data_53742 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53742 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with Kinase-OFF chemotaxis signaling complexes and AMPPCP ; _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. . . 53742 2 Jian Huang . . . . 53742 3 Jianhan Chen . . . . 53742 4 Jasna Fejzo . . . . 53742 5 Lynmarie Thompson . K. . . 53742 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53742 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 106 53742 '1H chemical shifts' 106 53742 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 . 53742 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53743 ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with Kinase-OFF chemotaxis signaling complexes ; 53742 BMRB 53744 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with 7.5% PEG and 420uM ZnCl2' 53742 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 ; 53742 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) ; 53742 BMRB 53747 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with 2% PEG and 420uM ZnCl2' 53742 BMRB 53748 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with CheA-P3P4P5' 53742 BMRB 53749 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli' 53742 BMRB 53750 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with AMPPCP' 53742 BMRB 53751 'Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with ATP' 53742 BMRB 53752 'Backbone 1H and 15N Chemical Shift Assignments for the U-15N CheA P1 domain from Escherichia coli' 53742 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53742 _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. . . 53742 1 2 Jian Huang . . . . 53742 1 3 Jianhan Chen . . . . 53742 1 4 Jasna Fejzo . . . . 53742 1 5 Lynmarie Thompson . . . . 53742 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53742 _Assembly.ID 1 _Assembly.Name 'CheA-P1+Kinase-off chemotaxis signaling complexes+AMPPCP' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 . . . 53742 1 2 CheA-P3P4P5 2 $entity_2 . . no native no no . . . 53742 1 3 CF4E 3 $entity_3 . . no native no no . . . 53742 1 4 CheW 4 $entity_4 . . no native no no . . . 53742 1 5 AMPPCP 5 $entity_5 . . no native no yes . . . 53742 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53742 _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 . _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 . 53742 1 2 . SER . 53742 1 3 . MET . 53742 1 4 . ASP . 53742 1 5 . ILE . 53742 1 6 . SER . 53742 1 7 . ASP . 53742 1 8 . PHE . 53742 1 9 . TYR . 53742 1 10 . GLN . 53742 1 11 . THR . 53742 1 12 . PHE . 53742 1 13 . PHE . 53742 1 14 . ASP . 53742 1 15 . GLU . 53742 1 16 . ALA . 53742 1 17 . ASP . 53742 1 18 . GLU . 53742 1 19 . LEU . 53742 1 20 . LEU . 53742 1 21 . ALA . 53742 1 22 . ASP . 53742 1 23 . MET . 53742 1 24 . GLU . 53742 1 25 . GLN . 53742 1 26 . HIS . 53742 1 27 . LEU . 53742 1 28 . LEU . 53742 1 29 . VAL . 53742 1 30 . LEU . 53742 1 31 . GLN . 53742 1 32 . PRO . 53742 1 33 . GLU . 53742 1 34 . ALA . 53742 1 35 . PRO . 53742 1 36 . ASP . 53742 1 37 . ALA . 53742 1 38 . GLU . 53742 1 39 . GLN . 53742 1 40 . LEU . 53742 1 41 . ASN . 53742 1 42 . ALA . 53742 1 43 . ILE . 53742 1 44 . PHE . 53742 1 45 . ARG . 53742 1 46 . ALA . 53742 1 47 . ALA . 53742 1 48 . HIS . 53742 1 49 . SER . 53742 1 50 . ILE . 53742 1 51 . LYS . 53742 1 52 . GLY . 53742 1 53 . GLY . 53742 1 54 . ALA . 53742 1 55 . GLY . 53742 1 56 . THR . 53742 1 57 . PHE . 53742 1 58 . GLY . 53742 1 59 . PHE . 53742 1 60 . SER . 53742 1 61 . VAL . 53742 1 62 . LEU . 53742 1 63 . GLN . 53742 1 64 . GLU . 53742 1 65 . THR . 53742 1 66 . THR . 53742 1 67 . HIS . 53742 1 68 . LEU . 53742 1 69 . MET . 53742 1 70 . GLU . 53742 1 71 . ASN . 53742 1 72 . LEU . 53742 1 73 . LEU . 53742 1 74 . ASP . 53742 1 75 . GLU . 53742 1 76 . ALA . 53742 1 77 . ARG . 53742 1 78 . ARG . 53742 1 79 . GLY . 53742 1 80 . GLU . 53742 1 81 . MET . 53742 1 82 . GLN . 53742 1 83 . LEU . 53742 1 84 . ASN . 53742 1 85 . THR . 53742 1 86 . ASP . 53742 1 87 . ILE . 53742 1 88 . ILE . 53742 1 89 . ASN . 53742 1 90 . LEU . 53742 1 91 . PHE . 53742 1 92 . LEU . 53742 1 93 . GLU . 53742 1 94 . THR . 53742 1 95 . LYS . 53742 1 96 . ASP . 53742 1 97 . ILE . 53742 1 98 . MET . 53742 1 99 . GLN . 53742 1 100 . GLU . 53742 1 101 . GLN . 53742 1 102 . LEU . 53742 1 103 . ASP . 53742 1 104 . ALA . 53742 1 105 . TYR . 53742 1 106 . LYS . 53742 1 107 . GLN . 53742 1 108 . SER . 53742 1 109 . GLN . 53742 1 110 . GLU . 53742 1 111 . PRO . 53742 1 112 . ASP . 53742 1 113 . ALA . 53742 1 114 . ALA . 53742 1 115 . SER . 53742 1 116 . PHE . 53742 1 117 . ASP . 53742 1 118 . TYR . 53742 1 119 . ILE . 53742 1 120 . CYS . 53742 1 121 . GLN . 53742 1 122 . ALA . 53742 1 123 . LEU . 53742 1 124 . ARG . 53742 1 125 . GLN . 53742 1 126 . LEU . 53742 1 127 . ALA . 53742 1 128 . LEU . 53742 1 129 . GLU . 53742 1 130 . ALA . 53742 1 131 . LYS . 53742 1 132 . GLY . 53742 1 133 . GLU . 53742 1 134 . THR . 53742 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 53742 1 . SER 2 2 53742 1 . MET 3 3 53742 1 . ASP 4 4 53742 1 . ILE 5 5 53742 1 . SER 6 6 53742 1 . ASP 7 7 53742 1 . PHE 8 8 53742 1 . TYR 9 9 53742 1 . GLN 10 10 53742 1 . THR 11 11 53742 1 . PHE 12 12 53742 1 . PHE 13 13 53742 1 . ASP 14 14 53742 1 . GLU 15 15 53742 1 . ALA 16 16 53742 1 . ASP 17 17 53742 1 . GLU 18 18 53742 1 . LEU 19 19 53742 1 . LEU 20 20 53742 1 . ALA 21 21 53742 1 . ASP 22 22 53742 1 . MET 23 23 53742 1 . GLU 24 24 53742 1 . GLN 25 25 53742 1 . HIS 26 26 53742 1 . LEU 27 27 53742 1 . LEU 28 28 53742 1 . VAL 29 29 53742 1 . LEU 30 30 53742 1 . GLN 31 31 53742 1 . PRO 32 32 53742 1 . GLU 33 33 53742 1 . ALA 34 34 53742 1 . PRO 35 35 53742 1 . ASP 36 36 53742 1 . ALA 37 37 53742 1 . GLU 38 38 53742 1 . GLN 39 39 53742 1 . LEU 40 40 53742 1 . ASN 41 41 53742 1 . ALA 42 42 53742 1 . ILE 43 43 53742 1 . PHE 44 44 53742 1 . ARG 45 45 53742 1 . ALA 46 46 53742 1 . ALA 47 47 53742 1 . HIS 48 48 53742 1 . SER 49 49 53742 1 . ILE 50 50 53742 1 . LYS 51 51 53742 1 . GLY 52 52 53742 1 . GLY 53 53 53742 1 . ALA 54 54 53742 1 . GLY 55 55 53742 1 . THR 56 56 53742 1 . PHE 57 57 53742 1 . GLY 58 58 53742 1 . PHE 59 59 53742 1 . SER 60 60 53742 1 . VAL 61 61 53742 1 . LEU 62 62 53742 1 . GLN 63 63 53742 1 . GLU 64 64 53742 1 . THR 65 65 53742 1 . THR 66 66 53742 1 . HIS 67 67 53742 1 . LEU 68 68 53742 1 . MET 69 69 53742 1 . GLU 70 70 53742 1 . ASN 71 71 53742 1 . LEU 72 72 53742 1 . LEU 73 73 53742 1 . ASP 74 74 53742 1 . GLU 75 75 53742 1 . ALA 76 76 53742 1 . ARG 77 77 53742 1 . ARG 78 78 53742 1 . GLY 79 79 53742 1 . GLU 80 80 53742 1 . MET 81 81 53742 1 . GLN 82 82 53742 1 . LEU 83 83 53742 1 . ASN 84 84 53742 1 . THR 85 85 53742 1 . ASP 86 86 53742 1 . ILE 87 87 53742 1 . ILE 88 88 53742 1 . ASN 89 89 53742 1 . LEU 90 90 53742 1 . PHE 91 91 53742 1 . LEU 92 92 53742 1 . GLU 93 93 53742 1 . THR 94 94 53742 1 . LYS 95 95 53742 1 . ASP 96 96 53742 1 . ILE 97 97 53742 1 . MET 98 98 53742 1 . GLN 99 99 53742 1 . GLU 100 100 53742 1 . GLN 101 101 53742 1 . LEU 102 102 53742 1 . ASP 103 103 53742 1 . ALA 104 104 53742 1 . TYR 105 105 53742 1 . LYS 106 106 53742 1 . GLN 107 107 53742 1 . SER 108 108 53742 1 . GLN 109 109 53742 1 . GLU 110 110 53742 1 . PRO 111 111 53742 1 . ASP 112 112 53742 1 . ALA 113 113 53742 1 . ALA 114 114 53742 1 . SER 115 115 53742 1 . PHE 116 116 53742 1 . ASP 117 117 53742 1 . TYR 118 118 53742 1 . ILE 119 119 53742 1 . CYS 120 120 53742 1 . GLN 121 121 53742 1 . ALA 122 122 53742 1 . LEU 123 123 53742 1 . ARG 124 124 53742 1 . GLN 125 125 53742 1 . LEU 126 126 53742 1 . ALA 127 127 53742 1 . LEU 128 128 53742 1 . GLU 129 129 53742 1 . ALA 130 130 53742 1 . LYS 131 131 53742 1 . GLY 132 132 53742 1 . GLU 133 133 53742 1 . THR 134 134 53742 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53742 _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 . 53742 2 2 . SER . 53742 2 3 . THR . 53742 2 4 . SER . 53742 2 5 . ILE . 53742 2 6 . ARG . 53742 2 7 . VAL . 53742 2 8 . ALA . 53742 2 9 . VAL . 53742 2 10 . GLU . 53742 2 11 . LYS . 53742 2 12 . VAL . 53742 2 13 . ASP . 53742 2 14 . GLN . 53742 2 15 . LEU . 53742 2 16 . ILE . 53742 2 17 . ASN . 53742 2 18 . LEU . 53742 2 19 . VAL . 53742 2 20 . GLY . 53742 2 21 . GLU . 53742 2 22 . LEU . 53742 2 23 . VAL . 53742 2 24 . ILE . 53742 2 25 . THR . 53742 2 26 . GLN . 53742 2 27 . SER . 53742 2 28 . MET . 53742 2 29 . LEU . 53742 2 30 . ALA . 53742 2 31 . GLN . 53742 2 32 . ARG . 53742 2 33 . SER . 53742 2 34 . SER . 53742 2 35 . GLU . 53742 2 36 . LEU . 53742 2 37 . ASP . 53742 2 38 . PRO . 53742 2 39 . VAL . 53742 2 40 . ASN . 53742 2 41 . HIS . 53742 2 42 . GLY . 53742 2 43 . ASP . 53742 2 44 . LEU . 53742 2 45 . ILE . 53742 2 46 . THR . 53742 2 47 . SER . 53742 2 48 . MET . 53742 2 49 . GLY . 53742 2 50 . GLN . 53742 2 51 . LEU . 53742 2 52 . GLN . 53742 2 53 . ARG . 53742 2 54 . ASN . 53742 2 55 . ALA . 53742 2 56 . ARG . 53742 2 57 . ASP . 53742 2 58 . LEU . 53742 2 59 . GLN . 53742 2 60 . GLU . 53742 2 61 . SER . 53742 2 62 . VAL . 53742 2 63 . MET . 53742 2 64 . SER . 53742 2 65 . ILE . 53742 2 66 . ARG . 53742 2 67 . MET . 53742 2 68 . MET . 53742 2 69 . PRO . 53742 2 70 . MET . 53742 2 71 . GLU . 53742 2 72 . TYR . 53742 2 73 . VAL . 53742 2 74 . PHE . 53742 2 75 . SER . 53742 2 76 . ARG . 53742 2 77 . TYR . 53742 2 78 . PRO . 53742 2 79 . ARG . 53742 2 80 . LEU . 53742 2 81 . VAL . 53742 2 82 . ARG . 53742 2 83 . ASP . 53742 2 84 . LEU . 53742 2 85 . ALA . 53742 2 86 . GLY . 53742 2 87 . LYS . 53742 2 88 . LEU . 53742 2 89 . GLY . 53742 2 90 . LYS . 53742 2 91 . GLN . 53742 2 92 . VAL . 53742 2 93 . GLU . 53742 2 94 . LEU . 53742 2 95 . THR . 53742 2 96 . LEU . 53742 2 97 . VAL . 53742 2 98 . GLY . 53742 2 99 . SER . 53742 2 100 . SER . 53742 2 101 . THR . 53742 2 102 . GLU . 53742 2 103 . LEU . 53742 2 104 . ASP . 53742 2 105 . LYS . 53742 2 106 . SER . 53742 2 107 . LEU . 53742 2 108 . ILE . 53742 2 109 . GLU . 53742 2 110 . ARG . 53742 2 111 . ILE . 53742 2 112 . ILE . 53742 2 113 . ASP . 53742 2 114 . PRO . 53742 2 115 . LEU . 53742 2 116 . THR . 53742 2 117 . HIS . 53742 2 118 . LEU . 53742 2 119 . VAL . 53742 2 120 . ARG . 53742 2 121 . ASN . 53742 2 122 . SER . 53742 2 123 . LEU . 53742 2 124 . ASP . 53742 2 125 . HIS . 53742 2 126 . GLY . 53742 2 127 . ILE . 53742 2 128 . GLU . 53742 2 129 . LEU . 53742 2 130 . PRO . 53742 2 131 . GLU . 53742 2 132 . LYS . 53742 2 133 . ARG . 53742 2 134 . LEU . 53742 2 135 . ALA . 53742 2 136 . ALA . 53742 2 137 . GLY . 53742 2 138 . LYS . 53742 2 139 . ASN . 53742 2 140 . SER . 53742 2 141 . VAL . 53742 2 142 . GLY . 53742 2 143 . ASN . 53742 2 144 . LEU . 53742 2 145 . ILE . 53742 2 146 . LEU . 53742 2 147 . SER . 53742 2 148 . ALA . 53742 2 149 . GLU . 53742 2 150 . HIS . 53742 2 151 . GLN . 53742 2 152 . GLY . 53742 2 153 . GLY . 53742 2 154 . ASN . 53742 2 155 . ILE . 53742 2 156 . CYS . 53742 2 157 . ILE . 53742 2 158 . GLU . 53742 2 159 . VAL . 53742 2 160 . THR . 53742 2 161 . ASP . 53742 2 162 . ASP . 53742 2 163 . GLY . 53742 2 164 . ALA . 53742 2 165 . GLY . 53742 2 166 . LEU . 53742 2 167 . ASN . 53742 2 168 . ARG . 53742 2 169 . GLU . 53742 2 170 . ARG . 53742 2 171 . ILE . 53742 2 172 . LEU . 53742 2 173 . ALA . 53742 2 174 . LYS . 53742 2 175 . ALA . 53742 2 176 . ALA . 53742 2 177 . SER . 53742 2 178 . GLN . 53742 2 179 . GLY . 53742 2 180 . LEU . 53742 2 181 . THR . 53742 2 182 . VAL . 53742 2 183 . SER . 53742 2 184 . GLU . 53742 2 185 . ASN . 53742 2 186 . MET . 53742 2 187 . SER . 53742 2 188 . ASP . 53742 2 189 . ASP . 53742 2 190 . GLU . 53742 2 191 . VAL . 53742 2 192 . ALA . 53742 2 193 . MET . 53742 2 194 . LEU . 53742 2 195 . ILE . 53742 2 196 . PHE . 53742 2 197 . ALA . 53742 2 198 . PRO . 53742 2 199 . GLY . 53742 2 200 . PHE . 53742 2 201 . SER . 53742 2 202 . THR . 53742 2 203 . ALA . 53742 2 204 . GLU . 53742 2 205 . GLN . 53742 2 206 . VAL . 53742 2 207 . THR . 53742 2 208 . ASP . 53742 2 209 . VAL . 53742 2 210 . SER . 53742 2 211 . GLY . 53742 2 212 . ARG . 53742 2 213 . GLY . 53742 2 214 . VAL . 53742 2 215 . GLY . 53742 2 216 . MET . 53742 2 217 . ASP . 53742 2 218 . VAL . 53742 2 219 . VAL . 53742 2 220 . LYS . 53742 2 221 . ARG . 53742 2 222 . ASN . 53742 2 223 . ILE . 53742 2 224 . GLN . 53742 2 225 . LYS . 53742 2 226 . MET . 53742 2 227 . GLY . 53742 2 228 . GLY . 53742 2 229 . HIS . 53742 2 230 . VAL . 53742 2 231 . GLU . 53742 2 232 . ILE . 53742 2 233 . GLN . 53742 2 234 . SER . 53742 2 235 . LYS . 53742 2 236 . GLN . 53742 2 237 . GLY . 53742 2 238 . THR . 53742 2 239 . GLY . 53742 2 240 . THR . 53742 2 241 . THR . 53742 2 242 . ILE . 53742 2 243 . ARG . 53742 2 244 . ILE . 53742 2 245 . LEU . 53742 2 246 . LEU . 53742 2 247 . PRO . 53742 2 248 . LEU . 53742 2 249 . THR . 53742 2 250 . LEU . 53742 2 251 . ALA . 53742 2 252 . ILE . 53742 2 253 . LEU . 53742 2 254 . ASP . 53742 2 255 . GLY . 53742 2 256 . MET . 53742 2 257 . SER . 53742 2 258 . VAL . 53742 2 259 . ARG . 53742 2 260 . VAL . 53742 2 261 . ALA . 53742 2 262 . ASP . 53742 2 263 . GLU . 53742 2 264 . VAL . 53742 2 265 . PHE . 53742 2 266 . ILE . 53742 2 267 . LEU . 53742 2 268 . PRO . 53742 2 269 . LEU . 53742 2 270 . ASN . 53742 2 271 . ALA . 53742 2 272 . VAL . 53742 2 273 . MET . 53742 2 274 . GLU . 53742 2 275 . SER . 53742 2 276 . LEU . 53742 2 277 . GLN . 53742 2 278 . PRO . 53742 2 279 . ARG . 53742 2 280 . GLU . 53742 2 281 . ALA . 53742 2 282 . ASP . 53742 2 283 . LEU . 53742 2 284 . HIS . 53742 2 285 . PRO . 53742 2 286 . LEU . 53742 2 287 . ALA . 53742 2 288 . GLY . 53742 2 289 . GLY . 53742 2 290 . GLU . 53742 2 291 . ARG . 53742 2 292 . VAL . 53742 2 293 . LEU . 53742 2 294 . GLU . 53742 2 295 . VAL . 53742 2 296 . ARG . 53742 2 297 . GLY . 53742 2 298 . GLU . 53742 2 299 . TYR . 53742 2 300 . LEU . 53742 2 301 . PRO . 53742 2 302 . ILE . 53742 2 303 . VAL . 53742 2 304 . GLU . 53742 2 305 . LEU . 53742 2 306 . TRP . 53742 2 307 . LYS . 53742 2 308 . VAL . 53742 2 309 . PHE . 53742 2 310 . ASN . 53742 2 311 . VAL . 53742 2 312 . ALA . 53742 2 313 . GLY . 53742 2 314 . ALA . 53742 2 315 . LYS . 53742 2 316 . THR . 53742 2 317 . GLU . 53742 2 318 . ALA . 53742 2 319 . THR . 53742 2 320 . GLN . 53742 2 321 . GLY . 53742 2 322 . ILE . 53742 2 323 . VAL . 53742 2 324 . VAL . 53742 2 325 . ILE . 53742 2 326 . LEU . 53742 2 327 . GLN . 53742 2 328 . SER . 53742 2 329 . GLY . 53742 2 330 . GLY . 53742 2 331 . ARG . 53742 2 332 . ARG . 53742 2 333 . TYR . 53742 2 334 . ALA . 53742 2 335 . LEU . 53742 2 336 . LEU . 53742 2 337 . VAL . 53742 2 338 . ASP . 53742 2 339 . GLN . 53742 2 340 . LEU . 53742 2 341 . ILE . 53742 2 342 . GLY . 53742 2 343 . GLN . 53742 2 344 . HIS . 53742 2 345 . GLN . 53742 2 346 . VAL . 53742 2 347 . VAL . 53742 2 348 . VAL . 53742 2 349 . LYS . 53742 2 350 . ASN . 53742 2 351 . LEU . 53742 2 352 . GLU . 53742 2 353 . SER . 53742 2 354 . ASN . 53742 2 355 . TYR . 53742 2 356 . ARG . 53742 2 357 . LYS . 53742 2 358 . VAL . 53742 2 359 . PRO . 53742 2 360 . GLY . 53742 2 361 . ILE . 53742 2 362 . SER . 53742 2 363 . ALA . 53742 2 364 . ALA . 53742 2 365 . THR . 53742 2 366 . ILE . 53742 2 367 . LEU . 53742 2 368 . GLY . 53742 2 369 . ASP . 53742 2 370 . GLY . 53742 2 371 . SER . 53742 2 372 . VAL . 53742 2 373 . ALA . 53742 2 374 . LEU . 53742 2 375 . ILE . 53742 2 376 . VAL . 53742 2 377 . ASP . 53742 2 378 . VAL . 53742 2 379 . SER . 53742 2 380 . ALA . 53742 2 381 . LEU . 53742 2 382 . GLN . 53742 2 383 . ALA . 53742 2 384 . ILE . 53742 2 385 . ASN . 53742 2 386 . ARG . 53742 2 387 . GLU . 53742 2 388 . GLN . 53742 2 389 . ARG . 53742 2 390 . MET . 53742 2 391 . ALA . 53742 2 392 . ASN . 53742 2 393 . THR . 53742 2 394 . ALA . 53742 2 395 . ALA . 53742 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 53742 2 . SER 2 2 53742 2 . THR 3 3 53742 2 . SER 4 4 53742 2 . ILE 5 5 53742 2 . ARG 6 6 53742 2 . VAL 7 7 53742 2 . ALA 8 8 53742 2 . VAL 9 9 53742 2 . GLU 10 10 53742 2 . LYS 11 11 53742 2 . VAL 12 12 53742 2 . ASP 13 13 53742 2 . GLN 14 14 53742 2 . LEU 15 15 53742 2 . ILE 16 16 53742 2 . ASN 17 17 53742 2 . LEU 18 18 53742 2 . VAL 19 19 53742 2 . GLY 20 20 53742 2 . GLU 21 21 53742 2 . LEU 22 22 53742 2 . VAL 23 23 53742 2 . ILE 24 24 53742 2 . THR 25 25 53742 2 . GLN 26 26 53742 2 . SER 27 27 53742 2 . MET 28 28 53742 2 . LEU 29 29 53742 2 . ALA 30 30 53742 2 . GLN 31 31 53742 2 . ARG 32 32 53742 2 . SER 33 33 53742 2 . SER 34 34 53742 2 . GLU 35 35 53742 2 . LEU 36 36 53742 2 . ASP 37 37 53742 2 . PRO 38 38 53742 2 . VAL 39 39 53742 2 . ASN 40 40 53742 2 . HIS 41 41 53742 2 . GLY 42 42 53742 2 . ASP 43 43 53742 2 . LEU 44 44 53742 2 . ILE 45 45 53742 2 . THR 46 46 53742 2 . SER 47 47 53742 2 . MET 48 48 53742 2 . GLY 49 49 53742 2 . GLN 50 50 53742 2 . LEU 51 51 53742 2 . GLN 52 52 53742 2 . ARG 53 53 53742 2 . ASN 54 54 53742 2 . ALA 55 55 53742 2 . ARG 56 56 53742 2 . ASP 57 57 53742 2 . LEU 58 58 53742 2 . GLN 59 59 53742 2 . GLU 60 60 53742 2 . SER 61 61 53742 2 . VAL 62 62 53742 2 . MET 63 63 53742 2 . SER 64 64 53742 2 . ILE 65 65 53742 2 . ARG 66 66 53742 2 . MET 67 67 53742 2 . MET 68 68 53742 2 . PRO 69 69 53742 2 . MET 70 70 53742 2 . GLU 71 71 53742 2 . TYR 72 72 53742 2 . VAL 73 73 53742 2 . PHE 74 74 53742 2 . SER 75 75 53742 2 . ARG 76 76 53742 2 . TYR 77 77 53742 2 . PRO 78 78 53742 2 . ARG 79 79 53742 2 . LEU 80 80 53742 2 . VAL 81 81 53742 2 . ARG 82 82 53742 2 . ASP 83 83 53742 2 . LEU 84 84 53742 2 . ALA 85 85 53742 2 . GLY 86 86 53742 2 . LYS 87 87 53742 2 . LEU 88 88 53742 2 . GLY 89 89 53742 2 . LYS 90 90 53742 2 . GLN 91 91 53742 2 . VAL 92 92 53742 2 . GLU 93 93 53742 2 . LEU 94 94 53742 2 . THR 95 95 53742 2 . LEU 96 96 53742 2 . VAL 97 97 53742 2 . GLY 98 98 53742 2 . SER 99 99 53742 2 . SER 100 100 53742 2 . THR 101 101 53742 2 . GLU 102 102 53742 2 . LEU 103 103 53742 2 . ASP 104 104 53742 2 . LYS 105 105 53742 2 . SER 106 106 53742 2 . LEU 107 107 53742 2 . ILE 108 108 53742 2 . GLU 109 109 53742 2 . ARG 110 110 53742 2 . ILE 111 111 53742 2 . ILE 112 112 53742 2 . ASP 113 113 53742 2 . PRO 114 114 53742 2 . LEU 115 115 53742 2 . THR 116 116 53742 2 . HIS 117 117 53742 2 . LEU 118 118 53742 2 . VAL 119 119 53742 2 . ARG 120 120 53742 2 . ASN 121 121 53742 2 . SER 122 122 53742 2 . LEU 123 123 53742 2 . ASP 124 124 53742 2 . HIS 125 125 53742 2 . GLY 126 126 53742 2 . ILE 127 127 53742 2 . GLU 128 128 53742 2 . LEU 129 129 53742 2 . PRO 130 130 53742 2 . GLU 131 131 53742 2 . LYS 132 132 53742 2 . ARG 133 133 53742 2 . LEU 134 134 53742 2 . ALA 135 135 53742 2 . ALA 136 136 53742 2 . GLY 137 137 53742 2 . LYS 138 138 53742 2 . ASN 139 139 53742 2 . SER 140 140 53742 2 . VAL 141 141 53742 2 . GLY 142 142 53742 2 . ASN 143 143 53742 2 . LEU 144 144 53742 2 . ILE 145 145 53742 2 . LEU 146 146 53742 2 . SER 147 147 53742 2 . ALA 148 148 53742 2 . GLU 149 149 53742 2 . HIS 150 150 53742 2 . GLN 151 151 53742 2 . GLY 152 152 53742 2 . GLY 153 153 53742 2 . ASN 154 154 53742 2 . ILE 155 155 53742 2 . CYS 156 156 53742 2 . ILE 157 157 53742 2 . GLU 158 158 53742 2 . VAL 159 159 53742 2 . THR 160 160 53742 2 . ASP 161 161 53742 2 . ASP 162 162 53742 2 . GLY 163 163 53742 2 . ALA 164 164 53742 2 . GLY 165 165 53742 2 . LEU 166 166 53742 2 . ASN 167 167 53742 2 . ARG 168 168 53742 2 . GLU 169 169 53742 2 . ARG 170 170 53742 2 . ILE 171 171 53742 2 . LEU 172 172 53742 2 . ALA 173 173 53742 2 . LYS 174 174 53742 2 . ALA 175 175 53742 2 . ALA 176 176 53742 2 . SER 177 177 53742 2 . GLN 178 178 53742 2 . GLY 179 179 53742 2 . LEU 180 180 53742 2 . THR 181 181 53742 2 . VAL 182 182 53742 2 . SER 183 183 53742 2 . GLU 184 184 53742 2 . ASN 185 185 53742 2 . MET 186 186 53742 2 . SER 187 187 53742 2 . ASP 188 188 53742 2 . ASP 189 189 53742 2 . GLU 190 190 53742 2 . VAL 191 191 53742 2 . ALA 192 192 53742 2 . MET 193 193 53742 2 . LEU 194 194 53742 2 . ILE 195 195 53742 2 . PHE 196 196 53742 2 . ALA 197 197 53742 2 . PRO 198 198 53742 2 . GLY 199 199 53742 2 . PHE 200 200 53742 2 . SER 201 201 53742 2 . THR 202 202 53742 2 . ALA 203 203 53742 2 . GLU 204 204 53742 2 . GLN 205 205 53742 2 . VAL 206 206 53742 2 . THR 207 207 53742 2 . ASP 208 208 53742 2 . VAL 209 209 53742 2 . SER 210 210 53742 2 . GLY 211 211 53742 2 . ARG 212 212 53742 2 . GLY 213 213 53742 2 . VAL 214 214 53742 2 . GLY 215 215 53742 2 . MET 216 216 53742 2 . ASP 217 217 53742 2 . VAL 218 218 53742 2 . VAL 219 219 53742 2 . LYS 220 220 53742 2 . ARG 221 221 53742 2 . ASN 222 222 53742 2 . ILE 223 223 53742 2 . GLN 224 224 53742 2 . LYS 225 225 53742 2 . MET 226 226 53742 2 . GLY 227 227 53742 2 . GLY 228 228 53742 2 . HIS 229 229 53742 2 . VAL 230 230 53742 2 . GLU 231 231 53742 2 . ILE 232 232 53742 2 . GLN 233 233 53742 2 . SER 234 234 53742 2 . LYS 235 235 53742 2 . GLN 236 236 53742 2 . GLY 237 237 53742 2 . THR 238 238 53742 2 . GLY 239 239 53742 2 . THR 240 240 53742 2 . THR 241 241 53742 2 . ILE 242 242 53742 2 . ARG 243 243 53742 2 . ILE 244 244 53742 2 . LEU 245 245 53742 2 . LEU 246 246 53742 2 . PRO 247 247 53742 2 . LEU 248 248 53742 2 . THR 249 249 53742 2 . LEU 250 250 53742 2 . ALA 251 251 53742 2 . ILE 252 252 53742 2 . LEU 253 253 53742 2 . ASP 254 254 53742 2 . GLY 255 255 53742 2 . MET 256 256 53742 2 . SER 257 257 53742 2 . VAL 258 258 53742 2 . ARG 259 259 53742 2 . VAL 260 260 53742 2 . ALA 261 261 53742 2 . ASP 262 262 53742 2 . GLU 263 263 53742 2 . VAL 264 264 53742 2 . PHE 265 265 53742 2 . ILE 266 266 53742 2 . LEU 267 267 53742 2 . PRO 268 268 53742 2 . LEU 269 269 53742 2 . ASN 270 270 53742 2 . ALA 271 271 53742 2 . VAL 272 272 53742 2 . MET 273 273 53742 2 . GLU 274 274 53742 2 . SER 275 275 53742 2 . LEU 276 276 53742 2 . GLN 277 277 53742 2 . PRO 278 278 53742 2 . ARG 279 279 53742 2 . GLU 280 280 53742 2 . ALA 281 281 53742 2 . ASP 282 282 53742 2 . LEU 283 283 53742 2 . HIS 284 284 53742 2 . PRO 285 285 53742 2 . LEU 286 286 53742 2 . ALA 287 287 53742 2 . GLY 288 288 53742 2 . GLY 289 289 53742 2 . GLU 290 290 53742 2 . ARG 291 291 53742 2 . VAL 292 292 53742 2 . LEU 293 293 53742 2 . GLU 294 294 53742 2 . VAL 295 295 53742 2 . ARG 296 296 53742 2 . GLY 297 297 53742 2 . GLU 298 298 53742 2 . TYR 299 299 53742 2 . LEU 300 300 53742 2 . PRO 301 301 53742 2 . ILE 302 302 53742 2 . VAL 303 303 53742 2 . GLU 304 304 53742 2 . LEU 305 305 53742 2 . TRP 306 306 53742 2 . LYS 307 307 53742 2 . VAL 308 308 53742 2 . PHE 309 309 53742 2 . ASN 310 310 53742 2 . VAL 311 311 53742 2 . ALA 312 312 53742 2 . GLY 313 313 53742 2 . ALA 314 314 53742 2 . LYS 315 315 53742 2 . THR 316 316 53742 2 . GLU 317 317 53742 2 . ALA 318 318 53742 2 . THR 319 319 53742 2 . GLN 320 320 53742 2 . GLY 321 321 53742 2 . ILE 322 322 53742 2 . VAL 323 323 53742 2 . VAL 324 324 53742 2 . ILE 325 325 53742 2 . LEU 326 326 53742 2 . GLN 327 327 53742 2 . SER 328 328 53742 2 . GLY 329 329 53742 2 . GLY 330 330 53742 2 . ARG 331 331 53742 2 . ARG 332 332 53742 2 . TYR 333 333 53742 2 . ALA 334 334 53742 2 . LEU 335 335 53742 2 . LEU 336 336 53742 2 . VAL 337 337 53742 2 . ASP 338 338 53742 2 . GLN 339 339 53742 2 . LEU 340 340 53742 2 . ILE 341 341 53742 2 . GLY 342 342 53742 2 . GLN 343 343 53742 2 . HIS 344 344 53742 2 . GLN 345 345 53742 2 . VAL 346 346 53742 2 . VAL 347 347 53742 2 . VAL 348 348 53742 2 . LYS 349 349 53742 2 . ASN 350 350 53742 2 . LEU 351 351 53742 2 . GLU 352 352 53742 2 . SER 353 353 53742 2 . ASN 354 354 53742 2 . TYR 355 355 53742 2 . ARG 356 356 53742 2 . LYS 357 357 53742 2 . VAL 358 358 53742 2 . PRO 359 359 53742 2 . GLY 360 360 53742 2 . ILE 361 361 53742 2 . SER 362 362 53742 2 . ALA 363 363 53742 2 . ALA 364 364 53742 2 . THR 365 365 53742 2 . ILE 366 366 53742 2 . LEU 367 367 53742 2 . GLY 368 368 53742 2 . ASP 369 369 53742 2 . GLY 370 370 53742 2 . SER 371 371 53742 2 . VAL 372 372 53742 2 . ALA 373 373 53742 2 . LEU 374 374 53742 2 . ILE 375 375 53742 2 . VAL 376 376 53742 2 . ASP 377 377 53742 2 . VAL 378 378 53742 2 . SER 379 379 53742 2 . ALA 380 380 53742 2 . LEU 381 381 53742 2 . GLN 382 382 53742 2 . ALA 383 383 53742 2 . ILE 384 384 53742 2 . ASN 385 385 53742 2 . ARG 386 386 53742 2 . GLU 387 387 53742 2 . GLN 388 388 53742 2 . ARG 389 389 53742 2 . MET 390 390 53742 2 . ALA 391 391 53742 2 . ASN 392 392 53742 2 . THR 393 393 53742 2 . ALA 394 394 53742 2 . ALA 395 395 53742 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 53742 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; MRGSHHHHHHGSPMQRSLTD TVTHVREGSDAIYAGTREIA AGNTDLSSRTEEQASALEET AASMEELTATVKQNADNARQ ASQLAQSASDTAQHGGKVVD GVVKTMHEIADSSKKIADII SVIDGIAFQTNILALNAAVE AARAGEQGRGFAVVAGEVRN LASRSAQAAKEIKALIEDSV SRVDTGSVLVESAGETMNNI VNAVTRVTDIMGEIASASDE QSRGIDQVALAVSEMDRVTQ QNASLVQESAAAAAALEEQA SRLTQAVSAFRLAASPLTNK PQTPSRPASEQPPAQPRLRI AEQDPNWETF ; _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 310 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 32700 _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 . 53742 3 2 . ARG . 53742 3 3 . GLY . 53742 3 4 . SER . 53742 3 5 . HIS . 53742 3 6 . HIS . 53742 3 7 . HIS . 53742 3 8 . HIS . 53742 3 9 . HIS . 53742 3 10 . HIS . 53742 3 11 . GLY . 53742 3 12 . SER . 53742 3 13 . PRO . 53742 3 14 . MET . 53742 3 15 . GLN . 53742 3 16 . ARG . 53742 3 17 . SER . 53742 3 18 . LEU . 53742 3 19 . THR . 53742 3 20 . ASP . 53742 3 21 . THR . 53742 3 22 . VAL . 53742 3 23 . THR . 53742 3 24 . HIS . 53742 3 25 . VAL . 53742 3 26 . ARG . 53742 3 27 . GLU . 53742 3 28 . GLY . 53742 3 29 . SER . 53742 3 30 . ASP . 53742 3 31 . ALA . 53742 3 32 . ILE . 53742 3 33 . TYR . 53742 3 34 . ALA . 53742 3 35 . GLY . 53742 3 36 . THR . 53742 3 37 . ARG . 53742 3 38 . GLU . 53742 3 39 . ILE . 53742 3 40 . ALA . 53742 3 41 . ALA . 53742 3 42 . GLY . 53742 3 43 . ASN . 53742 3 44 . THR . 53742 3 45 . ASP . 53742 3 46 . LEU . 53742 3 47 . SER . 53742 3 48 . SER . 53742 3 49 . ARG . 53742 3 50 . THR . 53742 3 51 . GLU . 53742 3 52 . GLU . 53742 3 53 . GLN . 53742 3 54 . ALA . 53742 3 55 . SER . 53742 3 56 . ALA . 53742 3 57 . LEU . 53742 3 58 . GLU . 53742 3 59 . GLU . 53742 3 60 . THR . 53742 3 61 . ALA . 53742 3 62 . ALA . 53742 3 63 . SER . 53742 3 64 . MET . 53742 3 65 . GLU . 53742 3 66 . GLU . 53742 3 67 . LEU . 53742 3 68 . THR . 53742 3 69 . ALA . 53742 3 70 . THR . 53742 3 71 . VAL . 53742 3 72 . LYS . 53742 3 73 . GLN . 53742 3 74 . ASN . 53742 3 75 . ALA . 53742 3 76 . ASP . 53742 3 77 . ASN . 53742 3 78 . ALA . 53742 3 79 . ARG . 53742 3 80 . GLN . 53742 3 81 . ALA . 53742 3 82 . SER . 53742 3 83 . GLN . 53742 3 84 . LEU . 53742 3 85 . ALA . 53742 3 86 . GLN . 53742 3 87 . SER . 53742 3 88 . ALA . 53742 3 89 . SER . 53742 3 90 . ASP . 53742 3 91 . THR . 53742 3 92 . ALA . 53742 3 93 . GLN . 53742 3 94 . HIS . 53742 3 95 . GLY . 53742 3 96 . GLY . 53742 3 97 . LYS . 53742 3 98 . VAL . 53742 3 99 . VAL . 53742 3 100 . ASP . 53742 3 101 . GLY . 53742 3 102 . VAL . 53742 3 103 . VAL . 53742 3 104 . LYS . 53742 3 105 . THR . 53742 3 106 . MET . 53742 3 107 . HIS . 53742 3 108 . GLU . 53742 3 109 . ILE . 53742 3 110 . ALA . 53742 3 111 . ASP . 53742 3 112 . SER . 53742 3 113 . SER . 53742 3 114 . LYS . 53742 3 115 . LYS . 53742 3 116 . ILE . 53742 3 117 . ALA . 53742 3 118 . ASP . 53742 3 119 . ILE . 53742 3 120 . ILE . 53742 3 121 . SER . 53742 3 122 . VAL . 53742 3 123 . ILE . 53742 3 124 . ASP . 53742 3 125 . GLY . 53742 3 126 . ILE . 53742 3 127 . ALA . 53742 3 128 . PHE . 53742 3 129 . GLN . 53742 3 130 . THR . 53742 3 131 . ASN . 53742 3 132 . ILE . 53742 3 133 . LEU . 53742 3 134 . ALA . 53742 3 135 . LEU . 53742 3 136 . ASN . 53742 3 137 . ALA . 53742 3 138 . ALA . 53742 3 139 . VAL . 53742 3 140 . GLU . 53742 3 141 . ALA . 53742 3 142 . ALA . 53742 3 143 . ARG . 53742 3 144 . ALA . 53742 3 145 . GLY . 53742 3 146 . GLU . 53742 3 147 . GLN . 53742 3 148 . GLY . 53742 3 149 . ARG . 53742 3 150 . GLY . 53742 3 151 . PHE . 53742 3 152 . ALA . 53742 3 153 . VAL . 53742 3 154 . VAL . 53742 3 155 . ALA . 53742 3 156 . GLY . 53742 3 157 . GLU . 53742 3 158 . VAL . 53742 3 159 . ARG . 53742 3 160 . ASN . 53742 3 161 . LEU . 53742 3 162 . ALA . 53742 3 163 . SER . 53742 3 164 . ARG . 53742 3 165 . SER . 53742 3 166 . ALA . 53742 3 167 . GLN . 53742 3 168 . ALA . 53742 3 169 . ALA . 53742 3 170 . LYS . 53742 3 171 . GLU . 53742 3 172 . ILE . 53742 3 173 . LYS . 53742 3 174 . ALA . 53742 3 175 . LEU . 53742 3 176 . ILE . 53742 3 177 . GLU . 53742 3 178 . ASP . 53742 3 179 . SER . 53742 3 180 . VAL . 53742 3 181 . SER . 53742 3 182 . ARG . 53742 3 183 . VAL . 53742 3 184 . ASP . 53742 3 185 . THR . 53742 3 186 . GLY . 53742 3 187 . SER . 53742 3 188 . VAL . 53742 3 189 . LEU . 53742 3 190 . VAL . 53742 3 191 . GLU . 53742 3 192 . SER . 53742 3 193 . ALA . 53742 3 194 . GLY . 53742 3 195 . GLU . 53742 3 196 . THR . 53742 3 197 . MET . 53742 3 198 . ASN . 53742 3 199 . ASN . 53742 3 200 . ILE . 53742 3 201 . VAL . 53742 3 202 . ASN . 53742 3 203 . ALA . 53742 3 204 . VAL . 53742 3 205 . THR . 53742 3 206 . ARG . 53742 3 207 . VAL . 53742 3 208 . THR . 53742 3 209 . ASP . 53742 3 210 . ILE . 53742 3 211 . MET . 53742 3 212 . GLY . 53742 3 213 . GLU . 53742 3 214 . ILE . 53742 3 215 . ALA . 53742 3 216 . SER . 53742 3 217 . ALA . 53742 3 218 . SER . 53742 3 219 . ASP . 53742 3 220 . GLU . 53742 3 221 . GLN . 53742 3 222 . SER . 53742 3 223 . ARG . 53742 3 224 . GLY . 53742 3 225 . ILE . 53742 3 226 . ASP . 53742 3 227 . GLN . 53742 3 228 . VAL . 53742 3 229 . ALA . 53742 3 230 . LEU . 53742 3 231 . ALA . 53742 3 232 . VAL . 53742 3 233 . SER . 53742 3 234 . GLU . 53742 3 235 . MET . 53742 3 236 . ASP . 53742 3 237 . ARG . 53742 3 238 . VAL . 53742 3 239 . THR . 53742 3 240 . GLN . 53742 3 241 . GLN . 53742 3 242 . ASN . 53742 3 243 . ALA . 53742 3 244 . SER . 53742 3 245 . LEU . 53742 3 246 . VAL . 53742 3 247 . GLN . 53742 3 248 . GLU . 53742 3 249 . SER . 53742 3 250 . ALA . 53742 3 251 . ALA . 53742 3 252 . ALA . 53742 3 253 . ALA . 53742 3 254 . ALA . 53742 3 255 . ALA . 53742 3 256 . LEU . 53742 3 257 . GLU . 53742 3 258 . GLU . 53742 3 259 . GLN . 53742 3 260 . ALA . 53742 3 261 . SER . 53742 3 262 . ARG . 53742 3 263 . LEU . 53742 3 264 . THR . 53742 3 265 . GLN . 53742 3 266 . ALA . 53742 3 267 . VAL . 53742 3 268 . SER . 53742 3 269 . ALA . 53742 3 270 . PHE . 53742 3 271 . ARG . 53742 3 272 . LEU . 53742 3 273 . ALA . 53742 3 274 . ALA . 53742 3 275 . SER . 53742 3 276 . PRO . 53742 3 277 . LEU . 53742 3 278 . THR . 53742 3 279 . ASN . 53742 3 280 . LYS . 53742 3 281 . PRO . 53742 3 282 . GLN . 53742 3 283 . THR . 53742 3 284 . PRO . 53742 3 285 . SER . 53742 3 286 . ARG . 53742 3 287 . PRO . 53742 3 288 . ALA . 53742 3 289 . SER . 53742 3 290 . GLU . 53742 3 291 . GLN . 53742 3 292 . PRO . 53742 3 293 . PRO . 53742 3 294 . ALA . 53742 3 295 . GLN . 53742 3 296 . PRO . 53742 3 297 . ARG . 53742 3 298 . LEU . 53742 3 299 . ARG . 53742 3 300 . ILE . 53742 3 301 . ALA . 53742 3 302 . GLU . 53742 3 303 . GLN . 53742 3 304 . ASP . 53742 3 305 . PRO . 53742 3 306 . ASN . 53742 3 307 . TRP . 53742 3 308 . GLU . 53742 3 309 . THR . 53742 3 310 . PHE . 53742 3 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 53742 3 . ARG 2 2 53742 3 . GLY 3 3 53742 3 . SER 4 4 53742 3 . HIS 5 5 53742 3 . HIS 6 6 53742 3 . HIS 7 7 53742 3 . HIS 8 8 53742 3 . HIS 9 9 53742 3 . HIS 10 10 53742 3 . GLY 11 11 53742 3 . SER 12 12 53742 3 . PRO 13 13 53742 3 . MET 14 14 53742 3 . GLN 15 15 53742 3 . ARG 16 16 53742 3 . SER 17 17 53742 3 . LEU 18 18 53742 3 . THR 19 19 53742 3 . ASP 20 20 53742 3 . THR 21 21 53742 3 . VAL 22 22 53742 3 . THR 23 23 53742 3 . HIS 24 24 53742 3 . VAL 25 25 53742 3 . ARG 26 26 53742 3 . GLU 27 27 53742 3 . GLY 28 28 53742 3 . SER 29 29 53742 3 . ASP 30 30 53742 3 . ALA 31 31 53742 3 . ILE 32 32 53742 3 . TYR 33 33 53742 3 . ALA 34 34 53742 3 . GLY 35 35 53742 3 . THR 36 36 53742 3 . ARG 37 37 53742 3 . GLU 38 38 53742 3 . ILE 39 39 53742 3 . ALA 40 40 53742 3 . ALA 41 41 53742 3 . GLY 42 42 53742 3 . ASN 43 43 53742 3 . THR 44 44 53742 3 . ASP 45 45 53742 3 . LEU 46 46 53742 3 . SER 47 47 53742 3 . SER 48 48 53742 3 . ARG 49 49 53742 3 . THR 50 50 53742 3 . GLU 51 51 53742 3 . GLU 52 52 53742 3 . GLN 53 53 53742 3 . ALA 54 54 53742 3 . SER 55 55 53742 3 . ALA 56 56 53742 3 . LEU 57 57 53742 3 . GLU 58 58 53742 3 . GLU 59 59 53742 3 . THR 60 60 53742 3 . ALA 61 61 53742 3 . ALA 62 62 53742 3 . SER 63 63 53742 3 . MET 64 64 53742 3 . GLU 65 65 53742 3 . GLU 66 66 53742 3 . LEU 67 67 53742 3 . THR 68 68 53742 3 . ALA 69 69 53742 3 . THR 70 70 53742 3 . VAL 71 71 53742 3 . LYS 72 72 53742 3 . GLN 73 73 53742 3 . ASN 74 74 53742 3 . ALA 75 75 53742 3 . ASP 76 76 53742 3 . ASN 77 77 53742 3 . ALA 78 78 53742 3 . ARG 79 79 53742 3 . GLN 80 80 53742 3 . ALA 81 81 53742 3 . SER 82 82 53742 3 . GLN 83 83 53742 3 . LEU 84 84 53742 3 . ALA 85 85 53742 3 . GLN 86 86 53742 3 . SER 87 87 53742 3 . ALA 88 88 53742 3 . SER 89 89 53742 3 . ASP 90 90 53742 3 . THR 91 91 53742 3 . ALA 92 92 53742 3 . GLN 93 93 53742 3 . HIS 94 94 53742 3 . GLY 95 95 53742 3 . GLY 96 96 53742 3 . LYS 97 97 53742 3 . VAL 98 98 53742 3 . VAL 99 99 53742 3 . ASP 100 100 53742 3 . GLY 101 101 53742 3 . VAL 102 102 53742 3 . VAL 103 103 53742 3 . LYS 104 104 53742 3 . THR 105 105 53742 3 . MET 106 106 53742 3 . HIS 107 107 53742 3 . GLU 108 108 53742 3 . ILE 109 109 53742 3 . ALA 110 110 53742 3 . ASP 111 111 53742 3 . SER 112 112 53742 3 . SER 113 113 53742 3 . LYS 114 114 53742 3 . LYS 115 115 53742 3 . ILE 116 116 53742 3 . ALA 117 117 53742 3 . ASP 118 118 53742 3 . ILE 119 119 53742 3 . ILE 120 120 53742 3 . SER 121 121 53742 3 . VAL 122 122 53742 3 . ILE 123 123 53742 3 . ASP 124 124 53742 3 . GLY 125 125 53742 3 . ILE 126 126 53742 3 . ALA 127 127 53742 3 . PHE 128 128 53742 3 . GLN 129 129 53742 3 . THR 130 130 53742 3 . ASN 131 131 53742 3 . ILE 132 132 53742 3 . LEU 133 133 53742 3 . ALA 134 134 53742 3 . LEU 135 135 53742 3 . ASN 136 136 53742 3 . ALA 137 137 53742 3 . ALA 138 138 53742 3 . VAL 139 139 53742 3 . GLU 140 140 53742 3 . ALA 141 141 53742 3 . ALA 142 142 53742 3 . ARG 143 143 53742 3 . ALA 144 144 53742 3 . GLY 145 145 53742 3 . GLU 146 146 53742 3 . GLN 147 147 53742 3 . GLY 148 148 53742 3 . ARG 149 149 53742 3 . GLY 150 150 53742 3 . PHE 151 151 53742 3 . ALA 152 152 53742 3 . VAL 153 153 53742 3 . VAL 154 154 53742 3 . ALA 155 155 53742 3 . GLY 156 156 53742 3 . GLU 157 157 53742 3 . VAL 158 158 53742 3 . ARG 159 159 53742 3 . ASN 160 160 53742 3 . LEU 161 161 53742 3 . ALA 162 162 53742 3 . SER 163 163 53742 3 . ARG 164 164 53742 3 . SER 165 165 53742 3 . ALA 166 166 53742 3 . GLN 167 167 53742 3 . ALA 168 168 53742 3 . ALA 169 169 53742 3 . LYS 170 170 53742 3 . GLU 171 171 53742 3 . ILE 172 172 53742 3 . LYS 173 173 53742 3 . ALA 174 174 53742 3 . LEU 175 175 53742 3 . ILE 176 176 53742 3 . GLU 177 177 53742 3 . ASP 178 178 53742 3 . SER 179 179 53742 3 . VAL 180 180 53742 3 . SER 181 181 53742 3 . ARG 182 182 53742 3 . VAL 183 183 53742 3 . ASP 184 184 53742 3 . THR 185 185 53742 3 . GLY 186 186 53742 3 . SER 187 187 53742 3 . VAL 188 188 53742 3 . LEU 189 189 53742 3 . VAL 190 190 53742 3 . GLU 191 191 53742 3 . SER 192 192 53742 3 . ALA 193 193 53742 3 . GLY 194 194 53742 3 . GLU 195 195 53742 3 . THR 196 196 53742 3 . MET 197 197 53742 3 . ASN 198 198 53742 3 . ASN 199 199 53742 3 . ILE 200 200 53742 3 . VAL 201 201 53742 3 . ASN 202 202 53742 3 . ALA 203 203 53742 3 . VAL 204 204 53742 3 . THR 205 205 53742 3 . ARG 206 206 53742 3 . VAL 207 207 53742 3 . THR 208 208 53742 3 . ASP 209 209 53742 3 . ILE 210 210 53742 3 . MET 211 211 53742 3 . GLY 212 212 53742 3 . GLU 213 213 53742 3 . ILE 214 214 53742 3 . ALA 215 215 53742 3 . SER 216 216 53742 3 . ALA 217 217 53742 3 . SER 218 218 53742 3 . ASP 219 219 53742 3 . GLU 220 220 53742 3 . GLN 221 221 53742 3 . SER 222 222 53742 3 . ARG 223 223 53742 3 . GLY 224 224 53742 3 . ILE 225 225 53742 3 . ASP 226 226 53742 3 . GLN 227 227 53742 3 . VAL 228 228 53742 3 . ALA 229 229 53742 3 . LEU 230 230 53742 3 . ALA 231 231 53742 3 . VAL 232 232 53742 3 . SER 233 233 53742 3 . GLU 234 234 53742 3 . MET 235 235 53742 3 . ASP 236 236 53742 3 . ARG 237 237 53742 3 . VAL 238 238 53742 3 . THR 239 239 53742 3 . GLN 240 240 53742 3 . GLN 241 241 53742 3 . ASN 242 242 53742 3 . ALA 243 243 53742 3 . SER 244 244 53742 3 . LEU 245 245 53742 3 . VAL 246 246 53742 3 . GLN 247 247 53742 3 . GLU 248 248 53742 3 . SER 249 249 53742 3 . ALA 250 250 53742 3 . ALA 251 251 53742 3 . ALA 252 252 53742 3 . ALA 253 253 53742 3 . ALA 254 254 53742 3 . ALA 255 255 53742 3 . LEU 256 256 53742 3 . GLU 257 257 53742 3 . GLU 258 258 53742 3 . GLN 259 259 53742 3 . ALA 260 260 53742 3 . SER 261 261 53742 3 . ARG 262 262 53742 3 . LEU 263 263 53742 3 . THR 264 264 53742 3 . GLN 265 265 53742 3 . ALA 266 266 53742 3 . VAL 267 267 53742 3 . SER 268 268 53742 3 . ALA 269 269 53742 3 . PHE 270 270 53742 3 . ARG 271 271 53742 3 . LEU 272 272 53742 3 . ALA 273 273 53742 3 . ALA 274 274 53742 3 . SER 275 275 53742 3 . PRO 276 276 53742 3 . LEU 277 277 53742 3 . THR 278 278 53742 3 . ASN 279 279 53742 3 . LYS 280 280 53742 3 . PRO 281 281 53742 3 . GLN 282 282 53742 3 . THR 283 283 53742 3 . PRO 284 284 53742 3 . SER 285 285 53742 3 . ARG 286 286 53742 3 . PRO 287 287 53742 3 . ALA 288 288 53742 3 . SER 289 289 53742 3 . GLU 290 290 53742 3 . GLN 291 291 53742 3 . PRO 292 292 53742 3 . PRO 293 293 53742 3 . ALA 294 294 53742 3 . GLN 295 295 53742 3 . PRO 296 296 53742 3 . ARG 297 297 53742 3 . LEU 298 298 53742 3 . ARG 299 299 53742 3 . ILE 300 300 53742 3 . ALA 301 301 53742 3 . GLU 302 302 53742 3 . GLN 303 303 53742 3 . ASP 304 304 53742 3 . PRO 305 305 53742 3 . ASN 306 306 53742 3 . TRP 307 307 53742 3 . GLU 308 308 53742 3 . THR 309 309 53742 3 . PHE 310 310 53742 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 53742 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _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 ; MTNVTKLASEPSGQEFLVFT LGDEEYGIDILKVQEIRGYD QVTRIANTPAFIKGVTNLRG VIVPIVDLRIKFSQVDVDYN DNTVVIVLNLGQRVVGIVVD GVSDVLSLTAEQIRPAPEFA VTLSTEYLTGLGALGDRMLI LVNIEKLLNSEEMALLDSAA SEVA ; _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17800 _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 . 53742 4 2 . THR . 53742 4 3 . ASN . 53742 4 4 . VAL . 53742 4 5 . THR . 53742 4 6 . LYS . 53742 4 7 . LEU . 53742 4 8 . ALA . 53742 4 9 . SER . 53742 4 10 . GLU . 53742 4 11 . PRO . 53742 4 12 . SER . 53742 4 13 . GLY . 53742 4 14 . GLN . 53742 4 15 . GLU . 53742 4 16 . PHE . 53742 4 17 . LEU . 53742 4 18 . VAL . 53742 4 19 . PHE . 53742 4 20 . THR . 53742 4 21 . LEU . 53742 4 22 . GLY . 53742 4 23 . ASP . 53742 4 24 . GLU . 53742 4 25 . GLU . 53742 4 26 . TYR . 53742 4 27 . GLY . 53742 4 28 . ILE . 53742 4 29 . ASP . 53742 4 30 . ILE . 53742 4 31 . LEU . 53742 4 32 . LYS . 53742 4 33 . VAL . 53742 4 34 . GLN . 53742 4 35 . GLU . 53742 4 36 . ILE . 53742 4 37 . ARG . 53742 4 38 . GLY . 53742 4 39 . TYR . 53742 4 40 . ASP . 53742 4 41 . GLN . 53742 4 42 . VAL . 53742 4 43 . THR . 53742 4 44 . ARG . 53742 4 45 . ILE . 53742 4 46 . ALA . 53742 4 47 . ASN . 53742 4 48 . THR . 53742 4 49 . PRO . 53742 4 50 . ALA . 53742 4 51 . PHE . 53742 4 52 . ILE . 53742 4 53 . LYS . 53742 4 54 . GLY . 53742 4 55 . VAL . 53742 4 56 . THR . 53742 4 57 . ASN . 53742 4 58 . LEU . 53742 4 59 . ARG . 53742 4 60 . GLY . 53742 4 61 . VAL . 53742 4 62 . ILE . 53742 4 63 . VAL . 53742 4 64 . PRO . 53742 4 65 . ILE . 53742 4 66 . VAL . 53742 4 67 . ASP . 53742 4 68 . LEU . 53742 4 69 . ARG . 53742 4 70 . ILE . 53742 4 71 . LYS . 53742 4 72 . PHE . 53742 4 73 . SER . 53742 4 74 . GLN . 53742 4 75 . VAL . 53742 4 76 . ASP . 53742 4 77 . VAL . 53742 4 78 . ASP . 53742 4 79 . TYR . 53742 4 80 . ASN . 53742 4 81 . ASP . 53742 4 82 . ASN . 53742 4 83 . THR . 53742 4 84 . VAL . 53742 4 85 . VAL . 53742 4 86 . ILE . 53742 4 87 . VAL . 53742 4 88 . LEU . 53742 4 89 . ASN . 53742 4 90 . LEU . 53742 4 91 . GLY . 53742 4 92 . GLN . 53742 4 93 . ARG . 53742 4 94 . VAL . 53742 4 95 . VAL . 53742 4 96 . GLY . 53742 4 97 . ILE . 53742 4 98 . VAL . 53742 4 99 . VAL . 53742 4 100 . ASP . 53742 4 101 . GLY . 53742 4 102 . VAL . 53742 4 103 . SER . 53742 4 104 . ASP . 53742 4 105 . VAL . 53742 4 106 . LEU . 53742 4 107 . SER . 53742 4 108 . LEU . 53742 4 109 . THR . 53742 4 110 . ALA . 53742 4 111 . GLU . 53742 4 112 . GLN . 53742 4 113 . ILE . 53742 4 114 . ARG . 53742 4 115 . PRO . 53742 4 116 . ALA . 53742 4 117 . PRO . 53742 4 118 . GLU . 53742 4 119 . PHE . 53742 4 120 . ALA . 53742 4 121 . VAL . 53742 4 122 . THR . 53742 4 123 . LEU . 53742 4 124 . SER . 53742 4 125 . THR . 53742 4 126 . GLU . 53742 4 127 . TYR . 53742 4 128 . LEU . 53742 4 129 . THR . 53742 4 130 . GLY . 53742 4 131 . LEU . 53742 4 132 . GLY . 53742 4 133 . ALA . 53742 4 134 . LEU . 53742 4 135 . GLY . 53742 4 136 . ASP . 53742 4 137 . ARG . 53742 4 138 . MET . 53742 4 139 . LEU . 53742 4 140 . ILE . 53742 4 141 . LEU . 53742 4 142 . VAL . 53742 4 143 . ASN . 53742 4 144 . ILE . 53742 4 145 . GLU . 53742 4 146 . LYS . 53742 4 147 . LEU . 53742 4 148 . LEU . 53742 4 149 . ASN . 53742 4 150 . SER . 53742 4 151 . GLU . 53742 4 152 . GLU . 53742 4 153 . MET . 53742 4 154 . ALA . 53742 4 155 . LEU . 53742 4 156 . LEU . 53742 4 157 . ASP . 53742 4 158 . SER . 53742 4 159 . ALA . 53742 4 160 . ALA . 53742 4 161 . SER . 53742 4 162 . GLU . 53742 4 163 . VAL . 53742 4 164 . ALA . 53742 4 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 53742 4 . THR 2 2 53742 4 . ASN 3 3 53742 4 . VAL 4 4 53742 4 . THR 5 5 53742 4 . LYS 6 6 53742 4 . LEU 7 7 53742 4 . ALA 8 8 53742 4 . SER 9 9 53742 4 . GLU 10 10 53742 4 . PRO 11 11 53742 4 . SER 12 12 53742 4 . GLY 13 13 53742 4 . GLN 14 14 53742 4 . GLU 15 15 53742 4 . PHE 16 16 53742 4 . LEU 17 17 53742 4 . VAL 18 18 53742 4 . PHE 19 19 53742 4 . THR 20 20 53742 4 . LEU 21 21 53742 4 . GLY 22 22 53742 4 . ASP 23 23 53742 4 . GLU 24 24 53742 4 . GLU 25 25 53742 4 . TYR 26 26 53742 4 . GLY 27 27 53742 4 . ILE 28 28 53742 4 . ASP 29 29 53742 4 . ILE 30 30 53742 4 . LEU 31 31 53742 4 . LYS 32 32 53742 4 . VAL 33 33 53742 4 . GLN 34 34 53742 4 . GLU 35 35 53742 4 . ILE 36 36 53742 4 . ARG 37 37 53742 4 . GLY 38 38 53742 4 . TYR 39 39 53742 4 . ASP 40 40 53742 4 . GLN 41 41 53742 4 . VAL 42 42 53742 4 . THR 43 43 53742 4 . ARG 44 44 53742 4 . ILE 45 45 53742 4 . ALA 46 46 53742 4 . ASN 47 47 53742 4 . THR 48 48 53742 4 . PRO 49 49 53742 4 . ALA 50 50 53742 4 . PHE 51 51 53742 4 . ILE 52 52 53742 4 . LYS 53 53 53742 4 . GLY 54 54 53742 4 . VAL 55 55 53742 4 . THR 56 56 53742 4 . ASN 57 57 53742 4 . LEU 58 58 53742 4 . ARG 59 59 53742 4 . GLY 60 60 53742 4 . VAL 61 61 53742 4 . ILE 62 62 53742 4 . VAL 63 63 53742 4 . PRO 64 64 53742 4 . ILE 65 65 53742 4 . VAL 66 66 53742 4 . ASP 67 67 53742 4 . LEU 68 68 53742 4 . ARG 69 69 53742 4 . ILE 70 70 53742 4 . LYS 71 71 53742 4 . PHE 72 72 53742 4 . SER 73 73 53742 4 . GLN 74 74 53742 4 . VAL 75 75 53742 4 . ASP 76 76 53742 4 . VAL 77 77 53742 4 . ASP 78 78 53742 4 . TYR 79 79 53742 4 . ASN 80 80 53742 4 . ASP 81 81 53742 4 . ASN 82 82 53742 4 . THR 83 83 53742 4 . VAL 84 84 53742 4 . VAL 85 85 53742 4 . ILE 86 86 53742 4 . VAL 87 87 53742 4 . LEU 88 88 53742 4 . ASN 89 89 53742 4 . LEU 90 90 53742 4 . GLY 91 91 53742 4 . GLN 92 92 53742 4 . ARG 93 93 53742 4 . VAL 94 94 53742 4 . VAL 95 95 53742 4 . GLY 96 96 53742 4 . ILE 97 97 53742 4 . VAL 98 98 53742 4 . VAL 99 99 53742 4 . ASP 100 100 53742 4 . GLY 101 101 53742 4 . VAL 102 102 53742 4 . SER 103 103 53742 4 . ASP 104 104 53742 4 . VAL 105 105 53742 4 . LEU 106 106 53742 4 . SER 107 107 53742 4 . LEU 108 108 53742 4 . THR 109 109 53742 4 . ALA 110 110 53742 4 . GLU 111 111 53742 4 . GLN 112 112 53742 4 . ILE 113 113 53742 4 . ARG 114 114 53742 4 . PRO 115 115 53742 4 . ALA 116 116 53742 4 . PRO 117 117 53742 4 . GLU 118 118 53742 4 . PHE 119 119 53742 4 . ALA 120 120 53742 4 . VAL 121 121 53742 4 . THR 122 122 53742 4 . LEU 123 123 53742 4 . SER 124 124 53742 4 . THR 125 125 53742 4 . GLU 126 126 53742 4 . TYR 127 127 53742 4 . LEU 128 128 53742 4 . THR 129 129 53742 4 . GLY 130 130 53742 4 . LEU 131 131 53742 4 . GLY 132 132 53742 4 . ALA 133 133 53742 4 . LEU 134 134 53742 4 . GLY 135 135 53742 4 . ASP 136 136 53742 4 . ARG 137 137 53742 4 . MET 138 138 53742 4 . LEU 139 139 53742 4 . ILE 140 140 53742 4 . LEU 141 141 53742 4 . VAL 142 142 53742 4 . ASN 143 143 53742 4 . ILE 144 144 53742 4 . GLU 145 145 53742 4 . LYS 146 146 53742 4 . LEU 147 147 53742 4 . LEU 148 148 53742 4 . ASN 149 149 53742 4 . SER 150 150 53742 4 . GLU 151 151 53742 4 . GLU 152 152 53742 4 . MET 153 153 53742 4 . ALA 154 154 53742 4 . LEU 155 155 53742 4 . LEU 156 156 53742 4 . ASP 157 157 53742 4 . SER 158 158 53742 4 . ALA 159 159 53742 4 . ALA 160 160 53742 4 . SER 161 161 53742 4 . GLU 162 162 53742 4 . VAL 163 163 53742 4 . ALA 164 164 53742 4 stop_ save_ save_entity_5 _Entity.Sf_category entity _Entity.Sf_framecode entity_5 _Entity.Entry_ID 53742 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entity_5 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 5 _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_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 . ACP $chem_comp_ACP 53742 5 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 53742 _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 . . . . . . . . . . . . . 53742 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53742 1 3 3 $entity_3 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53742 1 4 4 $entity_4 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53742 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 53742 _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 . . . 53742 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pTEV-CheA-P3P4P5 . . . 53742 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pHTCF4E . . . 53742 1 4 4 $entity_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pTEVcheW . . . 53742 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACP _Chem_comp.Entry_ID 53742 _Chem_comp.ID ACP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACP _Chem_comp.PDB_code ACP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACP _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 31 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms "ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE" _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C11 H18 N5 O12 P3' _Chem_comp.Formula_weight 505.208 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DAH _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; InChI InChI 1.03 53742 ACP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 53742 ACP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 53742 ACP O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 53742 ACP UFZTZBNSLXELAL-IOSLPCCCSA-N InChIKey InChI 1.03 53742 ACP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 53742 ACP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53742 ACP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine 'SYSTEMATIC NAME' ACDLabs 10.04 53742 ACP ; [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 53742 ACP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG PG PG PG . P . . N 0 . . . 1 N N . . . . 0.855 . 23.263 . 12.268 . 1.232 -0.258 -7.184 1 . 53742 ACP O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 0.261 . 24.067 . 11.155 . 1.776 1.110 -7.046 2 . 53742 ACP O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 1.546 . 24.269 . 13.322 . 2.162 -1.107 -8.188 3 . 53742 ACP O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . -0.131 . 22.359 . 12.910 . -0.264 -0.184 -7.773 4 . 53742 ACP PB PB PB PB . P . . S 0 . . . 1 N N . . . . 3.960 . 22.989 . 11.443 . 0.150 -0.107 -4.415 5 . 53742 ACP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 4.312 . 23.616 . 12.735 . -1.225 -0.039 -4.956 6 . 53742 ACP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 3.924 . 23.959 . 10.301 . 0.742 1.382 -4.265 7 . 53742 ACP C3B C3B C3B C3B . C . . N 0 . . . 1 N N . . . . 2.284 . 22.270 . 11.671 . 1.203 -1.068 -5.551 8 . 53742 ACP PA PA PA PA . P . . R 0 . . . 1 N N . . . . 5.743 . 20.743 . 12.106 . -0.817 0.074 -2.025 9 . 53742 ACP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 4.831 . 20.274 . 13.183 . -2.178 0.139 -2.603 10 . 53742 ACP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 7.006 . 21.290 . 12.660 . -0.209 1.560 -1.915 11 . 53742 ACP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 5.012 . 21.836 . 11.181 . 0.125 -0.822 -2.973 12 . 53742 ACP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 6.031 . 19.560 . 11.060 . -0.888 -0.586 -0.558 13 . 53742 ACP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 4.979 . 19.095 . 10.193 . -1.735 0.251 0.230 14 . 53742 ACP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 5.256 . 17.654 . 9.808 . -1.846 -0.323 1.644 15 . 53742 ACP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 6.374 . 17.632 . 8.893 . -0.547 -0.360 2.275 16 . 53742 ACP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 5.652 . 16.801 . 11.014 . -2.694 0.605 2.540 17 . 53742 ACP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 5.204 . 15.448 . 10.861 . -4.037 0.127 2.628 18 . 53742 ACP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 7.170 . 16.925 . 11.034 . -2.000 0.532 3.921 19 . 53742 ACP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 7.857 . 15.936 . 11.824 . -2.896 0.008 4.904 20 . 53742 ACP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 7.474 . 16.946 . 9.532 . -0.814 -0.430 3.692 21 . 53742 ACP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 8.709 . 17.720 . 9.213 . 0.355 0.011 4.455 22 . 53742 ACP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 8.895 . 19.019 . 9.421 . 1.312 0.885 4.030 23 . 53742 ACP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 10.183 . 19.294 . 9.183 . 2.206 1.052 4.960 24 . 53742 ACP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 10.799 . 18.177 . 8.819 . 1.878 0.304 6.041 25 . 53742 ACP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 12.115 . 17.856 . 8.463 . 2.456 0.082 7.302 26 . 53742 ACP N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 13.104 . 18.732 . 8.587 . 3.629 0.721 7.665 27 . 53742 ACP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 12.377 . 16.579 . 8.108 . 1.848 -0.750 8.140 28 . 53742 ACP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 11.429 . 15.645 . 8.114 . 0.729 -1.363 7.803 29 . 53742 ACP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 10.204 . 15.928 . 8.483 . 0.154 -1.191 6.631 30 . 53742 ACP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 9.849 . 17.174 . 8.827 . 0.689 -0.377 5.727 31 . 53742 ACP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 N N . . . . 1.923 . 23.758 . 14.028 . 2.150 -0.645 -9.038 32 . 53742 ACP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 N N . . . . 0.246 . 21.848 . 13.616 . -0.581 -1.094 -7.847 33 . 53742 ACP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 3.697 . 23.556 . 9.470 . 1.637 1.292 -3.910 34 . 53742 ACP H3B1 H3B1 H3B1 1H3B . H . . N 0 . . . 0 N N . . . . 2.385 . 21.387 . 12.344 . 2.216 -1.118 -5.153 35 . 53742 ACP H3B2 H3B2 H3B2 2H3B . H . . N 0 . . . 0 N N . . . . 1.986 . 21.797 . 10.705 . 0.802 -2.076 -5.653 36 . 53742 ACP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 7.588 . 21.589 . 11.972 . 0.675 1.473 -1.535 37 . 53742 ACP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 3.967 . 19.226 . 10.644 . -2.726 0.296 -0.221 38 . 53742 ACP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 4.840 . 19.752 . 9.303 . -1.312 1.254 0.278 39 . 53742 ACP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 4.323 . 17.240 . 9.359 . -2.281 -1.322 1.614 40 . 53742 ACP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 5.189 . 17.132 . 11.973 . -2.676 1.626 2.157 41 . 53742 ACP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 N N . . . . 5.450 . 14.918 . 11.610 . -4.517 0.745 3.197 42 . 53742 ACP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 7.554 . 17.826 . 11.565 . -1.640 1.516 4.220 43 . 53742 ACP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 8.803 . 16.013 . 11.836 . -3.642 0.621 4.957 44 . 53742 ACP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 7.615 . 15.895 . 9.184 . -1.090 -1.446 3.977 45 . 53742 ACP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 8.120 . 19.738 . 9.734 . 1.326 1.366 3.063 46 . 53742 ACP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 N N . . . . 14.062 . 18.498 . 8.327 . 4.017 0.563 8.540 47 . 53742 ACP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 N N . . . . 13.112 . 19.059 . 9.552 . 4.066 1.323 7.043 48 . 53742 ACP H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 11.664 . 14.612 . 7.806 . 0.267 -2.032 8.514 49 . 53742 ACP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G N N 1 . 53742 ACP 2 . SING PG O2G N N 2 . 53742 ACP 3 . SING PG O3G N N 3 . 53742 ACP 4 . SING PG C3B N N 4 . 53742 ACP 5 . SING O2G HOG2 N N 5 . 53742 ACP 6 . SING O3G HOG3 N N 6 . 53742 ACP 7 . DOUB PB O1B N N 7 . 53742 ACP 8 . SING PB O2B N N 8 . 53742 ACP 9 . SING PB C3B N N 9 . 53742 ACP 10 . SING PB O3A N N 10 . 53742 ACP 11 . SING O2B HOB2 N N 11 . 53742 ACP 12 . SING C3B H3B1 N N 12 . 53742 ACP 13 . SING C3B H3B2 N N 13 . 53742 ACP 14 . DOUB PA O1A N N 14 . 53742 ACP 15 . SING PA O2A N N 15 . 53742 ACP 16 . SING PA O3A N N 16 . 53742 ACP 17 . SING PA O5' N N 17 . 53742 ACP 18 . SING O2A HOA2 N N 18 . 53742 ACP 19 . SING O5' C5' N N 19 . 53742 ACP 20 . SING C5' C4' N N 20 . 53742 ACP 21 . SING C5' H5'1 N N 21 . 53742 ACP 22 . SING C5' H5'2 N N 22 . 53742 ACP 23 . SING C4' O4' N N 23 . 53742 ACP 24 . SING C4' C3' N N 24 . 53742 ACP 25 . SING C4' H4' N N 25 . 53742 ACP 26 . SING O4' C1' N N 26 . 53742 ACP 27 . SING C3' O3' N N 27 . 53742 ACP 28 . SING C3' C2' N N 28 . 53742 ACP 29 . SING C3' H3' N N 29 . 53742 ACP 30 . SING O3' HO3' N N 30 . 53742 ACP 31 . SING C2' O2' N N 31 . 53742 ACP 32 . SING C2' C1' N N 32 . 53742 ACP 33 . SING C2' H2' N N 33 . 53742 ACP 34 . SING O2' HO2' N N 34 . 53742 ACP 35 . SING C1' N9 N N 35 . 53742 ACP 36 . SING C1' H1' N N 36 . 53742 ACP 37 . SING N9 C8 Y N 37 . 53742 ACP 38 . SING N9 C4 Y N 38 . 53742 ACP 39 . DOUB C8 N7 Y N 39 . 53742 ACP 40 . SING C8 H8 N N 40 . 53742 ACP 41 . SING N7 C5 Y N 41 . 53742 ACP 42 . SING C5 C6 Y N 42 . 53742 ACP 43 . DOUB C5 C4 Y N 43 . 53742 ACP 44 . SING C6 N6 N N 44 . 53742 ACP 45 . DOUB C6 N1 Y N 45 . 53742 ACP 46 . SING N6 HN61 N N 46 . 53742 ACP 47 . SING N6 HN62 N N 47 . 53742 ACP 48 . SING N1 C2 Y N 48 . 53742 ACP 49 . DOUB C2 N3 Y N 49 . 53742 ACP 50 . SING C2 H2 N N 50 . 53742 ACP 51 . SING N3 C4 Y N 51 . 53742 ACP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53742 _Sample.ID 1 _Sample.Name 'CheA-P1 with kinase-off chemotaxis signaling complexes and AMPPCP' _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 . . 50 . . uM . . . . 53742 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 53742 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53742 1 4 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 53742 1 5 'potassium phosphate' 'natural abundance' . . . . . . 109 . . mM . . . . 53742 1 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 53742 1 7 TRIS 'natural abundance' . . . . . . 94 . . mM . . . . 53742 1 8 'Zinc chloride' 'natural abundance' . . . . . . 420 . . uM . . . . 53742 1 9 'Polyethylene glycol 8000' 'natural abundance' . . . . . . 7.5 . . % . . . . 53742 1 10 CheA-P3P4P5 'natural abundance' . . 2 $entity_2 . . 120 . . uM . . . . 53742 1 11 'Chemoreceptor (Tar) cytoplasmic fragment - unmethylated (CF4E)' 'natural abundance' . . 3 $entity_3 . . 1000 . . uM . . . . 53742 1 12 CheW 'natural abundance' . . 4 $entity_4 . . 400 . . uM . . . . 53742 1 13 AMPPCP 'natural abundance' . . 5 $entity_5 . . 10 . . mM . . . . 53742 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 53742 _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' 583 25 mM 53742 1 pH 7.5 . pH 53742 1 pressure 1 . atm 53742 1 temperature 295 . K 53742 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53742 _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 . 53742 1 processing . 53742 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53742 _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' . 53742 2 'data analysis' . 53742 2 'peak picking' . 53742 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 53742 _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 53742 _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 . . . . . . . . . . . . . . . . . 53742 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_kinase-offcomplexes_AMPPCP_7.5PEG_Zn.zip . 'NMR experiment directory' . 'CheA-P1 +kinase-off signaling complexes+AMPPCP topspin directory' 53742 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 53742 _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 . . . . . 53742 1 N 15 Ubiquitin nitrogen . . . . ppm 133.72 external direct 1 . . . . . 53742 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 53742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CheA-P1 with kinase-off chemotaxis signaling complexes and AMPPCP' _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' . . . 53742 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 . 53742 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 . . 53742 1 2 $software_2 . . 53742 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 8.075819543 . . 1 . . . . . 5 ILE H . 53742 1 2 . 1 . 1 5 5 ILE N N 15 122.1165986 . . 1 . . . . . 5 ILE N . 53742 1 3 . 1 . 1 6 6 SER H H 1 8.243003855 . . 1 . . . . . 6 SER H . 53742 1 4 . 1 . 1 6 6 SER N N 15 122.7447464 . . 1 . . . . . 6 SER N . 53742 1 5 . 1 . 1 7 7 ASP H H 1 8.105305183 . . 1 . . . . . 7 ASP H . 53742 1 6 . 1 . 1 7 7 ASP N N 15 122.911986 . . 1 . . . . . 7 ASP N . 53742 1 7 . 1 . 1 8 8 PHE H H 1 7.798696221 . . 1 . . . . . 8 PHE H . 53742 1 8 . 1 . 1 8 8 PHE N N 15 120.0815773 . . 1 . . . . . 8 PHE N . 53742 1 9 . 1 . 1 9 9 TYR H H 1 7.544887773 . . 1 . . . . . 9 TYR H . 53742 1 10 . 1 . 1 9 9 TYR N N 15 119.0400471 . . 1 . . . . . 9 TYR N . 53742 1 11 . 1 . 1 10 10 GLN H H 1 7.787225281 . . 1 . . . . . 10 GLN H . 53742 1 12 . 1 . 1 10 10 GLN N N 15 118.3697529 . . 1 . . . . . 10 GLN N . 53742 1 13 . 1 . 1 11 11 THR H H 1 7.773609552 . . 1 . . . . . 11 THR H . 53742 1 14 . 1 . 1 11 11 THR N N 15 113.3295999 . . 1 . . . . . 11 THR N . 53742 1 15 . 1 . 1 12 12 PHE H H 1 7.29553246 . . 1 . . . . . 12 PHE H . 53742 1 16 . 1 . 1 12 12 PHE N N 15 122.5464796 . . 1 . . . . . 12 PHE N . 53742 1 17 . 1 . 1 13 13 PHE H H 1 8.1744764 . . 1 . . . . . 13 PHE H . 53742 1 18 . 1 . 1 13 13 PHE N N 15 118.9064152 . . 1 . . . . . 13 PHE N . 53742 1 19 . 1 . 1 14 14 ASP H H 1 8.170864072 . . 1 . . . . . 14 ASP H . 53742 1 20 . 1 . 1 14 14 ASP N N 15 118.2632976 . . 1 . . . . . 14 ASP N . 53742 1 21 . 1 . 1 15 15 GLU H H 1 7.901556296 . . 1 . . . . . 15 GLU H . 53742 1 22 . 1 . 1 15 15 GLU N N 15 122.3316837 . . 1 . . . . . 15 GLU N . 53742 1 23 . 1 . 1 16 16 ALA H H 1 9.020642499 . . 1 . . . . . 16 ALA H . 53742 1 24 . 1 . 1 16 16 ALA N N 15 122.731253 . . 1 . . . . . 16 ALA N . 53742 1 25 . 1 . 1 17 17 ASP H H 1 8.153493722 . . 1 . . . . . 17 ASP H . 53742 1 26 . 1 . 1 17 17 ASP N N 15 118.7813517 . . 1 . . . . . 17 ASP N . 53742 1 27 . 1 . 1 18 18 GLU H H 1 7.244936823 . . 1 . . . . . 18 GLU H . 53742 1 28 . 1 . 1 18 18 GLU N N 15 120.9973198 . . 1 . . . . . 18 GLU N . 53742 1 29 . 1 . 1 21 21 ALA H H 1 7.444812651 . . 1 . . . . . 21 ALA H . 53742 1 30 . 1 . 1 21 21 ALA N N 15 122.7466015 . . 1 . . . . . 21 ALA N . 53742 1 31 . 1 . 1 22 22 ASP H H 1 8.162424143 . . 1 . . . . . 22 ASP H . 53742 1 32 . 1 . 1 22 22 ASP N N 15 121.6485496 . . 1 . . . . . 22 ASP N . 53742 1 33 . 1 . 1 24 24 GLU H H 1 7.997459274 . . 1 . . . . . 24 GLU H . 53742 1 34 . 1 . 1 24 24 GLU N N 15 118.7312507 . . 1 . . . . . 24 GLU N . 53742 1 35 . 1 . 1 25 25 GLN H H 1 7.687219534 . . 1 . . . . . 25 GLN H . 53742 1 36 . 1 . 1 25 25 GLN N N 15 116.0607949 . . 1 . . . . . 25 GLN N . 53742 1 37 . 1 . 1 27 27 LEU H H 1 8.335114432 . . 1 . . . . . 27 LEU H . 53742 1 38 . 1 . 1 27 27 LEU N N 15 120.308287 . . 1 . . . . . 27 LEU N . 53742 1 39 . 1 . 1 28 28 LEU H H 1 7.781909873 . . 1 . . . . . 28 LEU H . 53742 1 40 . 1 . 1 28 28 LEU N N 15 115.6959088 . . 1 . . . . . 28 LEU N . 53742 1 41 . 1 . 1 29 29 VAL H H 1 6.943462468 . . 1 . . . . . 29 VAL H . 53742 1 42 . 1 . 1 29 29 VAL N N 15 109.5657302 . . 1 . . . . . 29 VAL N . 53742 1 43 . 1 . 1 30 30 LEU H H 1 7.087145637 . . 1 . . . . . 30 LEU H . 53742 1 44 . 1 . 1 30 30 LEU N N 15 126.0672187 . . 1 . . . . . 30 LEU N . 53742 1 45 . 1 . 1 31 31 GLN H H 1 8.749632128 . . 1 . . . . . 31 GLN H . 53742 1 46 . 1 . 1 31 31 GLN N N 15 127.048912 . . 1 . . . . . 31 GLN N . 53742 1 47 . 1 . 1 33 33 GLU H H 1 8.627307091 . . 1 . . . . . 33 GLU H . 53742 1 48 . 1 . 1 33 33 GLU N N 15 114.218031 . . 1 . . . . . 33 GLU N . 53742 1 49 . 1 . 1 34 34 ALA H H 1 7.198197386 . . 1 . . . . . 34 ALA H . 53742 1 50 . 1 . 1 34 34 ALA N N 15 121.5955433 . . 1 . . . . . 34 ALA N . 53742 1 51 . 1 . 1 36 36 ASP H H 1 8.19856026 . . 1 . . . . . 36 ASP H . 53742 1 52 . 1 . 1 36 36 ASP N N 15 125.8171526 . . 1 . . . . . 36 ASP N . 53742 1 53 . 1 . 1 37 37 ALA H H 1 8.802292648 . . 1 . . . . . 37 ALA H . 53742 1 54 . 1 . 1 37 37 ALA N N 15 130.4278701 . . 1 . . . . . 37 ALA N . 53742 1 55 . 1 . 1 38 38 GLU H H 1 8.213553022 . . 1 . . . . . 38 GLU H . 53742 1 56 . 1 . 1 38 38 GLU N N 15 117.9619923 . . 1 . . . . . 38 GLU N . 53742 1 57 . 1 . 1 40 40 LEU H H 1 7.83889126 . . 1 . . . . . 40 LEU H . 53742 1 58 . 1 . 1 40 40 LEU N N 15 117.7417664 . . 1 . . . . . 40 LEU N . 53742 1 59 . 1 . 1 41 41 ASN H H 1 8.351924594 . . 1 . . . . . 41 ASN H . 53742 1 60 . 1 . 1 41 41 ASN N N 15 117.9239149 . . 1 . . . . . 41 ASN N . 53742 1 61 . 1 . 1 42 42 ALA H H 1 7.732488183 . . 1 . . . . . 42 ALA H . 53742 1 62 . 1 . 1 42 42 ALA N N 15 123.3854376 . . 1 . . . . . 42 ALA N . 53742 1 63 . 1 . 1 43 43 ILE H H 1 7.743138784 . . 1 . . . . . 43 ILE H . 53742 1 64 . 1 . 1 43 43 ILE N N 15 120.5693898 . . 1 . . . . . 43 ILE N . 53742 1 65 . 1 . 1 45 45 ARG H H 1 8.73567122 . . 1 . . . . . 45 ARG H . 53742 1 66 . 1 . 1 45 45 ARG N N 15 118.9611094 . . 1 . . . . . 45 ARG N . 53742 1 67 . 1 . 1 46 46 ALA H H 1 7.474174603 . . 1 . . . . . 46 ALA H . 53742 1 68 . 1 . 1 46 46 ALA N N 15 122.2944665 . . 1 . . . . . 46 ALA N . 53742 1 69 . 1 . 1 47 47 ALA H H 1 7.721206806 . . 1 . . . . . 47 ALA H . 53742 1 70 . 1 . 1 47 47 ALA N N 15 119.9384598 . . 1 . . . . . 47 ALA N . 53742 1 71 . 1 . 1 48 48 HIS H H 1 8.699870678 . . 1 . . . . . 48 HIS H . 53742 1 72 . 1 . 1 48 48 HIS N N 15 116.9714158 . . 1 . . . . . 48 HIS N . 53742 1 73 . 1 . 1 49 49 SER H H 1 8.215870185 . . 1 . . . . . 49 SER H . 53742 1 74 . 1 . 1 49 49 SER N N 15 117.1951554 . . 1 . . . . . 49 SER N . 53742 1 75 . 1 . 1 50 50 ILE H H 1 8.010784178 . . 1 . . . . . 50 ILE H . 53742 1 76 . 1 . 1 50 50 ILE N N 15 124.4718394 . . 1 . . . . . 50 ILE N . 53742 1 77 . 1 . 1 51 51 LYS H H 1 8.381205427 . . 1 . . . . . 51 LYS H . 53742 1 78 . 1 . 1 51 51 LYS N N 15 121.622861 . . 1 . . . . . 51 LYS N . 53742 1 79 . 1 . 1 52 52 GLY H H 1 7.64885549 . . 1 . . . . . 52 GLY H . 53742 1 80 . 1 . 1 52 52 GLY N N 15 105.7330396 . . 1 . . . . . 52 GLY N . 53742 1 81 . 1 . 1 53 53 GLY H H 1 7.754825084 . . 1 . . . . . 53 GLY H . 53742 1 82 . 1 . 1 53 53 GLY N N 15 110.8866247 . . 1 . . . . . 53 GLY N . 53742 1 83 . 1 . 1 54 54 ALA H H 1 8.737575366 . . 1 . . . . . 54 ALA H . 53742 1 84 . 1 . 1 54 54 ALA N N 15 123.1955065 . . 1 . . . . . 54 ALA N . 53742 1 85 . 1 . 1 55 55 GLY H H 1 7.89712732 . . 1 . . . . . 55 GLY H . 53742 1 86 . 1 . 1 55 55 GLY N N 15 103.9683955 . . 1 . . . . . 55 GLY N . 53742 1 87 . 1 . 1 56 56 THR H H 1 7.442599769 . . 1 . . . . . 56 THR H . 53742 1 88 . 1 . 1 56 56 THR N N 15 120.5664466 . . 1 . . . . . 56 THR N . 53742 1 89 . 1 . 1 57 57 PHE H H 1 6.732485385 . . 1 . . . . . 57 PHE H . 53742 1 90 . 1 . 1 57 57 PHE N N 15 116.0827973 . . 1 . . . . . 57 PHE N . 53742 1 91 . 1 . 1 58 58 GLY H H 1 7.045639547 . . 1 . . . . . 58 GLY H . 53742 1 92 . 1 . 1 58 58 GLY N N 15 107.407967 . . 1 . . . . . 58 GLY N . 53742 1 93 . 1 . 1 59 59 PHE H H 1 8.004465192 . . 1 . . . . . 59 PHE H . 53742 1 94 . 1 . 1 59 59 PHE N N 15 122.4027023 . . 1 . . . . . 59 PHE N . 53742 1 95 . 1 . 1 60 60 SER H H 1 7.833498436 . . 1 . . . . . 60 SER H . 53742 1 96 . 1 . 1 60 60 SER N N 15 119.5172961 . . 1 . . . . . 60 SER N . 53742 1 97 . 1 . 1 61 61 VAL H H 1 7.750657431 . . 1 . . . . . 61 VAL H . 53742 1 98 . 1 . 1 61 61 VAL N N 15 122.1806506 . . 1 . . . . . 61 VAL N . 53742 1 99 . 1 . 1 62 62 LEU H H 1 6.60465709 . . 1 . . . . . 62 LEU H . 53742 1 100 . 1 . 1 62 62 LEU N N 15 122.3434413 . . 1 . . . . . 62 LEU N . 53742 1 101 . 1 . 1 63 63 GLN H H 1 8.476612154 . . 1 . . . . . 63 GLN H . 53742 1 102 . 1 . 1 63 63 GLN N N 15 122.8860613 . . 1 . . . . . 63 GLN N . 53742 1 103 . 1 . 1 64 64 GLU H H 1 8.225533321 . . 1 . . . . . 64 GLU H . 53742 1 104 . 1 . 1 64 64 GLU N N 15 119.062763 . . 1 . . . . . 64 GLU N . 53742 1 105 . 1 . 1 65 65 THR H H 1 7.939734418 . . 1 . . . . . 65 THR H . 53742 1 106 . 1 . 1 65 65 THR N N 15 116.7431622 . . 1 . . . . . 65 THR N . 53742 1 107 . 1 . 1 66 66 THR H H 1 8.029358579 . . 1 . . . . . 66 THR H . 53742 1 108 . 1 . 1 66 66 THR N N 15 113.2868721 . . 1 . . . . . 66 THR N . 53742 1 109 . 1 . 1 67 67 HIS H H 1 8.452165009 . . 1 . . . . . 67 HIS H . 53742 1 110 . 1 . 1 67 67 HIS N N 15 122.9657993 . . 1 . . . . . 67 HIS N . 53742 1 111 . 1 . 1 68 68 LEU H H 1 7.643490357 . . 1 . . . . . 68 LEU H . 53742 1 112 . 1 . 1 68 68 LEU N N 15 118.0395945 . . 1 . . . . . 68 LEU N . 53742 1 113 . 1 . 1 69 69 MET H H 1 7.581131391 . . 1 . . . . . 69 MET H . 53742 1 114 . 1 . 1 69 69 MET N N 15 119.0179964 . . 1 . . . . . 69 MET N . 53742 1 115 . 1 . 1 70 70 GLU H H 1 9.274562513 . . 1 . . . . . 70 GLU H . 53742 1 116 . 1 . 1 70 70 GLU N N 15 121.4734305 . . 1 . . . . . 70 GLU N . 53742 1 117 . 1 . 1 71 71 ASN H H 1 7.857762194 . . 1 . . . . . 71 ASN H . 53742 1 118 . 1 . 1 71 71 ASN N N 15 117.5395727 . . 1 . . . . . 71 ASN N . 53742 1 119 . 1 . 1 72 72 LEU H H 1 7.090217684 . . 1 . . . . . 72 LEU H . 53742 1 120 . 1 . 1 72 72 LEU N N 15 119.7990995 . . 1 . . . . . 72 LEU N . 53742 1 121 . 1 . 1 74 74 ASP H H 1 8.654389964 . . 1 . . . . . 74 ASP H . 53742 1 122 . 1 . 1 74 74 ASP N N 15 120.4388584 . . 1 . . . . . 74 ASP N . 53742 1 123 . 1 . 1 76 76 ALA H H 1 8.219665574 . . 1 . . . . . 76 ALA H . 53742 1 124 . 1 . 1 76 76 ALA N N 15 121.1771175 . . 1 . . . . . 76 ALA N . 53742 1 125 . 1 . 1 77 77 ARG H H 1 8.652427354 . . 1 . . . . . 77 ARG H . 53742 1 126 . 1 . 1 77 77 ARG N N 15 120.1211618 . . 1 . . . . . 77 ARG N . 53742 1 127 . 1 . 1 79 79 GLY H H 1 7.636421686 . . 1 . . . . . 79 GLY H . 53742 1 128 . 1 . 1 79 79 GLY N N 15 107.9226291 . . 1 . . . . . 79 GLY N . 53742 1 129 . 1 . 1 80 80 GLU H H 1 7.833777397 . . 1 . . . . . 80 GLU H . 53742 1 130 . 1 . 1 80 80 GLU N N 15 118.2446827 . . 1 . . . . . 80 GLU N . 53742 1 131 . 1 . 1 81 81 MET H H 1 6.811389978 . . 1 . . . . . 81 MET H . 53742 1 132 . 1 . 1 81 81 MET N N 15 117.5399515 . . 1 . . . . . 81 MET N . 53742 1 133 . 1 . 1 82 82 GLN H H 1 8.526703523 . . 1 . . . . . 82 GLN H . 53742 1 134 . 1 . 1 82 82 GLN N N 15 126.4915057 . . 1 . . . . . 82 GLN N . 53742 1 135 . 1 . 1 84 84 ASN H H 1 6.492743021 . . 1 . . . . . 84 ASN H . 53742 1 136 . 1 . 1 84 84 ASN N N 15 111.9734063 . . 1 . . . . . 84 ASN N . 53742 1 137 . 1 . 1 86 86 ASP H H 1 7.806860345 . . 1 . . . . . 86 ASP H . 53742 1 138 . 1 . 1 86 86 ASP N N 15 122.4534715 . . 1 . . . . . 86 ASP N . 53742 1 139 . 1 . 1 87 87 ILE H H 1 8.200260401 . . 1 . . . . . 87 ILE H . 53742 1 140 . 1 . 1 87 87 ILE N N 15 122.9347473 . . 1 . . . . . 87 ILE N . 53742 1 141 . 1 . 1 88 88 ILE H H 1 7.591986422 . . 1 . . . . . 88 ILE H . 53742 1 142 . 1 . 1 88 88 ILE N N 15 119.8656982 . . 1 . . . . . 88 ILE N . 53742 1 143 . 1 . 1 89 89 ASN H H 1 8.278936459 . . 1 . . . . . 89 ASN H . 53742 1 144 . 1 . 1 89 89 ASN N N 15 118.5039465 . . 1 . . . . . 89 ASN N . 53742 1 145 . 1 . 1 91 91 PHE H H 1 8.693895876 . . 1 . . . . . 91 PHE H . 53742 1 146 . 1 . 1 91 91 PHE N N 15 123.7595098 . . 1 . . . . . 91 PHE N . 53742 1 147 . 1 . 1 92 92 LEU H H 1 8.593847325 . . 1 . . . . . 92 LEU H . 53742 1 148 . 1 . 1 92 92 LEU N N 15 123.1203709 . . 1 . . . . . 92 LEU N . 53742 1 149 . 1 . 1 93 93 GLU H H 1 8.261059894 . . 1 . . . . . 93 GLU H . 53742 1 150 . 1 . 1 93 93 GLU N N 15 121.8694445 . . 1 . . . . . 93 GLU N . 53742 1 151 . 1 . 1 94 94 THR H H 1 8.489933574 . . 1 . . . . . 94 THR H . 53742 1 152 . 1 . 1 94 94 THR N N 15 118.0611427 . . 1 . . . . . 94 THR N . 53742 1 153 . 1 . 1 96 96 ASP H H 1 7.845476852 . . 1 . . . . . 96 ASP H . 53742 1 154 . 1 . 1 96 96 ASP N N 15 121.3009899 . . 1 . . . . . 96 ASP N . 53742 1 155 . 1 . 1 98 98 MET H H 1 9.052281109 . . 1 . . . . . 98 MET H . 53742 1 156 . 1 . 1 98 98 MET N N 15 122.4832098 . . 1 . . . . . 98 MET N . 53742 1 157 . 1 . 1 99 99 GLN H H 1 8.226698066 . . 1 . . . . . 99 GLN H . 53742 1 158 . 1 . 1 99 99 GLN N N 15 119.3528135 . . 1 . . . . . 99 GLN N . 53742 1 159 . 1 . 1 100 100 GLU H H 1 7.654186788 . . 1 . . . . . 100 GLU H . 53742 1 160 . 1 . 1 100 100 GLU N N 15 119.7357139 . . 1 . . . . . 100 GLU N . 53742 1 161 . 1 . 1 103 103 ASP H H 1 8.463067835 . . 1 . . . . . 103 ASP H . 53742 1 162 . 1 . 1 103 103 ASP N N 15 118.3691376 . . 1 . . . . . 103 ASP N . 53742 1 163 . 1 . 1 104 104 ALA H H 1 7.540653207 . . 1 . . . . . 104 ALA H . 53742 1 164 . 1 . 1 104 104 ALA N N 15 124.8099279 . . 1 . . . . . 104 ALA N . 53742 1 165 . 1 . 1 105 105 TYR H H 1 7.666353041 . . 1 . . . . . 105 TYR H . 53742 1 166 . 1 . 1 105 105 TYR N N 15 119.6258886 . . 1 . . . . . 105 TYR N . 53742 1 167 . 1 . 1 107 107 GLN H H 1 7.075699367 . . 1 . . . . . 107 GLN H . 53742 1 168 . 1 . 1 107 107 GLN N N 15 115.9380487 . . 1 . . . . . 107 GLN N . 53742 1 169 . 1 . 1 108 108 SER H H 1 7.98819354 . . 1 . . . . . 108 SER H . 53742 1 170 . 1 . 1 108 108 SER N N 15 113.5522241 . . 1 . . . . . 108 SER N . 53742 1 171 . 1 . 1 109 109 GLN H H 1 7.993479667 . . 1 . . . . . 109 GLN H . 53742 1 172 . 1 . 1 109 109 GLN N N 15 118.1562629 . . 1 . . . . . 109 GLN N . 53742 1 173 . 1 . 1 110 110 GLU H H 1 8.162969581 . . 1 . . . . . 110 GLU H . 53742 1 174 . 1 . 1 110 110 GLU N N 15 120.7573693 . . 1 . . . . . 110 GLU N . 53742 1 175 . 1 . 1 113 113 ALA H H 1 8.718363398 . . 1 . . . . . 113 ALA H . 53742 1 176 . 1 . 1 113 113 ALA N N 15 132.9602206 . . 1 . . . . . 113 ALA N . 53742 1 177 . 1 . 1 114 114 ALA H H 1 8.181017796 . . 1 . . . . . 114 ALA H . 53742 1 178 . 1 . 1 114 114 ALA N N 15 121.8073699 . . 1 . . . . . 114 ALA N . 53742 1 179 . 1 . 1 115 115 SER H H 1 8.26796449 . . 1 . . . . . 115 SER H . 53742 1 180 . 1 . 1 115 115 SER N N 15 116.6773467 . . 1 . . . . . 115 SER N . 53742 1 181 . 1 . 1 116 116 PHE H H 1 7.130138235 . . 1 . . . . . 116 PHE H . 53742 1 182 . 1 . 1 116 116 PHE N N 15 123.1238541 . . 1 . . . . . 116 PHE N . 53742 1 183 . 1 . 1 118 118 TYR H H 1 7.831475812 . . 1 . . . . . 118 TYR H . 53742 1 184 . 1 . 1 118 118 TYR N N 15 118.9681793 . . 1 . . . . . 118 TYR N . 53742 1 185 . 1 . 1 119 119 ILE H H 1 8.269257624 . . 1 . . . . . 119 ILE H . 53742 1 186 . 1 . 1 119 119 ILE N N 15 122.6385843 . . 1 . . . . . 119 ILE N . 53742 1 187 . 1 . 1 121 121 GLN H H 1 7.445154926 . . 1 . . . . . 121 GLN H . 53742 1 188 . 1 . 1 121 121 GLN N N 15 118.3818828 . . 1 . . . . . 121 GLN N . 53742 1 189 . 1 . 1 122 122 ALA H H 1 7.585322493 . . 1 . . . . . 122 ALA H . 53742 1 190 . 1 . 1 122 122 ALA N N 15 122.7235036 . . 1 . . . . . 122 ALA N . 53742 1 191 . 1 . 1 123 123 LEU H H 1 8.41462666 . . 1 . . . . . 123 LEU H . 53742 1 192 . 1 . 1 123 123 LEU N N 15 118.9023561 . . 1 . . . . . 123 LEU N . 53742 1 193 . 1 . 1 125 125 GLN H H 1 7.977276214 . . 1 . . . . . 125 GLN H . 53742 1 194 . 1 . 1 125 125 GLN N N 15 119.8163788 . . 1 . . . . . 125 GLN N . 53742 1 195 . 1 . 1 126 126 LEU H H 1 7.38982327 . . 1 . . . . . 126 LEU H . 53742 1 196 . 1 . 1 126 126 LEU N N 15 119.612367 . . 1 . . . . . 126 LEU N . 53742 1 197 . 1 . 1 127 127 ALA H H 1 7.407647521 . . 1 . . . . . 127 ALA H . 53742 1 198 . 1 . 1 127 127 ALA N N 15 120.5136542 . . 1 . . . . . 127 ALA N . 53742 1 199 . 1 . 1 128 128 LEU H H 1 7.597614638 . . 1 . . . . . 128 LEU H . 53742 1 200 . 1 . 1 128 128 LEU N N 15 119.2850592 . . 1 . . . . . 128 LEU N . 53742 1 201 . 1 . 1 129 129 GLU H H 1 7.97917637 . . 1 . . . . . 129 GLU H . 53742 1 202 . 1 . 1 129 129 GLU N N 15 120.5325733 . . 1 . . . . . 129 GLU N . 53742 1 203 . 1 . 1 130 130 ALA H H 1 8.070821158 . . 1 . . . . . 130 ALA H . 53742 1 204 . 1 . 1 130 130 ALA N N 15 122.7068082 . . 1 . . . . . 130 ALA N . 53742 1 205 . 1 . 1 131 131 LYS H H 1 7.542551605 . . 1 . . . . . 131 LYS H . 53742 1 206 . 1 . 1 131 131 LYS N N 15 117.8861228 . . 1 . . . . . 131 LYS N . 53742 1 207 . 1 . 1 132 132 GLY H H 1 7.869573162 . . 1 . . . . . 132 GLY H . 53742 1 208 . 1 . 1 132 132 GLY N N 15 109.0431208 . . 1 . . . . . 132 GLY N . 53742 1 209 . 1 . 1 133 133 GLU H H 1 8.073281807 . . 1 . . . . . 133 GLU H . 53742 1 210 . 1 . 1 133 133 GLU N N 15 121.1641639 . . 1 . . . . . 133 GLU N . 53742 1 211 . 1 . 1 134 134 THR H H 1 7.654842712 . . 1 . . . . . 134 THR H . 53742 1 212 . 1 . 1 134 134 THR N N 15 120.3036957 . . 1 . . . . . 134 THR N . 53742 1 stop_ save_