data_27881 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27881 _Entry.Title ; Iron is a physiological ligand of SecA-like Metal Binding Domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-19 _Entry.Accession_date 2019-04-19 _Entry.Last_release_date 2019-04-22 _Entry.Original_release_date 2019-04-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Damon Huber . . . . 27881 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27881 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 54 27881 '15N chemical shifts' 18 27881 '1H chemical shifts' 18 27881 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-08-14 2019-04-19 update BMRB 'update entry citation' 27881 1 . . 2020-03-30 2019-04-19 original author 'original release' 27881 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27881 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32241912 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Iron is a ligand of SecA-like metal-binding domains in vivo ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 7516 _Citation.Page_last 7528 _Citation.Year 2020 _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 Tamar Cranford-Smith . . . . 27881 1 2 Mohammed Jamshad . . . . 27881 1 3 Mark Jeeves . . . . 27881 1 4 Rachael Chandler . A. . . 27881 1 5 Jack Yule . . . . 27881 1 6 Ashley Robinson . . . . 27881 1 7 Farhana Alam . . . . 27881 1 8 Karl Dunne . A. . . 27881 1 9 Edwin 'Aponte Angarita' . H. . . 27881 1 10 Mashael Alanazi . . . . 27881 1 11 Cailean Carter . . . . 27881 1 12 Ian Henderson . R. . . 27881 1 13 Janet Lovett . E. . . 27881 1 14 Peter Winn . . . . 27881 1 15 Timothy Knowles . . . . 27881 1 16 Damon Huber . . . . 27881 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27881 _Assembly.ID 1 _Assembly.Name 'YecA Monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 YecA 1 $YecA A . yes native no no . . . 27881 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YecA _Entity.Sf_category entity _Entity.Sf_framecode YecA _Entity.Entry_ID 27881 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YecA _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 ; MKTGPLNESELEWLDDILTK YNTDHAILDVAELDGLLTAV LSSPQEIEPEQWLVAVWGGA DYVPRWASEKEMTRFMNLAF QHMADTAERLNEFPEQFEPL FGLREVDGSELTIVEEWCFG YMRGVALSDWSTLPDSLKPA LEAIALHGTEENFERVEKMS PEAFEESVDAIRLAALDLHA YWMAHPQEKAVQQPIKAEEK PGRNDPCPCGSGKKFKQCCL H ; _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 221 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . 27881 1 2 . LYS . 27881 1 3 . THR . 27881 1 4 . GLY . 27881 1 5 . PRO . 27881 1 6 . LEU . 27881 1 7 . ASN . 27881 1 8 . GLU . 27881 1 9 . SER . 27881 1 10 . GLU . 27881 1 11 . LEU . 27881 1 12 . GLU . 27881 1 13 . TRP . 27881 1 14 . LEU . 27881 1 15 . ASP . 27881 1 16 . ASP . 27881 1 17 . ILE . 27881 1 18 . LEU . 27881 1 19 . THR . 27881 1 20 . LYS . 27881 1 21 . TYR . 27881 1 22 . ASN . 27881 1 23 . THR . 27881 1 24 . ASP . 27881 1 25 . HIS . 27881 1 26 . ALA . 27881 1 27 . ILE . 27881 1 28 . LEU . 27881 1 29 . ASP . 27881 1 30 . VAL . 27881 1 31 . ALA . 27881 1 32 . GLU . 27881 1 33 . LEU . 27881 1 34 . ASP . 27881 1 35 . GLY . 27881 1 36 . LEU . 27881 1 37 . LEU . 27881 1 38 . THR . 27881 1 39 . ALA . 27881 1 40 . VAL . 27881 1 41 . LEU . 27881 1 42 . SER . 27881 1 43 . SER . 27881 1 44 . PRO . 27881 1 45 . GLN . 27881 1 46 . GLU . 27881 1 47 . ILE . 27881 1 48 . GLU . 27881 1 49 . PRO . 27881 1 50 . GLU . 27881 1 51 . GLN . 27881 1 52 . TRP . 27881 1 53 . LEU . 27881 1 54 . VAL . 27881 1 55 . ALA . 27881 1 56 . VAL . 27881 1 57 . TRP . 27881 1 58 . GLY . 27881 1 59 . GLY . 27881 1 60 . ALA . 27881 1 61 . ASP . 27881 1 62 . TYR . 27881 1 63 . VAL . 27881 1 64 . PRO . 27881 1 65 . ARG . 27881 1 66 . TRP . 27881 1 67 . ALA . 27881 1 68 . SER . 27881 1 69 . GLU . 27881 1 70 . LYS . 27881 1 71 . GLU . 27881 1 72 . MET . 27881 1 73 . THR . 27881 1 74 . ARG . 27881 1 75 . PHE . 27881 1 76 . MET . 27881 1 77 . ASN . 27881 1 78 . LEU . 27881 1 79 . ALA . 27881 1 80 . PHE . 27881 1 81 . GLN . 27881 1 82 . HIS . 27881 1 83 . MET . 27881 1 84 . ALA . 27881 1 85 . ASP . 27881 1 86 . THR . 27881 1 87 . ALA . 27881 1 88 . GLU . 27881 1 89 . ARG . 27881 1 90 . LEU . 27881 1 91 . ASN . 27881 1 92 . GLU . 27881 1 93 . PHE . 27881 1 94 . PRO . 27881 1 95 . GLU . 27881 1 96 . GLN . 27881 1 97 . PHE . 27881 1 98 . GLU . 27881 1 99 . PRO . 27881 1 100 . LEU . 27881 1 101 . PHE . 27881 1 102 . GLY . 27881 1 103 . LEU . 27881 1 104 . ARG . 27881 1 105 . GLU . 27881 1 106 . VAL . 27881 1 107 . ASP . 27881 1 108 . GLY . 27881 1 109 . SER . 27881 1 110 . GLU . 27881 1 111 . LEU . 27881 1 112 . THR . 27881 1 113 . ILE . 27881 1 114 . VAL . 27881 1 115 . GLU . 27881 1 116 . GLU . 27881 1 117 . TRP . 27881 1 118 . CYS . 27881 1 119 . PHE . 27881 1 120 . GLY . 27881 1 121 . TYR . 27881 1 122 . MET . 27881 1 123 . ARG . 27881 1 124 . GLY . 27881 1 125 . VAL . 27881 1 126 . ALA . 27881 1 127 . LEU . 27881 1 128 . SER . 27881 1 129 . ASP . 27881 1 130 . TRP . 27881 1 131 . SER . 27881 1 132 . THR . 27881 1 133 . LEU . 27881 1 134 . PRO . 27881 1 135 . ASP . 27881 1 136 . SER . 27881 1 137 . LEU . 27881 1 138 . LYS . 27881 1 139 . PRO . 27881 1 140 . ALA . 27881 1 141 . LEU . 27881 1 142 . GLU . 27881 1 143 . ALA . 27881 1 144 . ILE . 27881 1 145 . ALA . 27881 1 146 . LEU . 27881 1 147 . HIS . 27881 1 148 . GLY . 27881 1 149 . THR . 27881 1 150 . GLU . 27881 1 151 . GLU . 27881 1 152 . ASN . 27881 1 153 . PHE . 27881 1 154 . GLU . 27881 1 155 . ARG . 27881 1 156 . VAL . 27881 1 157 . GLU . 27881 1 158 . LYS . 27881 1 159 . MET . 27881 1 160 . SER . 27881 1 161 . PRO . 27881 1 162 . GLU . 27881 1 163 . ALA . 27881 1 164 . PHE . 27881 1 165 . GLU . 27881 1 166 . GLU . 27881 1 167 . SER . 27881 1 168 . VAL . 27881 1 169 . ASP . 27881 1 170 . ALA . 27881 1 171 . ILE . 27881 1 172 . ARG . 27881 1 173 . LEU . 27881 1 174 . ALA . 27881 1 175 . ALA . 27881 1 176 . LEU . 27881 1 177 . ASP . 27881 1 178 . LEU . 27881 1 179 . HIS . 27881 1 180 . ALA . 27881 1 181 . TYR . 27881 1 182 . TRP . 27881 1 183 . MET . 27881 1 184 . ALA . 27881 1 185 . HIS . 27881 1 186 . PRO . 27881 1 187 . GLN . 27881 1 188 . GLU . 27881 1 189 . LYS . 27881 1 190 . ALA . 27881 1 191 . VAL . 27881 1 192 . GLN . 27881 1 193 . GLN . 27881 1 194 . PRO . 27881 1 195 . ILE . 27881 1 196 . LYS . 27881 1 197 . ALA . 27881 1 198 . GLU . 27881 1 199 . GLU . 27881 1 200 . LYS . 27881 1 201 . PRO . 27881 1 202 . GLY . 27881 1 203 . ARG . 27881 1 204 . ASN . 27881 1 205 . ASP . 27881 1 206 . PRO . 27881 1 207 . CYS . 27881 1 208 . PRO . 27881 1 209 . CYS . 27881 1 210 . GLY . 27881 1 211 . SER . 27881 1 212 . GLY . 27881 1 213 . LYS . 27881 1 214 . LYS . 27881 1 215 . PHE . 27881 1 216 . LYS . 27881 1 217 . GLN . 27881 1 218 . CYS . 27881 1 219 . CYS . 27881 1 220 . LEU . 27881 1 221 . HIS . 27881 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 27881 1 . LYS 2 2 27881 1 . THR 3 3 27881 1 . GLY 4 4 27881 1 . PRO 5 5 27881 1 . LEU 6 6 27881 1 . ASN 7 7 27881 1 . GLU 8 8 27881 1 . SER 9 9 27881 1 . GLU 10 10 27881 1 . LEU 11 11 27881 1 . GLU 12 12 27881 1 . TRP 13 13 27881 1 . LEU 14 14 27881 1 . ASP 15 15 27881 1 . ASP 16 16 27881 1 . ILE 17 17 27881 1 . LEU 18 18 27881 1 . THR 19 19 27881 1 . LYS 20 20 27881 1 . TYR 21 21 27881 1 . ASN 22 22 27881 1 . THR 23 23 27881 1 . ASP 24 24 27881 1 . HIS 25 25 27881 1 . ALA 26 26 27881 1 . ILE 27 27 27881 1 . LEU 28 28 27881 1 . ASP 29 29 27881 1 . VAL 30 30 27881 1 . ALA 31 31 27881 1 . GLU 32 32 27881 1 . LEU 33 33 27881 1 . ASP 34 34 27881 1 . GLY 35 35 27881 1 . LEU 36 36 27881 1 . LEU 37 37 27881 1 . THR 38 38 27881 1 . ALA 39 39 27881 1 . VAL 40 40 27881 1 . LEU 41 41 27881 1 . SER 42 42 27881 1 . SER 43 43 27881 1 . PRO 44 44 27881 1 . GLN 45 45 27881 1 . GLU 46 46 27881 1 . ILE 47 47 27881 1 . GLU 48 48 27881 1 . PRO 49 49 27881 1 . GLU 50 50 27881 1 . GLN 51 51 27881 1 . TRP 52 52 27881 1 . LEU 53 53 27881 1 . VAL 54 54 27881 1 . ALA 55 55 27881 1 . VAL 56 56 27881 1 . TRP 57 57 27881 1 . GLY 58 58 27881 1 . GLY 59 59 27881 1 . ALA 60 60 27881 1 . ASP 61 61 27881 1 . TYR 62 62 27881 1 . VAL 63 63 27881 1 . PRO 64 64 27881 1 . ARG 65 65 27881 1 . TRP 66 66 27881 1 . ALA 67 67 27881 1 . SER 68 68 27881 1 . GLU 69 69 27881 1 . LYS 70 70 27881 1 . GLU 71 71 27881 1 . MET 72 72 27881 1 . THR 73 73 27881 1 . ARG 74 74 27881 1 . PHE 75 75 27881 1 . MET 76 76 27881 1 . ASN 77 77 27881 1 . LEU 78 78 27881 1 . ALA 79 79 27881 1 . PHE 80 80 27881 1 . GLN 81 81 27881 1 . HIS 82 82 27881 1 . MET 83 83 27881 1 . ALA 84 84 27881 1 . ASP 85 85 27881 1 . THR 86 86 27881 1 . ALA 87 87 27881 1 . GLU 88 88 27881 1 . ARG 89 89 27881 1 . LEU 90 90 27881 1 . ASN 91 91 27881 1 . GLU 92 92 27881 1 . PHE 93 93 27881 1 . PRO 94 94 27881 1 . GLU 95 95 27881 1 . GLN 96 96 27881 1 . PHE 97 97 27881 1 . GLU 98 98 27881 1 . PRO 99 99 27881 1 . LEU 100 100 27881 1 . PHE 101 101 27881 1 . GLY 102 102 27881 1 . LEU 103 103 27881 1 . ARG 104 104 27881 1 . GLU 105 105 27881 1 . VAL 106 106 27881 1 . ASP 107 107 27881 1 . GLY 108 108 27881 1 . SER 109 109 27881 1 . GLU 110 110 27881 1 . LEU 111 111 27881 1 . THR 112 112 27881 1 . ILE 113 113 27881 1 . VAL 114 114 27881 1 . GLU 115 115 27881 1 . GLU 116 116 27881 1 . TRP 117 117 27881 1 . CYS 118 118 27881 1 . PHE 119 119 27881 1 . GLY 120 120 27881 1 . TYR 121 121 27881 1 . MET 122 122 27881 1 . ARG 123 123 27881 1 . GLY 124 124 27881 1 . VAL 125 125 27881 1 . ALA 126 126 27881 1 . LEU 127 127 27881 1 . SER 128 128 27881 1 . ASP 129 129 27881 1 . TRP 130 130 27881 1 . SER 131 131 27881 1 . THR 132 132 27881 1 . LEU 133 133 27881 1 . PRO 134 134 27881 1 . ASP 135 135 27881 1 . SER 136 136 27881 1 . LEU 137 137 27881 1 . LYS 138 138 27881 1 . PRO 139 139 27881 1 . ALA 140 140 27881 1 . LEU 141 141 27881 1 . GLU 142 142 27881 1 . ALA 143 143 27881 1 . ILE 144 144 27881 1 . ALA 145 145 27881 1 . LEU 146 146 27881 1 . HIS 147 147 27881 1 . GLY 148 148 27881 1 . THR 149 149 27881 1 . GLU 150 150 27881 1 . GLU 151 151 27881 1 . ASN 152 152 27881 1 . PHE 153 153 27881 1 . GLU 154 154 27881 1 . ARG 155 155 27881 1 . VAL 156 156 27881 1 . GLU 157 157 27881 1 . LYS 158 158 27881 1 . MET 159 159 27881 1 . SER 160 160 27881 1 . PRO 161 161 27881 1 . GLU 162 162 27881 1 . ALA 163 163 27881 1 . PHE 164 164 27881 1 . GLU 165 165 27881 1 . GLU 166 166 27881 1 . SER 167 167 27881 1 . VAL 168 168 27881 1 . ASP 169 169 27881 1 . ALA 170 170 27881 1 . ILE 171 171 27881 1 . ARG 172 172 27881 1 . LEU 173 173 27881 1 . ALA 174 174 27881 1 . ALA 175 175 27881 1 . LEU 176 176 27881 1 . ASP 177 177 27881 1 . LEU 178 178 27881 1 . HIS 179 179 27881 1 . ALA 180 180 27881 1 . TYR 181 181 27881 1 . TRP 182 182 27881 1 . MET 183 183 27881 1 . ALA 184 184 27881 1 . HIS 185 185 27881 1 . PRO 186 186 27881 1 . GLN 187 187 27881 1 . GLU 188 188 27881 1 . LYS 189 189 27881 1 . ALA 190 190 27881 1 . VAL 191 191 27881 1 . GLN 192 192 27881 1 . GLN 193 193 27881 1 . PRO 194 194 27881 1 . ILE 195 195 27881 1 . LYS 196 196 27881 1 . ALA 197 197 27881 1 . GLU 198 198 27881 1 . GLU 199 199 27881 1 . LYS 200 200 27881 1 . PRO 201 201 27881 1 . GLY 202 202 27881 1 . ARG 203 203 27881 1 . ASN 204 204 27881 1 . ASP 205 205 27881 1 . PRO 206 206 27881 1 . CYS 207 207 27881 1 . PRO 208 208 27881 1 . CYS 209 209 27881 1 . GLY 210 210 27881 1 . SER 211 211 27881 1 . GLY 212 212 27881 1 . LYS 213 213 27881 1 . LYS 214 214 27881 1 . PHE 215 215 27881 1 . LYS 216 216 27881 1 . GLN 217 217 27881 1 . CYS 218 218 27881 1 . CYS 219 219 27881 1 . LEU 220 220 27881 1 . HIS 221 221 27881 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27881 _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 $YecA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . YecA . 27881 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27881 _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 $YecA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 . . . . . pCA528 . . . 27881 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27881 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YecA '[U-100% 13C; U-100% 15N]' . . 1 $YecA . . 0.5 . . mM . . . . 27881 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27881 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 27881 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 27881 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 10 . mM 27881 1 pH 6 . pH 27881 1 pressure 1 . atm 27881 1 temperature 298 . K 27881 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27881 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27881 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27881 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27881 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27881 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27881 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27881 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27881 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 27881 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27881 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27881 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27881 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27881 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27881 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27881 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27881 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27881 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27881 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 C 13 DSS 'methyl protons' . . . . ppm 0 external direct . . . . . . 27881 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27881 1 N 15 DSS 'methyl protons' . . . . ppm 0 external direct . . . . . . 27881 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27881 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27881 1 2 '3D HNCA' . . . 27881 1 3 '3D HN(CO)CA' . . . 27881 1 4 '3D CBCA(CO)NH' . . . 27881 1 5 '3D HNCACB' . . . 27881 1 6 '3D HNCO' . . . 27881 1 7 '3D HCACO' . . . 27881 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 . 1 201 201 PRO C C 13 177.452 0.01 . . . . . . . 201 PRO C . 27881 1 2 . 1 . 1 201 201 PRO CA C 13 63.240 0.06 . . . . . . . 201 PRO CA . 27881 1 3 . 1 . 1 201 201 PRO CB C 13 32.077 0.04 . . . . . . . 201 PRO CB . 27881 1 4 . 1 . 1 202 202 GLY H H 1 8.551 0.08 . . . . . . . 202 GLY H . 27881 1 5 . 1 . 1 202 202 GLY C C 13 174.082 0.02 . . . . . . . 202 GLY C . 27881 1 6 . 1 . 1 202 202 GLY CA C 13 45.111 0.05 . . . . . . . 202 GLY CA . 27881 1 7 . 1 . 1 202 202 GLY N N 15 109.497 0.16 . . . . . . . 202 GLY N . 27881 1 8 . 1 . 1 203 203 ARG H H 1 8.208 0.09 . . . . . . . 203 ARG H . 27881 1 9 . 1 . 1 203 203 ARG C C 13 175.944 0.02 . . . . . . . 203 ARG C . 27881 1 10 . 1 . 1 203 203 ARG CA C 13 56.223 0.07 . . . . . . . 203 ARG CA . 27881 1 11 . 1 . 1 203 203 ARG CB C 13 30.765 0.07 . . . . . . . 203 ARG CB . 27881 1 12 . 1 . 1 203 203 ARG N N 15 120.247 0.24 . . . . . . . 203 ARG N . 27881 1 13 . 1 . 1 204 204 ASN H H 1 8.572 0.01 . . . . . . . 204 ASN H . 27881 1 14 . 1 . 1 204 204 ASN C C 13 174.320 0.04 . . . . . . . 204 ASN C . 27881 1 15 . 1 . 1 204 204 ASN CA C 13 53.032 0.05 . . . . . . . 204 ASN CA . 27881 1 16 . 1 . 1 204 204 ASN CB C 13 39.007 0.02 . . . . . . . 204 ASN CB . 27881 1 17 . 1 . 1 204 204 ASN N N 15 119.372 1.64 . . . . . . . 204 ASN N . 27881 1 18 . 1 . 1 205 205 ASP H H 1 8.016 0.24 . . . . . . . 205 ASP H . 27881 1 19 . 1 . 1 205 205 ASP C C 13 174.710 0.00 . . . . . . . 205 ASP C . 27881 1 20 . 1 . 1 205 205 ASP CA C 13 52.818 0.33 . . . . . . . 205 ASP CA . 27881 1 21 . 1 . 1 205 205 ASP CB C 13 40.751 0.00 . . . . . . . 205 ASP CB . 27881 1 22 . 1 . 1 205 205 ASP N N 15 122.062 0.16 . . . . . . . 205 ASP N . 27881 1 23 . 1 . 1 206 206 PRO C C 13 176.405 0.00 . . . . . . . 206 PRO C . 27881 1 24 . 1 . 1 206 206 PRO CA C 13 63.051 0.05 . . . . . . . 206 PRO CA . 27881 1 25 . 1 . 1 206 206 PRO CB C 13 31.673 0.01 . . . . . . . 206 PRO CB . 27881 1 26 . 1 . 1 207 207 CYS H H 1 9.224 0.00 . . . . . . . 207 CYS H . 27881 1 27 . 1 . 1 207 207 CYS CA C 13 59.780 0.02 . . . . . . . 207 CYS CA . 27881 1 28 . 1 . 1 207 207 CYS CB C 13 29.795 0.00 . . . . . . . 207 CYS CB . 27881 1 29 . 1 . 1 207 207 CYS N N 15 127.810 0.07 . . . . . . . 207 CYS N . 27881 1 30 . 1 . 1 208 208 PRO C C 13 176.894 0.00 . . . . . . . 208 PRO C . 27881 1 31 . 1 . 1 208 208 PRO CA C 13 64.523 0.07 . . . . . . . 208 PRO CA . 27881 1 32 . 1 . 1 208 208 PRO CB C 13 32.335 0.00 . . . . . . . 208 PRO CB . 27881 1 33 . 1 . 1 209 209 CYS H H 1 7.956 0.01 . . . . . . . 209 CYS H . 27881 1 34 . 1 . 1 209 209 CYS C C 13 177.453 0.00 . . . . . . . 209 CYS C . 27881 1 35 . 1 . 1 209 209 CYS CA C 13 60.208 0.01 . . . . . . . 209 CYS CA . 27881 1 36 . 1 . 1 209 209 CYS CB C 13 29.871 0.06 . . . . . . . 209 CYS CB . 27881 1 37 . 1 . 1 209 209 CYS N N 15 116.800 0.09 . . . . . . . 209 CYS N . 27881 1 38 . 1 . 1 210 210 GLY H H 1 7.936 0.01 . . . . . . . 210 GLY H . 27881 1 39 . 1 . 1 210 210 GLY C C 13 175.743 0.00 . . . . . . . 210 GLY C . 27881 1 40 . 1 . 1 210 210 GLY CA C 13 45.953 0.04 . . . . . . . 210 GLY CA . 27881 1 41 . 1 . 1 210 210 GLY N N 15 109.078 0.09 . . . . . . . 210 GLY N . 27881 1 42 . 1 . 1 211 211 SER H H 1 8.703 0.01 . . . . . . . 211 SER H . 27881 1 43 . 1 . 1 211 211 SER C C 13 175.851 0.00 . . . . . . . 211 SER C . 27881 1 44 . 1 . 1 211 211 SER CA C 13 59.752 0.03 . . . . . . . 211 SER CA . 27881 1 45 . 1 . 1 211 211 SER CB C 13 63.081 0.00 . . . . . . . 211 SER CB . 27881 1 46 . 1 . 1 211 211 SER N N 15 119.377 0.07 . . . . . . . 211 SER N . 27881 1 47 . 1 . 1 212 212 GLY H H 1 9.362 0.00 . . . . . . . 212 GLY H . 27881 1 48 . 1 . 1 212 212 GLY C C 13 174.591 0.00 . . . . . . . 212 GLY C . 27881 1 49 . 1 . 1 212 212 GLY CA C 13 45.022 0.06 . . . . . . . 212 GLY CA . 27881 1 50 . 1 . 1 212 212 GLY N N 15 111.806 0.09 . . . . . . . 212 GLY N . 27881 1 51 . 1 . 1 213 213 LYS H H 1 7.904 0.01 . . . . . . . 213 LYS H . 27881 1 52 . 1 . 1 213 213 LYS CA C 13 55.131 0.12 . . . . . . . 213 LYS CA . 27881 1 53 . 1 . 1 213 213 LYS CB C 13 34.690 0.00 . . . . . . . 213 LYS CB . 27881 1 54 . 1 . 1 213 213 LYS N N 15 120.581 0.06 . . . . . . . 213 LYS N . 27881 1 55 . 1 . 1 214 214 LYS H H 1 8.413 0.01 . . . . . . . 214 LYS H . 27881 1 56 . 1 . 1 214 214 LYS C C 13 178.576 0.00 . . . . . . . 214 LYS C . 27881 1 57 . 1 . 1 214 214 LYS CA C 13 56.657 0.02 . . . . . . . 214 LYS CA . 27881 1 58 . 1 . 1 214 214 LYS CB C 13 33.613 0.02 . . . . . . . 214 LYS CB . 27881 1 59 . 1 . 1 214 214 LYS N N 15 118.716 0.09 . . . . . . . 214 LYS N . 27881 1 60 . 1 . 1 215 215 PHE H H 1 9.267 0.01 . . . . . . . 215 PHE H . 27881 1 61 . 1 . 1 215 215 PHE C C 13 178.970 0.00 . . . . . . . 215 PHE C . 27881 1 62 . 1 . 1 215 215 PHE CA C 13 59.946 0.09 . . . . . . . 215 PHE CA . 27881 1 63 . 1 . 1 215 215 PHE CB C 13 39.112 0.06 . . . . . . . 215 PHE CB . 27881 1 64 . 1 . 1 215 215 PHE N N 15 124.733 0.08 . . . . . . . 215 PHE N . 27881 1 65 . 1 . 1 216 216 LYS H H 1 8.605 0.01 . . . . . . . 216 LYS H . 27881 1 66 . 1 . 1 216 216 LYS C C 13 175.497 0.00 . . . . . . . 216 LYS C . 27881 1 67 . 1 . 1 216 216 LYS CA C 13 57.879 0.05 . . . . . . . 216 LYS CA . 27881 1 68 . 1 . 1 216 216 LYS CB C 13 31.156 0.03 . . . . . . . 216 LYS CB . 27881 1 69 . 1 . 1 216 216 LYS N N 15 112.209 0.07 . . . . . . . 216 LYS N . 27881 1 70 . 1 . 1 217 217 GLN H H 1 7.696 0.00 . . . . . . . 217 GLN H . 27881 1 71 . 1 . 1 217 217 GLN C C 13 174.589 0.00 . . . . . . . 217 GLN C . 27881 1 72 . 1 . 1 217 217 GLN CA C 13 54.704 0.08 . . . . . . . 217 GLN CA . 27881 1 73 . 1 . 1 217 217 GLN CB C 13 30.134 0.02 . . . . . . . 217 GLN CB . 27881 1 74 . 1 . 1 217 217 GLN N N 15 117.978 0.06 . . . . . . . 217 GLN N . 27881 1 75 . 1 . 1 218 218 CYS H H 1 7.812 0.01 . . . . . . . 218 CYS H . 27881 1 76 . 1 . 1 218 218 CYS CA C 13 61.693 0.03 . . . . . . . 218 CYS CA . 27881 1 77 . 1 . 1 218 218 CYS CB C 13 30.510 0.03 . . . . . . . 218 CYS CB . 27881 1 78 . 1 . 1 218 218 CYS N N 15 125.418 0.07 . . . . . . . 218 CYS N . 27881 1 79 . 1 . 1 219 219 CYS H H 1 8.255 0.00 . . . . . . . 219 CYS H . 27881 1 80 . 1 . 1 219 219 CYS CA C 13 63.383 0.12 . . . . . . . 219 CYS CA . 27881 1 81 . 1 . 1 219 219 CYS CB C 13 30.339 0.07 . . . . . . . 219 CYS CB . 27881 1 82 . 1 . 1 219 219 CYS N N 15 121.616 0.00 . . . . . . . 219 CYS N . 27881 1 83 . 1 . 1 220 220 LEU H H 1 6.964 0.09 . . . . . . . 220 LEU H . 27881 1 84 . 1 . 1 220 220 LEU CA C 13 56.764 0.09 . . . . . . . 220 LEU CA . 27881 1 85 . 1 . 1 220 220 LEU CB C 13 40.785 0.01 . . . . . . . 220 LEU CB . 27881 1 86 . 1 . 1 220 220 LEU N N 15 122.275 0.43 . . . . . . . 220 LEU N . 27881 1 87 . 1 . 1 221 221 HIS H H 1 7.793 0.02 . . . . . . . 221 HIS H . 27881 1 88 . 1 . 1 221 221 HIS CA C 13 56.640 0.01 . . . . . . . 221 HIS CA . 27881 1 89 . 1 . 1 221 221 HIS CB C 13 29.926 0.00 . . . . . . . 221 HIS CB . 27881 1 90 . 1 . 1 221 221 HIS N N 15 127.390 0.20 . . . . . . . 221 HIS N . 27881 1 stop_ save_