data_27603 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27603 _Entry.Title ; Partial backbone assignments of Cse4 protein in 5M urea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-11 _Entry.Accession_date 2018-09-11 _Entry.Last_release_date 2018-09-11 _Entry.Original_release_date 2018-09-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Cse4 protein in 5M urea buffer (Partially denatured protein)' _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 Ashutosh Kumar . . . . 27603 2 Nikita Malik . . . . 27603 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27603 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 4 27603 '15N chemical shifts' 65 27603 '1H chemical shifts' 65 27603 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 . . 2019-01-09 . original BMRB . 27603 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27603 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30381395 _Citation.Full_citation . _Citation.Title ; Conformational flexibility of histone variant CENP-A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 52 _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 20273 _Citation.Page_last 20284 _Citation.Year 2018 _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 Nikita Malik N. . . . 27603 1 2 'Sarath Chandra' Dantu S. C. . . 27603 1 3 Shivangi Shukla S. . . . 27603 1 4 Mamta Kombrabail M. . . . 27603 1 5 'Santanu Kumar' Ghosh S. K. . . 27603 1 6 Guruswamy Krishnamoorthy G. . . . 27603 1 7 Ashutosh Kumar A. . . . 27603 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27603 _Assembly.ID 1 _Assembly.Name 'Cse4 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 Cse4 1 $Cse4 A . yes 'partially disordered' no no . . . 27603 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Centromeric protein' 27603 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cse4 _Entity.Sf_category entity _Entity.Sf_framecode Cse4 _Entity.Entry_ID 27603 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cse4 _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 ; MSSKQQWVSSAIQSDSSGRS LSNVNRLAGDQQSINDRALS LLQRTRATKNLFPRREERRR YESSKSDLDIETDYEDQAGN LEIETENEEEAEMETEVPAP VRTHSYALDRYVRQKRREKQ RKQSLKRVEKKYTPSELALY EIRKYQRSTDLLISKIPFAR LVKEVTDEFTTKDQDLRWQS MAIMALQEASEAYLVGLLEH TNLLALHAKRITIMKKDMQL ARRIRGQFI ; _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 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Centromeric Protein' 27603 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27603 1 2 . SER . 27603 1 3 . SER . 27603 1 4 . LYS . 27603 1 5 . GLN . 27603 1 6 . GLN . 27603 1 7 . TRP . 27603 1 8 . VAL . 27603 1 9 . SER . 27603 1 10 . SER . 27603 1 11 . ALA . 27603 1 12 . ILE . 27603 1 13 . GLN . 27603 1 14 . SER . 27603 1 15 . ASP . 27603 1 16 . SER . 27603 1 17 . SER . 27603 1 18 . GLY . 27603 1 19 . ARG . 27603 1 20 . SER . 27603 1 21 . LEU . 27603 1 22 . SER . 27603 1 23 . ASN . 27603 1 24 . VAL . 27603 1 25 . ASN . 27603 1 26 . ARG . 27603 1 27 . LEU . 27603 1 28 . ALA . 27603 1 29 . GLY . 27603 1 30 . ASP . 27603 1 31 . GLN . 27603 1 32 . GLN . 27603 1 33 . SER . 27603 1 34 . ILE . 27603 1 35 . ASN . 27603 1 36 . ASP . 27603 1 37 . ARG . 27603 1 38 . ALA . 27603 1 39 . LEU . 27603 1 40 . SER . 27603 1 41 . LEU . 27603 1 42 . LEU . 27603 1 43 . GLN . 27603 1 44 . ARG . 27603 1 45 . THR . 27603 1 46 . ARG . 27603 1 47 . ALA . 27603 1 48 . THR . 27603 1 49 . LYS . 27603 1 50 . ASN . 27603 1 51 . LEU . 27603 1 52 . PHE . 27603 1 53 . PRO . 27603 1 54 . ARG . 27603 1 55 . ARG . 27603 1 56 . GLU . 27603 1 57 . GLU . 27603 1 58 . ARG . 27603 1 59 . ARG . 27603 1 60 . ARG . 27603 1 61 . TYR . 27603 1 62 . GLU . 27603 1 63 . SER . 27603 1 64 . SER . 27603 1 65 . LYS . 27603 1 66 . SER . 27603 1 67 . ASP . 27603 1 68 . LEU . 27603 1 69 . ASP . 27603 1 70 . ILE . 27603 1 71 . GLU . 27603 1 72 . THR . 27603 1 73 . ASP . 27603 1 74 . TYR . 27603 1 75 . GLU . 27603 1 76 . ASP . 27603 1 77 . GLN . 27603 1 78 . ALA . 27603 1 79 . GLY . 27603 1 80 . ASN . 27603 1 81 . LEU . 27603 1 82 . GLU . 27603 1 83 . ILE . 27603 1 84 . GLU . 27603 1 85 . THR . 27603 1 86 . GLU . 27603 1 87 . ASN . 27603 1 88 . GLU . 27603 1 89 . GLU . 27603 1 90 . GLU . 27603 1 91 . ALA . 27603 1 92 . GLU . 27603 1 93 . MET . 27603 1 94 . GLU . 27603 1 95 . THR . 27603 1 96 . GLU . 27603 1 97 . VAL . 27603 1 98 . PRO . 27603 1 99 . ALA . 27603 1 100 . PRO . 27603 1 101 . VAL . 27603 1 102 . ARG . 27603 1 103 . THR . 27603 1 104 . HIS . 27603 1 105 . SER . 27603 1 106 . TYR . 27603 1 107 . ALA . 27603 1 108 . LEU . 27603 1 109 . ASP . 27603 1 110 . ARG . 27603 1 111 . TYR . 27603 1 112 . VAL . 27603 1 113 . ARG . 27603 1 114 . GLN . 27603 1 115 . LYS . 27603 1 116 . ARG . 27603 1 117 . ARG . 27603 1 118 . GLU . 27603 1 119 . LYS . 27603 1 120 . GLN . 27603 1 121 . ARG . 27603 1 122 . LYS . 27603 1 123 . GLN . 27603 1 124 . SER . 27603 1 125 . LEU . 27603 1 126 . LYS . 27603 1 127 . ARG . 27603 1 128 . VAL . 27603 1 129 . GLU . 27603 1 130 . LYS . 27603 1 131 . LYS . 27603 1 132 . TYR . 27603 1 133 . THR . 27603 1 134 . PRO . 27603 1 135 . SER . 27603 1 136 . GLU . 27603 1 137 . LEU . 27603 1 138 . ALA . 27603 1 139 . LEU . 27603 1 140 . TYR . 27603 1 141 . GLU . 27603 1 142 . ILE . 27603 1 143 . ARG . 27603 1 144 . LYS . 27603 1 145 . TYR . 27603 1 146 . GLN . 27603 1 147 . ARG . 27603 1 148 . SER . 27603 1 149 . THR . 27603 1 150 . ASP . 27603 1 151 . LEU . 27603 1 152 . LEU . 27603 1 153 . ILE . 27603 1 154 . SER . 27603 1 155 . LYS . 27603 1 156 . ILE . 27603 1 157 . PRO . 27603 1 158 . PHE . 27603 1 159 . ALA . 27603 1 160 . ARG . 27603 1 161 . LEU . 27603 1 162 . VAL . 27603 1 163 . LYS . 27603 1 164 . GLU . 27603 1 165 . VAL . 27603 1 166 . THR . 27603 1 167 . ASP . 27603 1 168 . GLU . 27603 1 169 . PHE . 27603 1 170 . THR . 27603 1 171 . THR . 27603 1 172 . LYS . 27603 1 173 . ASP . 27603 1 174 . GLN . 27603 1 175 . ASP . 27603 1 176 . LEU . 27603 1 177 . ARG . 27603 1 178 . TRP . 27603 1 179 . GLN . 27603 1 180 . SER . 27603 1 181 . MET . 27603 1 182 . ALA . 27603 1 183 . ILE . 27603 1 184 . MET . 27603 1 185 . ALA . 27603 1 186 . LEU . 27603 1 187 . GLN . 27603 1 188 . GLU . 27603 1 189 . ALA . 27603 1 190 . SER . 27603 1 191 . GLU . 27603 1 192 . ALA . 27603 1 193 . TYR . 27603 1 194 . LEU . 27603 1 195 . VAL . 27603 1 196 . GLY . 27603 1 197 . LEU . 27603 1 198 . LEU . 27603 1 199 . GLU . 27603 1 200 . HIS . 27603 1 201 . THR . 27603 1 202 . ASN . 27603 1 203 . LEU . 27603 1 204 . LEU . 27603 1 205 . ALA . 27603 1 206 . LEU . 27603 1 207 . HIS . 27603 1 208 . ALA . 27603 1 209 . LYS . 27603 1 210 . ARG . 27603 1 211 . ILE . 27603 1 212 . THR . 27603 1 213 . ILE . 27603 1 214 . MET . 27603 1 215 . LYS . 27603 1 216 . LYS . 27603 1 217 . ASP . 27603 1 218 . MET . 27603 1 219 . GLN . 27603 1 220 . LEU . 27603 1 221 . ALA . 27603 1 222 . ARG . 27603 1 223 . ARG . 27603 1 224 . ILE . 27603 1 225 . ARG . 27603 1 226 . GLY . 27603 1 227 . GLN . 27603 1 228 . PHE . 27603 1 229 . ILE . 27603 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 27603 1 . SER 2 2 27603 1 . SER 3 3 27603 1 . LYS 4 4 27603 1 . GLN 5 5 27603 1 . GLN 6 6 27603 1 . TRP 7 7 27603 1 . VAL 8 8 27603 1 . SER 9 9 27603 1 . SER 10 10 27603 1 . ALA 11 11 27603 1 . ILE 12 12 27603 1 . GLN 13 13 27603 1 . SER 14 14 27603 1 . ASP 15 15 27603 1 . SER 16 16 27603 1 . SER 17 17 27603 1 . GLY 18 18 27603 1 . ARG 19 19 27603 1 . SER 20 20 27603 1 . LEU 21 21 27603 1 . SER 22 22 27603 1 . ASN 23 23 27603 1 . VAL 24 24 27603 1 . ASN 25 25 27603 1 . ARG 26 26 27603 1 . LEU 27 27 27603 1 . ALA 28 28 27603 1 . GLY 29 29 27603 1 . ASP 30 30 27603 1 . GLN 31 31 27603 1 . GLN 32 32 27603 1 . SER 33 33 27603 1 . ILE 34 34 27603 1 . ASN 35 35 27603 1 . ASP 36 36 27603 1 . ARG 37 37 27603 1 . ALA 38 38 27603 1 . LEU 39 39 27603 1 . SER 40 40 27603 1 . LEU 41 41 27603 1 . LEU 42 42 27603 1 . GLN 43 43 27603 1 . ARG 44 44 27603 1 . THR 45 45 27603 1 . ARG 46 46 27603 1 . ALA 47 47 27603 1 . THR 48 48 27603 1 . LYS 49 49 27603 1 . ASN 50 50 27603 1 . LEU 51 51 27603 1 . PHE 52 52 27603 1 . PRO 53 53 27603 1 . ARG 54 54 27603 1 . ARG 55 55 27603 1 . GLU 56 56 27603 1 . GLU 57 57 27603 1 . ARG 58 58 27603 1 . ARG 59 59 27603 1 . ARG 60 60 27603 1 . TYR 61 61 27603 1 . GLU 62 62 27603 1 . SER 63 63 27603 1 . SER 64 64 27603 1 . LYS 65 65 27603 1 . SER 66 66 27603 1 . ASP 67 67 27603 1 . LEU 68 68 27603 1 . ASP 69 69 27603 1 . ILE 70 70 27603 1 . GLU 71 71 27603 1 . THR 72 72 27603 1 . ASP 73 73 27603 1 . TYR 74 74 27603 1 . GLU 75 75 27603 1 . ASP 76 76 27603 1 . GLN 77 77 27603 1 . ALA 78 78 27603 1 . GLY 79 79 27603 1 . ASN 80 80 27603 1 . LEU 81 81 27603 1 . GLU 82 82 27603 1 . ILE 83 83 27603 1 . GLU 84 84 27603 1 . THR 85 85 27603 1 . GLU 86 86 27603 1 . ASN 87 87 27603 1 . GLU 88 88 27603 1 . GLU 89 89 27603 1 . GLU 90 90 27603 1 . ALA 91 91 27603 1 . GLU 92 92 27603 1 . MET 93 93 27603 1 . GLU 94 94 27603 1 . THR 95 95 27603 1 . GLU 96 96 27603 1 . VAL 97 97 27603 1 . PRO 98 98 27603 1 . ALA 99 99 27603 1 . PRO 100 100 27603 1 . VAL 101 101 27603 1 . ARG 102 102 27603 1 . THR 103 103 27603 1 . HIS 104 104 27603 1 . SER 105 105 27603 1 . TYR 106 106 27603 1 . ALA 107 107 27603 1 . LEU 108 108 27603 1 . ASP 109 109 27603 1 . ARG 110 110 27603 1 . TYR 111 111 27603 1 . VAL 112 112 27603 1 . ARG 113 113 27603 1 . GLN 114 114 27603 1 . LYS 115 115 27603 1 . ARG 116 116 27603 1 . ARG 117 117 27603 1 . GLU 118 118 27603 1 . LYS 119 119 27603 1 . GLN 120 120 27603 1 . ARG 121 121 27603 1 . LYS 122 122 27603 1 . GLN 123 123 27603 1 . SER 124 124 27603 1 . LEU 125 125 27603 1 . LYS 126 126 27603 1 . ARG 127 127 27603 1 . VAL 128 128 27603 1 . GLU 129 129 27603 1 . LYS 130 130 27603 1 . LYS 131 131 27603 1 . TYR 132 132 27603 1 . THR 133 133 27603 1 . PRO 134 134 27603 1 . SER 135 135 27603 1 . GLU 136 136 27603 1 . LEU 137 137 27603 1 . ALA 138 138 27603 1 . LEU 139 139 27603 1 . TYR 140 140 27603 1 . GLU 141 141 27603 1 . ILE 142 142 27603 1 . ARG 143 143 27603 1 . LYS 144 144 27603 1 . TYR 145 145 27603 1 . GLN 146 146 27603 1 . ARG 147 147 27603 1 . SER 148 148 27603 1 . THR 149 149 27603 1 . ASP 150 150 27603 1 . LEU 151 151 27603 1 . LEU 152 152 27603 1 . ILE 153 153 27603 1 . SER 154 154 27603 1 . LYS 155 155 27603 1 . ILE 156 156 27603 1 . PRO 157 157 27603 1 . PHE 158 158 27603 1 . ALA 159 159 27603 1 . ARG 160 160 27603 1 . LEU 161 161 27603 1 . VAL 162 162 27603 1 . LYS 163 163 27603 1 . GLU 164 164 27603 1 . VAL 165 165 27603 1 . THR 166 166 27603 1 . ASP 167 167 27603 1 . GLU 168 168 27603 1 . PHE 169 169 27603 1 . THR 170 170 27603 1 . THR 171 171 27603 1 . LYS 172 172 27603 1 . ASP 173 173 27603 1 . GLN 174 174 27603 1 . ASP 175 175 27603 1 . LEU 176 176 27603 1 . ARG 177 177 27603 1 . TRP 178 178 27603 1 . GLN 179 179 27603 1 . SER 180 180 27603 1 . MET 181 181 27603 1 . ALA 182 182 27603 1 . ILE 183 183 27603 1 . MET 184 184 27603 1 . ALA 185 185 27603 1 . LEU 186 186 27603 1 . GLN 187 187 27603 1 . GLU 188 188 27603 1 . ALA 189 189 27603 1 . SER 190 190 27603 1 . GLU 191 191 27603 1 . ALA 192 192 27603 1 . TYR 193 193 27603 1 . LEU 194 194 27603 1 . VAL 195 195 27603 1 . GLY 196 196 27603 1 . LEU 197 197 27603 1 . LEU 198 198 27603 1 . GLU 199 199 27603 1 . HIS 200 200 27603 1 . THR 201 201 27603 1 . ASN 202 202 27603 1 . LEU 203 203 27603 1 . LEU 204 204 27603 1 . ALA 205 205 27603 1 . LEU 206 206 27603 1 . HIS 207 207 27603 1 . ALA 208 208 27603 1 . LYS 209 209 27603 1 . ARG 210 210 27603 1 . ILE 211 211 27603 1 . THR 212 212 27603 1 . ILE 213 213 27603 1 . MET 214 214 27603 1 . LYS 215 215 27603 1 . LYS 216 216 27603 1 . ASP 217 217 27603 1 . MET 218 218 27603 1 . GLN 219 219 27603 1 . LEU 220 220 27603 1 . ALA 221 221 27603 1 . ARG 222 222 27603 1 . ARG 223 223 27603 1 . ILE 224 224 27603 1 . ARG 225 225 27603 1 . GLY 226 226 27603 1 . GLN 227 227 27603 1 . PHE 228 228 27603 1 . ILE 229 229 27603 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 27603 _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 $Cse4 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 27603 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 27603 _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 $Cse4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pKS387 . . . 27603 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27603 _Sample.ID 1 _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 Cse4 '[U-99% 13C; U-99% 15N]' . . 1 $Cse4 . . 700 . . uM . . . . 27603 1 2 urea 'natural abundance' . . . . . . 5 . . M . . . . 27603 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 27603 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 27603 1 pH 6.5 . pH 27603 1 pressure 1 . atm 27603 1 temperature 298 . K 27603 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27603 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27603 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27603 1 processing 27603 1 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 27603 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 27603 _NMR_spectrometer_list.ID 1 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 . 750 . . . 27603 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 27603 _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 . . . . . . . . . . . . . . . . 27603 1 2 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27603 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27603 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27603 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27603 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27603 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 27603 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27603 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27603 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27603 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 27603 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 27603 1 2 '3D HCACO' . . . 27603 1 3 '3D HNCA' . . . 27603 1 4 '3D HNCO' . . . 27603 1 5 '3D HN(CO)CA' . . . 27603 1 6 '3D 1H-15N TOCSY' . . . 27603 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 8 8 VAL H H 1 7.958 0.000 . 1 . . . . . 8 VAL H . 27603 1 2 . 1 1 8 8 VAL N N 15 122.189 0.000 . 1 . . . . . 8 VAL N . 27603 1 3 . 1 1 9 9 SER H H 1 8.263 0.000 . 1 . . . . . 9 SER H . 27603 1 4 . 1 1 9 9 SER N N 15 119.180 0.000 . 1 . . . . . 9 SER N . 27603 1 5 . 1 1 10 10 SER H H 1 8.330 0.000 . 1 . . . . . 10 SER H . 27603 1 6 . 1 1 10 10 SER N N 15 118.055 0.001 . 1 . . . . . 10 SER N . 27603 1 7 . 1 1 11 11 ALA H H 1 8.258 0.000 . 1 . . . . . 11 ALA H . 27603 1 8 . 1 1 11 11 ALA N N 15 125.757 0.002 . 1 . . . . . 11 ALA N . 27603 1 9 . 1 1 12 12 ILE H H 1 8.026 0.000 . 1 . . . . . 12 ILE H . 27603 1 10 . 1 1 12 12 ILE N N 15 119.786 0.000 . 1 . . . . . 12 ILE N . 27603 1 11 . 1 1 13 13 GLN H H 1 8.446 0.000 . 1 . . . . . 13 GLN H . 27603 1 12 . 1 1 13 13 GLN N N 15 124.634 0.000 . 1 . . . . . 13 GLN N . 27603 1 13 . 1 1 14 14 SER H H 1 8.380 0.000 . 1 . . . . . 14 SER H . 27603 1 14 . 1 1 14 14 SER N N 15 117.417 0.000 . 1 . . . . . 14 SER N . 27603 1 15 . 1 1 15 15 ASP H H 1 8.463 0.000 . 1 . . . . . 15 ASP H . 27603 1 16 . 1 1 15 15 ASP N N 15 122.417 0.001 . 1 . . . . . 15 ASP N . 27603 1 17 . 1 1 16 16 SER H H 1 8.426 0.000 . 1 . . . . . 16 SER H . 27603 1 18 . 1 1 16 16 SER N N 15 116.657 0.000 . 1 . . . . . 16 SER N . 27603 1 19 . 1 1 17 17 SER H H 1 8.424 0.000 . 1 . . . . . 17 SER H . 27603 1 20 . 1 1 17 17 SER N N 15 117.901 0.002 . 1 . . . . . 17 SER N . 27603 1 21 . 1 1 18 18 GLY H H 1 8.351 0.002 . 1 . . . . . 18 GLY H . 27603 1 22 . 1 1 18 18 GLY CA C 13 45.539 0.000 . 1 . . . . . 18 GLY CA . 27603 1 23 . 1 1 18 18 GLY N N 15 110.426 0.009 . 1 . . . . . 18 GLY N . 27603 1 24 . 1 1 19 19 ARG H H 1 8.102 0.000 . 1 . . . . . 19 ARG H . 27603 1 25 . 1 1 19 19 ARG N N 15 120.464 0.000 . 1 . . . . . 19 ARG N . 27603 1 26 . 1 1 20 20 SER H H 1 8.428 0.000 . 1 . . . . . 20 SER H . 27603 1 27 . 1 1 20 20 SER N N 15 117.065 0.000 . 1 . . . . . 20 SER N . 27603 1 28 . 1 1 21 21 LEU H H 1 8.377 0.001 . 1 . . . . . 21 LEU H . 27603 1 29 . 1 1 21 21 LEU N N 15 124.496 0.001 . 1 . . . . . 21 LEU N . 27603 1 30 . 1 1 22 22 SER H H 1 8.292 0.000 . 1 . . . . . 22 SER H . 27603 1 31 . 1 1 22 22 SER N N 15 115.825 0.000 . 1 . . . . . 22 SER N . 27603 1 32 . 1 1 23 23 ASN H H 1 8.471 0.000 . 1 . . . . . 23 ASN H . 27603 1 33 . 1 1 23 23 ASN N N 15 120.987 0.001 . 1 . . . . . 23 ASN N . 27603 1 34 . 1 1 24 24 VAL H H 1 8.000 0.000 . 1 . . . . . 24 VAL H . 27603 1 35 . 1 1 24 24 VAL N N 15 119.426 0.000 . 1 . . . . . 24 VAL N . 27603 1 36 . 1 1 25 25 ASN H H 1 8.473 0.000 . 1 . . . . . 25 ASN H . 27603 1 37 . 1 1 25 25 ASN N N 15 121.878 0.000 . 1 . . . . . 25 ASN N . 27603 1 38 . 1 1 26 26 ARG H H 1 8.286 0.000 . 1 . . . . . 26 ARG H . 27603 1 39 . 1 1 26 26 ARG N N 15 121.973 0.000 . 1 . . . . . 26 ARG N . 27603 1 40 . 1 1 27 27 LEU H H 1 8.303 0.000 . 1 . . . . . 27 LEU H . 27603 1 41 . 1 1 27 27 LEU N N 15 123.075 0.000 . 1 . . . . . 27 LEU N . 27603 1 42 . 1 1 28 28 ALA H H 1 8.245 0.000 . 1 . . . . . 28 ALA H . 27603 1 43 . 1 1 28 28 ALA N N 15 124.523 0.000 . 1 . . . . . 28 ALA N . 27603 1 44 . 1 1 29 29 GLY H H 1 8.298 0.002 . 1 . . . . . 29 GLY H . 27603 1 45 . 1 1 29 29 GLY CA C 13 45.411 0.000 . 1 . . . . . 29 GLY CA . 27603 1 46 . 1 1 29 29 GLY N N 15 107.877 0.011 . 1 . . . . . 29 GLY N . 27603 1 47 . 1 1 30 30 ASP H H 1 8.242 0.000 . 1 . . . . . 30 ASP H . 27603 1 48 . 1 1 30 30 ASP N N 15 120.241 0.000 . 1 . . . . . 30 ASP N . 27603 1 49 . 1 1 31 31 GLN H H 1 8.386 0.000 . 1 . . . . . 31 GLN H . 27603 1 50 . 1 1 31 31 GLN N N 15 120.308 0.000 . 1 . . . . . 31 GLN N . 27603 1 51 . 1 1 32 32 GLN H H 1 8.419 0.000 . 1 . . . . . 32 GLN H . 27603 1 52 . 1 1 32 32 GLN N N 15 120.669 0.000 . 1 . . . . . 32 GLN N . 27603 1 53 . 1 1 33 33 SER H H 1 8.389 0.000 . 1 . . . . . 33 SER H . 27603 1 54 . 1 1 33 33 SER N N 15 117.017 0.000 . 1 . . . . . 33 SER N . 27603 1 55 . 1 1 34 34 ILE H H 1 8.176 0.000 . 1 . . . . . 34 ILE H . 27603 1 56 . 1 1 34 34 ILE N N 15 122.218 0.000 . 1 . . . . . 34 ILE N . 27603 1 57 . 1 1 35 35 ASN H H 1 8.385 0.000 . 1 . . . . . 35 ASN H . 27603 1 58 . 1 1 35 35 ASN N N 15 121.698 0.000 . 1 . . . . . 35 ASN N . 27603 1 59 . 1 1 36 36 ASP H H 1 8.255 0.000 . 1 . . . . . 36 ASP H . 27603 1 60 . 1 1 36 36 ASP N N 15 121.207 0.000 . 1 . . . . . 36 ASP N . 27603 1 61 . 1 1 37 37 ARG H H 1 8.216 0.000 . 1 . . . . . 37 ARG H . 27603 1 62 . 1 1 37 37 ARG N N 15 121.199 0.000 . 1 . . . . . 37 ARG N . 27603 1 63 . 1 1 38 38 ALA H H 1 8.197 0.000 . 1 . . . . . 38 ALA H . 27603 1 64 . 1 1 38 38 ALA N N 15 123.729 0.000 . 1 . . . . . 38 ALA N . 27603 1 65 . 1 1 39 39 LEU H H 1 8.082 0.000 . 1 . . . . . 39 LEU H . 27603 1 66 . 1 1 39 39 LEU N N 15 120.503 0.000 . 1 . . . . . 39 LEU N . 27603 1 67 . 1 1 40 40 SER H H 1 8.233 0.000 . 1 . . . . . 40 SER H . 27603 1 68 . 1 1 40 40 SER N N 15 116.059 0.000 . 1 . . . . . 40 SER N . 27603 1 69 . 1 1 41 41 LEU H H 1 8.146 0.000 . 1 . . . . . 41 LEU H . 27603 1 70 . 1 1 41 41 LEU N N 15 123.459 0.000 . 1 . . . . . 41 LEU N . 27603 1 71 . 1 1 42 42 LEU H H 1 8.051 0.000 . 1 . . . . . 42 LEU H . 27603 1 72 . 1 1 42 42 LEU N N 15 121.640 0.000 . 1 . . . . . 42 LEU N . 27603 1 73 . 1 1 48 48 THR H H 1 8.118 0.001 . 1 . . . . . 48 THR H . 27603 1 74 . 1 1 48 48 THR CA C 13 61.901 0.000 . 1 . . . . . 48 THR CA . 27603 1 75 . 1 1 48 48 THR N N 15 113.282 0.006 . 1 . . . . . 48 THR N . 27603 1 76 . 1 1 70 70 ILE H H 1 7.897 0.000 . 1 . . . . . 70 ILE H . 27603 1 77 . 1 1 70 70 ILE N N 15 119.922 0.000 . 1 . . . . . 70 ILE N . 27603 1 78 . 1 1 71 71 GLU H H 1 8.473 0.000 . 1 . . . . . 71 GLU H . 27603 1 79 . 1 1 71 71 GLU N N 15 124.481 0.000 . 1 . . . . . 71 GLU N . 27603 1 80 . 1 1 72 72 THR H H 1 8.134 0.000 . 1 . . . . . 72 THR H . 27603 1 81 . 1 1 72 72 THR N N 15 115.375 0.000 . 1 . . . . . 72 THR N . 27603 1 82 . 1 1 73 73 ASP H H 1 8.363 0.000 . 1 . . . . . 73 ASP H . 27603 1 83 . 1 1 73 73 ASP N N 15 122.833 0.000 . 1 . . . . . 73 ASP N . 27603 1 84 . 1 1 74 74 TYR H H 1 8.133 0.000 . 1 . . . . . 74 TYR H . 27603 1 85 . 1 1 74 74 TYR N N 15 120.839 0.000 . 1 . . . . . 74 TYR N . 27603 1 86 . 1 1 75 75 GLU H H 1 8.321 0.000 . 1 . . . . . 75 GLU H . 27603 1 87 . 1 1 75 75 GLU N N 15 122.382 0.000 . 1 . . . . . 75 GLU N . 27603 1 88 . 1 1 76 76 ASP H H 1 8.310 0.000 . 1 . . . . . 76 ASP H . 27603 1 89 . 1 1 76 76 ASP N N 15 121.721 0.000 . 1 . . . . . 76 ASP N . 27603 1 90 . 1 1 77 77 GLN H H 1 8.336 0.000 . 1 . . . . . 77 GLN H . 27603 1 91 . 1 1 77 77 GLN N N 15 120.902 0.000 . 1 . . . . . 77 GLN N . 27603 1 92 . 1 1 78 78 ALA H H 1 8.317 0.000 . 1 . . . . . 78 ALA H . 27603 1 93 . 1 1 78 78 ALA N N 15 124.597 0.000 . 1 . . . . . 78 ALA N . 27603 1 94 . 1 1 79 79 GLY H H 1 8.294 0.002 . 1 . . . . . 79 GLY H . 27603 1 95 . 1 1 79 79 GLY CA C 13 45.368 0.000 . 1 . . . . . 79 GLY CA . 27603 1 96 . 1 1 79 79 GLY N N 15 107.522 0.011 . 1 . . . . . 79 GLY N . 27603 1 97 . 1 1 80 80 ASN H H 1 8.276 0.000 . 1 . . . . . 80 ASN H . 27603 1 98 . 1 1 80 80 ASN N N 15 118.616 0.000 . 1 . . . . . 80 ASN N . 27603 1 99 . 1 1 93 93 MET H H 1 8.387 0.000 . 1 . . . . . 93 MET H . 27603 1 100 . 1 1 93 93 MET N N 15 121.454 0.000 . 1 . . . . . 93 MET N . 27603 1 101 . 1 1 94 94 GLU H H 1 8.566 0.000 . 1 . . . . . 94 GLU H . 27603 1 102 . 1 1 94 94 GLU N N 15 122.691 0.000 . 1 . . . . . 94 GLU N . 27603 1 103 . 1 1 95 95 THR H H 1 8.177 0.000 . 1 . . . . . 95 THR H . 27603 1 104 . 1 1 95 95 THR N N 15 115.001 0.000 . 1 . . . . . 95 THR N . 27603 1 105 . 1 1 111 111 TYR H H 1 8.187 0.000 . 1 . . . . . 111 TYR H . 27603 1 106 . 1 1 111 111 TYR N N 15 120.540 0.000 . 1 . . . . . 111 TYR N . 27603 1 107 . 1 1 112 112 VAL H H 1 7.971 0.000 . 1 . . . . . 112 VAL H . 27603 1 108 . 1 1 112 112 VAL N N 15 122.325 0.000 . 1 . . . . . 112 VAL N . 27603 1 109 . 1 1 148 148 SER H H 1 8.523 0.000 . 1 . . . . . 148 SER H . 27603 1 110 . 1 1 148 148 SER N N 15 117.408 0.000 . 1 . . . . . 148 SER N . 27603 1 111 . 1 1 149 149 THR H H 1 8.155 0.000 . 1 . . . . . 149 THR H . 27603 1 112 . 1 1 149 149 THR N N 15 114.840 0.000 . 1 . . . . . 149 THR N . 27603 1 113 . 1 1 166 166 THR H H 1 8.239 0.000 . 1 . . . . . 166 THR H . 27603 1 114 . 1 1 166 166 THR N N 15 117.537 0.000 . 1 . . . . . 166 THR N . 27603 1 115 . 1 1 170 170 THR H H 1 8.101 0.000 . 1 . . . . . 170 THR H . 27603 1 116 . 1 1 170 170 THR N N 15 115.846 0.000 . 1 . . . . . 170 THR N . 27603 1 117 . 1 1 171 171 THR H H 1 8.196 0.000 . 1 . . . . . 171 THR H . 27603 1 118 . 1 1 171 171 THR N N 15 116.116 0.000 . 1 . . . . . 171 THR N . 27603 1 119 . 1 1 190 190 SER H H 1 8.280 0.000 . 1 . . . . . 190 SER H . 27603 1 120 . 1 1 190 190 SER N N 15 115.135 0.000 . 1 . . . . . 190 SER N . 27603 1 121 . 1 1 193 193 TYR H H 1 7.983 0.000 . 1 . . . . . 193 TYR H . 27603 1 122 . 1 1 193 193 TYR N N 15 118.693 0.000 . 1 . . . . . 193 TYR N . 27603 1 123 . 1 1 196 196 GLY H H 1 8.460 0.000 . 1 . . . . . 196 GLY H . 27603 1 124 . 1 1 196 196 GLY N N 15 112.441 0.000 . 1 . . . . . 196 GLY N . 27603 1 125 . 1 1 197 197 LEU H H 1 7.955 0.000 . 1 . . . . . 197 LEU H . 27603 1 126 . 1 1 197 197 LEU N N 15 121.426 0.000 . 1 . . . . . 197 LEU N . 27603 1 127 . 1 1 226 226 GLY H H 1 8.444 0.000 . 1 . . . . . 226 GLY H . 27603 1 128 . 1 1 226 226 GLY N N 15 110.181 0.000 . 1 . . . . . 226 GLY N . 27603 1 129 . 1 1 227 227 GLN H H 1 8.139 0.000 . 1 . . . . . 227 GLN H . 27603 1 130 . 1 1 227 227 GLN N N 15 119.620 0.000 . 1 . . . . . 227 GLN N . 27603 1 131 . 1 1 228 228 PHE H H 1 8.334 0.000 . 1 . . . . . 228 PHE H . 27603 1 132 . 1 1 228 228 PHE N N 15 121.546 0.000 . 1 . . . . . 228 PHE N . 27603 1 133 . 1 1 229 229 ILE H H 1 7.733 0.000 . 1 . . . . . 229 ILE H . 27603 1 134 . 1 1 229 229 ILE N N 15 126.214 0.000 . 1 . . . . . 229 ILE N . 27603 1 stop_ save_