data_28108 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28108 _Entry.Title ; ILVproS methyl chemical shift assignments of HLA-A*02:01, a human major histocompatibility complex heavy chain, peptide-deficient and bound to human beta-2 microglobulin and the molecular chaperone TAPBPR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-24 _Entry.Accession_date 2020-03-24 _Entry.Last_release_date 2020-03-25 _Entry.Original_release_date 2020-03-25 _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 Andrew McShan . C. . . 28108 2 Nikolaos Sgourakis . G. . . 28108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 30 28108 '1H chemical shifts' 90 28108 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 . . 2020-04-02 . original BMRB . 28108 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28107 'Entry containing the TAX9/ ILVproS HLA-A*02:01 / human beta-2 microglobulin (no in complex with the chaperone TAPBPR)' 28108 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28108 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; TAPBPR Promotes Loading of Cargo on MHC-I Molecules Using a Peptide Trap ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 Andrew McShan . C. . . 28108 1 2 Nikolaos Sgourakis . G. . . 28108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28108 _Assembly.ID 1 _Assembly.Name HLA-A*02:01/hb2m/TAPBPR _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 HLA-A*02:01 1 $HLA-A-02-01 A . yes native no no . . . 28108 1 2 'human beta-2 microglobulin' 2 $human_beta-2_microglobulin B . no native no no . . . 28108 1 3 TAPBPR 3 $TAPBPR C . no native no no . . . 28108 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 101 101 SG . 1 . 1 CYS 164 164 SG . . . . . . . . . . . . 28108 1 2 disulfide single . 1 . 1 CYS 203 203 SG . 1 . 1 CYS 259 259 SG . . . . . . . . . . . . 28108 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'major histocompatibility complex' 28108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HLA-A-02-01 _Entity.Sf_category entity _Entity.Sf_framecode HLA-A-02-01 _Entity.Entry_ID 28108 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HLA-A*02:01 _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 ; GSHSMRYFFTSVSRPGRGEP RFIAVGYVDDTQFVRFDSDA ASQRMEPRAPWIEQEGPEYW DGETRKVKAHSQTHRVDLGT LRGYYNQSEAGSHTVQRMYG CDVGSDWRFLRGYHQYAYDG KDYIALKEDLRSWTAADMAA QTTKHKWEAAHVAEQLRAYL EGTCVEWLRRYLENGKETLQ RTDAPKTHMTHHAVSDHEAT LRCWALSFYPAEITLTWQRD GEDQTQDTELVETRPAGDGT FQKWAAVVVPSGQEQRYTCH VQHEGLPKPLTLRWEP ; _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 276 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide 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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'major histocompatibility complex heavy chain; immune system' 28108 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 . GLY . 28108 1 2 . SER . 28108 1 3 . HIS . 28108 1 4 . SER . 28108 1 5 . MET . 28108 1 6 . ARG . 28108 1 7 . TYR . 28108 1 8 . PHE . 28108 1 9 . PHE . 28108 1 10 . THR . 28108 1 11 . SER . 28108 1 12 . VAL . 28108 1 13 . SER . 28108 1 14 . ARG . 28108 1 15 . PRO . 28108 1 16 . GLY . 28108 1 17 . ARG . 28108 1 18 . GLY . 28108 1 19 . GLU . 28108 1 20 . PRO . 28108 1 21 . ARG . 28108 1 22 . PHE . 28108 1 23 . ILE . 28108 1 24 . ALA . 28108 1 25 . VAL . 28108 1 26 . GLY . 28108 1 27 . TYR . 28108 1 28 . VAL . 28108 1 29 . ASP . 28108 1 30 . ASP . 28108 1 31 . THR . 28108 1 32 . GLN . 28108 1 33 . PHE . 28108 1 34 . VAL . 28108 1 35 . ARG . 28108 1 36 . PHE . 28108 1 37 . ASP . 28108 1 38 . SER . 28108 1 39 . ASP . 28108 1 40 . ALA . 28108 1 41 . ALA . 28108 1 42 . SER . 28108 1 43 . GLN . 28108 1 44 . ARG . 28108 1 45 . MET . 28108 1 46 . GLU . 28108 1 47 . PRO . 28108 1 48 . ARG . 28108 1 49 . ALA . 28108 1 50 . PRO . 28108 1 51 . TRP . 28108 1 52 . ILE . 28108 1 53 . GLU . 28108 1 54 . GLN . 28108 1 55 . GLU . 28108 1 56 . GLY . 28108 1 57 . PRO . 28108 1 58 . GLU . 28108 1 59 . TYR . 28108 1 60 . TRP . 28108 1 61 . ASP . 28108 1 62 . GLY . 28108 1 63 . GLU . 28108 1 64 . THR . 28108 1 65 . ARG . 28108 1 66 . LYS . 28108 1 67 . VAL . 28108 1 68 . LYS . 28108 1 69 . ALA . 28108 1 70 . HIS . 28108 1 71 . SER . 28108 1 72 . GLN . 28108 1 73 . THR . 28108 1 74 . HIS . 28108 1 75 . ARG . 28108 1 76 . VAL . 28108 1 77 . ASP . 28108 1 78 . LEU . 28108 1 79 . GLY . 28108 1 80 . THR . 28108 1 81 . LEU . 28108 1 82 . ARG . 28108 1 83 . GLY . 28108 1 84 . TYR . 28108 1 85 . TYR . 28108 1 86 . ASN . 28108 1 87 . GLN . 28108 1 88 . SER . 28108 1 89 . GLU . 28108 1 90 . ALA . 28108 1 91 . GLY . 28108 1 92 . SER . 28108 1 93 . HIS . 28108 1 94 . THR . 28108 1 95 . VAL . 28108 1 96 . GLN . 28108 1 97 . ARG . 28108 1 98 . MET . 28108 1 99 . TYR . 28108 1 100 . GLY . 28108 1 101 . CYS . 28108 1 102 . ASP . 28108 1 103 . VAL . 28108 1 104 . GLY . 28108 1 105 . SER . 28108 1 106 . ASP . 28108 1 107 . TRP . 28108 1 108 . ARG . 28108 1 109 . PHE . 28108 1 110 . LEU . 28108 1 111 . ARG . 28108 1 112 . GLY . 28108 1 113 . TYR . 28108 1 114 . HIS . 28108 1 115 . GLN . 28108 1 116 . TYR . 28108 1 117 . ALA . 28108 1 118 . TYR . 28108 1 119 . ASP . 28108 1 120 . GLY . 28108 1 121 . LYS . 28108 1 122 . ASP . 28108 1 123 . TYR . 28108 1 124 . ILE . 28108 1 125 . ALA . 28108 1 126 . LEU . 28108 1 127 . LYS . 28108 1 128 . GLU . 28108 1 129 . ASP . 28108 1 130 . LEU . 28108 1 131 . ARG . 28108 1 132 . SER . 28108 1 133 . TRP . 28108 1 134 . THR . 28108 1 135 . ALA . 28108 1 136 . ALA . 28108 1 137 . ASP . 28108 1 138 . MET . 28108 1 139 . ALA . 28108 1 140 . ALA . 28108 1 141 . GLN . 28108 1 142 . THR . 28108 1 143 . THR . 28108 1 144 . LYS . 28108 1 145 . HIS . 28108 1 146 . LYS . 28108 1 147 . TRP . 28108 1 148 . GLU . 28108 1 149 . ALA . 28108 1 150 . ALA . 28108 1 151 . HIS . 28108 1 152 . VAL . 28108 1 153 . ALA . 28108 1 154 . GLU . 28108 1 155 . GLN . 28108 1 156 . LEU . 28108 1 157 . ARG . 28108 1 158 . ALA . 28108 1 159 . TYR . 28108 1 160 . LEU . 28108 1 161 . GLU . 28108 1 162 . GLY . 28108 1 163 . THR . 28108 1 164 . CYS . 28108 1 165 . VAL . 28108 1 166 . GLU . 28108 1 167 . TRP . 28108 1 168 . LEU . 28108 1 169 . ARG . 28108 1 170 . ARG . 28108 1 171 . TYR . 28108 1 172 . LEU . 28108 1 173 . GLU . 28108 1 174 . ASN . 28108 1 175 . GLY . 28108 1 176 . LYS . 28108 1 177 . GLU . 28108 1 178 . THR . 28108 1 179 . LEU . 28108 1 180 . GLN . 28108 1 181 . ARG . 28108 1 182 . THR . 28108 1 183 . ASP . 28108 1 184 . ALA . 28108 1 185 . PRO . 28108 1 186 . LYS . 28108 1 187 . THR . 28108 1 188 . HIS . 28108 1 189 . MET . 28108 1 190 . THR . 28108 1 191 . HIS . 28108 1 192 . HIS . 28108 1 193 . ALA . 28108 1 194 . VAL . 28108 1 195 . SER . 28108 1 196 . ASP . 28108 1 197 . HIS . 28108 1 198 . GLU . 28108 1 199 . ALA . 28108 1 200 . THR . 28108 1 201 . LEU . 28108 1 202 . ARG . 28108 1 203 . CYS . 28108 1 204 . TRP . 28108 1 205 . ALA . 28108 1 206 . LEU . 28108 1 207 . SER . 28108 1 208 . PHE . 28108 1 209 . TYR . 28108 1 210 . PRO . 28108 1 211 . ALA . 28108 1 212 . GLU . 28108 1 213 . ILE . 28108 1 214 . THR . 28108 1 215 . LEU . 28108 1 216 . THR . 28108 1 217 . TRP . 28108 1 218 . GLN . 28108 1 219 . ARG . 28108 1 220 . ASP . 28108 1 221 . GLY . 28108 1 222 . GLU . 28108 1 223 . ASP . 28108 1 224 . GLN . 28108 1 225 . THR . 28108 1 226 . GLN . 28108 1 227 . ASP . 28108 1 228 . THR . 28108 1 229 . GLU . 28108 1 230 . LEU . 28108 1 231 . VAL . 28108 1 232 . GLU . 28108 1 233 . THR . 28108 1 234 . ARG . 28108 1 235 . PRO . 28108 1 236 . ALA . 28108 1 237 . GLY . 28108 1 238 . ASP . 28108 1 239 . GLY . 28108 1 240 . THR . 28108 1 241 . PHE . 28108 1 242 . GLN . 28108 1 243 . LYS . 28108 1 244 . TRP . 28108 1 245 . ALA . 28108 1 246 . ALA . 28108 1 247 . VAL . 28108 1 248 . VAL . 28108 1 249 . VAL . 28108 1 250 . PRO . 28108 1 251 . SER . 28108 1 252 . GLY . 28108 1 253 . GLN . 28108 1 254 . GLU . 28108 1 255 . GLN . 28108 1 256 . ARG . 28108 1 257 . TYR . 28108 1 258 . THR . 28108 1 259 . CYS . 28108 1 260 . HIS . 28108 1 261 . VAL . 28108 1 262 . GLN . 28108 1 263 . HIS . 28108 1 264 . GLU . 28108 1 265 . GLY . 28108 1 266 . LEU . 28108 1 267 . PRO . 28108 1 268 . LYS . 28108 1 269 . PRO . 28108 1 270 . LEU . 28108 1 271 . THR . 28108 1 272 . LEU . 28108 1 273 . ARG . 28108 1 274 . TRP . 28108 1 275 . GLU . 28108 1 276 . PRO . 28108 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 . GLY 1 1 28108 1 . SER 2 2 28108 1 . HIS 3 3 28108 1 . SER 4 4 28108 1 . MET 5 5 28108 1 . ARG 6 6 28108 1 . TYR 7 7 28108 1 . PHE 8 8 28108 1 . PHE 9 9 28108 1 . THR 10 10 28108 1 . SER 11 11 28108 1 . VAL 12 12 28108 1 . SER 13 13 28108 1 . ARG 14 14 28108 1 . PRO 15 15 28108 1 . GLY 16 16 28108 1 . ARG 17 17 28108 1 . GLY 18 18 28108 1 . GLU 19 19 28108 1 . PRO 20 20 28108 1 . ARG 21 21 28108 1 . PHE 22 22 28108 1 . ILE 23 23 28108 1 . ALA 24 24 28108 1 . VAL 25 25 28108 1 . GLY 26 26 28108 1 . TYR 27 27 28108 1 . VAL 28 28 28108 1 . ASP 29 29 28108 1 . ASP 30 30 28108 1 . THR 31 31 28108 1 . GLN 32 32 28108 1 . PHE 33 33 28108 1 . VAL 34 34 28108 1 . ARG 35 35 28108 1 . PHE 36 36 28108 1 . ASP 37 37 28108 1 . SER 38 38 28108 1 . ASP 39 39 28108 1 . ALA 40 40 28108 1 . ALA 41 41 28108 1 . SER 42 42 28108 1 . GLN 43 43 28108 1 . ARG 44 44 28108 1 . MET 45 45 28108 1 . GLU 46 46 28108 1 . PRO 47 47 28108 1 . ARG 48 48 28108 1 . ALA 49 49 28108 1 . PRO 50 50 28108 1 . TRP 51 51 28108 1 . ILE 52 52 28108 1 . GLU 53 53 28108 1 . GLN 54 54 28108 1 . GLU 55 55 28108 1 . GLY 56 56 28108 1 . PRO 57 57 28108 1 . GLU 58 58 28108 1 . TYR 59 59 28108 1 . TRP 60 60 28108 1 . ASP 61 61 28108 1 . GLY 62 62 28108 1 . GLU 63 63 28108 1 . THR 64 64 28108 1 . ARG 65 65 28108 1 . LYS 66 66 28108 1 . VAL 67 67 28108 1 . LYS 68 68 28108 1 . ALA 69 69 28108 1 . HIS 70 70 28108 1 . SER 71 71 28108 1 . GLN 72 72 28108 1 . THR 73 73 28108 1 . HIS 74 74 28108 1 . ARG 75 75 28108 1 . VAL 76 76 28108 1 . ASP 77 77 28108 1 . LEU 78 78 28108 1 . GLY 79 79 28108 1 . THR 80 80 28108 1 . LEU 81 81 28108 1 . ARG 82 82 28108 1 . GLY 83 83 28108 1 . TYR 84 84 28108 1 . TYR 85 85 28108 1 . ASN 86 86 28108 1 . GLN 87 87 28108 1 . SER 88 88 28108 1 . GLU 89 89 28108 1 . ALA 90 90 28108 1 . GLY 91 91 28108 1 . SER 92 92 28108 1 . HIS 93 93 28108 1 . THR 94 94 28108 1 . VAL 95 95 28108 1 . GLN 96 96 28108 1 . ARG 97 97 28108 1 . MET 98 98 28108 1 . TYR 99 99 28108 1 . GLY 100 100 28108 1 . CYS 101 101 28108 1 . ASP 102 102 28108 1 . VAL 103 103 28108 1 . GLY 104 104 28108 1 . SER 105 105 28108 1 . ASP 106 106 28108 1 . TRP 107 107 28108 1 . ARG 108 108 28108 1 . PHE 109 109 28108 1 . LEU 110 110 28108 1 . ARG 111 111 28108 1 . GLY 112 112 28108 1 . TYR 113 113 28108 1 . HIS 114 114 28108 1 . GLN 115 115 28108 1 . TYR 116 116 28108 1 . ALA 117 117 28108 1 . TYR 118 118 28108 1 . ASP 119 119 28108 1 . GLY 120 120 28108 1 . LYS 121 121 28108 1 . ASP 122 122 28108 1 . TYR 123 123 28108 1 . ILE 124 124 28108 1 . ALA 125 125 28108 1 . LEU 126 126 28108 1 . LYS 127 127 28108 1 . GLU 128 128 28108 1 . ASP 129 129 28108 1 . LEU 130 130 28108 1 . ARG 131 131 28108 1 . SER 132 132 28108 1 . TRP 133 133 28108 1 . THR 134 134 28108 1 . ALA 135 135 28108 1 . ALA 136 136 28108 1 . ASP 137 137 28108 1 . MET 138 138 28108 1 . ALA 139 139 28108 1 . ALA 140 140 28108 1 . GLN 141 141 28108 1 . THR 142 142 28108 1 . THR 143 143 28108 1 . LYS 144 144 28108 1 . HIS 145 145 28108 1 . LYS 146 146 28108 1 . TRP 147 147 28108 1 . GLU 148 148 28108 1 . ALA 149 149 28108 1 . ALA 150 150 28108 1 . HIS 151 151 28108 1 . VAL 152 152 28108 1 . ALA 153 153 28108 1 . GLU 154 154 28108 1 . GLN 155 155 28108 1 . LEU 156 156 28108 1 . ARG 157 157 28108 1 . ALA 158 158 28108 1 . TYR 159 159 28108 1 . LEU 160 160 28108 1 . GLU 161 161 28108 1 . GLY 162 162 28108 1 . THR 163 163 28108 1 . CYS 164 164 28108 1 . VAL 165 165 28108 1 . GLU 166 166 28108 1 . TRP 167 167 28108 1 . LEU 168 168 28108 1 . ARG 169 169 28108 1 . ARG 170 170 28108 1 . TYR 171 171 28108 1 . LEU 172 172 28108 1 . GLU 173 173 28108 1 . ASN 174 174 28108 1 . GLY 175 175 28108 1 . LYS 176 176 28108 1 . GLU 177 177 28108 1 . THR 178 178 28108 1 . LEU 179 179 28108 1 . GLN 180 180 28108 1 . ARG 181 181 28108 1 . THR 182 182 28108 1 . ASP 183 183 28108 1 . ALA 184 184 28108 1 . PRO 185 185 28108 1 . LYS 186 186 28108 1 . THR 187 187 28108 1 . HIS 188 188 28108 1 . MET 189 189 28108 1 . THR 190 190 28108 1 . HIS 191 191 28108 1 . HIS 192 192 28108 1 . ALA 193 193 28108 1 . VAL 194 194 28108 1 . SER 195 195 28108 1 . ASP 196 196 28108 1 . HIS 197 197 28108 1 . GLU 198 198 28108 1 . ALA 199 199 28108 1 . THR 200 200 28108 1 . LEU 201 201 28108 1 . ARG 202 202 28108 1 . CYS 203 203 28108 1 . TRP 204 204 28108 1 . ALA 205 205 28108 1 . LEU 206 206 28108 1 . SER 207 207 28108 1 . PHE 208 208 28108 1 . TYR 209 209 28108 1 . PRO 210 210 28108 1 . ALA 211 211 28108 1 . GLU 212 212 28108 1 . ILE 213 213 28108 1 . THR 214 214 28108 1 . LEU 215 215 28108 1 . THR 216 216 28108 1 . TRP 217 217 28108 1 . GLN 218 218 28108 1 . ARG 219 219 28108 1 . ASP 220 220 28108 1 . GLY 221 221 28108 1 . GLU 222 222 28108 1 . ASP 223 223 28108 1 . GLN 224 224 28108 1 . THR 225 225 28108 1 . GLN 226 226 28108 1 . ASP 227 227 28108 1 . THR 228 228 28108 1 . GLU 229 229 28108 1 . LEU 230 230 28108 1 . VAL 231 231 28108 1 . GLU 232 232 28108 1 . THR 233 233 28108 1 . ARG 234 234 28108 1 . PRO 235 235 28108 1 . ALA 236 236 28108 1 . GLY 237 237 28108 1 . ASP 238 238 28108 1 . GLY 239 239 28108 1 . THR 240 240 28108 1 . PHE 241 241 28108 1 . GLN 242 242 28108 1 . LYS 243 243 28108 1 . TRP 244 244 28108 1 . ALA 245 245 28108 1 . ALA 246 246 28108 1 . VAL 247 247 28108 1 . VAL 248 248 28108 1 . VAL 249 249 28108 1 . PRO 250 250 28108 1 . SER 251 251 28108 1 . GLY 252 252 28108 1 . GLN 253 253 28108 1 . GLU 254 254 28108 1 . GLN 255 255 28108 1 . ARG 256 256 28108 1 . TYR 257 257 28108 1 . THR 258 258 28108 1 . CYS 259 259 28108 1 . HIS 260 260 28108 1 . VAL 261 261 28108 1 . GLN 262 262 28108 1 . HIS 263 263 28108 1 . GLU 264 264 28108 1 . GLY 265 265 28108 1 . LEU 266 266 28108 1 . PRO 267 267 28108 1 . LYS 268 268 28108 1 . PRO 269 269 28108 1 . LEU 270 270 28108 1 . THR 271 271 28108 1 . LEU 272 272 28108 1 . ARG 273 273 28108 1 . TRP 274 274 28108 1 . GLU 275 275 28108 1 . PRO 276 276 28108 1 stop_ save_ save_human_beta-2_microglobulin _Entity.Sf_category entity _Entity.Sf_framecode human_beta-2_microglobulin _Entity.Entry_ID 28108 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name human_beta-2_microglobulin _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 ; IQRTPKIQVYSRHPAENGKS NFLNCYVSGFHPSDIEVDLL KNGERIEKVEHSDLSFSKDW SFYLLYYTEFTPTEKDEYAC RVNHVTLSQPKIVKWDRDM ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide 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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'major histocompatibility complex light chain; immune system' 28108 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 . ILE . 28108 2 2 . GLN . 28108 2 3 . ARG . 28108 2 4 . THR . 28108 2 5 . PRO . 28108 2 6 . LYS . 28108 2 7 . ILE . 28108 2 8 . GLN . 28108 2 9 . VAL . 28108 2 10 . TYR . 28108 2 11 . SER . 28108 2 12 . ARG . 28108 2 13 . HIS . 28108 2 14 . PRO . 28108 2 15 . ALA . 28108 2 16 . GLU . 28108 2 17 . ASN . 28108 2 18 . GLY . 28108 2 19 . LYS . 28108 2 20 . SER . 28108 2 21 . ASN . 28108 2 22 . PHE . 28108 2 23 . LEU . 28108 2 24 . ASN . 28108 2 25 . CYS . 28108 2 26 . TYR . 28108 2 27 . VAL . 28108 2 28 . SER . 28108 2 29 . GLY . 28108 2 30 . PHE . 28108 2 31 . HIS . 28108 2 32 . PRO . 28108 2 33 . SER . 28108 2 34 . ASP . 28108 2 35 . ILE . 28108 2 36 . GLU . 28108 2 37 . VAL . 28108 2 38 . ASP . 28108 2 39 . LEU . 28108 2 40 . LEU . 28108 2 41 . LYS . 28108 2 42 . ASN . 28108 2 43 . GLY . 28108 2 44 . GLU . 28108 2 45 . ARG . 28108 2 46 . ILE . 28108 2 47 . GLU . 28108 2 48 . LYS . 28108 2 49 . VAL . 28108 2 50 . GLU . 28108 2 51 . HIS . 28108 2 52 . SER . 28108 2 53 . ASP . 28108 2 54 . LEU . 28108 2 55 . SER . 28108 2 56 . PHE . 28108 2 57 . SER . 28108 2 58 . LYS . 28108 2 59 . ASP . 28108 2 60 . TRP . 28108 2 61 . SER . 28108 2 62 . PHE . 28108 2 63 . TYR . 28108 2 64 . LEU . 28108 2 65 . LEU . 28108 2 66 . TYR . 28108 2 67 . TYR . 28108 2 68 . THR . 28108 2 69 . GLU . 28108 2 70 . PHE . 28108 2 71 . THR . 28108 2 72 . PRO . 28108 2 73 . THR . 28108 2 74 . GLU . 28108 2 75 . LYS . 28108 2 76 . ASP . 28108 2 77 . GLU . 28108 2 78 . TYR . 28108 2 79 . ALA . 28108 2 80 . CYS . 28108 2 81 . ARG . 28108 2 82 . VAL . 28108 2 83 . ASN . 28108 2 84 . HIS . 28108 2 85 . VAL . 28108 2 86 . THR . 28108 2 87 . LEU . 28108 2 88 . SER . 28108 2 89 . GLN . 28108 2 90 . PRO . 28108 2 91 . LYS . 28108 2 92 . ILE . 28108 2 93 . VAL . 28108 2 94 . LYS . 28108 2 95 . TRP . 28108 2 96 . ASP . 28108 2 97 . ARG . 28108 2 98 . ASP . 28108 2 99 . MET . 28108 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ILE 1 1 28108 2 . GLN 2 2 28108 2 . ARG 3 3 28108 2 . THR 4 4 28108 2 . PRO 5 5 28108 2 . LYS 6 6 28108 2 . ILE 7 7 28108 2 . GLN 8 8 28108 2 . VAL 9 9 28108 2 . TYR 10 10 28108 2 . SER 11 11 28108 2 . ARG 12 12 28108 2 . HIS 13 13 28108 2 . PRO 14 14 28108 2 . ALA 15 15 28108 2 . GLU 16 16 28108 2 . ASN 17 17 28108 2 . GLY 18 18 28108 2 . LYS 19 19 28108 2 . SER 20 20 28108 2 . ASN 21 21 28108 2 . PHE 22 22 28108 2 . LEU 23 23 28108 2 . ASN 24 24 28108 2 . CYS 25 25 28108 2 . TYR 26 26 28108 2 . VAL 27 27 28108 2 . SER 28 28 28108 2 . GLY 29 29 28108 2 . PHE 30 30 28108 2 . HIS 31 31 28108 2 . PRO 32 32 28108 2 . SER 33 33 28108 2 . ASP 34 34 28108 2 . ILE 35 35 28108 2 . GLU 36 36 28108 2 . VAL 37 37 28108 2 . ASP 38 38 28108 2 . LEU 39 39 28108 2 . LEU 40 40 28108 2 . LYS 41 41 28108 2 . ASN 42 42 28108 2 . GLY 43 43 28108 2 . GLU 44 44 28108 2 . ARG 45 45 28108 2 . ILE 46 46 28108 2 . GLU 47 47 28108 2 . LYS 48 48 28108 2 . VAL 49 49 28108 2 . GLU 50 50 28108 2 . HIS 51 51 28108 2 . SER 52 52 28108 2 . ASP 53 53 28108 2 . LEU 54 54 28108 2 . SER 55 55 28108 2 . PHE 56 56 28108 2 . SER 57 57 28108 2 . LYS 58 58 28108 2 . ASP 59 59 28108 2 . TRP 60 60 28108 2 . SER 61 61 28108 2 . PHE 62 62 28108 2 . TYR 63 63 28108 2 . LEU 64 64 28108 2 . LEU 65 65 28108 2 . TYR 66 66 28108 2 . TYR 67 67 28108 2 . THR 68 68 28108 2 . GLU 69 69 28108 2 . PHE 70 70 28108 2 . THR 71 71 28108 2 . PRO 72 72 28108 2 . THR 73 73 28108 2 . GLU 74 74 28108 2 . LYS 75 75 28108 2 . ASP 76 76 28108 2 . GLU 77 77 28108 2 . TYR 78 78 28108 2 . ALA 79 79 28108 2 . CYS 80 80 28108 2 . ARG 81 81 28108 2 . VAL 82 82 28108 2 . ASN 83 83 28108 2 . HIS 84 84 28108 2 . VAL 85 85 28108 2 . THR 86 86 28108 2 . LEU 87 87 28108 2 . SER 88 88 28108 2 . GLN 89 89 28108 2 . PRO 90 90 28108 2 . LYS 91 91 28108 2 . ILE 92 92 28108 2 . VAL 93 93 28108 2 . LYS 94 94 28108 2 . TRP 95 95 28108 2 . ASP 96 96 28108 2 . ARG 97 97 28108 2 . ASP 98 98 28108 2 . MET 99 99 28108 2 stop_ save_ save_TAPBPR _Entity.Sf_category entity _Entity.Sf_framecode TAPBPR _Entity.Entry_ID 28108 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name TAPBPR _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 ; KPHPAEGQWRAVDVVLDCFL VKDGAHRGALASSEDRARAS LVLKQVPVLDDGSLEDFTDF QGGTLAQDDPPIIFEASVDL VQIPQAEALLHADCSGKEVT CEISRYFLQMTETTVKTAAW FMANVQVSGGGPSISLVMKT PRVAKNEVLWHPTLNLPLSP QGTVRTAVEFQVMTQTQSLS FLLGSSASLDCGFSMAPGLD LISVEWRLQHKGRGQLVYSW TAGQGQAVRKGATLEPAQLG MARDASLTLPGLTIQDEGTY ICQITTSLYRAQQIIQLNIQ ASPKVRLSLANEALLPTLIC DIAGYYPLDVVVTWTREELG GSPAQVSGASFSSLRQSVAG TYSISSSLTAEPGSAGATYT CQVTHISLEEPLGASTQVVP PERRLEGGLEVLFQGPGGGL NDIFEAQKIEWHEGGHHHHH 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 421 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide 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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'molecular chaperone TAPBPR, tapasin homolog, immune system' 28108 3 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 . LYS . 28108 3 2 . PRO . 28108 3 3 . HIS . 28108 3 4 . PRO . 28108 3 5 . ALA . 28108 3 6 . GLU . 28108 3 7 . GLY . 28108 3 8 . GLN . 28108 3 9 . TRP . 28108 3 10 . ARG . 28108 3 11 . ALA . 28108 3 12 . VAL . 28108 3 13 . ASP . 28108 3 14 . VAL . 28108 3 15 . VAL . 28108 3 16 . LEU . 28108 3 17 . ASP . 28108 3 18 . CYS . 28108 3 19 . PHE . 28108 3 20 . LEU . 28108 3 21 . VAL . 28108 3 22 . LYS . 28108 3 23 . ASP . 28108 3 24 . GLY . 28108 3 25 . ALA . 28108 3 26 . HIS . 28108 3 27 . ARG . 28108 3 28 . GLY . 28108 3 29 . ALA . 28108 3 30 . LEU . 28108 3 31 . ALA . 28108 3 32 . SER . 28108 3 33 . SER . 28108 3 34 . GLU . 28108 3 35 . ASP . 28108 3 36 . ARG . 28108 3 37 . ALA . 28108 3 38 . ARG . 28108 3 39 . ALA . 28108 3 40 . SER . 28108 3 41 . LEU . 28108 3 42 . VAL . 28108 3 43 . LEU . 28108 3 44 . LYS . 28108 3 45 . GLN . 28108 3 46 . VAL . 28108 3 47 . PRO . 28108 3 48 . VAL . 28108 3 49 . LEU . 28108 3 50 . ASP . 28108 3 51 . ASP . 28108 3 52 . GLY . 28108 3 53 . SER . 28108 3 54 . LEU . 28108 3 55 . GLU . 28108 3 56 . ASP . 28108 3 57 . PHE . 28108 3 58 . THR . 28108 3 59 . ASP . 28108 3 60 . PHE . 28108 3 61 . GLN . 28108 3 62 . GLY . 28108 3 63 . GLY . 28108 3 64 . THR . 28108 3 65 . LEU . 28108 3 66 . ALA . 28108 3 67 . GLN . 28108 3 68 . ASP . 28108 3 69 . ASP . 28108 3 70 . PRO . 28108 3 71 . PRO . 28108 3 72 . ILE . 28108 3 73 . ILE . 28108 3 74 . PHE . 28108 3 75 . GLU . 28108 3 76 . ALA . 28108 3 77 . SER . 28108 3 78 . VAL . 28108 3 79 . ASP . 28108 3 80 . LEU . 28108 3 81 . VAL . 28108 3 82 . GLN . 28108 3 83 . ILE . 28108 3 84 . PRO . 28108 3 85 . GLN . 28108 3 86 . ALA . 28108 3 87 . GLU . 28108 3 88 . ALA . 28108 3 89 . LEU . 28108 3 90 . LEU . 28108 3 91 . HIS . 28108 3 92 . ALA . 28108 3 93 . ASP . 28108 3 94 . CYS . 28108 3 95 . SER . 28108 3 96 . GLY . 28108 3 97 . LYS . 28108 3 98 . GLU . 28108 3 99 . VAL . 28108 3 100 . THR . 28108 3 101 . CYS . 28108 3 102 . GLU . 28108 3 103 . ILE . 28108 3 104 . SER . 28108 3 105 . ARG . 28108 3 106 . TYR . 28108 3 107 . PHE . 28108 3 108 . LEU . 28108 3 109 . GLN . 28108 3 110 . MET . 28108 3 111 . THR . 28108 3 112 . GLU . 28108 3 113 . THR . 28108 3 114 . THR . 28108 3 115 . VAL . 28108 3 116 . LYS . 28108 3 117 . THR . 28108 3 118 . ALA . 28108 3 119 . ALA . 28108 3 120 . TRP . 28108 3 121 . PHE . 28108 3 122 . MET . 28108 3 123 . ALA . 28108 3 124 . ASN . 28108 3 125 . VAL . 28108 3 126 . GLN . 28108 3 127 . VAL . 28108 3 128 . SER . 28108 3 129 . GLY . 28108 3 130 . GLY . 28108 3 131 . GLY . 28108 3 132 . PRO . 28108 3 133 . SER . 28108 3 134 . ILE . 28108 3 135 . SER . 28108 3 136 . LEU . 28108 3 137 . VAL . 28108 3 138 . MET . 28108 3 139 . LYS . 28108 3 140 . THR . 28108 3 141 . PRO . 28108 3 142 . ARG . 28108 3 143 . VAL . 28108 3 144 . ALA . 28108 3 145 . LYS . 28108 3 146 . ASN . 28108 3 147 . GLU . 28108 3 148 . VAL . 28108 3 149 . LEU . 28108 3 150 . TRP . 28108 3 151 . HIS . 28108 3 152 . PRO . 28108 3 153 . THR . 28108 3 154 . LEU . 28108 3 155 . ASN . 28108 3 156 . LEU . 28108 3 157 . PRO . 28108 3 158 . LEU . 28108 3 159 . SER . 28108 3 160 . PRO . 28108 3 161 . GLN . 28108 3 162 . GLY . 28108 3 163 . THR . 28108 3 164 . VAL . 28108 3 165 . ARG . 28108 3 166 . THR . 28108 3 167 . ALA . 28108 3 168 . VAL . 28108 3 169 . GLU . 28108 3 170 . PHE . 28108 3 171 . GLN . 28108 3 172 . VAL . 28108 3 173 . MET . 28108 3 174 . THR . 28108 3 175 . GLN . 28108 3 176 . THR . 28108 3 177 . GLN . 28108 3 178 . SER . 28108 3 179 . LEU . 28108 3 180 . SER . 28108 3 181 . PHE . 28108 3 182 . LEU . 28108 3 183 . LEU . 28108 3 184 . GLY . 28108 3 185 . SER . 28108 3 186 . SER . 28108 3 187 . ALA . 28108 3 188 . SER . 28108 3 189 . LEU . 28108 3 190 . ASP . 28108 3 191 . CYS . 28108 3 192 . GLY . 28108 3 193 . PHE . 28108 3 194 . SER . 28108 3 195 . MET . 28108 3 196 . ALA . 28108 3 197 . PRO . 28108 3 198 . GLY . 28108 3 199 . LEU . 28108 3 200 . ASP . 28108 3 201 . LEU . 28108 3 202 . ILE . 28108 3 203 . SER . 28108 3 204 . VAL . 28108 3 205 . GLU . 28108 3 206 . TRP . 28108 3 207 . ARG . 28108 3 208 . LEU . 28108 3 209 . GLN . 28108 3 210 . HIS . 28108 3 211 . LYS . 28108 3 212 . GLY . 28108 3 213 . ARG . 28108 3 214 . GLY . 28108 3 215 . GLN . 28108 3 216 . LEU . 28108 3 217 . VAL . 28108 3 218 . TYR . 28108 3 219 . SER . 28108 3 220 . TRP . 28108 3 221 . THR . 28108 3 222 . ALA . 28108 3 223 . GLY . 28108 3 224 . GLN . 28108 3 225 . GLY . 28108 3 226 . GLN . 28108 3 227 . ALA . 28108 3 228 . VAL . 28108 3 229 . ARG . 28108 3 230 . LYS . 28108 3 231 . GLY . 28108 3 232 . ALA . 28108 3 233 . THR . 28108 3 234 . LEU . 28108 3 235 . GLU . 28108 3 236 . PRO . 28108 3 237 . ALA . 28108 3 238 . GLN . 28108 3 239 . LEU . 28108 3 240 . GLY . 28108 3 241 . MET . 28108 3 242 . ALA . 28108 3 243 . ARG . 28108 3 244 . ASP . 28108 3 245 . ALA . 28108 3 246 . SER . 28108 3 247 . LEU . 28108 3 248 . THR . 28108 3 249 . LEU . 28108 3 250 . PRO . 28108 3 251 . GLY . 28108 3 252 . LEU . 28108 3 253 . THR . 28108 3 254 . ILE . 28108 3 255 . GLN . 28108 3 256 . ASP . 28108 3 257 . GLU . 28108 3 258 . GLY . 28108 3 259 . THR . 28108 3 260 . TYR . 28108 3 261 . ILE . 28108 3 262 . CYS . 28108 3 263 . GLN . 28108 3 264 . ILE . 28108 3 265 . THR . 28108 3 266 . THR . 28108 3 267 . SER . 28108 3 268 . LEU . 28108 3 269 . TYR . 28108 3 270 . ARG . 28108 3 271 . ALA . 28108 3 272 . GLN . 28108 3 273 . GLN . 28108 3 274 . ILE . 28108 3 275 . ILE . 28108 3 276 . GLN . 28108 3 277 . LEU . 28108 3 278 . ASN . 28108 3 279 . ILE . 28108 3 280 . GLN . 28108 3 281 . ALA . 28108 3 282 . SER . 28108 3 283 . PRO . 28108 3 284 . LYS . 28108 3 285 . VAL . 28108 3 286 . ARG . 28108 3 287 . LEU . 28108 3 288 . SER . 28108 3 289 . LEU . 28108 3 290 . ALA . 28108 3 291 . ASN . 28108 3 292 . GLU . 28108 3 293 . ALA . 28108 3 294 . LEU . 28108 3 295 . LEU . 28108 3 296 . PRO . 28108 3 297 . THR . 28108 3 298 . LEU . 28108 3 299 . ILE . 28108 3 300 . CYS . 28108 3 301 . ASP . 28108 3 302 . ILE . 28108 3 303 . ALA . 28108 3 304 . GLY . 28108 3 305 . TYR . 28108 3 306 . TYR . 28108 3 307 . PRO . 28108 3 308 . LEU . 28108 3 309 . ASP . 28108 3 310 . VAL . 28108 3 311 . VAL . 28108 3 312 . VAL . 28108 3 313 . THR . 28108 3 314 . TRP . 28108 3 315 . THR . 28108 3 316 . ARG . 28108 3 317 . GLU . 28108 3 318 . GLU . 28108 3 319 . LEU . 28108 3 320 . GLY . 28108 3 321 . GLY . 28108 3 322 . SER . 28108 3 323 . PRO . 28108 3 324 . ALA . 28108 3 325 . GLN . 28108 3 326 . VAL . 28108 3 327 . SER . 28108 3 328 . GLY . 28108 3 329 . ALA . 28108 3 330 . SER . 28108 3 331 . PHE . 28108 3 332 . SER . 28108 3 333 . SER . 28108 3 334 . LEU . 28108 3 335 . ARG . 28108 3 336 . GLN . 28108 3 337 . SER . 28108 3 338 . VAL . 28108 3 339 . ALA . 28108 3 340 . GLY . 28108 3 341 . THR . 28108 3 342 . TYR . 28108 3 343 . SER . 28108 3 344 . ILE . 28108 3 345 . SER . 28108 3 346 . SER . 28108 3 347 . SER . 28108 3 348 . LEU . 28108 3 349 . THR . 28108 3 350 . ALA . 28108 3 351 . GLU . 28108 3 352 . PRO . 28108 3 353 . GLY . 28108 3 354 . SER . 28108 3 355 . ALA . 28108 3 356 . GLY . 28108 3 357 . ALA . 28108 3 358 . THR . 28108 3 359 . TYR . 28108 3 360 . THR . 28108 3 361 . CYS . 28108 3 362 . GLN . 28108 3 363 . VAL . 28108 3 364 . THR . 28108 3 365 . HIS . 28108 3 366 . ILE . 28108 3 367 . SER . 28108 3 368 . LEU . 28108 3 369 . GLU . 28108 3 370 . GLU . 28108 3 371 . PRO . 28108 3 372 . LEU . 28108 3 373 . GLY . 28108 3 374 . ALA . 28108 3 375 . SER . 28108 3 376 . THR . 28108 3 377 . GLN . 28108 3 378 . VAL . 28108 3 379 . VAL . 28108 3 380 . PRO . 28108 3 381 . PRO . 28108 3 382 . GLU . 28108 3 383 . ARG . 28108 3 384 . ARG . 28108 3 385 . LEU . 28108 3 386 . GLU . 28108 3 387 . GLY . 28108 3 388 . GLY . 28108 3 389 . LEU . 28108 3 390 . GLU . 28108 3 391 . VAL . 28108 3 392 . LEU . 28108 3 393 . PHE . 28108 3 394 . GLN . 28108 3 395 . GLY . 28108 3 396 . PRO . 28108 3 397 . GLY . 28108 3 398 . GLY . 28108 3 399 . GLY . 28108 3 400 . LEU . 28108 3 401 . ASN . 28108 3 402 . ASP . 28108 3 403 . ILE . 28108 3 404 . PHE . 28108 3 405 . GLU . 28108 3 406 . ALA . 28108 3 407 . GLN . 28108 3 408 . LYS . 28108 3 409 . ILE . 28108 3 410 . GLU . 28108 3 411 . TRP . 28108 3 412 . HIS . 28108 3 413 . GLU . 28108 3 414 . GLY . 28108 3 415 . GLY . 28108 3 416 . HIS . 28108 3 417 . HIS . 28108 3 418 . HIS . 28108 3 419 . HIS . 28108 3 420 . HIS . 28108 3 421 . HIS . 28108 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 28108 3 . PRO 2 2 28108 3 . HIS 3 3 28108 3 . PRO 4 4 28108 3 . ALA 5 5 28108 3 . GLU 6 6 28108 3 . GLY 7 7 28108 3 . GLN 8 8 28108 3 . TRP 9 9 28108 3 . ARG 10 10 28108 3 . ALA 11 11 28108 3 . VAL 12 12 28108 3 . ASP 13 13 28108 3 . VAL 14 14 28108 3 . VAL 15 15 28108 3 . LEU 16 16 28108 3 . ASP 17 17 28108 3 . CYS 18 18 28108 3 . PHE 19 19 28108 3 . LEU 20 20 28108 3 . VAL 21 21 28108 3 . LYS 22 22 28108 3 . ASP 23 23 28108 3 . GLY 24 24 28108 3 . ALA 25 25 28108 3 . HIS 26 26 28108 3 . ARG 27 27 28108 3 . GLY 28 28 28108 3 . ALA 29 29 28108 3 . LEU 30 30 28108 3 . ALA 31 31 28108 3 . SER 32 32 28108 3 . SER 33 33 28108 3 . GLU 34 34 28108 3 . ASP 35 35 28108 3 . ARG 36 36 28108 3 . ALA 37 37 28108 3 . ARG 38 38 28108 3 . ALA 39 39 28108 3 . SER 40 40 28108 3 . LEU 41 41 28108 3 . VAL 42 42 28108 3 . LEU 43 43 28108 3 . LYS 44 44 28108 3 . GLN 45 45 28108 3 . VAL 46 46 28108 3 . PRO 47 47 28108 3 . VAL 48 48 28108 3 . LEU 49 49 28108 3 . ASP 50 50 28108 3 . ASP 51 51 28108 3 . GLY 52 52 28108 3 . SER 53 53 28108 3 . LEU 54 54 28108 3 . GLU 55 55 28108 3 . ASP 56 56 28108 3 . PHE 57 57 28108 3 . THR 58 58 28108 3 . ASP 59 59 28108 3 . PHE 60 60 28108 3 . GLN 61 61 28108 3 . GLY 62 62 28108 3 . GLY 63 63 28108 3 . THR 64 64 28108 3 . LEU 65 65 28108 3 . ALA 66 66 28108 3 . GLN 67 67 28108 3 . ASP 68 68 28108 3 . ASP 69 69 28108 3 . PRO 70 70 28108 3 . PRO 71 71 28108 3 . ILE 72 72 28108 3 . ILE 73 73 28108 3 . PHE 74 74 28108 3 . GLU 75 75 28108 3 . ALA 76 76 28108 3 . SER 77 77 28108 3 . VAL 78 78 28108 3 . ASP 79 79 28108 3 . LEU 80 80 28108 3 . VAL 81 81 28108 3 . GLN 82 82 28108 3 . ILE 83 83 28108 3 . PRO 84 84 28108 3 . GLN 85 85 28108 3 . ALA 86 86 28108 3 . GLU 87 87 28108 3 . ALA 88 88 28108 3 . LEU 89 89 28108 3 . LEU 90 90 28108 3 . HIS 91 91 28108 3 . ALA 92 92 28108 3 . ASP 93 93 28108 3 . CYS 94 94 28108 3 . SER 95 95 28108 3 . GLY 96 96 28108 3 . LYS 97 97 28108 3 . GLU 98 98 28108 3 . VAL 99 99 28108 3 . THR 100 100 28108 3 . CYS 101 101 28108 3 . GLU 102 102 28108 3 . ILE 103 103 28108 3 . SER 104 104 28108 3 . ARG 105 105 28108 3 . TYR 106 106 28108 3 . PHE 107 107 28108 3 . LEU 108 108 28108 3 . GLN 109 109 28108 3 . MET 110 110 28108 3 . THR 111 111 28108 3 . GLU 112 112 28108 3 . THR 113 113 28108 3 . THR 114 114 28108 3 . VAL 115 115 28108 3 . LYS 116 116 28108 3 . THR 117 117 28108 3 . ALA 118 118 28108 3 . ALA 119 119 28108 3 . TRP 120 120 28108 3 . PHE 121 121 28108 3 . MET 122 122 28108 3 . ALA 123 123 28108 3 . ASN 124 124 28108 3 . VAL 125 125 28108 3 . GLN 126 126 28108 3 . VAL 127 127 28108 3 . SER 128 128 28108 3 . GLY 129 129 28108 3 . GLY 130 130 28108 3 . GLY 131 131 28108 3 . PRO 132 132 28108 3 . SER 133 133 28108 3 . ILE 134 134 28108 3 . SER 135 135 28108 3 . LEU 136 136 28108 3 . VAL 137 137 28108 3 . MET 138 138 28108 3 . LYS 139 139 28108 3 . THR 140 140 28108 3 . PRO 141 141 28108 3 . ARG 142 142 28108 3 . VAL 143 143 28108 3 . ALA 144 144 28108 3 . LYS 145 145 28108 3 . ASN 146 146 28108 3 . GLU 147 147 28108 3 . VAL 148 148 28108 3 . LEU 149 149 28108 3 . TRP 150 150 28108 3 . HIS 151 151 28108 3 . PRO 152 152 28108 3 . THR 153 153 28108 3 . LEU 154 154 28108 3 . ASN 155 155 28108 3 . LEU 156 156 28108 3 . PRO 157 157 28108 3 . LEU 158 158 28108 3 . SER 159 159 28108 3 . PRO 160 160 28108 3 . GLN 161 161 28108 3 . GLY 162 162 28108 3 . THR 163 163 28108 3 . VAL 164 164 28108 3 . ARG 165 165 28108 3 . THR 166 166 28108 3 . ALA 167 167 28108 3 . VAL 168 168 28108 3 . GLU 169 169 28108 3 . PHE 170 170 28108 3 . GLN 171 171 28108 3 . VAL 172 172 28108 3 . MET 173 173 28108 3 . THR 174 174 28108 3 . GLN 175 175 28108 3 . THR 176 176 28108 3 . GLN 177 177 28108 3 . SER 178 178 28108 3 . LEU 179 179 28108 3 . SER 180 180 28108 3 . PHE 181 181 28108 3 . LEU 182 182 28108 3 . LEU 183 183 28108 3 . GLY 184 184 28108 3 . SER 185 185 28108 3 . SER 186 186 28108 3 . ALA 187 187 28108 3 . SER 188 188 28108 3 . LEU 189 189 28108 3 . ASP 190 190 28108 3 . CYS 191 191 28108 3 . GLY 192 192 28108 3 . PHE 193 193 28108 3 . SER 194 194 28108 3 . MET 195 195 28108 3 . ALA 196 196 28108 3 . PRO 197 197 28108 3 . GLY 198 198 28108 3 . LEU 199 199 28108 3 . ASP 200 200 28108 3 . LEU 201 201 28108 3 . ILE 202 202 28108 3 . SER 203 203 28108 3 . VAL 204 204 28108 3 . GLU 205 205 28108 3 . TRP 206 206 28108 3 . ARG 207 207 28108 3 . LEU 208 208 28108 3 . GLN 209 209 28108 3 . HIS 210 210 28108 3 . LYS 211 211 28108 3 . GLY 212 212 28108 3 . ARG 213 213 28108 3 . GLY 214 214 28108 3 . GLN 215 215 28108 3 . LEU 216 216 28108 3 . VAL 217 217 28108 3 . TYR 218 218 28108 3 . SER 219 219 28108 3 . TRP 220 220 28108 3 . THR 221 221 28108 3 . ALA 222 222 28108 3 . GLY 223 223 28108 3 . GLN 224 224 28108 3 . GLY 225 225 28108 3 . GLN 226 226 28108 3 . ALA 227 227 28108 3 . VAL 228 228 28108 3 . ARG 229 229 28108 3 . LYS 230 230 28108 3 . GLY 231 231 28108 3 . ALA 232 232 28108 3 . THR 233 233 28108 3 . LEU 234 234 28108 3 . GLU 235 235 28108 3 . PRO 236 236 28108 3 . ALA 237 237 28108 3 . GLN 238 238 28108 3 . LEU 239 239 28108 3 . GLY 240 240 28108 3 . MET 241 241 28108 3 . ALA 242 242 28108 3 . ARG 243 243 28108 3 . ASP 244 244 28108 3 . ALA 245 245 28108 3 . SER 246 246 28108 3 . LEU 247 247 28108 3 . THR 248 248 28108 3 . LEU 249 249 28108 3 . PRO 250 250 28108 3 . GLY 251 251 28108 3 . LEU 252 252 28108 3 . THR 253 253 28108 3 . ILE 254 254 28108 3 . GLN 255 255 28108 3 . ASP 256 256 28108 3 . GLU 257 257 28108 3 . GLY 258 258 28108 3 . THR 259 259 28108 3 . TYR 260 260 28108 3 . ILE 261 261 28108 3 . CYS 262 262 28108 3 . GLN 263 263 28108 3 . ILE 264 264 28108 3 . THR 265 265 28108 3 . THR 266 266 28108 3 . SER 267 267 28108 3 . LEU 268 268 28108 3 . TYR 269 269 28108 3 . ARG 270 270 28108 3 . ALA 271 271 28108 3 . GLN 272 272 28108 3 . GLN 273 273 28108 3 . ILE 274 274 28108 3 . ILE 275 275 28108 3 . GLN 276 276 28108 3 . LEU 277 277 28108 3 . ASN 278 278 28108 3 . ILE 279 279 28108 3 . GLN 280 280 28108 3 . ALA 281 281 28108 3 . SER 282 282 28108 3 . PRO 283 283 28108 3 . LYS 284 284 28108 3 . VAL 285 285 28108 3 . ARG 286 286 28108 3 . LEU 287 287 28108 3 . SER 288 288 28108 3 . LEU 289 289 28108 3 . ALA 290 290 28108 3 . ASN 291 291 28108 3 . GLU 292 292 28108 3 . ALA 293 293 28108 3 . LEU 294 294 28108 3 . LEU 295 295 28108 3 . PRO 296 296 28108 3 . THR 297 297 28108 3 . LEU 298 298 28108 3 . ILE 299 299 28108 3 . CYS 300 300 28108 3 . ASP 301 301 28108 3 . ILE 302 302 28108 3 . ALA 303 303 28108 3 . GLY 304 304 28108 3 . TYR 305 305 28108 3 . TYR 306 306 28108 3 . PRO 307 307 28108 3 . LEU 308 308 28108 3 . ASP 309 309 28108 3 . VAL 310 310 28108 3 . VAL 311 311 28108 3 . VAL 312 312 28108 3 . THR 313 313 28108 3 . TRP 314 314 28108 3 . THR 315 315 28108 3 . ARG 316 316 28108 3 . GLU 317 317 28108 3 . GLU 318 318 28108 3 . LEU 319 319 28108 3 . GLY 320 320 28108 3 . GLY 321 321 28108 3 . SER 322 322 28108 3 . PRO 323 323 28108 3 . ALA 324 324 28108 3 . GLN 325 325 28108 3 . VAL 326 326 28108 3 . SER 327 327 28108 3 . GLY 328 328 28108 3 . ALA 329 329 28108 3 . SER 330 330 28108 3 . PHE 331 331 28108 3 . SER 332 332 28108 3 . SER 333 333 28108 3 . LEU 334 334 28108 3 . ARG 335 335 28108 3 . GLN 336 336 28108 3 . SER 337 337 28108 3 . VAL 338 338 28108 3 . ALA 339 339 28108 3 . GLY 340 340 28108 3 . THR 341 341 28108 3 . TYR 342 342 28108 3 . SER 343 343 28108 3 . ILE 344 344 28108 3 . SER 345 345 28108 3 . SER 346 346 28108 3 . SER 347 347 28108 3 . LEU 348 348 28108 3 . THR 349 349 28108 3 . ALA 350 350 28108 3 . GLU 351 351 28108 3 . PRO 352 352 28108 3 . GLY 353 353 28108 3 . SER 354 354 28108 3 . ALA 355 355 28108 3 . GLY 356 356 28108 3 . ALA 357 357 28108 3 . THR 358 358 28108 3 . TYR 359 359 28108 3 . THR 360 360 28108 3 . CYS 361 361 28108 3 . GLN 362 362 28108 3 . VAL 363 363 28108 3 . THR 364 364 28108 3 . HIS 365 365 28108 3 . ILE 366 366 28108 3 . SER 367 367 28108 3 . LEU 368 368 28108 3 . GLU 369 369 28108 3 . GLU 370 370 28108 3 . PRO 371 371 28108 3 . LEU 372 372 28108 3 . GLY 373 373 28108 3 . ALA 374 374 28108 3 . SER 375 375 28108 3 . THR 376 376 28108 3 . GLN 377 377 28108 3 . VAL 378 378 28108 3 . VAL 379 379 28108 3 . PRO 380 380 28108 3 . PRO 381 381 28108 3 . GLU 382 382 28108 3 . ARG 383 383 28108 3 . ARG 384 384 28108 3 . LEU 385 385 28108 3 . GLU 386 386 28108 3 . GLY 387 387 28108 3 . GLY 388 388 28108 3 . LEU 389 389 28108 3 . GLU 390 390 28108 3 . VAL 391 391 28108 3 . LEU 392 392 28108 3 . PHE 393 393 28108 3 . GLN 394 394 28108 3 . GLY 395 395 28108 3 . PRO 396 396 28108 3 . GLY 397 397 28108 3 . GLY 398 398 28108 3 . GLY 399 399 28108 3 . LEU 400 400 28108 3 . ASN 401 401 28108 3 . ASP 402 402 28108 3 . ILE 403 403 28108 3 . PHE 404 404 28108 3 . GLU 405 405 28108 3 . ALA 406 406 28108 3 . GLN 407 407 28108 3 . LYS 408 408 28108 3 . ILE 409 409 28108 3 . GLU 410 410 28108 3 . TRP 411 411 28108 3 . HIS 412 412 28108 3 . GLU 413 413 28108 3 . GLY 414 414 28108 3 . GLY 415 415 28108 3 . HIS 416 416 28108 3 . HIS 417 417 28108 3 . HIS 418 418 28108 3 . HIS 419 419 28108 3 . HIS 420 420 28108 3 . HIS 421 421 28108 3 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 28108 _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 $HLA-A-02-01 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28108 1 2 2 $human_beta-2_microglobulin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28108 1 3 3 $TAPBPR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28108 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 28108 _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 $HLA-A-02-01 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET22b . . . 28108 1 2 2 $human_beta-2_microglobulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 28108 1 3 3 $TAPBPR . 'recombinant technology' 'Drosophila melanogaster' . . . Drosophila melanogaster . . . . . . pMT/V5-HisA . . . 28108 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28108 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 HLA-A*02:01 '[U-15N] ILVproS' . . 1 $HLA-A-02-01 . . 80 . . uM . . . . 28108 1 2 'human beta-2 microglobulin' 'natural abundance' . . 2 $human_beta-2_microglobulin . . 80 . . uM . . . . 28108 1 3 TAPBPR 'natural abundance' . . 3 $TAPBPR . . 80 . . uM . . . . 28108 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28108 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28108 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 28108 _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' 50 . mM 28108 1 pH 7.2 . pH 28108 1 pressure 1 . atm 28108 1 temperature 298 . K 28108 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28108 _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' . . 28108 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28108 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28108 _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 . . 28108 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28108 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 28108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 28108 _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 III HD' . 800 . . . 28108 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 28108 _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-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28108 1 2 '3D 1H-13C NOESY methyl' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28108 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 28108 _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 water 'methyl carbon' . . . . ppm 0.00 internal indirect 0.25 . . . . . 28108 1 H 1 water 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 28108 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 28108 _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-13C HMQC' . . . 28108 1 2 '3D 1H-13C NOESY methyl' . . . 28108 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 12 12 VAL HG21 H 1 0.889 . . 1 . . . . . 12 V QG2 . 28108 1 2 . 1 . 1 12 12 VAL HG22 H 1 0.889 . . 1 . . . . . 12 V QG2 . 28108 1 3 . 1 . 1 12 12 VAL HG23 H 1 0.889 . . 1 . . . . . 12 V QG2 . 28108 1 4 . 1 . 1 12 12 VAL CG2 C 13 20.490 . . 1 . . . . . 12 V CG2 . 28108 1 5 . 1 . 1 23 23 ILE HD11 H 1 0.742 . . 1 . . . . . 23 I QD1 . 28108 1 6 . 1 . 1 23 23 ILE HD12 H 1 0.742 . . 1 . . . . . 23 I QD1 . 28108 1 7 . 1 . 1 23 23 ILE HD13 H 1 0.742 . . 1 . . . . . 23 I QD1 . 28108 1 8 . 1 . 1 23 23 ILE CD1 C 13 13.864 . . 1 . . . . . 23 I CD1 . 28108 1 9 . 1 . 1 25 25 VAL HG21 H 1 0.993 . . 1 . . . . . 25 V QG2 . 28108 1 10 . 1 . 1 25 25 VAL HG22 H 1 0.993 . . 1 . . . . . 25 V QG2 . 28108 1 11 . 1 . 1 25 25 VAL HG23 H 1 0.993 . . 1 . . . . . 25 V QG2 . 28108 1 12 . 1 . 1 25 25 VAL CG2 C 13 21.728 . . 1 . . . . . 25 V CG2 . 28108 1 13 . 1 . 1 28 28 VAL HG21 H 1 0.816 . . 1 . . . . . 28 V QG2 . 28108 1 14 . 1 . 1 28 28 VAL HG22 H 1 0.816 . . 1 . . . . . 28 V QG2 . 28108 1 15 . 1 . 1 28 28 VAL HG23 H 1 0.816 . . 1 . . . . . 28 V QG2 . 28108 1 16 . 1 . 1 28 28 VAL CG2 C 13 22.329 . . 1 . . . . . 28 V CG2 . 28108 1 17 . 1 . 1 34 34 VAL HG21 H 1 0.354 . . 1 . . . . . 34 V QG2 . 28108 1 18 . 1 . 1 34 34 VAL HG22 H 1 0.354 . . 1 . . . . . 34 V QG2 . 28108 1 19 . 1 . 1 34 34 VAL HG23 H 1 0.354 . . 1 . . . . . 34 V QG2 . 28108 1 20 . 1 . 1 34 34 VAL CG2 C 13 16.987 . . 1 . . . . . 34 V CG2 . 28108 1 21 . 1 . 1 52 52 ILE HD11 H 1 0.914 . . 1 . . . . . 52 I QD1 . 28108 1 22 . 1 . 1 52 52 ILE HD12 H 1 0.914 . . 1 . . . . . 52 I QD1 . 28108 1 23 . 1 . 1 52 52 ILE HD13 H 1 0.914 . . 1 . . . . . 52 I QD1 . 28108 1 24 . 1 . 1 52 52 ILE CD1 C 13 15.739 . . 1 . . . . . 52 I CD1 . 28108 1 25 . 1 . 1 76 76 VAL HG21 H 1 0.705 . . 1 . . . . . 76 V QG2 . 28108 1 26 . 1 . 1 76 76 VAL HG22 H 1 0.705 . . 1 . . . . . 76 V QG2 . 28108 1 27 . 1 . 1 76 76 VAL HG23 H 1 0.705 . . 1 . . . . . 76 V QG2 . 28108 1 28 . 1 . 1 76 76 VAL CG2 C 13 20.722 . . 1 . . . . . 76 V CG2 . 28108 1 29 . 1 . 1 95 95 VAL HG21 H 1 1.186 . . 1 . . . . . 95 V QG2 . 28108 1 30 . 1 . 1 95 95 VAL HG22 H 1 1.186 . . 1 . . . . . 95 V QG2 . 28108 1 31 . 1 . 1 95 95 VAL HG23 H 1 1.186 . . 1 . . . . . 95 V QG2 . 28108 1 32 . 1 . 1 95 95 VAL CG2 C 13 21.731 . . 1 . . . . . 95 V CG2 . 28108 1 33 . 1 . 1 103 103 VAL HG21 H 1 0.841 . . 1 . . . . . 103 V QG2 . 28108 1 34 . 1 . 1 103 103 VAL HG22 H 1 0.841 . . 1 . . . . . 103 V QG2 . 28108 1 35 . 1 . 1 103 103 VAL HG23 H 1 0.841 . . 1 . . . . . 103 V QG2 . 28108 1 36 . 1 . 1 103 103 VAL CG2 C 13 18.938 . . 1 . . . . . 103 V CG2 . 28108 1 37 . 1 . 1 110 110 LEU HD21 H 1 0.749 . . 1 . . . . . 110 L QD2 . 28108 1 38 . 1 . 1 110 110 LEU HD22 H 1 0.749 . . 1 . . . . . 110 L QD2 . 28108 1 39 . 1 . 1 110 110 LEU HD23 H 1 0.749 . . 1 . . . . . 110 L QD2 . 28108 1 40 . 1 . 1 110 110 LEU CD2 C 13 23.329 . . 1 . . . . . 110 L CD2 . 28108 1 41 . 1 . 1 124 124 ILE HD11 H 1 0.181 . . 1 . . . . . 124 I QD1 . 28108 1 42 . 1 . 1 124 124 ILE HD12 H 1 0.181 . . 1 . . . . . 124 I QD1 . 28108 1 43 . 1 . 1 124 124 ILE HD13 H 1 0.181 . . 1 . . . . . 124 I QD1 . 28108 1 44 . 1 . 1 124 124 ILE CD1 C 13 13.520 . . 1 . . . . . 124 I CD1 . 28108 1 45 . 1 . 1 130 130 LEU HD21 H 1 0.782 . . 1 . . . . . 130 L QD2 . 28108 1 46 . 1 . 1 130 130 LEU HD22 H 1 0.782 . . 1 . . . . . 130 L QD2 . 28108 1 47 . 1 . 1 130 130 LEU HD23 H 1 0.782 . . 1 . . . . . 130 L QD2 . 28108 1 48 . 1 . 1 130 130 LEU CD2 C 13 22.685 . . 1 . . . . . 130 L CD2 . 28108 1 49 . 1 . 1 152 152 VAL HG21 H 1 0.846 . . 1 . . . . . 152 V QG2 . 28108 1 50 . 1 . 1 152 152 VAL HG22 H 1 0.846 . . 1 . . . . . 152 V QG2 . 28108 1 51 . 1 . 1 152 152 VAL HG23 H 1 0.846 . . 1 . . . . . 152 V QG2 . 28108 1 52 . 1 . 1 152 152 VAL CG2 C 13 23.524 . . 1 . . . . . 152 V CG2 . 28108 1 53 . 1 . 1 160 160 LEU HD21 H 1 0.871 . . 1 . . . . . 160 L QD2 . 28108 1 54 . 1 . 1 160 160 LEU HD22 H 1 0.871 . . 1 . . . . . 160 L QD2 . 28108 1 55 . 1 . 1 160 160 LEU HD23 H 1 0.871 . . 1 . . . . . 160 L QD2 . 28108 1 56 . 1 . 1 160 160 LEU CD2 C 13 26.647 . . 1 . . . . . 160 L CD2 . 28108 1 57 . 1 . 1 165 165 VAL HG21 H 1 1.291 . . 1 . . . . . 165 V QG2 . 28108 1 58 . 1 . 1 165 165 VAL HG22 H 1 1.291 . . 1 . . . . . 165 V QG2 . 28108 1 59 . 1 . 1 165 165 VAL HG23 H 1 1.291 . . 1 . . . . . 165 V QG2 . 28108 1 60 . 1 . 1 165 165 VAL CG2 C 13 23.793 . . 1 . . . . . 165 V CG2 . 28108 1 61 . 1 . 1 168 168 LEU HD21 H 1 0.959 . . 1 . . . . . 168 L QD2 . 28108 1 62 . 1 . 1 168 168 LEU HD22 H 1 0.959 . . 1 . . . . . 168 L QD2 . 28108 1 63 . 1 . 1 168 168 LEU HD23 H 1 0.959 . . 1 . . . . . 168 L QD2 . 28108 1 64 . 1 . 1 168 168 LEU CD2 C 13 27.731 . . 1 . . . . . 168 L CD2 . 28108 1 65 . 1 . 1 194 194 VAL HG21 H 1 0.763 . . 1 . . . . . 194 V QG2 . 28108 1 66 . 1 . 1 194 194 VAL HG22 H 1 0.763 . . 1 . . . . . 194 V QG2 . 28108 1 67 . 1 . 1 194 194 VAL HG23 H 1 0.763 . . 1 . . . . . 194 V QG2 . 28108 1 68 . 1 . 1 194 194 VAL CG2 C 13 20.941 . . 1 . . . . . 194 V CG2 . 28108 1 69 . 1 . 1 201 201 LEU HD21 H 1 0.548 . . 1 . . . . . 201 L QD2 . 28108 1 70 . 1 . 1 201 201 LEU HD22 H 1 0.548 . . 1 . . . . . 201 L QD2 . 28108 1 71 . 1 . 1 201 201 LEU HD23 H 1 0.548 . . 1 . . . . . 201 L QD2 . 28108 1 72 . 1 . 1 201 201 LEU CD2 C 13 24.091 . . 1 . . . . . 201 L CD2 . 28108 1 73 . 1 . 1 206 206 LEU HD21 H 1 1.278 . . 1 . . . . . 206 L QD2 . 28108 1 74 . 1 . 1 206 206 LEU HD22 H 1 1.278 . . 1 . . . . . 206 L QD2 . 28108 1 75 . 1 . 1 206 206 LEU HD23 H 1 1.278 . . 1 . . . . . 206 L QD2 . 28108 1 76 . 1 . 1 206 206 LEU CD2 C 13 24.231 . . 1 . . . . . 206 L CD2 . 28108 1 77 . 1 . 1 213 213 ILE HD11 H 1 -0.573 . . 1 . . . . . 213 I QD1 . 28108 1 78 . 1 . 1 213 213 ILE HD12 H 1 -0.573 . . 1 . . . . . 213 I QD1 . 28108 1 79 . 1 . 1 213 213 ILE HD13 H 1 -0.573 . . 1 . . . . . 213 I QD1 . 28108 1 80 . 1 . 1 213 213 ILE CD1 C 13 12.980 . . 1 . . . . . 213 I CD1 . 28108 1 81 . 1 . 1 215 215 LEU HD21 H 1 0.690 . . 1 . . . . . 215 L QD2 . 28108 1 82 . 1 . 1 215 215 LEU HD22 H 1 0.690 . . 1 . . . . . 215 L QD2 . 28108 1 83 . 1 . 1 215 215 LEU HD23 H 1 0.690 . . 1 . . . . . 215 L QD2 . 28108 1 84 . 1 . 1 215 215 LEU CD2 C 13 25.961 . . 1 . . . . . 215 L CD2 . 28108 1 85 . 1 . 1 230 230 LEU HD21 H 1 0.903 . . 1 . . . . . 230 L QD2 . 28108 1 86 . 1 . 1 230 230 LEU HD22 H 1 0.903 . . 1 . . . . . 230 L QD2 . 28108 1 87 . 1 . 1 230 230 LEU HD23 H 1 0.903 . . 1 . . . . . 230 L QD2 . 28108 1 88 . 1 . 1 230 230 LEU CD2 C 13 25.013 . . 1 . . . . . 230 L CD2 . 28108 1 89 . 1 . 1 231 231 VAL HG21 H 1 -0.197 . . 1 . . . . . 231 V QG2 . 28108 1 90 . 1 . 1 231 231 VAL HG22 H 1 -0.197 . . 1 . . . . . 231 V QG2 . 28108 1 91 . 1 . 1 231 231 VAL HG23 H 1 -0.197 . . 1 . . . . . 231 V QG2 . 28108 1 92 . 1 . 1 231 231 VAL CG2 C 13 15.939 . . 1 . . . . . 231 V CG2 . 28108 1 93 . 1 . 1 247 247 VAL HG21 H 1 -0.112 . . 1 . . . . . 247 V QG2 . 28108 1 94 . 1 . 1 247 247 VAL HG22 H 1 -0.112 . . 1 . . . . . 247 V QG2 . 28108 1 95 . 1 . 1 247 247 VAL HG23 H 1 -0.112 . . 1 . . . . . 247 V QG2 . 28108 1 96 . 1 . 1 247 247 VAL CG2 C 13 19.027 . . 1 . . . . . 247 V CG2 . 28108 1 97 . 1 . 1 248 248 VAL HG21 H 1 0.706 . . 1 . . . . . 248 V QG2 . 28108 1 98 . 1 . 1 248 248 VAL HG22 H 1 0.706 . . 1 . . . . . 248 V QG2 . 28108 1 99 . 1 . 1 248 248 VAL HG23 H 1 0.706 . . 1 . . . . . 248 V QG2 . 28108 1 100 . 1 . 1 248 248 VAL CG2 C 13 21.003 . . 1 . . . . . 248 V CG2 . 28108 1 101 . 1 . 1 249 249 VAL HG21 H 1 0.235 . . 1 . . . . . 249 V QG2 . 28108 1 102 . 1 . 1 249 249 VAL HG22 H 1 0.235 . . 1 . . . . . 249 V QG2 . 28108 1 103 . 1 . 1 249 249 VAL HG23 H 1 0.235 . . 1 . . . . . 249 V QG2 . 28108 1 104 . 1 . 1 249 249 VAL CG2 C 13 18.216 . . 1 . . . . . 249 V CG2 . 28108 1 105 . 1 . 1 261 261 VAL HG21 H 1 0.652 . . 1 . . . . . 261 V QG2 . 28108 1 106 . 1 . 1 261 261 VAL HG22 H 1 0.652 . . 1 . . . . . 261 V QG2 . 28108 1 107 . 1 . 1 261 261 VAL HG23 H 1 0.652 . . 1 . . . . . 261 V QG2 . 28108 1 108 . 1 . 1 261 261 VAL CG2 C 13 19.875 . . 1 . . . . . 261 V CG2 . 28108 1 109 . 1 . 1 266 266 LEU HD21 H 1 1.058 . . 1 . . . . . 266 L QD2 . 28108 1 110 . 1 . 1 266 266 LEU HD22 H 1 1.058 . . 1 . . . . . 266 L QD2 . 28108 1 111 . 1 . 1 266 266 LEU HD23 H 1 1.058 . . 1 . . . . . 266 L QD2 . 28108 1 112 . 1 . 1 266 266 LEU CD2 C 13 23.410 . . 1 . . . . . 266 L CD2 . 28108 1 113 . 1 . 1 270 270 LEU HD21 H 1 0.921 . . 1 . . . . . 270 L QD2 . 28108 1 114 . 1 . 1 270 270 LEU HD22 H 1 0.921 . . 1 . . . . . 270 L QD2 . 28108 1 115 . 1 . 1 270 270 LEU HD23 H 1 0.921 . . 1 . . . . . 270 L QD2 . 28108 1 116 . 1 . 1 270 270 LEU CD2 C 13 23.662 . . 1 . . . . . 270 L CD2 . 28108 1 117 . 1 . 1 272 272 LEU HD21 H 1 0.841 . . 1 . . . . . 272 L QD2 . 28108 1 118 . 1 . 1 272 272 LEU HD22 H 1 0.841 . . 1 . . . . . 272 L QD2 . 28108 1 119 . 1 . 1 272 272 LEU HD23 H 1 0.841 . . 1 . . . . . 272 L QD2 . 28108 1 120 . 1 . 1 272 272 LEU CD2 C 13 24.964 . . 1 . . . . . 272 L CD2 . 28108 1 stop_ save_