H H 1 8.139 0.000 . 1 . . . . . 556 GLN H . 50770 1 212 . 1 . 1 158 158 GLN N N 15 116.432 0.000 . 1 . . . . . 556 GLN N . 50770 1 213 . 1 . 1 159 159 SER H H 1 8.512 0.000 . 1 . . . . . 557 SER H . 50770 1 214 . 1 . 1 159 159 SER N N 15 116.207 0.000 . 1 . . . . . 557 SER N . 50770 1 215 . 1 . 1 160 160 VAL H H 1 8.341 0.000 . 1 . . . . . 558 VAL H . 50770 1 216 . 1 . 1 160 160 VAL N N 15 124.978 0.000 . 1 . . . . . 558 VAL N . 50770 1 217 . 1 . 1 162 162 ASP H H 1 8.699 0.000 . 1 . . . . . 560 ASP H . 50770 1 218 . 1 . 1 162 162 ASP N N 15 121.108 0.000 . 1 . . . . . 560 ASP N . 50770 1 219 . 1 . 1 163 163 PHE H H 1 6.794 0.000 . 1 . . . . . 561 PHE H . 50770 1 220 . 1 . 1 163 163 PHE N N 15 111.223 0.000 . 1 . . . . . 561 PHE N . 50770 1 221 . 1 . 1 164 164 LEU H H 1 7.123 0.000 . 1 . . . . . 562 LEU H . 50770 1 222 . 1 . 1 164 164 LEU N N 15 121.549 0.000 . 1 . . . . . 562 LEU N . 50770 1 223 . 1 . 1 165 165 LYS H H 1 7.132 0.000 . 1 . . . . . 563 LYS H . 50770 1 224 . 1 . 1 165 165 LYS N N 15 118.757 0.000 . 1 . . . . . 563 LYS N . 50770 1 225 . 1 . 1 166 166 GLY H H 1 7.819 0.000 . 1 . . . . . 564 GLY H . 50770 1 226 . 1 . 1 166 166 GLY N N 15 115.349 0.000 . 1 . . . . . 564 GLY N . 50770 1 stop_ save_