data_53512 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53512 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for Human Arf1 (ADP-ribosylation factors) I42S Mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-01-22 _Entry.Accession_date 2026-01-22 _Entry.Last_release_date 2026-01-22 _Entry.Original_release_date 2026-01-22 _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 1 _Entry.Generated_software_label $software_1 _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 Edgar Peters . . . . 53512 2 Tejaswi Koduru . . . . 53512 3 Scott McCallum . A. . . 53512 4 Estella Yee . F. . . 53512 5 Jacqueline Cherfils . . . . 53512 6 Catherine Royer . A. . . 53512 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Royer Lab' . 53512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 133 53512 '1H chemical shifts' 133 53512 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 . . 2026-07-20 . original BMRB . 53512 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53512 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41689259 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mapping bidirectional allosteric communication in Arf GTPases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 125 _Citation.Journal_issue 6 _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 1506 _Citation.Page_last 1515 _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 Edgar Peters . . . . 53512 1 2 Tejaswi Koduru . . . . 53512 1 3 Scott McCallum . A. . . 53512 1 4 Estella Yee . F. . . 53512 1 5 Jacqueline Cherfils . . . . 53512 1 6 Catherine Royer . A. . . 53512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53512 _Assembly.ID 1 _Assembly.Name 'Arf6 I42S' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21138.2 _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 1 1 $entity_1 . . yes native no no . . . 53512 1 2 2 2 $entity_GDP . . no native no no . . . 53512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53512 _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 ; MGNIFANLFKGLFGKKEMRI LMVGLDAAGKTTILYKLKLG ESVTTIPTIGFNVETVEYKN ISFTVWDVGGQDKIRPLWRH YFQNTQGLIFVVDSNDRERV NEAREELMRMLAEDELRDAV LLVFANKQDLPNAMNAAEIT DKLGLHSLRHRNWYIQATCA TSGDGLYEGLDWLSNQLRNQ K ; _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 181 _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 . 53512 1 2 . GLY . 53512 1 3 . ASN . 53512 1 4 . ILE . 53512 1 5 . PHE . 53512 1 6 . ALA . 53512 1 7 . ASN . 53512 1 8 . LEU . 53512 1 9 . PHE . 53512 1 10 . LYS . 53512 1 11 . GLY . 53512 1 12 . LEU . 53512 1 13 . PHE . 53512 1 14 . GLY . 53512 1 15 . LYS . 53512 1 16 . LYS . 53512 1 17 . GLU . 53512 1 18 . MET . 53512 1 19 . ARG . 53512 1 20 . ILE . 53512 1 21 . LEU . 53512 1 22 . MET . 53512 1 23 . VAL . 53512 1 24 . GLY . 53512 1 25 . LEU . 53512 1 26 . ASP . 53512 1 27 . ALA . 53512 1 28 . ALA . 53512 1 29 . GLY . 53512 1 30 . LYS . 53512 1 31 . THR . 53512 1 32 . THR . 53512 1 33 . ILE . 53512 1 34 . LEU . 53512 1 35 . TYR . 53512 1 36 . LYS . 53512 1 37 . LEU . 53512 1 38 . LYS . 53512 1 39 . LEU . 53512 1 40 . GLY . 53512 1 41 . GLU . 53512 1 42 . SER . 53512 1 43 . VAL . 53512 1 44 . THR . 53512 1 45 . THR . 53512 1 46 . ILE . 53512 1 47 . PRO . 53512 1 48 . THR . 53512 1 49 . ILE . 53512 1 50 . GLY . 53512 1 51 . PHE . 53512 1 52 . ASN . 53512 1 53 . VAL . 53512 1 54 . GLU . 53512 1 55 . THR . 53512 1 56 . VAL . 53512 1 57 . GLU . 53512 1 58 . TYR . 53512 1 59 . LYS . 53512 1 60 . ASN . 53512 1 61 . ILE . 53512 1 62 . SER . 53512 1 63 . PHE . 53512 1 64 . THR . 53512 1 65 . VAL . 53512 1 66 . TRP . 53512 1 67 . ASP . 53512 1 68 . VAL . 53512 1 69 . GLY . 53512 1 70 . GLY . 53512 1 71 . GLN . 53512 1 72 . ASP . 53512 1 73 . LYS . 53512 1 74 . ILE . 53512 1 75 . ARG . 53512 1 76 . PRO . 53512 1 77 . LEU . 53512 1 78 . TRP . 53512 1 79 . ARG . 53512 1 80 . HIS . 53512 1 81 . TYR . 53512 1 82 . PHE . 53512 1 83 . GLN . 53512 1 84 . ASN . 53512 1 85 . THR . 53512 1 86 . GLN . 53512 1 87 . GLY . 53512 1 88 . LEU . 53512 1 89 . ILE . 53512 1 90 . PHE . 53512 1 91 . VAL . 53512 1 92 . VAL . 53512 1 93 . ASP . 53512 1 94 . SER . 53512 1 95 . ASN . 53512 1 96 . ASP . 53512 1 97 . ARG . 53512 1 98 . GLU . 53512 1 99 . ARG . 53512 1 100 . VAL . 53512 1 101 . ASN . 53512 1 102 . GLU . 53512 1 103 . ALA . 53512 1 104 . ARG . 53512 1 105 . GLU . 53512 1 106 . GLU . 53512 1 107 . LEU . 53512 1 108 . MET . 53512 1 109 . ARG . 53512 1 110 . MET . 53512 1 111 . LEU . 53512 1 112 . ALA . 53512 1 113 . GLU . 53512 1 114 . ASP . 53512 1 115 . GLU . 53512 1 116 . LEU . 53512 1 117 . ARG . 53512 1 118 . ASP . 53512 1 119 . ALA . 53512 1 120 . VAL . 53512 1 121 . LEU . 53512 1 122 . LEU . 53512 1 123 . VAL . 53512 1 124 . PHE . 53512 1 125 . ALA . 53512 1 126 . ASN . 53512 1 127 . LYS . 53512 1 128 . GLN . 53512 1 129 . ASP . 53512 1 130 . LEU . 53512 1 131 . PRO . 53512 1 132 . ASN . 53512 1 133 . ALA . 53512 1 134 . MET . 53512 1 135 . ASN . 53512 1 136 . ALA . 53512 1 137 . ALA . 53512 1 138 . GLU . 53512 1 139 . ILE . 53512 1 140 . THR . 53512 1 141 . ASP . 53512 1 142 . LYS . 53512 1 143 . LEU . 53512 1 144 . GLY . 53512 1 145 . LEU . 53512 1 146 . HIS . 53512 1 147 . SER . 53512 1 148 . LEU . 53512 1 149 . ARG . 53512 1 150 . HIS . 53512 1 151 . ARG . 53512 1 152 . ASN . 53512 1 153 . TRP . 53512 1 154 . TYR . 53512 1 155 . ILE . 53512 1 156 . GLN . 53512 1 157 . ALA . 53512 1 158 . THR . 53512 1 159 . CYS . 53512 1 160 . ALA . 53512 1 161 . THR . 53512 1 162 . SER . 53512 1 163 . GLY . 53512 1 164 . ASP . 53512 1 165 . GLY . 53512 1 166 . LEU . 53512 1 167 . TYR . 53512 1 168 . GLU . 53512 1 169 . GLY . 53512 1 170 . LEU . 53512 1 171 . ASP . 53512 1 172 . TRP . 53512 1 173 . LEU . 53512 1 174 . SER . 53512 1 175 . ASN . 53512 1 176 . GLN . 53512 1 177 . LEU . 53512 1 178 . ARG . 53512 1 179 . ASN . 53512 1 180 . GLN . 53512 1 181 . LYS . 53512 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 53512 1 . GLY 2 2 53512 1 . ASN 3 3 53512 1 . ILE 4 4 53512 1 . PHE 5 5 53512 1 . ALA 6 6 53512 1 . ASN 7 7 53512 1 . LEU 8 8 53512 1 . PHE 9 9 53512 1 . LYS 10 10 53512 1 . GLY 11 11 53512 1 . LEU 12 12 53512 1 . PHE 13 13 53512 1 . GLY 14 14 53512 1 . LYS 15 15 53512 1 . LYS 16 16 53512 1 . GLU 17 17 53512 1 . MET 18 18 53512 1 . ARG 19 19 53512 1 . ILE 20 20 53512 1 . LEU 21 21 53512 1 . MET 22 22 53512 1 . VAL 23 23 53512 1 . GLY 24 24 53512 1 . LEU 25 25 53512 1 . ASP 26 26 53512 1 . ALA 27 27 53512 1 . ALA 28 28 53512 1 . GLY 29 29 53512 1 . LYS 30 30 53512 1 . THR 31 31 53512 1 . THR 32 32 53512 1 . ILE 33 33 53512 1 . LEU 34 34 53512 1 . TYR 35 35 53512 1 . LYS 36 36 53512 1 . LEU 37 37 53512 1 . LYS 38 38 53512 1 . LEU 39 39 53512 1 . GLY 40 40 53512 1 . GLU 41 41 53512 1 . SER 42 42 53512 1 . VAL 43 43 53512 1 . THR 44 44 53512 1 . THR 45 45 53512 1 . ILE 46 46 53512 1 . PRO 47 47 53512 1 . THR 48 48 53512 1 . ILE 49 49 53512 1 . GLY 50 50 53512 1 . PHE 51 51 53512 1 . ASN 52 52 53512 1 . VAL 53 53 53512 1 . GLU 54 54 53512 1 . THR 55 55 53512 1 . VAL 56 56 53512 1 . GLU 57 57 53512 1 . TYR 58 58 53512 1 . LYS 59 59 53512 1 . ASN 60 60 53512 1 . ILE 61 61 53512 1 . SER 62 62 53512 1 . PHE 63 63 53512 1 . THR 64 64 53512 1 . VAL 65 65 53512 1 . TRP 66 66 53512 1 . ASP 67 67 53512 1 . VAL 68 68 53512 1 . GLY 69 69 53512 1 . GLY 70 70 53512 1 . GLN 71 71 53512 1 . ASP 72 72 53512 1 . LYS 73 73 53512 1 . ILE 74 74 53512 1 . ARG 75 75 53512 1 . PRO 76 76 53512 1 . LEU 77 77 53512 1 . TRP 78 78 53512 1 . ARG 79 79 53512 1 . HIS 80 80 53512 1 . TYR 81 81 53512 1 . PHE 82 82 53512 1 . GLN 83 83 53512 1 . ASN 84 84 53512 1 . THR 85 85 53512 1 . GLN 86 86 53512 1 . GLY 87 87 53512 1 . LEU 88 88 53512 1 . ILE 89 89 53512 1 . PHE 90 90 53512 1 . VAL 91 91 53512 1 . VAL 92 92 53512 1 . ASP 93 93 53512 1 . SER 94 94 53512 1 . ASN 95 95 53512 1 . ASP 96 96 53512 1 . ARG 97 97 53512 1 . GLU 98 98 53512 1 . ARG 99 99 53512 1 . VAL 100 100 53512 1 . ASN 101 101 53512 1 . GLU 102 102 53512 1 . ALA 103 103 53512 1 . ARG 104 104 53512 1 . GLU 105 105 53512 1 . GLU 106 106 53512 1 . LEU 107 107 53512 1 . MET 108 108 53512 1 . ARG 109 109 53512 1 . MET 110 110 53512 1 . LEU 111 111 53512 1 . ALA 112 112 53512 1 . GLU 113 113 53512 1 . ASP 114 114 53512 1 . GLU 115 115 53512 1 . LEU 116 116 53512 1 . ARG 117 117 53512 1 . ASP 118 118 53512 1 . ALA 119 119 53512 1 . VAL 120 120 53512 1 . LEU 121 121 53512 1 . LEU 122 122 53512 1 . VAL 123 123 53512 1 . PHE 124 124 53512 1 . ALA 125 125 53512 1 . ASN 126 126 53512 1 . LYS 127 127 53512 1 . GLN 128 128 53512 1 . ASP 129 129 53512 1 . LEU 130 130 53512 1 . PRO 131 131 53512 1 . ASN 132 132 53512 1 . ALA 133 133 53512 1 . MET 134 134 53512 1 . ASN 135 135 53512 1 . ALA 136 136 53512 1 . ALA 137 137 53512 1 . GLU 138 138 53512 1 . ILE 139 139 53512 1 . THR 140 140 53512 1 . ASP 141 141 53512 1 . LYS 142 142 53512 1 . LEU 143 143 53512 1 . GLY 144 144 53512 1 . LEU 145 145 53512 1 . HIS 146 146 53512 1 . SER 147 147 53512 1 . LEU 148 148 53512 1 . ARG 149 149 53512 1 . HIS 150 150 53512 1 . ARG 151 151 53512 1 . ASN 152 152 53512 1 . TRP 153 153 53512 1 . TYR 154 154 53512 1 . ILE 155 155 53512 1 . GLN 156 156 53512 1 . ALA 157 157 53512 1 . THR 158 158 53512 1 . CYS 159 159 53512 1 . ALA 160 160 53512 1 . THR 161 161 53512 1 . SER 162 162 53512 1 . GLY 163 163 53512 1 . ASP 164 164 53512 1 . GLY 165 165 53512 1 . LEU 166 166 53512 1 . TYR 167 167 53512 1 . GLU 168 168 53512 1 . GLY 169 169 53512 1 . LEU 170 170 53512 1 . ASP 171 171 53512 1 . TRP 172 172 53512 1 . LEU 173 173 53512 1 . SER 174 174 53512 1 . ASN 175 175 53512 1 . GLN 176 176 53512 1 . LEU 177 177 53512 1 . ARG 178 178 53512 1 . ASN 179 179 53512 1 . GLN 180 180 53512 1 . LYS 181 181 53512 1 stop_ save_ save_entity_GDP _Entity.Sf_category entity _Entity.Sf_framecode entity_GDP _Entity.Entry_ID 53512 _Entity.ID 2 _Entity.BMRB_code GDP _Entity.Name entity_GDP _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 443.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 53512 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 53512 2 GDP 'Three letter code' 53512 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GDP $chem_comp_GDP 53512 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53512 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53512 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 53512 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET-15b . . . 53512 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 53512 _Chem_comp.ID GDP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code GDP _Chem_comp.PDB_code GDP _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 G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/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 G _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 . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _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/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 53512 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 53512 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 53512 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 53512 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 53512 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 53512 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 53512 GDP 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 '[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 53512 GDP "guanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 53512 GDP 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 PB PB PB PB . P . . N 0 . . . 1 N N . . . . 13.635 . 17.027 . 28.402 . -5.743 -1.471 0.475 1 . 53512 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 14.317 . 18.299 . 28.131 . -6.829 -0.831 -0.300 2 . 53512 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 14.465 . 15.868 . 28.851 . -6.293 -1.885 1.930 3 . 53512 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 12.657 . 17.014 . 29.609 . -5.234 -2.787 -0.301 4 . 53512 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 13.031 . 16.438 . 26.904 . -4.519 -0.438 0.638 5 . 53512 GDP PA PA PA PA . P . . N 0 . . . 1 N N . . . . 12.164 . 17.382 . 25.843 . -3.821 0.633 -0.340 6 . 53512 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 11.308 . 16.310 . 25.239 . -3.718 0.063 -1.702 7 . 53512 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 11.654 . 18.737 . 26.082 . -4.708 1.976 -0.386 8 . 53512 GDP O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 13.417 . 17.470 . 24.852 . -2.348 0.981 0.208 9 . 53512 GDP C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 14.543 . 18.324 . 25.037 . -1.434 1.823 -0.497 10 . 53512 GDP C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 15.043 . 18.710 . 23.648 . -0.133 1.943 0.299 11 . 53512 GDP O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 15.183 . 17.536 . 22.793 . 0.533 0.670 0.344 12 . 53512 GDP C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 13.926 . 19.400 . 22.829 . 0.820 2.933 -0.399 13 . 53512 GDP O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 14.002 . 20.787 . 23.226 . 1.125 4.028 0.467 14 . 53512 GDP C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 14.511 . 19.303 . 21.406 . 2.091 2.098 -0.686 15 . 53512 GDP O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 15.627 . 20.165 . 21.220 . 3.271 2.861 -0.428 16 . 53512 GDP C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 15.015 . 17.874 . 21.438 . 1.952 0.935 0.329 17 . 53512 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 13.968 . 16.928 . 20.922 . 2.691 -0.243 -0.132 18 . 53512 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 13.129 . 16.056 . 21.555 . 2.200 -1.252 -0.908 19 . 53512 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 12.358 . 15.405 . 20.737 . 3.131 -2.134 -1.125 20 . 53512 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 12.701 . 15.869 . 19.474 . 4.272 -1.746 -0.504 21 . 53512 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 12.214 . 15.545 . 18.183 . 5.571 -2.295 -0.396 22 . 53512 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 11.326 . 14.728 . 17.882 . 5.850 -3.350 -0.939 23 . 53512 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 N N . . . . 12.870 . 16.282 . 17.187 . 6.495 -1.620 0.324 24 . 53512 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 13.858 . 17.205 . 17.402 . 6.171 -0.441 0.927 25 . 53512 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 N N . . . . 14.348 . 17.795 . 16.316 . 7.130 0.222 1.651 26 . 53512 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 N N . . . . 14.329 . 17.524 . 18.614 . 4.968 0.079 0.834 27 . 53512 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 13.701 . 16.819 . 19.565 . 4.003 -0.529 0.133 28 . 53512 GDP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 N N . . . . 15.376 . 16.131 . 28.902 . -7.033 -2.508 1.908 29 . 53512 GDP HOB3 HOB3 HOB3 HOB3 . H . . N 0 . . . 0 N N . . . . 12.643 . 17.873 . 30.015 . -4.521 -3.259 0.151 30 . 53512 GDP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 N N . . . . 10.749 . 18.789 . 25.799 . -4.818 2.404 0.474 31 . 53512 GDP H5' H5' H5' H5'1 . H . . N 0 . . . 1 N N . . . . 14.247 . 19.224 . 25.596 . -1.222 1.390 -1.475 32 . 53512 GDP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 N N . . . . 15.333 . 17.793 . 25.589 . -1.874 2.811 -0.625 33 . 53512 GDP H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 15.955 . 19.324 . 23.692 . -0.349 2.285 1.312 34 . 53512 GDP H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 12.939 . 18.927 . 22.938 . 0.380 3.294 -1.329 35 . 53512 GDP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 N Y . . . . 13.340 . 21.286 . 22.762 . 1.722 4.683 0.078 36 . 53512 GDP H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 13.729 . 19.439 . 20.644 . 2.088 1.724 -1.710 37 . 53512 GDP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 N N . . . . 15.954 . 20.073 . 20.333 . 3.357 3.652 -0.979 38 . 53512 GDP H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 15.948 . 17.778 . 20.863 . 2.295 1.244 1.316 39 . 53512 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 13.109 . 15.921 . 22.626 . 1.190 -1.310 -1.285 40 . 53512 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 N N . . . . 12.593 . 16.120 . 16.240 . 7.392 -1.977 0.412 41 . 53512 GDP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 N N . . . . 15.071 . 18.480 . 16.402 . 8.023 -0.150 1.728 42 . 53512 GDP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 N N . . . . 13.993 . 17.554 . 15.413 . 6.915 1.062 2.086 43 . 53512 GDP 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 PB O1B N N 1 . 53512 GDP 2 . SING PB O2B N N 2 . 53512 GDP 3 . SING PB O3B N N 3 . 53512 GDP 4 . SING PB O3A N N 4 . 53512 GDP 5 . SING O2B HOB2 N N 5 . 53512 GDP 6 . SING O3B HOB3 N N 6 . 53512 GDP 7 . SING O3A PA N N 7 . 53512 GDP 8 . DOUB PA O1A N N 8 . 53512 GDP 9 . SING PA O2A N N 9 . 53512 GDP 10 . SING PA O5' N N 10 . 53512 GDP 11 . SING O2A HOA2 N N 11 . 53512 GDP 12 . SING O5' C5' N N 12 . 53512 GDP 13 . SING C5' C4' N N 13 . 53512 GDP 14 . SING C5' H5' N N 14 . 53512 GDP 15 . SING C5' H5'' N N 15 . 53512 GDP 16 . SING C4' O4' N N 16 . 53512 GDP 17 . SING C4' C3' N N 17 . 53512 GDP 18 . SING C4' H4' N N 18 . 53512 GDP 19 . SING O4' C1' N N 19 . 53512 GDP 20 . SING C3' O3' N N 20 . 53512 GDP 21 . SING C3' C2' N N 21 . 53512 GDP 22 . SING C3' H3' N N 22 . 53512 GDP 23 . SING O3' HO3' N N 23 . 53512 GDP 24 . SING C2' O2' N N 24 . 53512 GDP 25 . SING C2' C1' N N 25 . 53512 GDP 26 . SING C2' H2' N N 26 . 53512 GDP 27 . SING O2' HO2' N N 27 . 53512 GDP 28 . SING C1' N9 N N 28 . 53512 GDP 29 . SING C1' H1' N N 29 . 53512 GDP 30 . SING N9 C8 Y N 30 . 53512 GDP 31 . SING N9 C4 Y N 31 . 53512 GDP 32 . DOUB C8 N7 Y N 32 . 53512 GDP 33 . SING C8 H8 N N 33 . 53512 GDP 34 . SING N7 C5 Y N 34 . 53512 GDP 35 . SING C5 C6 N N 35 . 53512 GDP 36 . DOUB C5 C4 Y N 36 . 53512 GDP 37 . DOUB C6 O6 N N 37 . 53512 GDP 38 . SING C6 N1 N N 38 . 53512 GDP 39 . SING N1 C2 N N 39 . 53512 GDP 40 . SING N1 HN1 N N 40 . 53512 GDP 41 . SING C2 N2 N N 41 . 53512 GDP 42 . DOUB C2 N3 N N 42 . 53512 GDP 43 . SING N2 HN21 N N 43 . 53512 GDP 44 . SING N2 HN22 N N 44 . 53512 GDP 45 . SING N3 C4 N N 45 . 53512 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53512 _Sample.ID 1 _Sample.Name '1H 15N Sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Arf6 I42S' '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 53512 1 2 "Guanosine 5'-Diphosphate" 'natural abundance' . . 2 $entity_GDP . . 0.5 . . mM . . . . 53512 1 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 53512 1 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 53512 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 53512 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 53512 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Normal Pressure and 25C' _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' 180 . mM 53512 1 pH 6.5 . pH 53512 1 pressure 1 . atm 53512 1 temperature 298 . K 53512 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53512 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53512 1 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 53512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE NEO 600 MHz' _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 53512 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53512 1 2 '3D 15N-separated NOESY' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53512 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 53512 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Human Arf1 I42S' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm -0.0068 internal direct 1 . . . . . 53512 1 N 15 water protons . . . . ppm -0.0194 internal indirect 0.1013 . . . . . 53512 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 53512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human Arf1 I42S' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53512 1 2 '3D 15N-separated NOESY' . . . 53512 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 . . 53512 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 PHE H H 1 7.857 0.03 . 1 . . . . . 5 F H . 53512 1 2 . 1 . 1 5 5 PHE N N 15 120.168 0.2 . 1 . . . . . 5 F N . 53512 1 3 . 1 . 1 6 6 ALA H H 1 7.738 0.03 . 1 . . . . . 6 A H . 53512 1 4 . 1 . 1 6 6 ALA N N 15 120.658 0.2 . 1 . . . . . 6 A N . 53512 1 5 . 1 . 1 9 9 PHE H H 1 7.529 0.03 . 1 . . . . . 9 F H . 53512 1 6 . 1 . 1 9 9 PHE N N 15 114.309 0.2 . 1 . . . . . 9 F N . 53512 1 7 . 1 . 1 10 10 LYS H H 1 7.085 0.03 . 1 . . . . . 10 K H . 53512 1 8 . 1 . 1 10 10 LYS N N 15 119.527 0.2 . 1 . . . . . 10 K N . 53512 1 9 . 1 . 1 12 12 LEU H H 1 7.843 0.03 . 1 . . . . . 12 L H . 53512 1 10 . 1 . 1 12 12 LEU N N 15 118.476 0.2 . 1 . . . . . 12 L N . 53512 1 11 . 1 . 1 13 13 PHE H H 1 7.356 0.03 . 1 . . . . . 13 F H . 53512 1 12 . 1 . 1 13 13 PHE N N 15 119.863 0.2 . 1 . . . . . 13 F N . 53512 1 13 . 1 . 1 14 14 GLY H H 1 7.875 0.03 . 1 . . . . . 14 G H . 53512 1 14 . 1 . 1 14 14 GLY N N 15 109.180 0.2 . 1 . . . . . 14 G N . 53512 1 15 . 1 . 1 16 16 LYS H H 1 7.882 0.03 . 1 . . . . . 16 K H . 53512 1 16 . 1 . 1 16 16 LYS N N 15 119.651 0.2 . 1 . . . . . 16 K N . 53512 1 17 . 1 . 1 17 17 GLU H H 1 8.536 0.03 . 1 . . . . . 17 E H . 53512 1 18 . 1 . 1 17 17 GLU N N 15 124.268 0.2 . 1 . . . . . 17 E N . 53512 1 19 . 1 . 1 18 18 MET H H 1 8.630 0.03 . 1 . . . . . 18 M H . 53512 1 20 . 1 . 1 18 18 MET N N 15 123.967 0.2 . 1 . . . . . 18 M N . 53512 1 21 . 1 . 1 19 19 ARG H H 1 8.769 0.03 . 1 . . . . . 19 R H . 53512 1 22 . 1 . 1 19 19 ARG N N 15 123.957 0.2 . 1 . . . . . 19 R N . 53512 1 23 . 1 . 1 21 21 LEU H H 1 8.159 0.03 . 1 . . . . . 21 L H . 53512 1 24 . 1 . 1 21 21 LEU N N 15 127.883 0.2 . 1 . . . . . 21 L N . 53512 1 25 . 1 . 1 22 22 MET H H 1 9.065 0.03 . 1 . . . . . 22 M H . 53512 1 26 . 1 . 1 22 22 MET N N 15 126.050 0.2 . 1 . . . . . 22 M N . 53512 1 27 . 1 . 1 24 24 GLY H H 1 6.423 0.03 . 1 . . . . . 24 G H . 53512 1 28 . 1 . 1 24 24 GLY N N 15 102.885 0.2 . 1 . . . . . 24 G N . 53512 1 29 . 1 . 1 25 25 LEU H H 1 10.123 0.03 . 1 . . . . . 25 L H . 53512 1 30 . 1 . 1 25 25 LEU N N 15 124.464 0.2 . 1 . . . . . 25 L N . 53512 1 31 . 1 . 1 26 26 ASP H H 1 8.776 0.03 . 1 . . . . . 26 D H . 53512 1 32 . 1 . 1 26 26 ASP N N 15 120.134 0.2 . 1 . . . . . 26 D N . 53512 1 33 . 1 . 1 27 27 ALA H H 1 10.650 0.03 . 1 . . . . . 27 A H . 53512 1 34 . 1 . 1 27 27 ALA N N 15 122.791 0.2 . 1 . . . . . 27 A N . 53512 1 35 . 1 . 1 28 28 ALA H H 1 7.422 0.03 . 1 . . . . . 28 A H . 53512 1 36 . 1 . 1 28 28 ALA N N 15 123.161 0.2 . 1 . . . . . 28 A N . 53512 1 37 . 1 . 1 29 29 GLY H H 1 8.584 0.03 . 1 . . . . . 29 G H . 53512 1 38 . 1 . 1 29 29 GLY N N 15 102.955 0.2 . 1 . . . . . 29 G N . 53512 1 39 . 1 . 1 33 33 ILE H H 1 7.802 0.03 . 1 . . . . . 33 I H . 53512 1 40 . 1 . 1 33 33 ILE N N 15 121.624 0.2 . 1 . . . . . 33 I N . 53512 1 41 . 1 . 1 35 35 TYR H H 1 8.195 0.03 . 1 . . . . . 35 Y H . 53512 1 42 . 1 . 1 35 35 TYR N N 15 116.347 0.2 . 1 . . . . . 35 Y N . 53512 1 43 . 1 . 1 38 38 LYS H H 1 7.044 0.03 . 1 . . . . . 38 K H . 53512 1 44 . 1 . 1 38 38 LYS N N 15 110.145 0.2 . 1 . . . . . 38 K N . 53512 1 45 . 1 . 1 41 41 GLU H H 1 8.452 0.03 . 1 . . . . . 41 E H . 53512 1 46 . 1 . 1 41 41 GLU N N 15 120.667 0.2 . 1 . . . . . 41 E N . 53512 1 47 . 1 . 1 45 45 THR H H 1 9.068 0.03 . 1 . . . . . 45 T H . 53512 1 48 . 1 . 1 45 45 THR N N 15 121.144 0.2 . 1 . . . . . 45 T N . 53512 1 49 . 1 . 1 49 49 ILE H H 1 7.875 0.03 . 1 . . . . . 49 I H . 53512 1 50 . 1 . 1 49 49 ILE N N 15 123.862 0.2 . 1 . . . . . 49 I N . 53512 1 51 . 1 . 1 53 53 VAL H H 1 8.812 0.03 . 1 . . . . . 53 V H . 53512 1 52 . 1 . 1 53 53 VAL N N 15 124.760 0.2 . 1 . . . . . 53 V N . 53512 1 53 . 1 . 1 54 54 GLU H H 1 8.703 0.03 . 1 . . . . . 54 E H . 53512 1 54 . 1 . 1 54 54 GLU N N 15 126.154 0.2 . 1 . . . . . 54 E N . 53512 1 55 . 1 . 1 56 56 VAL H H 1 8.551 0.03 . 1 . . . . . 56 V H . 53512 1 56 . 1 . 1 56 56 VAL N N 15 122.473 0.2 . 1 . . . . . 56 V N . 53512 1 57 . 1 . 1 58 58 TYR H H 1 9.144 0.03 . 1 . . . . . 58 Y H . 53512 1 58 . 1 . 1 58 58 TYR N N 15 125.954 0.2 . 1 . . . . . 58 Y N . 53512 1 59 . 1 . 1 59 59 LYS H H 1 8.656 0.03 . 1 . . . . . 59 K H . 53512 1 60 . 1 . 1 59 59 LYS N N 15 122.440 0.2 . 1 . . . . . 59 K N . 53512 1 61 . 1 . 1 60 60 ASN H H 1 8.982 0.03 . 1 . . . . . 60 N H . 53512 1 62 . 1 . 1 60 60 ASN N N 15 118.467 0.2 . 1 . . . . . 60 N N . 53512 1 63 . 1 . 1 61 61 ILE H H 1 8.545 0.03 . 1 . . . . . 61 I H . 53512 1 64 . 1 . 1 61 61 ILE N N 15 123.308 0.2 . 1 . . . . . 61 I N . 53512 1 65 . 1 . 1 62 62 SER H H 1 8.356 0.03 . 1 . . . . . 62 S H . 53512 1 66 . 1 . 1 62 62 SER N N 15 120.300 0.2 . 1 . . . . . 62 S N . 53512 1 67 . 1 . 1 65 65 VAL H H 1 9.325 0.03 . 1 . . . . . 65 V H . 53512 1 68 . 1 . 1 65 65 VAL N N 15 126.818 0.2 . 1 . . . . . 65 V N . 53512 1 69 . 1 . 1 68 68 VAL H H 1 7.814 0.03 . 1 . . . . . 68 V H . 53512 1 70 . 1 . 1 68 68 VAL N N 15 114.497 0.2 . 1 . . . . . 68 V N . 53512 1 71 . 1 . 1 69 69 GLY H H 1 8.172 0.03 . 1 . . . . . 69 G H . 53512 1 72 . 1 . 1 69 69 GLY N N 15 107.515 0.2 . 1 . . . . . 69 G N . 53512 1 73 . 1 . 1 70 70 GLY H H 1 8.699 0.03 . 1 . . . . . 70 G H . 53512 1 74 . 1 . 1 70 70 GLY N N 15 110.052 0.2 . 1 . . . . . 70 G N . 53512 1 75 . 1 . 1 71 71 GLN H H 1 8.460 0.03 . 1 . . . . . 71 Q H . 53512 1 76 . 1 . 1 71 71 GLN N N 15 119.407 0.2 . 1 . . . . . 71 Q N . 53512 1 77 . 1 . 1 72 72 ASP H H 1 8.479 0.03 . 1 . . . . . 72 D H . 53512 1 78 . 1 . 1 72 72 ASP N N 15 121.229 0.2 . 1 . . . . . 72 D N . 53512 1 79 . 1 . 1 75 75 ARG H H 1 9.528 0.03 . 1 . . . . . 75 R H . 53512 1 80 . 1 . 1 75 75 ARG N N 15 116.633 0.2 . 1 . . . . . 75 R N . 53512 1 81 . 1 . 1 81 81 TYR H H 1 7.336 0.03 . 1 . . . . . 81 Y H . 53512 1 82 . 1 . 1 81 81 TYR N N 15 115.900 0.2 . 1 . . . . . 81 Y N . 53512 1 83 . 1 . 1 82 82 PHE H H 1 7.540 0.03 . 1 . . . . . 82 F H . 53512 1 84 . 1 . 1 82 82 PHE N N 15 115.620 0.2 . 1 . . . . . 82 F N . 53512 1 85 . 1 . 1 83 83 GLN H H 1 7.457 0.03 . 1 . . . . . 83 Q H . 53512 1 86 . 1 . 1 83 83 GLN N N 15 118.509 0.2 . 1 . . . . . 83 Q N . 53512 1 87 . 1 . 1 84 84 ASN H H 1 8.757 0.03 . 1 . . . . . 84 N H . 53512 1 88 . 1 . 1 84 84 ASN N N 15 117.549 0.2 . 1 . . . . . 84 N N . 53512 1 89 . 1 . 1 85 85 THR H H 1 7.896 0.03 . 1 . . . . . 85 T H . 53512 1 90 . 1 . 1 85 85 THR N N 15 117.228 0.2 . 1 . . . . . 85 T N . 53512 1 91 . 1 . 1 86 86 GLN H H 1 8.586 0.03 . 1 . . . . . 86 Q H . 53512 1 92 . 1 . 1 86 86 GLN N N 15 124.703 0.2 . 1 . . . . . 86 Q N . 53512 1 93 . 1 . 1 87 87 GLY H H 1 7.559 0.03 . 1 . . . . . 87 G H . 53512 1 94 . 1 . 1 87 87 GLY N N 15 104.106 0.2 . 1 . . . . . 87 G N . 53512 1 95 . 1 . 1 88 88 LEU H H 1 9.230 0.03 . 1 . . . . . 88 L H . 53512 1 96 . 1 . 1 88 88 LEU N N 15 126.483 0.2 . 1 . . . . . 88 L N . 53512 1 97 . 1 . 1 89 89 ILE H H 1 9.551 0.03 . 1 . . . . . 89 I H . 53512 1 98 . 1 . 1 89 89 ILE N N 15 125.705 0.2 . 1 . . . . . 89 I N . 53512 1 99 . 1 . 1 90 90 PHE H H 1 9.230 0.03 . 1 . . . . . 90 F H . 53512 1 100 . 1 . 1 90 90 PHE N N 15 129.599 0.2 . 1 . . . . . 90 F N . 53512 1 101 . 1 . 1 91 91 VAL H H 1 8.372 0.03 . 1 . . . . . 91 V H . 53512 1 102 . 1 . 1 91 91 VAL N N 15 128.531 0.2 . 1 . . . . . 91 V N . 53512 1 103 . 1 . 1 92 92 VAL H H 1 8.734 0.03 . 1 . . . . . 92 V H . 53512 1 104 . 1 . 1 92 92 VAL N N 15 123.271 0.2 . 1 . . . . . 92 V N . 53512 1 105 . 1 . 1 93 93 ASP H H 1 9.116 0.03 . 1 . . . . . 93 D H . 53512 1 106 . 1 . 1 93 93 ASP N N 15 124.209 0.2 . 1 . . . . . 93 D N . 53512 1 107 . 1 . 1 94 94 SER H H 1 8.422 0.03 . 1 . . . . . 94 S H . 53512 1 108 . 1 . 1 94 94 SER N N 15 123.812 0.2 . 1 . . . . . 94 S N . 53512 1 109 . 1 . 1 95 95 ASN H H 1 9.102 0.03 . 1 . . . . . 95 N H . 53512 1 110 . 1 . 1 95 95 ASN N N 15 117.880 0.2 . 1 . . . . . 95 N N . 53512 1 111 . 1 . 1 96 96 ASP H H 1 6.892 0.03 . 1 . . . . . 96 D H . 53512 1 112 . 1 . 1 96 96 ASP N N 15 119.414 0.2 . 1 . . . . . 96 D N . 53512 1 113 . 1 . 1 97 97 ARG H H 1 8.053 0.03 . 1 . . . . . 97 R H . 53512 1 114 . 1 . 1 97 97 ARG N N 15 124.284 0.2 . 1 . . . . . 97 R N . 53512 1 115 . 1 . 1 98 98 GLU H H 1 8.402 0.03 . 1 . . . . . 98 E H . 53512 1 116 . 1 . 1 98 98 GLU N N 15 118.661 0.2 . 1 . . . . . 98 E N . 53512 1 117 . 1 . 1 99 99 ARG H H 1 7.333 0.03 . 1 . . . . . 99 R H . 53512 1 118 . 1 . 1 99 99 ARG N N 15 114.277 0.2 . 1 . . . . . 99 R N . 53512 1 119 . 1 . 1 100 100 VAL H H 1 6.998 0.03 . 1 . . . . . 100 V H . 53512 1 120 . 1 . 1 100 100 VAL N N 15 121.561 0.2 . 1 . . . . . 100 V N . 53512 1 121 . 1 . 1 102 102 GLU H H 1 7.668 0.03 . 1 . . . . . 102 E H . 53512 1 122 . 1 . 1 102 102 GLU N N 15 123.065 0.2 . 1 . . . . . 102 E N . 53512 1 123 . 1 . 1 103 103 ALA H H 1 8.026 0.03 . 1 . . . . . 103 A H . 53512 1 124 . 1 . 1 103 103 ALA N N 15 122.042 0.2 . 1 . . . . . 103 A N . 53512 1 125 . 1 . 1 104 104 ARG H H 1 8.074 0.03 . 1 . . . . . 104 R H . 53512 1 126 . 1 . 1 104 104 ARG N N 15 116.948 0.2 . 1 . . . . . 104 R N . 53512 1 127 . 1 . 1 105 105 GLU H H 1 8.062 0.03 . 1 . . . . . 105 E H . 53512 1 128 . 1 . 1 105 105 GLU N N 15 117.943 0.2 . 1 . . . . . 105 E N . 53512 1 129 . 1 . 1 106 106 GLU H H 1 8.272 0.03 . 1 . . . . . 106 E H . 53512 1 130 . 1 . 1 106 106 GLU N N 15 117.439 0.2 . 1 . . . . . 106 E N . 53512 1 131 . 1 . 1 107 107 LEU H H 1 8.356 0.03 . 1 . . . . . 107 L H . 53512 1 132 . 1 . 1 107 107 LEU N N 15 122.776 0.2 . 1 . . . . . 107 L N . 53512 1 133 . 1 . 1 108 108 MET H H 1 8.448 0.03 . 1 . . . . . 108 M H . 53512 1 134 . 1 . 1 108 108 MET N N 15 115.475 0.2 . 1 . . . . . 108 M N . 53512 1 135 . 1 . 1 109 109 ARG H H 1 7.943 0.03 . 1 . . . . . 109 R H . 53512 1 136 . 1 . 1 109 109 ARG N N 15 119.484 0.2 . 1 . . . . . 109 R N . 53512 1 137 . 1 . 1 111 111 LEU H H 1 7.963 0.03 . 1 . . . . . 111 L H . 53512 1 138 . 1 . 1 111 111 LEU N N 15 114.112 0.2 . 1 . . . . . 111 L N . 53512 1 139 . 1 . 1 112 112 ALA H H 1 7.099 0.03 . 1 . . . . . 112 A H . 53512 1 140 . 1 . 1 112 112 ALA N N 15 120.268 0.2 . 1 . . . . . 112 A N . 53512 1 141 . 1 . 1 113 113 GLU H H 1 7.342 0.03 . 1 . . . . . 113 E H . 53512 1 142 . 1 . 1 113 113 GLU N N 15 118.675 0.2 . 1 . . . . . 113 E N . 53512 1 143 . 1 . 1 117 117 ARG H H 1 7.443 0.03 . 1 . . . . . 117 R H . 53512 1 144 . 1 . 1 117 117 ARG N N 15 122.825 0.2 . 1 . . . . . 117 R N . 53512 1 145 . 1 . 1 118 118 ASP H H 1 8.441 0.03 . 1 . . . . . 118 D H . 53512 1 146 . 1 . 1 118 118 ASP N N 15 115.277 0.2 . 1 . . . . . 118 D N . 53512 1 147 . 1 . 1 119 119 ALA H H 1 7.142 0.03 . 1 . . . . . 119 A H . 53512 1 148 . 1 . 1 119 119 ALA N N 15 122.303 0.2 . 1 . . . . . 119 A N . 53512 1 149 . 1 . 1 120 120 VAL H H 1 7.584 0.03 . 1 . . . . . 120 V H . 53512 1 150 . 1 . 1 120 120 VAL N N 15 122.378 0.2 . 1 . . . . . 120 V N . 53512 1 151 . 1 . 1 121 121 LEU H H 1 8.486 0.03 . 1 . . . . . 121 L H . 53512 1 152 . 1 . 1 121 121 LEU N N 15 126.865 0.2 . 1 . . . . . 121 L N . 53512 1 153 . 1 . 1 122 122 LEU H H 1 9.207 0.03 . 1 . . . . . 122 L H . 53512 1 154 . 1 . 1 122 122 LEU N N 15 128.962 0.2 . 1 . . . . . 122 L N . 53512 1 155 . 1 . 1 123 123 VAL H H 1 9.052 0.03 . 1 . . . . . 123 V H . 53512 1 156 . 1 . 1 123 123 VAL N N 15 125.775 0.2 . 1 . . . . . 123 V N . 53512 1 157 . 1 . 1 124 124 PHE H H 1 8.720 0.03 . 1 . . . . . 124 F H . 53512 1 158 . 1 . 1 124 124 PHE N N 15 125.427 0.2 . 1 . . . . . 124 F N . 53512 1 159 . 1 . 1 125 125 ALA H H 1 8.628 0.03 . 1 . . . . . 125 A H . 53512 1 160 . 1 . 1 125 125 ALA N N 15 129.103 0.2 . 1 . . . . . 125 A N . 53512 1 161 . 1 . 1 126 126 ASN H H 1 8.714 0.03 . 1 . . . . . 126 N H . 53512 1 162 . 1 . 1 126 126 ASN N N 15 121.858 0.2 . 1 . . . . . 126 N N . 53512 1 163 . 1 . 1 127 127 LYS H H 1 7.645 0.03 . 1 . . . . . 127 K H . 53512 1 164 . 1 . 1 127 127 LYS N N 15 117.150 0.2 . 1 . . . . . 127 K N . 53512 1 165 . 1 . 1 128 128 GLN H H 1 7.983 0.03 . 1 . . . . . 128 Q H . 53512 1 166 . 1 . 1 128 128 GLN N N 15 112.992 0.2 . 1 . . . . . 128 Q N . 53512 1 167 . 1 . 1 129 129 ASP H H 1 9.759 0.03 . 1 . . . . . 129 D H . 53512 1 168 . 1 . 1 129 129 ASP N N 15 114.086 0.2 . 1 . . . . . 129 D N . 53512 1 169 . 1 . 1 130 130 LEU H H 1 7.239 0.03 . 1 . . . . . 130 L H . 53512 1 170 . 1 . 1 130 130 LEU N N 15 122.482 0.2 . 1 . . . . . 130 L N . 53512 1 171 . 1 . 1 132 132 ASN H H 1 8.533 0.03 . 1 . . . . . 132 N H . 53512 1 172 . 1 . 1 132 132 ASN N N 15 115.110 0.2 . 1 . . . . . 132 N N . 53512 1 173 . 1 . 1 133 133 ALA H H 1 7.276 0.03 . 1 . . . . . 133 A H . 53512 1 174 . 1 . 1 133 133 ALA N N 15 122.096 0.2 . 1 . . . . . 133 A N . 53512 1 175 . 1 . 1 134 134 MET H H 1 8.187 0.03 . 1 . . . . . 134 M H . 53512 1 176 . 1 . 1 134 134 MET N N 15 122.760 0.2 . 1 . . . . . 134 M N . 53512 1 177 . 1 . 1 135 135 ASN H H 1 8.712 0.03 . 1 . . . . . 135 N H . 53512 1 178 . 1 . 1 135 135 ASN N N 15 118.909 0.2 . 1 . . . . . 135 N N . 53512 1 179 . 1 . 1 136 136 ALA H H 1 8.888 0.03 . 1 . . . . . 136 A H . 53512 1 180 . 1 . 1 136 136 ALA N N 15 119.507 0.2 . 1 . . . . . 136 A N . 53512 1 181 . 1 . 1 137 137 ALA H H 1 8.379 0.03 . 1 . . . . . 137 A H . 53512 1 182 . 1 . 1 137 137 ALA N N 15 124.125 0.2 . 1 . . . . . 137 A N . 53512 1 183 . 1 . 1 138 138 GLU H H 1 8.299 0.03 . 1 . . . . . 138 E H . 53512 1 184 . 1 . 1 138 138 GLU N N 15 121.727 0.2 . 1 . . . . . 138 E N . 53512 1 185 . 1 . 1 139 139 ILE H H 1 8.370 0.03 . 1 . . . . . 139 I H . 53512 1 186 . 1 . 1 139 139 ILE N N 15 119.438 0.2 . 1 . . . . . 139 I N . 53512 1 187 . 1 . 1 140 140 THR H H 1 8.167 0.03 . 1 . . . . . 140 T H . 53512 1 188 . 1 . 1 140 140 THR N N 15 117.217 0.2 . 1 . . . . . 140 T N . 53512 1 189 . 1 . 1 141 141 ASP H H 1 7.341 0.03 . 1 . . . . . 141 D H . 53512 1 190 . 1 . 1 141 141 ASP N N 15 120.741 0.2 . 1 . . . . . 141 D N . 53512 1 191 . 1 . 1 142 142 LYS H H 1 8.514 0.03 . 1 . . . . . 142 K H . 53512 1 192 . 1 . 1 142 142 LYS N N 15 119.216 0.2 . 1 . . . . . 142 K N . 53512 1 193 . 1 . 1 143 143 LEU H H 1 8.302 0.03 . 1 . . . . . 143 L H . 53512 1 194 . 1 . 1 143 143 LEU N N 15 115.196 0.2 . 1 . . . . . 143 L N . 53512 1 195 . 1 . 1 144 144 GLY H H 1 7.310 0.03 . 1 . . . . . 144 G H . 53512 1 196 . 1 . 1 144 144 GLY N N 15 104.061 0.2 . 1 . . . . . 144 G N . 53512 1 197 . 1 . 1 145 145 LEU H H 1 7.184 0.03 . 1 . . . . . 145 L H . 53512 1 198 . 1 . 1 145 145 LEU N N 15 116.076 0.2 . 1 . . . . . 145 L N . 53512 1 199 . 1 . 1 146 146 HIS H H 1 8.148 0.03 . 1 . . . . . 146 H H . 53512 1 200 . 1 . 1 146 146 HIS N N 15 111.933 0.2 . 1 . . . . . 146 H N . 53512 1 201 . 1 . 1 147 147 SER H H 1 7.566 0.03 . 1 . . . . . 147 S H . 53512 1 202 . 1 . 1 147 147 SER N N 15 113.410 0.2 . 1 . . . . . 147 S N . 53512 1 203 . 1 . 1 148 148 LEU H H 1 7.168 0.03 . 1 . . . . . 148 L H . 53512 1 204 . 1 . 1 148 148 LEU N N 15 122.327 0.2 . 1 . . . . . 148 L N . 53512 1 205 . 1 . 1 149 149 ARG H H 1 8.326 0.03 . 1 . . . . . 149 R H . 53512 1 206 . 1 . 1 149 149 ARG N N 15 122.213 0.2 . 1 . . . . . 149 R N . 53512 1 207 . 1 . 1 151 151 ARG H H 1 7.807 0.03 . 1 . . . . . 151 R H . 53512 1 208 . 1 . 1 151 151 ARG N N 15 118.528 0.2 . 1 . . . . . 151 R N . 53512 1 209 . 1 . 1 152 152 ASN H H 1 9.249 0.03 . 1 . . . . . 152 N H . 53512 1 210 . 1 . 1 152 152 ASN N N 15 127.801 0.2 . 1 . . . . . 152 N N . 53512 1 211 . 1 . 1 153 153 TRP H H 1 7.883 0.03 . 1 . . . . . 153 W H . 53512 1 212 . 1 . 1 153 153 TRP N N 15 121.615 0.2 . 1 . . . . . 153 W N . 53512 1 213 . 1 . 1 154 154 TYR H H 1 8.031 0.03 . 1 . . . . . 154 Y H . 53512 1 214 . 1 . 1 154 154 TYR N N 15 121.775 0.2 . 1 . . . . . 154 Y N . 53512 1 215 . 1 . 1 155 155 ILE H H 1 7.021 0.03 . 1 . . . . . 155 I H . 53512 1 216 . 1 . 1 155 155 ILE N N 15 123.330 0.2 . 1 . . . . . 155 I N . 53512 1 217 . 1 . 1 156 156 GLN H H 1 8.761 0.03 . 1 . . . . . 156 Q H . 53512 1 218 . 1 . 1 156 156 GLN N N 15 126.062 0.2 . 1 . . . . . 156 Q N . 53512 1 219 . 1 . 1 157 157 ALA H H 1 8.988 0.03 . 1 . . . . . 157 A H . 53512 1 220 . 1 . 1 157 157 ALA N N 15 133.412 0.2 . 1 . . . . . 157 A N . 53512 1 221 . 1 . 1 158 158 THR H H 1 8.676 0.03 . 1 . . . . . 158 T H . 53512 1 222 . 1 . 1 158 158 THR N N 15 116.324 0.2 . 1 . . . . . 158 T N . 53512 1 223 . 1 . 1 159 159 CYS H H 1 8.319 0.03 . 1 . . . . . 159 C H . 53512 1 224 . 1 . 1 159 159 CYS N N 15 120.958 0.2 . 1 . . . . . 159 C N . 53512 1 225 . 1 . 1 160 160 ALA H H 1 9.462 0.03 . 1 . . . . . 160 A H . 53512 1 226 . 1 . 1 160 160 ALA N N 15 132.347 0.2 . 1 . . . . . 160 A N . 53512 1 227 . 1 . 1 161 161 THR H H 1 7.084 0.03 . 1 . . . . . 161 T H . 53512 1 228 . 1 . 1 161 161 THR N N 15 103.949 0.2 . 1 . . . . . 161 T N . 53512 1 229 . 1 . 1 162 162 SER H H 1 7.526 0.03 . 1 . . . . . 162 S H . 53512 1 230 . 1 . 1 162 162 SER N N 15 115.361 0.2 . 1 . . . . . 162 S N . 53512 1 231 . 1 . 1 163 163 GLY H H 1 8.332 0.03 . 1 . . . . . 163 G H . 53512 1 232 . 1 . 1 163 163 GLY N N 15 112.667 0.2 . 1 . . . . . 163 G N . 53512 1 233 . 1 . 1 164 164 ASP H H 1 7.900 0.03 . 1 . . . . . 164 D H . 53512 1 234 . 1 . 1 164 164 ASP N N 15 124.671 0.2 . 1 . . . . . 164 D N . 53512 1 235 . 1 . 1 165 165 GLY H H 1 8.875 0.03 . 1 . . . . . 165 G H . 53512 1 236 . 1 . 1 165 165 GLY N N 15 113.724 0.2 . 1 . . . . . 165 G N . 53512 1 237 . 1 . 1 166 166 LEU H H 1 7.398 0.03 . 1 . . . . . 166 L H . 53512 1 238 . 1 . 1 166 166 LEU N N 15 118.610 0.2 . 1 . . . . . 166 L N . 53512 1 239 . 1 . 1 167 167 TYR H H 1 9.054 0.03 . 1 . . . . . 167 Y H . 53512 1 240 . 1 . 1 167 167 TYR N N 15 118.950 0.2 . 1 . . . . . 167 Y N . 53512 1 241 . 1 . 1 168 168 GLU H H 1 9.659 0.03 . 1 . . . . . 168 E H . 53512 1 242 . 1 . 1 168 168 GLU N N 15 119.622 0.2 . 1 . . . . . 168 E N . 53512 1 243 . 1 . 1 169 169 GLY H H 1 8.209 0.03 . 1 . . . . . 169 G H . 53512 1 244 . 1 . 1 169 169 GLY N N 15 105.635 0.2 . 1 . . . . . 169 G N . 53512 1 245 . 1 . 1 170 170 LEU H H 1 8.347 0.03 . 1 . . . . . 170 L H . 53512 1 246 . 1 . 1 170 170 LEU N N 15 121.244 0.2 . 1 . . . . . 170 L N . 53512 1 247 . 1 . 1 171 171 ASP H H 1 9.151 0.03 . 1 . . . . . 171 D H . 53512 1 248 . 1 . 1 171 171 ASP N N 15 123.506 0.2 . 1 . . . . . 171 D N . 53512 1 249 . 1 . 1 172 172 TRP H H 1 7.309 0.03 . 1 . . . . . 172 W H . 53512 1 250 . 1 . 1 172 172 TRP N N 15 119.814 0.2 . 1 . . . . . 172 W N . 53512 1 251 . 1 . 1 173 173 LEU H H 1 8.137 0.03 . 1 . . . . . 173 L H . 53512 1 252 . 1 . 1 173 173 LEU N N 15 119.018 0.2 . 1 . . . . . 173 L N . 53512 1 253 . 1 . 1 174 174 SER H H 1 8.728 0.03 . 1 . . . . . 174 S H . 53512 1 254 . 1 . 1 174 174 SER N N 15 113.844 0.2 . 1 . . . . . 174 S N . 53512 1 255 . 1 . 1 176 176 GLN H H 1 7.481 0.03 . 1 . . . . . 176 Q H . 53512 1 256 . 1 . 1 176 176 GLN N N 15 117.082 0.2 . 1 . . . . . 176 Q N . 53512 1 257 . 1 . 1 177 177 LEU H H 1 7.789 0.03 . 1 . . . . . 177 L H . 53512 1 258 . 1 . 1 177 177 LEU N N 15 117.956 0.2 . 1 . . . . . 177 L N . 53512 1 259 . 1 . 1 178 178 ARG H H 1 7.672 0.03 . 1 . . . . . 178 R H . 53512 1 260 . 1 . 1 178 178 ARG N N 15 118.330 0.2 . 1 . . . . . 178 R N . 53512 1 261 . 1 . 1 179 179 ASN H H 1 7.398 0.03 . 1 . . . . . 179 N H . 53512 1 262 . 1 . 1 179 179 ASN N N 15 116.126 0.2 . 1 . . . . . 179 N N . 53512 1 263 . 1 . 1 180 180 GLN H H 1 7.482 0.03 . 1 . . . . . 180 Q H . 53512 1 264 . 1 . 1 180 180 GLN N N 15 120.040 0.2 . 1 . . . . . 180 Q N . 53512 1 265 . 1 . 1 181 181 LYS H H 1 7.884 0.03 . 1 . . . . . 181 K H . 53512 1 266 . 1 . 1 181 181 LYS N N 15 128.008 0.2 . 1 . . . . . 181 K N . 53512 1 stop_ save_