data_53748 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53748 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with CheA-P3P4P5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-04-30 _Entry.Accession_date 2026-04-30 _Entry.Last_release_date 2026-05-01 _Entry.Original_release_date 2026-05-01 _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 Katherine Lu-Diaz . W. . . 53748 2 Jian Huang . . . . 53748 3 Jianhan Chen . . . . 53748 4 Jasna Fejzo . . . . 53748 5 Lynmarie Thompson . K. . . 53748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 106 53748 '1H chemical shifts' 106 53748 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-09-02 . original BMRB . 53748 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53742 ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with Kinase-OFF chemotaxis signaling complexes and AMPPCP ; 53748 BMRB 53743 ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with Kinase-OFF chemotaxis signaling complexes ; 53748 BMRB 53744 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with 7.5% PEG and 420uM ZnCl2' 53748 BMRB 53745 ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with Kinase-ON chemotaxis signaling complexes (2%PEG, 420uM ZnCl2) and AMPPCP ; 53748 BMRB 53746 ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with Kinase-ON chemotaxis signaling complexes (2%PEG, 420uM ZnCl2) ; 53748 BMRB 53747 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with 2% PEG and 420uM ZnCl2' 53748 BMRB 53749 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli' 53748 BMRB 53750 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with AMPPCP' 53748 BMRB 53751 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with ATP' 53748 BMRB 53752 'Backbone 1H and 15N Chemical Shift Assignments for the U-15N CheA P1 domain from Escherichia coli' 53748 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53748 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42093153 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemotaxis kinase CheA is regulated by modulating interdomain interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 125 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 3261 _Citation.Page_last 3276 _Citation.Year 2026 _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 Katherine Lu-Diaz . W. . . 53748 1 2 Jian Huang . . . . 53748 1 3 Jianhan Chen . . . . 53748 1 4 Jasna Fejzo . . . . 53748 1 5 Lynmarie Thompson . . . . 53748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53748 _Assembly.ID 1 _Assembly.Name 'CheA P1 + CheA P3P4P5' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 yes _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 'CheA P1' 1 $entity_1 . . yes native no yes . . . 53748 1 2 'CheA P3P4P5' 2 $entity_2 . . no native no yes . . . 53748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53748 _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 ; MSMDISDFYQTFFDEADELL ADMEQHLLVLQPEAPDAEQL NAIFRAAHSIKGGAGTFGFS VLQETTHLMENLLDEARRGE MQLNTDIINLFLETKDIMQE QLDAYKQSQEPDAASFDYIC QALRQLALEAKGET ; _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 134 _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 15200 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53748 1 2 . SER . 53748 1 3 . MET . 53748 1 4 . ASP . 53748 1 5 . ILE . 53748 1 6 . SER . 53748 1 7 . ASP . 53748 1 8 . PHE . 53748 1 9 . TYR . 53748 1 10 . GLN . 53748 1 11 . THR . 53748 1 12 . PHE . 53748 1 13 . PHE . 53748 1 14 . ASP . 53748 1 15 . GLU . 53748 1 16 . ALA . 53748 1 17 . ASP . 53748 1 18 . GLU . 53748 1 19 . LEU . 53748 1 20 . LEU . 53748 1 21 . ALA . 53748 1 22 . ASP . 53748 1 23 . MET . 53748 1 24 . GLU . 53748 1 25 . GLN . 53748 1 26 . HIS . 53748 1 27 . LEU . 53748 1 28 . LEU . 53748 1 29 . VAL . 53748 1 30 . LEU . 53748 1 31 . GLN . 53748 1 32 . PRO . 53748 1 33 . GLU . 53748 1 34 . ALA . 53748 1 35 . PRO . 53748 1 36 . ASP . 53748 1 37 . ALA . 53748 1 38 . GLU . 53748 1 39 . GLN . 53748 1 40 . LEU . 53748 1 41 . ASN . 53748 1 42 . ALA . 53748 1 43 . ILE . 53748 1 44 . PHE . 53748 1 45 . ARG . 53748 1 46 . ALA . 53748 1 47 . ALA . 53748 1 48 . HIS . 53748 1 49 . SER . 53748 1 50 . ILE . 53748 1 51 . LYS . 53748 1 52 . GLY . 53748 1 53 . GLY . 53748 1 54 . ALA . 53748 1 55 . GLY . 53748 1 56 . THR . 53748 1 57 . PHE . 53748 1 58 . GLY . 53748 1 59 . PHE . 53748 1 60 . SER . 53748 1 61 . VAL . 53748 1 62 . LEU . 53748 1 63 . GLN . 53748 1 64 . GLU . 53748 1 65 . THR . 53748 1 66 . THR . 53748 1 67 . HIS . 53748 1 68 . LEU . 53748 1 69 . MET . 53748 1 70 . GLU . 53748 1 71 . ASN . 53748 1 72 . LEU . 53748 1 73 . LEU . 53748 1 74 . ASP . 53748 1 75 . GLU . 53748 1 76 . ALA . 53748 1 77 . ARG . 53748 1 78 . ARG . 53748 1 79 . GLY . 53748 1 80 . GLU . 53748 1 81 . MET . 53748 1 82 . GLN . 53748 1 83 . LEU . 53748 1 84 . ASN . 53748 1 85 . THR . 53748 1 86 . ASP . 53748 1 87 . ILE . 53748 1 88 . ILE . 53748 1 89 . ASN . 53748 1 90 . LEU . 53748 1 91 . PHE . 53748 1 92 . LEU . 53748 1 93 . GLU . 53748 1 94 . THR . 53748 1 95 . LYS . 53748 1 96 . ASP . 53748 1 97 . ILE . 53748 1 98 . MET . 53748 1 99 . GLN . 53748 1 100 . GLU . 53748 1 101 . GLN . 53748 1 102 . LEU . 53748 1 103 . ASP . 53748 1 104 . ALA . 53748 1 105 . TYR . 53748 1 106 . LYS . 53748 1 107 . GLN . 53748 1 108 . SER . 53748 1 109 . GLN . 53748 1 110 . GLU . 53748 1 111 . PRO . 53748 1 112 . ASP . 53748 1 113 . ALA . 53748 1 114 . ALA . 53748 1 115 . SER . 53748 1 116 . PHE . 53748 1 117 . ASP . 53748 1 118 . TYR . 53748 1 119 . ILE . 53748 1 120 . CYS . 53748 1 121 . GLN . 53748 1 122 . ALA . 53748 1 123 . LEU . 53748 1 124 . ARG . 53748 1 125 . GLN . 53748 1 126 . LEU . 53748 1 127 . ALA . 53748 1 128 . LEU . 53748 1 129 . GLU . 53748 1 130 . ALA . 53748 1 131 . LYS . 53748 1 132 . GLY . 53748 1 133 . GLU . 53748 1 134 . THR . 53748 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53748 1 . SER 2 2 53748 1 . MET 3 3 53748 1 . ASP 4 4 53748 1 . ILE 5 5 53748 1 . SER 6 6 53748 1 . ASP 7 7 53748 1 . PHE 8 8 53748 1 . TYR 9 9 53748 1 . GLN 10 10 53748 1 . THR 11 11 53748 1 . PHE 12 12 53748 1 . PHE 13 13 53748 1 . ASP 14 14 53748 1 . GLU 15 15 53748 1 . ALA 16 16 53748 1 . ASP 17 17 53748 1 . GLU 18 18 53748 1 . LEU 19 19 53748 1 . LEU 20 20 53748 1 . ALA 21 21 53748 1 . ASP 22 22 53748 1 . MET 23 23 53748 1 . GLU 24 24 53748 1 . GLN 25 25 53748 1 . HIS 26 26 53748 1 . LEU 27 27 53748 1 . LEU 28 28 53748 1 . VAL 29 29 53748 1 . LEU 30 30 53748 1 . GLN 31 31 53748 1 . PRO 32 32 53748 1 . GLU 33 33 53748 1 . ALA 34 34 53748 1 . PRO 35 35 53748 1 . ASP 36 36 53748 1 . ALA 37 37 53748 1 . GLU 38 38 53748 1 . GLN 39 39 53748 1 . LEU 40 40 53748 1 . ASN 41 41 53748 1 . ALA 42 42 53748 1 . ILE 43 43 53748 1 . PHE 44 44 53748 1 . ARG 45 45 53748 1 . ALA 46 46 53748 1 . ALA 47 47 53748 1 . HIS 48 48 53748 1 . SER 49 49 53748 1 . ILE 50 50 53748 1 . LYS 51 51 53748 1 . GLY 52 52 53748 1 . GLY 53 53 53748 1 . ALA 54 54 53748 1 . GLY 55 55 53748 1 . THR 56 56 53748 1 . PHE 57 57 53748 1 . GLY 58 58 53748 1 . PHE 59 59 53748 1 . SER 60 60 53748 1 . VAL 61 61 53748 1 . LEU 62 62 53748 1 . GLN 63 63 53748 1 . GLU 64 64 53748 1 . THR 65 65 53748 1 . THR 66 66 53748 1 . HIS 67 67 53748 1 . LEU 68 68 53748 1 . MET 69 69 53748 1 . GLU 70 70 53748 1 . ASN 71 71 53748 1 . LEU 72 72 53748 1 . LEU 73 73 53748 1 . ASP 74 74 53748 1 . GLU 75 75 53748 1 . ALA 76 76 53748 1 . ARG 77 77 53748 1 . ARG 78 78 53748 1 . GLY 79 79 53748 1 . GLU 80 80 53748 1 . MET 81 81 53748 1 . GLN 82 82 53748 1 . LEU 83 83 53748 1 . ASN 84 84 53748 1 . THR 85 85 53748 1 . ASP 86 86 53748 1 . ILE 87 87 53748 1 . ILE 88 88 53748 1 . ASN 89 89 53748 1 . LEU 90 90 53748 1 . PHE 91 91 53748 1 . LEU 92 92 53748 1 . GLU 93 93 53748 1 . THR 94 94 53748 1 . LYS 95 95 53748 1 . ASP 96 96 53748 1 . ILE 97 97 53748 1 . MET 98 98 53748 1 . GLN 99 99 53748 1 . GLU 100 100 53748 1 . GLN 101 101 53748 1 . LEU 102 102 53748 1 . ASP 103 103 53748 1 . ALA 104 104 53748 1 . TYR 105 105 53748 1 . LYS 106 106 53748 1 . GLN 107 107 53748 1 . SER 108 108 53748 1 . GLN 109 109 53748 1 . GLU 110 110 53748 1 . PRO 111 111 53748 1 . ASP 112 112 53748 1 . ALA 113 113 53748 1 . ALA 114 114 53748 1 . SER 115 115 53748 1 . PHE 116 116 53748 1 . ASP 117 117 53748 1 . TYR 118 118 53748 1 . ILE 119 119 53748 1 . CYS 120 120 53748 1 . GLN 121 121 53748 1 . ALA 122 122 53748 1 . LEU 123 123 53748 1 . ARG 124 124 53748 1 . GLN 125 125 53748 1 . LEU 126 126 53748 1 . ALA 127 127 53748 1 . LEU 128 128 53748 1 . GLU 129 129 53748 1 . ALA 130 130 53748 1 . LYS 131 131 53748 1 . GLY 132 132 53748 1 . GLU 133 133 53748 1 . THR 134 134 53748 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53748 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ESTSIRVAVEKVDQLINLVG ELVITQSMLAQRSSELDPVN HGDLITSMGQLQRNARDLQE SVMSIRMMPMEYVFSRYPRL VRDLAGKLGKQVELTLVGSS TELDKSLIERIIDPLTHLVR NSLDHGIELPEKRLAAGKNS VGNLILSAEHQGGNICIEVT DDGAGLNRERILAKAASQGL TVSENMSDDEVAMLIFAPGF STAEQVTDVSGRGVGMDVVK RNIQKMGGHVEIQSKQGTGT TIRILLPLTLAILDGMSVRV ADEVFILPLNAVMESLQPRE ADLHPLAGGERVLEVRGEYL PIVELWKVFNVAGAKTEATQ GIVVILQSGGRRYALLVDQL IGQHQVVVKNLESNYRKVPG ISAATILGDGSVALIVDVSA LQAINREQRMANTAA ; _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 395 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 42800 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . 53748 2 2 . SER . 53748 2 3 . THR . 53748 2 4 . SER . 53748 2 5 . ILE . 53748 2 6 . ARG . 53748 2 7 . VAL . 53748 2 8 . ALA . 53748 2 9 . VAL . 53748 2 10 . GLU . 53748 2 11 . LYS . 53748 2 12 . VAL . 53748 2 13 . ASP . 53748 2 14 . GLN . 53748 2 15 . LEU . 53748 2 16 . ILE . 53748 2 17 . ASN . 53748 2 18 . LEU . 53748 2 19 . VAL . 53748 2 20 . GLY . 53748 2 21 . GLU . 53748 2 22 . LEU . 53748 2 23 . VAL . 53748 2 24 . ILE . 53748 2 25 . THR . 53748 2 26 . GLN . 53748 2 27 . SER . 53748 2 28 . MET . 53748 2 29 . LEU . 53748 2 30 . ALA . 53748 2 31 . GLN . 53748 2 32 . ARG . 53748 2 33 . SER . 53748 2 34 . SER . 53748 2 35 . GLU . 53748 2 36 . LEU . 53748 2 37 . ASP . 53748 2 38 . PRO . 53748 2 39 . VAL . 53748 2 40 . ASN . 53748 2 41 . HIS . 53748 2 42 . GLY . 53748 2 43 . ASP . 53748 2 44 . LEU . 53748 2 45 . ILE . 53748 2 46 . THR . 53748 2 47 . SER . 53748 2 48 . MET . 53748 2 49 . GLY . 53748 2 50 . GLN . 53748 2 51 . LEU . 53748 2 52 . GLN . 53748 2 53 . ARG . 53748 2 54 . ASN . 53748 2 55 . ALA . 53748 2 56 . ARG . 53748 2 57 . ASP . 53748 2 58 . LEU . 53748 2 59 . GLN . 53748 2 60 . GLU . 53748 2 61 . SER . 53748 2 62 . VAL . 53748 2 63 . MET . 53748 2 64 . SER . 53748 2 65 . ILE . 53748 2 66 . ARG . 53748 2 67 . MET . 53748 2 68 . MET . 53748 2 69 . PRO . 53748 2 70 . MET . 53748 2 71 . GLU . 53748 2 72 . TYR . 53748 2 73 . VAL . 53748 2 74 . PHE . 53748 2 75 . SER . 53748 2 76 . ARG . 53748 2 77 . TYR . 53748 2 78 . PRO . 53748 2 79 . ARG . 53748 2 80 . LEU . 53748 2 81 . VAL . 53748 2 82 . ARG . 53748 2 83 . ASP . 53748 2 84 . LEU . 53748 2 85 . ALA . 53748 2 86 . GLY . 53748 2 87 . LYS . 53748 2 88 . LEU . 53748 2 89 . GLY . 53748 2 90 . LYS . 53748 2 91 . GLN . 53748 2 92 . VAL . 53748 2 93 . GLU . 53748 2 94 . LEU . 53748 2 95 . THR . 53748 2 96 . LEU . 53748 2 97 . VAL . 53748 2 98 . GLY . 53748 2 99 . SER . 53748 2 100 . SER . 53748 2 101 . THR . 53748 2 102 . GLU . 53748 2 103 . LEU . 53748 2 104 . ASP . 53748 2 105 . LYS . 53748 2 106 . SER . 53748 2 107 . LEU . 53748 2 108 . ILE . 53748 2 109 . GLU . 53748 2 110 . ARG . 53748 2 111 . ILE . 53748 2 112 . ILE . 53748 2 113 . ASP . 53748 2 114 . PRO . 53748 2 115 . LEU . 53748 2 116 . THR . 53748 2 117 . HIS . 53748 2 118 . LEU . 53748 2 119 . VAL . 53748 2 120 . ARG . 53748 2 121 . ASN . 53748 2 122 . SER . 53748 2 123 . LEU . 53748 2 124 . ASP . 53748 2 125 . HIS . 53748 2 126 . GLY . 53748 2 127 . ILE . 53748 2 128 . GLU . 53748 2 129 . LEU . 53748 2 130 . PRO . 53748 2 131 . GLU . 53748 2 132 . LYS . 53748 2 133 . ARG . 53748 2 134 . LEU . 53748 2 135 . ALA . 53748 2 136 . ALA . 53748 2 137 . GLY . 53748 2 138 . LYS . 53748 2 139 . ASN . 53748 2 140 . SER . 53748 2 141 . VAL . 53748 2 142 . GLY . 53748 2 143 . ASN . 53748 2 144 . LEU . 53748 2 145 . ILE . 53748 2 146 . LEU . 53748 2 147 . SER . 53748 2 148 . ALA . 53748 2 149 . GLU . 53748 2 150 . HIS . 53748 2 151 . GLN . 53748 2 152 . GLY . 53748 2 153 . GLY . 53748 2 154 . ASN . 53748 2 155 . ILE . 53748 2 156 . CYS . 53748 2 157 . ILE . 53748 2 158 . GLU . 53748 2 159 . VAL . 53748 2 160 . THR . 53748 2 161 . ASP . 53748 2 162 . ASP . 53748 2 163 . GLY . 53748 2 164 . ALA . 53748 2 165 . GLY . 53748 2 166 . LEU . 53748 2 167 . ASN . 53748 2 168 . ARG . 53748 2 169 . GLU . 53748 2 170 . ARG . 53748 2 171 . ILE . 53748 2 172 . LEU . 53748 2 173 . ALA . 53748 2 174 . LYS . 53748 2 175 . ALA . 53748 2 176 . ALA . 53748 2 177 . SER . 53748 2 178 . GLN . 53748 2 179 . GLY . 53748 2 180 . LEU . 53748 2 181 . THR . 53748 2 182 . VAL . 53748 2 183 . SER . 53748 2 184 . GLU . 53748 2 185 . ASN . 53748 2 186 . MET . 53748 2 187 . SER . 53748 2 188 . ASP . 53748 2 189 . ASP . 53748 2 190 . GLU . 53748 2 191 . VAL . 53748 2 192 . ALA . 53748 2 193 . MET . 53748 2 194 . LEU . 53748 2 195 . ILE . 53748 2 196 . PHE . 53748 2 197 . ALA . 53748 2 198 . PRO . 53748 2 199 . GLY . 53748 2 200 . PHE . 53748 2 201 . SER . 53748 2 202 . THR . 53748 2 203 . ALA . 53748 2 204 . GLU . 53748 2 205 . GLN . 53748 2 206 . VAL . 53748 2 207 . THR . 53748 2 208 . ASP . 53748 2 209 . VAL . 53748 2 210 . SER . 53748 2 211 . GLY . 53748 2 212 . ARG . 53748 2 213 . GLY . 53748 2 214 . VAL . 53748 2 215 . GLY . 53748 2 216 . MET . 53748 2 217 . ASP . 53748 2 218 . VAL . 53748 2 219 . VAL . 53748 2 220 . LYS . 53748 2 221 . ARG . 53748 2 222 . ASN . 53748 2 223 . ILE . 53748 2 224 . GLN . 53748 2 225 . LYS . 53748 2 226 . MET . 53748 2 227 . GLY . 53748 2 228 . GLY . 53748 2 229 . HIS . 53748 2 230 . VAL . 53748 2 231 . GLU . 53748 2 232 . ILE . 53748 2 233 . GLN . 53748 2 234 . SER . 53748 2 235 . LYS . 53748 2 236 . GLN . 53748 2 237 . GLY . 53748 2 238 . THR . 53748 2 239 . GLY . 53748 2 240 . THR . 53748 2 241 . THR . 53748 2 242 . ILE . 53748 2 243 . ARG . 53748 2 244 . ILE . 53748 2 245 . LEU . 53748 2 246 . LEU . 53748 2 247 . PRO . 53748 2 248 . LEU . 53748 2 249 . THR . 53748 2 250 . LEU . 53748 2 251 . ALA . 53748 2 252 . ILE . 53748 2 253 . LEU . 53748 2 254 . ASP . 53748 2 255 . GLY . 53748 2 256 . MET . 53748 2 257 . SER . 53748 2 258 . VAL . 53748 2 259 . ARG . 53748 2 260 . VAL . 53748 2 261 . ALA . 53748 2 262 . ASP . 53748 2 263 . GLU . 53748 2 264 . VAL . 53748 2 265 . PHE . 53748 2 266 . ILE . 53748 2 267 . LEU . 53748 2 268 . PRO . 53748 2 269 . LEU . 53748 2 270 . ASN . 53748 2 271 . ALA . 53748 2 272 . VAL . 53748 2 273 . MET . 53748 2 274 . GLU . 53748 2 275 . SER . 53748 2 276 . LEU . 53748 2 277 . GLN . 53748 2 278 . PRO . 53748 2 279 . ARG . 53748 2 280 . GLU . 53748 2 281 . ALA . 53748 2 282 . ASP . 53748 2 283 . LEU . 53748 2 284 . HIS . 53748 2 285 . PRO . 53748 2 286 . LEU . 53748 2 287 . ALA . 53748 2 288 . GLY . 53748 2 289 . GLY . 53748 2 290 . GLU . 53748 2 291 . ARG . 53748 2 292 . VAL . 53748 2 293 . LEU . 53748 2 294 . GLU . 53748 2 295 . VAL . 53748 2 296 . ARG . 53748 2 297 . GLY . 53748 2 298 . GLU . 53748 2 299 . TYR . 53748 2 300 . LEU . 53748 2 301 . PRO . 53748 2 302 . ILE . 53748 2 303 . VAL . 53748 2 304 . GLU . 53748 2 305 . LEU . 53748 2 306 . TRP . 53748 2 307 . LYS . 53748 2 308 . VAL . 53748 2 309 . PHE . 53748 2 310 . ASN . 53748 2 311 . VAL . 53748 2 312 . ALA . 53748 2 313 . GLY . 53748 2 314 . ALA . 53748 2 315 . LYS . 53748 2 316 . THR . 53748 2 317 . GLU . 53748 2 318 . ALA . 53748 2 319 . THR . 53748 2 320 . GLN . 53748 2 321 . GLY . 53748 2 322 . ILE . 53748 2 323 . VAL . 53748 2 324 . VAL . 53748 2 325 . ILE . 53748 2 326 . LEU . 53748 2 327 . GLN . 53748 2 328 . SER . 53748 2 329 . GLY . 53748 2 330 . GLY . 53748 2 331 . ARG . 53748 2 332 . ARG . 53748 2 333 . TYR . 53748 2 334 . ALA . 53748 2 335 . LEU . 53748 2 336 . LEU . 53748 2 337 . VAL . 53748 2 338 . ASP . 53748 2 339 . GLN . 53748 2 340 . LEU . 53748 2 341 . ILE . 53748 2 342 . GLY . 53748 2 343 . GLN . 53748 2 344 . HIS . 53748 2 345 . GLN . 53748 2 346 . VAL . 53748 2 347 . VAL . 53748 2 348 . VAL . 53748 2 349 . LYS . 53748 2 350 . ASN . 53748 2 351 . LEU . 53748 2 352 . GLU . 53748 2 353 . SER . 53748 2 354 . ASN . 53748 2 355 . TYR . 53748 2 356 . ARG . 53748 2 357 . LYS . 53748 2 358 . VAL . 53748 2 359 . PRO . 53748 2 360 . GLY . 53748 2 361 . ILE . 53748 2 362 . SER . 53748 2 363 . ALA . 53748 2 364 . ALA . 53748 2 365 . THR . 53748 2 366 . ILE . 53748 2 367 . LEU . 53748 2 368 . GLY . 53748 2 369 . ASP . 53748 2 370 . GLY . 53748 2 371 . SER . 53748 2 372 . VAL . 53748 2 373 . ALA . 53748 2 374 . LEU . 53748 2 375 . ILE . 53748 2 376 . VAL . 53748 2 377 . ASP . 53748 2 378 . VAL . 53748 2 379 . SER . 53748 2 380 . ALA . 53748 2 381 . LEU . 53748 2 382 . GLN . 53748 2 383 . ALA . 53748 2 384 . ILE . 53748 2 385 . ASN . 53748 2 386 . ARG . 53748 2 387 . GLU . 53748 2 388 . GLN . 53748 2 389 . ARG . 53748 2 390 . MET . 53748 2 391 . ALA . 53748 2 392 . ASN . 53748 2 393 . THR . 53748 2 394 . ALA . 53748 2 395 . ALA . 53748 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 53748 2 . SER 2 2 53748 2 . THR 3 3 53748 2 . SER 4 4 53748 2 . ILE 5 5 53748 2 . ARG 6 6 53748 2 . VAL 7 7 53748 2 . ALA 8 8 53748 2 . VAL 9 9 53748 2 . GLU 10 10 53748 2 . LYS 11 11 53748 2 . VAL 12 12 53748 2 . ASP 13 13 53748 2 . GLN 14 14 53748 2 . LEU 15 15 53748 2 . ILE 16 16 53748 2 . ASN 17 17 53748 2 . LEU 18 18 53748 2 . VAL 19 19 53748 2 . GLY 20 20 53748 2 . GLU 21 21 53748 2 . LEU 22 22 53748 2 . VAL 23 23 53748 2 . ILE 24 24 53748 2 . THR 25 25 53748 2 . GLN 26 26 53748 2 . SER 27 27 53748 2 . MET 28 28 53748 2 . LEU 29 29 53748 2 . ALA 30 30 53748 2 . GLN 31 31 53748 2 . ARG 32 32 53748 2 . SER 33 33 53748 2 . SER 34 34 53748 2 . GLU 35 35 53748 2 . LEU 36 36 53748 2 . ASP 37 37 53748 2 . PRO 38 38 53748 2 . VAL 39 39 53748 2 . ASN 40 40 53748 2 . HIS 41 41 53748 2 . GLY 42 42 53748 2 . ASP 43 43 53748 2 . LEU 44 44 53748 2 . ILE 45 45 53748 2 . THR 46 46 53748 2 . SER 47 47 53748 2 . MET 48 48 53748 2 . GLY 49 49 53748 2 . GLN 50 50 53748 2 . LEU 51 51 53748 2 . GLN 52 52 53748 2 . ARG 53 53 53748 2 . ASN 54 54 53748 2 . ALA 55 55 53748 2 . ARG 56 56 53748 2 . ASP 57 57 53748 2 . LEU 58 58 53748 2 . GLN 59 59 53748 2 . GLU 60 60 53748 2 . SER 61 61 53748 2 . VAL 62 62 53748 2 . MET 63 63 53748 2 . SER 64 64 53748 2 . ILE 65 65 53748 2 . ARG 66 66 53748 2 . MET 67 67 53748 2 . MET 68 68 53748 2 . PRO 69 69 53748 2 . MET 70 70 53748 2 . GLU 71 71 53748 2 . TYR 72 72 53748 2 . VAL 73 73 53748 2 . PHE 74 74 53748 2 . SER 75 75 53748 2 . ARG 76 76 53748 2 . TYR 77 77 53748 2 . PRO 78 78 53748 2 . ARG 79 79 53748 2 . LEU 80 80 53748 2 . VAL 81 81 53748 2 . ARG 82 82 53748 2 . ASP 83 83 53748 2 . LEU 84 84 53748 2 . ALA 85 85 53748 2 . GLY 86 86 53748 2 . LYS 87 87 53748 2 . LEU 88 88 53748 2 . GLY 89 89 53748 2 . LYS 90 90 53748 2 . GLN 91 91 53748 2 . VAL 92 92 53748 2 . GLU 93 93 53748 2 . LEU 94 94 53748 2 . THR 95 95 53748 2 . LEU 96 96 53748 2 . VAL 97 97 53748 2 . GLY 98 98 53748 2 . SER 99 99 53748 2 . SER 100 100 53748 2 . THR 101 101 53748 2 . GLU 102 102 53748 2 . LEU 103 103 53748 2 . ASP 104 104 53748 2 . LYS 105 105 53748 2 . SER 106 106 53748 2 . LEU 107 107 53748 2 . ILE 108 108 53748 2 . GLU 109 109 53748 2 . ARG 110 110 53748 2 . ILE 111 111 53748 2 . ILE 112 112 53748 2 . ASP 113 113 53748 2 . PRO 114 114 53748 2 . LEU 115 115 53748 2 . THR 116 116 53748 2 . HIS 117 117 53748 2 . LEU 118 118 53748 2 . VAL 119 119 53748 2 . ARG 120 120 53748 2 . ASN 121 121 53748 2 . SER 122 122 53748 2 . LEU 123 123 53748 2 . ASP 124 124 53748 2 . HIS 125 125 53748 2 . GLY 126 126 53748 2 . ILE 127 127 53748 2 . GLU 128 128 53748 2 . LEU 129 129 53748 2 . PRO 130 130 53748 2 . GLU 131 131 53748 2 . LYS 132 132 53748 2 . ARG 133 133 53748 2 . LEU 134 134 53748 2 . ALA 135 135 53748 2 . ALA 136 136 53748 2 . GLY 137 137 53748 2 . LYS 138 138 53748 2 . ASN 139 139 53748 2 . SER 140 140 53748 2 . VAL 141 141 53748 2 . GLY 142 142 53748 2 . ASN 143 143 53748 2 . LEU 144 144 53748 2 . ILE 145 145 53748 2 . LEU 146 146 53748 2 . SER 147 147 53748 2 . ALA 148 148 53748 2 . GLU 149 149 53748 2 . HIS 150 150 53748 2 . GLN 151 151 53748 2 . GLY 152 152 53748 2 . GLY 153 153 53748 2 . ASN 154 154 53748 2 . ILE 155 155 53748 2 . CYS 156 156 53748 2 . ILE 157 157 53748 2 . GLU 158 158 53748 2 . VAL 159 159 53748 2 . THR 160 160 53748 2 . ASP 161 161 53748 2 . ASP 162 162 53748 2 . GLY 163 163 53748 2 . ALA 164 164 53748 2 . GLY 165 165 53748 2 . LEU 166 166 53748 2 . ASN 167 167 53748 2 . ARG 168 168 53748 2 . GLU 169 169 53748 2 . ARG 170 170 53748 2 . ILE 171 171 53748 2 . LEU 172 172 53748 2 . ALA 173 173 53748 2 . LYS 174 174 53748 2 . ALA 175 175 53748 2 . ALA 176 176 53748 2 . SER 177 177 53748 2 . GLN 178 178 53748 2 . GLY 179 179 53748 2 . LEU 180 180 53748 2 . THR 181 181 53748 2 . VAL 182 182 53748 2 . SER 183 183 53748 2 . GLU 184 184 53748 2 . ASN 185 185 53748 2 . MET 186 186 53748 2 . SER 187 187 53748 2 . ASP 188 188 53748 2 . ASP 189 189 53748 2 . GLU 190 190 53748 2 . VAL 191 191 53748 2 . ALA 192 192 53748 2 . MET 193 193 53748 2 . LEU 194 194 53748 2 . ILE 195 195 53748 2 . PHE 196 196 53748 2 . ALA 197 197 53748 2 . PRO 198 198 53748 2 . GLY 199 199 53748 2 . PHE 200 200 53748 2 . SER 201 201 53748 2 . THR 202 202 53748 2 . ALA 203 203 53748 2 . GLU 204 204 53748 2 . GLN 205 205 53748 2 . VAL 206 206 53748 2 . THR 207 207 53748 2 . ASP 208 208 53748 2 . VAL 209 209 53748 2 . SER 210 210 53748 2 . GLY 211 211 53748 2 . ARG 212 212 53748 2 . GLY 213 213 53748 2 . VAL 214 214 53748 2 . GLY 215 215 53748 2 . MET 216 216 53748 2 . ASP 217 217 53748 2 . VAL 218 218 53748 2 . VAL 219 219 53748 2 . LYS 220 220 53748 2 . ARG 221 221 53748 2 . ASN 222 222 53748 2 . ILE 223 223 53748 2 . GLN 224 224 53748 2 . LYS 225 225 53748 2 . MET 226 226 53748 2 . GLY 227 227 53748 2 . GLY 228 228 53748 2 . HIS 229 229 53748 2 . VAL 230 230 53748 2 . GLU 231 231 53748 2 . ILE 232 232 53748 2 . GLN 233 233 53748 2 . SER 234 234 53748 2 . LYS 235 235 53748 2 . GLN 236 236 53748 2 . GLY 237 237 53748 2 . THR 238 238 53748 2 . GLY 239 239 53748 2 . THR 240 240 53748 2 . THR 241 241 53748 2 . ILE 242 242 53748 2 . ARG 243 243 53748 2 . ILE 244 244 53748 2 . LEU 245 245 53748 2 . LEU 246 246 53748 2 . PRO 247 247 53748 2 . LEU 248 248 53748 2 . THR 249 249 53748 2 . LEU 250 250 53748 2 . ALA 251 251 53748 2 . ILE 252 252 53748 2 . LEU 253 253 53748 2 . ASP 254 254 53748 2 . GLY 255 255 53748 2 . MET 256 256 53748 2 . SER 257 257 53748 2 . VAL 258 258 53748 2 . ARG 259 259 53748 2 . VAL 260 260 53748 2 . ALA 261 261 53748 2 . ASP 262 262 53748 2 . GLU 263 263 53748 2 . VAL 264 264 53748 2 . PHE 265 265 53748 2 . ILE 266 266 53748 2 . LEU 267 267 53748 2 . PRO 268 268 53748 2 . LEU 269 269 53748 2 . ASN 270 270 53748 2 . ALA 271 271 53748 2 . VAL 272 272 53748 2 . MET 273 273 53748 2 . GLU 274 274 53748 2 . SER 275 275 53748 2 . LEU 276 276 53748 2 . GLN 277 277 53748 2 . PRO 278 278 53748 2 . ARG 279 279 53748 2 . GLU 280 280 53748 2 . ALA 281 281 53748 2 . ASP 282 282 53748 2 . LEU 283 283 53748 2 . HIS 284 284 53748 2 . PRO 285 285 53748 2 . LEU 286 286 53748 2 . ALA 287 287 53748 2 . GLY 288 288 53748 2 . GLY 289 289 53748 2 . GLU 290 290 53748 2 . ARG 291 291 53748 2 . VAL 292 292 53748 2 . LEU 293 293 53748 2 . GLU 294 294 53748 2 . VAL 295 295 53748 2 . ARG 296 296 53748 2 . GLY 297 297 53748 2 . GLU 298 298 53748 2 . TYR 299 299 53748 2 . LEU 300 300 53748 2 . PRO 301 301 53748 2 . ILE 302 302 53748 2 . VAL 303 303 53748 2 . GLU 304 304 53748 2 . LEU 305 305 53748 2 . TRP 306 306 53748 2 . LYS 307 307 53748 2 . VAL 308 308 53748 2 . PHE 309 309 53748 2 . ASN 310 310 53748 2 . VAL 311 311 53748 2 . ALA 312 312 53748 2 . GLY 313 313 53748 2 . ALA 314 314 53748 2 . LYS 315 315 53748 2 . THR 316 316 53748 2 . GLU 317 317 53748 2 . ALA 318 318 53748 2 . THR 319 319 53748 2 . GLN 320 320 53748 2 . GLY 321 321 53748 2 . ILE 322 322 53748 2 . VAL 323 323 53748 2 . VAL 324 324 53748 2 . ILE 325 325 53748 2 . LEU 326 326 53748 2 . GLN 327 327 53748 2 . SER 328 328 53748 2 . GLY 329 329 53748 2 . GLY 330 330 53748 2 . ARG 331 331 53748 2 . ARG 332 332 53748 2 . TYR 333 333 53748 2 . ALA 334 334 53748 2 . LEU 335 335 53748 2 . LEU 336 336 53748 2 . VAL 337 337 53748 2 . ASP 338 338 53748 2 . GLN 339 339 53748 2 . LEU 340 340 53748 2 . ILE 341 341 53748 2 . GLY 342 342 53748 2 . GLN 343 343 53748 2 . HIS 344 344 53748 2 . GLN 345 345 53748 2 . VAL 346 346 53748 2 . VAL 347 347 53748 2 . VAL 348 348 53748 2 . LYS 349 349 53748 2 . ASN 350 350 53748 2 . LEU 351 351 53748 2 . GLU 352 352 53748 2 . SER 353 353 53748 2 . ASN 354 354 53748 2 . TYR 355 355 53748 2 . ARG 356 356 53748 2 . LYS 357 357 53748 2 . VAL 358 358 53748 2 . PRO 359 359 53748 2 . GLY 360 360 53748 2 . ILE 361 361 53748 2 . SER 362 362 53748 2 . ALA 363 363 53748 2 . ALA 364 364 53748 2 . THR 365 365 53748 2 . ILE 366 366 53748 2 . LEU 367 367 53748 2 . GLY 368 368 53748 2 . ASP 369 369 53748 2 . GLY 370 370 53748 2 . SER 371 371 53748 2 . VAL 372 372 53748 2 . ALA 373 373 53748 2 . LEU 374 374 53748 2 . ILE 375 375 53748 2 . VAL 376 376 53748 2 . ASP 377 377 53748 2 . VAL 378 378 53748 2 . SER 379 379 53748 2 . ALA 380 380 53748 2 . LEU 381 381 53748 2 . GLN 382 382 53748 2 . ALA 383 383 53748 2 . ILE 384 384 53748 2 . ASN 385 385 53748 2 . ARG 386 386 53748 2 . GLU 387 387 53748 2 . GLN 388 388 53748 2 . ARG 389 389 53748 2 . MET 390 390 53748 2 . ALA 391 391 53748 2 . ASN 392 392 53748 2 . THR 393 393 53748 2 . ALA 394 394 53748 2 . ALA 395 395 53748 2 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 53748 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53748 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53748 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 53748 _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 . . . plasmid . . pTEV-CheA-P1 . . . 53748 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pTEV-CheA-P3P4P5 . . . 53748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53748 _Sample.ID 1 _Sample.Name 'CheA-P1 with CheA-P3P4P5' _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 'CheA P1' '[U-2H; U-15N]' . . 1 $entity_1 . . 100 . . uM . . . . 53748 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 53748 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53748 1 4 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 53748 1 5 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53748 1 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 53748 1 7 CheA-P3P4P5 'natural abundance' . . 2 $entity_2 . . 500 . . uM . . . . 53748 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 53748 _Sample_condition_list.ID 1 _Sample_condition_list.Name '295K, pH7.5' _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' 200 25 mM 53748 1 pH 7.5 . pH 53748 1 pressure 1 . atm 53748 1 temperature 295 . K 53748 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53748 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53748 1 processing . 53748 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53748 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53748 2 'data analysis' . 53748 2 'peak picking' . 53748 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 53748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'UMass Amherst' _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 53748 _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 TROSY' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53748 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N TROSY' CheAP1_CheAP3P4P5.zip . 'NMR experiment directory' . 'CheA-P1 + CheA-P3P4P5 topspin directory' 53748 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 53748 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '600MHz solution chemical shift referencing' _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 TSP protons . . . . ppm 0 external direct 1 . . . . . 53748 1 N 15 Ubiquitin nitrogen . . . . ppm 133.72 external direct 1 . . . . . 53748 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 53748 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CheA-P1 with CheA-P3P4P5' _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 ; Several peaks with ambiguous assignments have not been included in this assigned chemical shift list. The ambiguity in those peak assignments comes from overlap of 2 peaks during or at the end of assignment transfer from Zhou, H., et. al. (1995). Biochemistry, 34(42), 13858-13870. CheA-P1 conditions. Requests for the assigned chemical shift list that include these ambiguous peaks can be made to Lynmarie Thompson. ; _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 TROSY' . . . 53748 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all nitrogens' . 0.066 . 53748 1 na 'all 1H' . 0.003 . 53748 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 . . 53748 1 2 $software_2 . . 53748 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 5 5 ILE H H 1 8.013568521 . . 1 . . . . . 5 ILE H . 53748 1 2 . 1 . 1 5 5 ILE N N 15 121.860334 . . 1 . . . . . 5 ILE N . 53748 1 3 . 1 . 1 6 6 SER H H 1 8.204893985 . . 1 . . . . . 6 SER H . 53748 1 4 . 1 . 1 6 6 SER N N 15 122.4558076 . . 1 . . . . . 6 SER N . 53748 1 5 . 1 . 1 7 7 ASP H H 1 8.127496826 . . 1 . . . . . 7 ASP H . 53748 1 6 . 1 . 1 7 7 ASP N N 15 122.8454516 . . 1 . . . . . 7 ASP N . 53748 1 7 . 1 . 1 8 8 PHE H H 1 7.806635762 . . 1 . . . . . 8 PHE H . 53748 1 8 . 1 . 1 8 8 PHE N N 15 120.0098631 . . 1 . . . . . 8 PHE N . 53748 1 9 . 1 . 1 9 9 TYR H H 1 7.528774188 . . 1 . . . . . 9 TYR H . 53748 1 10 . 1 . 1 9 9 TYR N N 15 119.1605904 . . 1 . . . . . 9 TYR N . 53748 1 11 . 1 . 1 10 10 GLN H H 1 7.750194949 . . 1 . . . . . 10 GLN H . 53748 1 12 . 1 . 1 10 10 GLN N N 15 118.3761104 . . 1 . . . . . 10 GLN N . 53748 1 13 . 1 . 1 11 11 THR H H 1 7.758226518 . . 1 . . . . . 11 THR H . 53748 1 14 . 1 . 1 11 11 THR N N 15 113.0602208 . . 1 . . . . . 11 THR N . 53748 1 15 . 1 . 1 12 12 PHE H H 1 7.325634359 . . 1 . . . . . 12 PHE H . 53748 1 16 . 1 . 1 12 12 PHE N N 15 122.5217289 . . 1 . . . . . 12 PHE N . 53748 1 17 . 1 . 1 13 13 PHE H H 1 8.129735353 . . 1 . . . . . 13 PHE H . 53748 1 18 . 1 . 1 13 13 PHE N N 15 118.9681467 . . 1 . . . . . 13 PHE N . 53748 1 19 . 1 . 1 14 14 ASP H H 1 8.135243793 . . 1 . . . . . 14 ASP H . 53748 1 20 . 1 . 1 14 14 ASP N N 15 118.1978379 . . 1 . . . . . 14 ASP N . 53748 1 21 . 1 . 1 15 15 GLU H H 1 7.884554066 . . 1 . . . . . 15 GLU H . 53748 1 22 . 1 . 1 15 15 GLU N N 15 122.2562903 . . 1 . . . . . 15 GLU N . 53748 1 23 . 1 . 1 16 16 ALA H H 1 9.018505961 . . 1 . . . . . 16 ALA H . 53748 1 24 . 1 . 1 16 16 ALA N N 15 122.6521618 . . 1 . . . . . 16 ALA N . 53748 1 25 . 1 . 1 17 17 ASP H H 1 8.136333761 . . 1 . . . . . 17 ASP H . 53748 1 26 . 1 . 1 17 17 ASP N N 15 118.5833103 . . 1 . . . . . 17 ASP N . 53748 1 27 . 1 . 1 18 18 GLU H H 1 7.230294678 . . 1 . . . . . 18 GLU H . 53748 1 28 . 1 . 1 18 18 GLU N N 15 120.9046202 . . 1 . . . . . 18 GLU N . 53748 1 29 . 1 . 1 21 21 ALA H H 1 7.429654637 . . 1 . . . . . 21 ALA H . 53748 1 30 . 1 . 1 21 21 ALA N N 15 122.6351144 . . 1 . . . . . 21 ALA N . 53748 1 31 . 1 . 1 22 22 ASP H H 1 8.147287009 . . 1 . . . . . 22 ASP H . 53748 1 32 . 1 . 1 22 22 ASP N N 15 121.584237 . . 1 . . . . . 22 ASP N . 53748 1 33 . 1 . 1 24 24 GLU H H 1 7.984788311 . . 1 . . . . . 24 GLU H . 53748 1 34 . 1 . 1 24 24 GLU N N 15 118.5761556 . . 1 . . . . . 24 GLU N . 53748 1 35 . 1 . 1 25 25 GLN H H 1 7.67339813 . . 1 . . . . . 25 GLN H . 53748 1 36 . 1 . 1 25 25 GLN N N 15 115.9624978 . . 1 . . . . . 25 GLN N . 53748 1 37 . 1 . 1 27 27 LEU H H 1 8.320110108 . . 1 . . . . . 27 LEU H . 53748 1 38 . 1 . 1 27 27 LEU N N 15 120.1478432 . . 1 . . . . . 27 LEU N . 53748 1 39 . 1 . 1 28 28 LEU H H 1 7.766476764 . . 1 . . . . . 28 LEU H . 53748 1 40 . 1 . 1 28 28 LEU N N 15 115.4695597 . . 1 . . . . . 28 LEU N . 53748 1 41 . 1 . 1 29 29 VAL H H 1 6.940273851 . . 1 . . . . . 29 VAL H . 53748 1 42 . 1 . 1 29 29 VAL N N 15 109.3178966 . . 1 . . . . . 29 VAL N . 53748 1 43 . 1 . 1 30 30 LEU H H 1 7.101070533 . . 1 . . . . . 30 LEU H . 53748 1 44 . 1 . 1 30 30 LEU N N 15 126.2016656 . . 1 . . . . . 30 LEU N . 53748 1 45 . 1 . 1 31 31 GLN H H 1 8.754950098 . . 1 . . . . . 31 GLN H . 53748 1 46 . 1 . 1 31 31 GLN N N 15 127.1290792 . . 1 . . . . . 31 GLN N . 53748 1 47 . 1 . 1 33 33 GLU H H 1 8.616431014 . . 1 . . . . . 33 GLU H . 53748 1 48 . 1 . 1 33 33 GLU N N 15 114.084518 . . 1 . . . . . 33 GLU N . 53748 1 49 . 1 . 1 34 34 ALA H H 1 7.190788574 . . 1 . . . . . 34 ALA H . 53748 1 50 . 1 . 1 34 34 ALA N N 15 121.5484527 . . 1 . . . . . 34 ALA N . 53748 1 51 . 1 . 1 36 36 ASP H H 1 8.240167822 . . 1 . . . . . 36 ASP H . 53748 1 52 . 1 . 1 36 36 ASP N N 15 125.8725626 . . 1 . . . . . 36 ASP N . 53748 1 53 . 1 . 1 37 37 ALA H H 1 8.792029711 . . 1 . . . . . 37 ALA H . 53748 1 54 . 1 . 1 37 37 ALA N N 15 130.3357513 . . 1 . . . . . 37 ALA N . 53748 1 55 . 1 . 1 38 38 GLU H H 1 8.200308159 . . 1 . . . . . 38 GLU H . 53748 1 56 . 1 . 1 38 38 GLU N N 15 117.8275054 . . 1 . . . . . 38 GLU N . 53748 1 57 . 1 . 1 40 40 LEU H H 1 7.843775399 . . 1 . . . . . 40 LEU H . 53748 1 58 . 1 . 1 40 40 LEU N N 15 117.6326179 . . 1 . . . . . 40 LEU N . 53748 1 59 . 1 . 1 41 41 ASN H H 1 8.327610816 . . 1 . . . . . 41 ASN H . 53748 1 60 . 1 . 1 41 41 ASN N N 15 117.7154129 . . 1 . . . . . 41 ASN N . 53748 1 61 . 1 . 1 42 42 ALA H H 1 7.749629086 . . 1 . . . . . 42 ALA H . 53748 1 62 . 1 . 1 42 42 ALA N N 15 123.5013593 . . 1 . . . . . 42 ALA N . 53748 1 63 . 1 . 1 43 43 ILE H H 1 7.74577211 . . 1 . . . . . 43 ILE H . 53748 1 64 . 1 . 1 43 43 ILE N N 15 120.5401696 . . 1 . . . . . 43 ILE N . 53748 1 65 . 1 . 1 45 45 ARG H H 1 8.72050301 . . 1 . . . . . 45 ARG H . 53748 1 66 . 1 . 1 45 45 ARG N N 15 118.8812063 . . 1 . . . . . 45 ARG N . 53748 1 67 . 1 . 1 46 46 ALA H H 1 7.478386097 . . 1 . . . . . 46 ALA H . 53748 1 68 . 1 . 1 46 46 ALA N N 15 122.2000654 . . 1 . . . . . 46 ALA N . 53748 1 69 . 1 . 1 47 47 ALA H H 1 7.696399981 . . 1 . . . . . 47 ALA H . 53748 1 70 . 1 . 1 47 47 ALA N N 15 119.8239296 . . 1 . . . . . 47 ALA N . 53748 1 71 . 1 . 1 48 48 HIS H H 1 8.677931052 . . 1 . . . . . 48 HIS H . 53748 1 72 . 1 . 1 48 48 HIS N N 15 116.998998 . . 1 . . . . . 48 HIS N . 53748 1 73 . 1 . 1 49 49 SER H H 1 8.217866822 . . 1 . . . . . 49 SER H . 53748 1 74 . 1 . 1 49 49 SER N N 15 116.9625952 . . 1 . . . . . 49 SER N . 53748 1 75 . 1 . 1 50 50 ILE H H 1 8.027792189 . . 1 . . . . . 50 ILE H . 53748 1 76 . 1 . 1 50 50 ILE N N 15 124.4730079 . . 1 . . . . . 50 ILE N . 53748 1 77 . 1 . 1 51 51 LYS H H 1 8.392821767 . . 1 . . . . . 51 LYS H . 53748 1 78 . 1 . 1 51 51 LYS N N 15 121.5468765 . . 1 . . . . . 51 LYS N . 53748 1 79 . 1 . 1 52 52 GLY H H 1 7.668245083 . . 1 . . . . . 52 GLY H . 53748 1 80 . 1 . 1 52 52 GLY N N 15 105.6837432 . . 1 . . . . . 52 GLY N . 53748 1 81 . 1 . 1 53 53 GLY H H 1 7.742366592 . . 1 . . . . . 53 GLY H . 53748 1 82 . 1 . 1 53 53 GLY N N 15 110.7636042 . . 1 . . . . . 53 GLY N . 53748 1 83 . 1 . 1 54 54 ALA H H 1 8.709941619 . . 1 . . . . . 54 ALA H . 53748 1 84 . 1 . 1 54 54 ALA N N 15 123.0999974 . . 1 . . . . . 54 ALA N . 53748 1 85 . 1 . 1 55 55 GLY H H 1 7.884184626 . . 1 . . . . . 55 GLY H . 53748 1 86 . 1 . 1 55 55 GLY N N 15 103.727285 . . 1 . . . . . 55 GLY N . 53748 1 87 . 1 . 1 56 56 THR H H 1 7.435720107 . . 1 . . . . . 56 THR H . 53748 1 88 . 1 . 1 56 56 THR N N 15 120.5052647 . . 1 . . . . . 56 THR N . 53748 1 89 . 1 . 1 57 57 PHE H H 1 6.73768881 . . 1 . . . . . 57 PHE H . 53748 1 90 . 1 . 1 57 57 PHE N N 15 116.3227069 . . 1 . . . . . 57 PHE N . 53748 1 91 . 1 . 1 58 58 GLY H H 1 7.032700009 . . 1 . . . . . 58 GLY H . 53748 1 92 . 1 . 1 58 58 GLY N N 15 107.3954496 . . 1 . . . . . 58 GLY N . 53748 1 93 . 1 . 1 59 59 PHE H H 1 7.991480032 . . 1 . . . . . 59 PHE H . 53748 1 94 . 1 . 1 59 59 PHE N N 15 122.3873358 . . 1 . . . . . 59 PHE N . 53748 1 95 . 1 . 1 60 60 SER H H 1 7.832992145 . . 1 . . . . . 60 SER H . 53748 1 96 . 1 . 1 60 60 SER N N 15 119.3970449 . . 1 . . . . . 60 SER N . 53748 1 97 . 1 . 1 61 61 VAL H H 1 7.732148783 . . 1 . . . . . 61 VAL H . 53748 1 98 . 1 . 1 61 61 VAL N N 15 122.0125289 . . 1 . . . . . 61 VAL N . 53748 1 99 . 1 . 1 62 62 LEU H H 1 6.60046005 . . 1 . . . . . 62 LEU H . 53748 1 100 . 1 . 1 62 62 LEU N N 15 122.2279176 . . 1 . . . . . 62 LEU N . 53748 1 101 . 1 . 1 63 63 GLN H H 1 8.470196254 . . 1 . . . . . 63 GLN H . 53748 1 102 . 1 . 1 63 63 GLN N N 15 122.7650214 . . 1 . . . . . 63 GLN N . 53748 1 103 . 1 . 1 64 64 GLU H H 1 8.217041431 . . 1 . . . . . 64 GLU H . 53748 1 104 . 1 . 1 64 64 GLU N N 15 118.8012687 . . 1 . . . . . 64 GLU N . 53748 1 105 . 1 . 1 65 65 THR H H 1 7.92723834 . . 1 . . . . . 65 THR H . 53748 1 106 . 1 . 1 65 65 THR N N 15 116.5797775 . . 1 . . . . . 65 THR N . 53748 1 107 . 1 . 1 66 66 THR H H 1 8.02701674 . . 1 . . . . . 66 THR H . 53748 1 108 . 1 . 1 66 66 THR N N 15 113.1138974 . . 1 . . . . . 66 THR N . 53748 1 109 . 1 . 1 67 67 HIS H H 1 8.436380955 . . 1 . . . . . 67 HIS H . 53748 1 110 . 1 . 1 67 67 HIS N N 15 122.9328345 . . 1 . . . . . 67 HIS N . 53748 1 111 . 1 . 1 68 68 LEU H H 1 7.601353157 . . 1 . . . . . 68 LEU H . 53748 1 112 . 1 . 1 68 68 LEU N N 15 117.7847731 . . 1 . . . . . 68 LEU N . 53748 1 113 . 1 . 1 69 69 MET H H 1 7.571503155 . . 1 . . . . . 69 MET H . 53748 1 114 . 1 . 1 69 69 MET N N 15 119.137584 . . 1 . . . . . 69 MET N . 53748 1 115 . 1 . 1 70 70 GLU H H 1 9.270704396 . . 1 . . . . . 70 GLU H . 53748 1 116 . 1 . 1 70 70 GLU N N 15 121.4395641 . . 1 . . . . . 70 GLU N . 53748 1 117 . 1 . 1 71 71 ASN H H 1 7.866358181 . . 1 . . . . . 71 ASN H . 53748 1 118 . 1 . 1 71 71 ASN N N 15 117.1382442 . . 1 . . . . . 71 ASN N . 53748 1 119 . 1 . 1 72 72 LEU H H 1 7.090857007 . . 1 . . . . . 72 LEU H . 53748 1 120 . 1 . 1 72 72 LEU N N 15 119.7107846 . . 1 . . . . . 72 LEU N . 53748 1 121 . 1 . 1 74 74 ASP H H 1 8.642531003 . . 1 . . . . . 74 ASP H . 53748 1 122 . 1 . 1 74 74 ASP N N 15 120.42556 . . 1 . . . . . 74 ASP N . 53748 1 123 . 1 . 1 76 76 ALA H H 1 8.214835443 . . 1 . . . . . 76 ALA H . 53748 1 124 . 1 . 1 76 76 ALA N N 15 121.0877192 . . 1 . . . . . 76 ALA N . 53748 1 125 . 1 . 1 77 77 ARG H H 1 8.639156202 . . 1 . . . . . 77 ARG H . 53748 1 126 . 1 . 1 77 77 ARG N N 15 119.8575609 . . 1 . . . . . 77 ARG N . 53748 1 127 . 1 . 1 79 79 GLY H H 1 7.646078026 . . 1 . . . . . 79 GLY H . 53748 1 128 . 1 . 1 79 79 GLY N N 15 107.8771332 . . 1 . . . . . 79 GLY N . 53748 1 129 . 1 . 1 80 80 GLU H H 1 7.823490754 . . 1 . . . . . 80 GLU H . 53748 1 130 . 1 . 1 80 80 GLU N N 15 118.1805577 . . 1 . . . . . 80 GLU N . 53748 1 131 . 1 . 1 81 81 MET H H 1 6.80632722 . . 1 . . . . . 81 MET H . 53748 1 132 . 1 . 1 81 81 MET N N 15 117.5551986 . . 1 . . . . . 81 MET N . 53748 1 133 . 1 . 1 82 82 GLN H H 1 8.524441268 . . 1 . . . . . 82 GLN H . 53748 1 134 . 1 . 1 82 82 GLN N N 15 126.3822198 . . 1 . . . . . 82 GLN N . 53748 1 135 . 1 . 1 84 84 ASN H H 1 6.490315376 . . 1 . . . . . 84 ASN H . 53748 1 136 . 1 . 1 84 84 ASN N N 15 111.8010454 . . 1 . . . . . 84 ASN N . 53748 1 137 . 1 . 1 86 86 ASP H H 1 7.802617365 . . 1 . . . . . 86 ASP H . 53748 1 138 . 1 . 1 86 86 ASP N N 15 122.339876 . . 1 . . . . . 86 ASP N . 53748 1 139 . 1 . 1 87 87 ILE H H 1 8.197478219 . . 1 . . . . . 87 ILE H . 53748 1 140 . 1 . 1 87 87 ILE N N 15 122.9577415 . . 1 . . . . . 87 ILE N . 53748 1 141 . 1 . 1 88 88 ILE H H 1 7.587337299 . . 1 . . . . . 88 ILE H . 53748 1 142 . 1 . 1 88 88 ILE N N 15 119.766179 . . 1 . . . . . 88 ILE N . 53748 1 143 . 1 . 1 89 89 ASN H H 1 8.26550187 . . 1 . . . . . 89 ASN H . 53748 1 144 . 1 . 1 89 89 ASN N N 15 118.4433773 . . 1 . . . . . 89 ASN N . 53748 1 145 . 1 . 1 90 90 LEU H H 1 7.782790028 . . 1 . . . . . 90 LEU H . 53748 1 146 . 1 . 1 90 90 LEU N N 15 124.8834391 . . 1 . . . . . 90 LEU N . 53748 1 147 . 1 . 1 91 91 PHE H H 1 8.696237894 . . 1 . . . . . 91 PHE H . 53748 1 148 . 1 . 1 91 91 PHE N N 15 123.7113939 . . 1 . . . . . 91 PHE N . 53748 1 149 . 1 . 1 92 92 LEU H H 1 8.589112163 . . 1 . . . . . 92 LEU H . 53748 1 150 . 1 . 1 92 92 LEU N N 15 123.0817633 . . 1 . . . . . 92 LEU N . 53748 1 151 . 1 . 1 93 93 GLU H H 1 8.234796725 . . 1 . . . . . 93 GLU H . 53748 1 152 . 1 . 1 93 93 GLU N N 15 121.6039383 . . 1 . . . . . 93 GLU N . 53748 1 153 . 1 . 1 96 96 ASP H H 1 7.857849348 . . 1 . . . . . 96 ASP H . 53748 1 154 . 1 . 1 96 96 ASP N N 15 121.1924819 . . 1 . . . . . 96 ASP N . 53748 1 155 . 1 . 1 98 98 MET H H 1 9.054002941 . . 1 . . . . . 98 MET H . 53748 1 156 . 1 . 1 98 98 MET N N 15 122.4149005 . . 1 . . . . . 98 MET N . 53748 1 157 . 1 . 1 99 99 GLN H H 1 8.233853586 . . 1 . . . . . 99 GLN H . 53748 1 158 . 1 . 1 99 99 GLN N N 15 119.3972209 . . 1 . . . . . 99 GLN N . 53748 1 159 . 1 . 1 100 100 GLU H H 1 7.65325819 . . 1 . . . . . 100 GLU H . 53748 1 160 . 1 . 1 100 100 GLU N N 15 119.6773561 . . 1 . . . . . 100 GLU N . 53748 1 161 . 1 . 1 103 103 ASP H H 1 8.448687419 . . 1 . . . . . 103 ASP H . 53748 1 162 . 1 . 1 103 103 ASP N N 15 118.2884645 . . 1 . . . . . 103 ASP N . 53748 1 163 . 1 . 1 104 104 ALA H H 1 7.545379368 . . 1 . . . . . 104 ALA H . 53748 1 164 . 1 . 1 104 104 ALA N N 15 124.7373172 . . 1 . . . . . 104 ALA N . 53748 1 165 . 1 . 1 105 105 TYR H H 1 7.684092263 . . 1 . . . . . 105 TYR H . 53748 1 166 . 1 . 1 105 105 TYR N N 15 119.4135258 . . 1 . . . . . 105 TYR N . 53748 1 167 . 1 . 1 107 107 GLN H H 1 7.072806244 . . 1 . . . . . 107 GLN H . 53748 1 168 . 1 . 1 107 107 GLN N N 15 115.9002181 . . 1 . . . . . 107 GLN N . 53748 1 169 . 1 . 1 108 108 SER H H 1 7.98306732 . . 1 . . . . . 108 SER H . 53748 1 170 . 1 . 1 108 108 SER N N 15 113.427298 . . 1 . . . . . 108 SER N . 53748 1 171 . 1 . 1 109 109 GLN H H 1 8.004822518 . . 1 . . . . . 109 GLN H . 53748 1 172 . 1 . 1 109 109 GLN N N 15 118.1382654 . . 1 . . . . . 109 GLN N . 53748 1 173 . 1 . 1 110 110 GLU H H 1 8.166198435 . . 1 . . . . . 110 GLU H . 53748 1 174 . 1 . 1 110 110 GLU N N 15 120.7415904 . . 1 . . . . . 110 GLU N . 53748 1 175 . 1 . 1 113 113 ALA H H 1 8.713122558 . . 1 . . . . . 113 ALA H . 53748 1 176 . 1 . 1 113 113 ALA N N 15 132.8412532 . . 1 . . . . . 113 ALA N . 53748 1 177 . 1 . 1 114 114 ALA H H 1 8.16285853 . . 1 . . . . . 114 ALA H . 53748 1 178 . 1 . 1 114 114 ALA N N 15 121.7405633 . . 1 . . . . . 114 ALA N . 53748 1 179 . 1 . 1 115 115 SER H H 1 8.267038245 . . 1 . . . . . 115 SER H . 53748 1 180 . 1 . 1 115 115 SER N N 15 116.6104967 . . 1 . . . . . 115 SER N . 53748 1 181 . 1 . 1 116 116 PHE H H 1 7.122676115 . . 1 . . . . . 116 PHE H . 53748 1 182 . 1 . 1 116 116 PHE N N 15 122.9784885 . . 1 . . . . . 116 PHE N . 53748 1 183 . 1 . 1 118 118 TYR H H 1 7.843606246 . . 1 . . . . . 118 TYR H . 53748 1 184 . 1 . 1 118 118 TYR N N 15 118.914299 . . 1 . . . . . 118 TYR N . 53748 1 185 . 1 . 1 119 119 ILE H H 1 8.277836753 . . 1 . . . . . 119 ILE H . 53748 1 186 . 1 . 1 119 119 ILE N N 15 122.6383955 . . 1 . . . . . 119 ILE N . 53748 1 187 . 1 . 1 121 121 GLN H H 1 7.44992267 . . 1 . . . . . 121 GLN H . 53748 1 188 . 1 . 1 121 121 GLN N N 15 118.3143704 . . 1 . . . . . 121 GLN N . 53748 1 189 . 1 . 1 122 122 ALA H H 1 7.571970204 . . 1 . . . . . 122 ALA H . 53748 1 190 . 1 . 1 122 122 ALA N N 15 122.667472 . . 1 . . . . . 122 ALA N . 53748 1 191 . 1 . 1 123 123 LEU H H 1 8.40522686 . . 1 . . . . . 123 LEU H . 53748 1 192 . 1 . 1 123 123 LEU N N 15 118.7608133 . . 1 . . . . . 123 LEU N . 53748 1 193 . 1 . 1 125 125 GLN H H 1 7.951107582 . . 1 . . . . . 125 GLN H . 53748 1 194 . 1 . 1 125 125 GLN N N 15 119.6668302 . . 1 . . . . . 125 GLN N . 53748 1 195 . 1 . 1 126 126 LEU H H 1 7.358641611 . . 1 . . . . . 126 LEU H . 53748 1 196 . 1 . 1 126 126 LEU N N 15 119.4190645 . . 1 . . . . . 126 LEU N . 53748 1 197 . 1 . 1 127 127 ALA H H 1 7.373680013 . . 1 . . . . . 127 ALA H . 53748 1 198 . 1 . 1 127 127 ALA N N 15 120.3545334 . . 1 . . . . . 127 ALA N . 53748 1 199 . 1 . 1 128 128 LEU H H 1 7.597238743 . . 1 . . . . . 128 LEU H . 53748 1 200 . 1 . 1 128 128 LEU N N 15 119.0531783 . . 1 . . . . . 128 LEU N . 53748 1 201 . 1 . 1 129 129 GLU H H 1 7.993160485 . . 1 . . . . . 129 GLU H . 53748 1 202 . 1 . 1 129 129 GLU N N 15 120.5371299 . . 1 . . . . . 129 GLU N . 53748 1 203 . 1 . 1 130 130 ALA H H 1 8.064552773 . . 1 . . . . . 130 ALA H . 53748 1 204 . 1 . 1 130 130 ALA N N 15 122.7972858 . . 1 . . . . . 130 ALA N . 53748 1 205 . 1 . 1 131 131 LYS H H 1 7.571810663 . . 1 . . . . . 131 LYS H . 53748 1 206 . 1 . 1 131 131 LYS N N 15 117.985181 . . 1 . . . . . 131 LYS N . 53748 1 207 . 1 . 1 132 132 GLY H H 1 7.885399203 . . 1 . . . . . 132 GLY H . 53748 1 208 . 1 . 1 132 132 GLY N N 15 109.0582048 . . 1 . . . . . 132 GLY N . 53748 1 209 . 1 . 1 133 133 GLU H H 1 8.104324255 . . 1 . . . . . 133 GLU H . 53748 1 210 . 1 . 1 133 133 GLU N N 15 121.1598989 . . 1 . . . . . 133 GLU N . 53748 1 211 . 1 . 1 134 134 THR H H 1 7.662261108 . . 1 . . . . . 134 THR H . 53748 1 212 . 1 . 1 134 134 THR N N 15 120.333252 . . 1 . . . . . 134 THR N . 53748 1 stop_ save_