data_52880 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52880 _Entry.Title ; SMART A*02:01/TAX9 in complex with the A6c134 T cell receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-01-21 _Entry.Accession_date 2025-01-21 _Entry.Last_release_date 2025-01-22 _Entry.Original_release_date 2025-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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 Claire Woodward . H. . 0000-0002-0373-6318 52880 2 Nikolaos Sgourakis . G. . 0000-0003-3655-3902 52880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 207 52880 '1H chemical shifts' 207 52880 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 . . 2025-05-23 . original BMRB . 52880 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52878 'SMART A*02:01 in complex with NYESOV peptide' 52880 BMRB 52879 'SMART A*02:01 in complex with TAX9 peptide' 52880 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52880 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1073/pnas.2506016122 _Citation.Full_citation . _Citation.Title ; Solution mapping of MHC-I:TCR interactions using a minimalistic protein system ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _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 2025 _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 Claire Woodward . H. . . 52880 1 2 Apala Chaudhuri . . . . 52880 1 3 Xiaojing Chen . . . . 52880 1 4 William White . . . . 52880 1 5 K. Garcia . C. . . 52880 1 6 David Baker . . . . 52880 1 7 Nikolaos Sgourakis . G. . . 52880 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein conformational change; peptide antigen; T cell receptor; Human Leucocyte Antigen, HLA' 52880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52880 _Assembly.ID 1 _Assembly.Name 'SMART A*02:01/TAX9/A6c134' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SMART A*02:01' 1 $entity_1 . . yes native yes yes . . . 52880 1 2 TAX9 2 $entity_2 . . no native no no . . . 52880 1 3 'A6c134 a' 3 $entity_3 . . no native no no . . . 52880 1 4 'A6c134 b' 4 $entity_4 . . no native no no . . . 52880 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 171 171 SG . 1 . 1 CYS 234 234 SG . . . . . . . . . . . . 52880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52880 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DREDVERLLRSVEWAIKAGD PYSARILVELAREDAEKIGD ERLRREVEELLRELEELEEE LARLPKLPPDGSHSMKYIFT SISRPGRGEPRFIAVGYVDD TQFVRFDSDAASQRMEPRAP WIEQEGPEYWDGETRKVKAH SQTHRVDLGTLRGYYNQSEA GSHTVQRMYGCDVDENWRFV RGYHQYAYDGKDYIALKEDL RSWTAADMAAQTTKHKWEAA HVAEQLRAYLEGTCVEWLRR YLENGKETLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 250 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 52880 1 2 . ARG . 52880 1 3 . GLU . 52880 1 4 . ASP . 52880 1 5 . VAL . 52880 1 6 . GLU . 52880 1 7 . ARG . 52880 1 8 . LEU . 52880 1 9 . LEU . 52880 1 10 . ARG . 52880 1 11 . SER . 52880 1 12 . VAL . 52880 1 13 . GLU . 52880 1 14 . TRP . 52880 1 15 . ALA . 52880 1 16 . ILE . 52880 1 17 . LYS . 52880 1 18 . ALA . 52880 1 19 . GLY . 52880 1 20 . ASP . 52880 1 21 . PRO . 52880 1 22 . TYR . 52880 1 23 . SER . 52880 1 24 . ALA . 52880 1 25 . ARG . 52880 1 26 . ILE . 52880 1 27 . LEU . 52880 1 28 . VAL . 52880 1 29 . GLU . 52880 1 30 . LEU . 52880 1 31 . ALA . 52880 1 32 . ARG . 52880 1 33 . GLU . 52880 1 34 . ASP . 52880 1 35 . ALA . 52880 1 36 . GLU . 52880 1 37 . LYS . 52880 1 38 . ILE . 52880 1 39 . GLY . 52880 1 40 . ASP . 52880 1 41 . GLU . 52880 1 42 . ARG . 52880 1 43 . LEU . 52880 1 44 . ARG . 52880 1 45 . ARG . 52880 1 46 . GLU . 52880 1 47 . VAL . 52880 1 48 . GLU . 52880 1 49 . GLU . 52880 1 50 . LEU . 52880 1 51 . LEU . 52880 1 52 . ARG . 52880 1 53 . GLU . 52880 1 54 . LEU . 52880 1 55 . GLU . 52880 1 56 . GLU . 52880 1 57 . LEU . 52880 1 58 . GLU . 52880 1 59 . GLU . 52880 1 60 . GLU . 52880 1 61 . LEU . 52880 1 62 . ALA . 52880 1 63 . ARG . 52880 1 64 . LEU . 52880 1 65 . PRO . 52880 1 66 . LYS . 52880 1 67 . LEU . 52880 1 68 . PRO . 52880 1 69 . PRO . 52880 1 70 . ASP . 52880 1 71 . GLY . 52880 1 72 . SER . 52880 1 73 . HIS . 52880 1 74 . SER . 52880 1 75 . MET . 52880 1 76 . LYS . 52880 1 77 . TYR . 52880 1 78 . ILE . 52880 1 79 . PHE . 52880 1 80 . THR . 52880 1 81 . SER . 52880 1 82 . ILE . 52880 1 83 . SER . 52880 1 84 . ARG . 52880 1 85 . PRO . 52880 1 86 . GLY . 52880 1 87 . ARG . 52880 1 88 . GLY . 52880 1 89 . GLU . 52880 1 90 . PRO . 52880 1 91 . ARG . 52880 1 92 . PHE . 52880 1 93 . ILE . 52880 1 94 . ALA . 52880 1 95 . VAL . 52880 1 96 . GLY . 52880 1 97 . TYR . 52880 1 98 . VAL . 52880 1 99 . ASP . 52880 1 100 . ASP . 52880 1 101 . THR . 52880 1 102 . GLN . 52880 1 103 . PHE . 52880 1 104 . VAL . 52880 1 105 . ARG . 52880 1 106 . PHE . 52880 1 107 . ASP . 52880 1 108 . SER . 52880 1 109 . ASP . 52880 1 110 . ALA . 52880 1 111 . ALA . 52880 1 112 . SER . 52880 1 113 . GLN . 52880 1 114 . ARG . 52880 1 115 . MET . 52880 1 116 . GLU . 52880 1 117 . PRO . 52880 1 118 . ARG . 52880 1 119 . ALA . 52880 1 120 . PRO . 52880 1 121 . TRP . 52880 1 122 . ILE . 52880 1 123 . GLU . 52880 1 124 . GLN . 52880 1 125 . GLU . 52880 1 126 . GLY . 52880 1 127 . PRO . 52880 1 128 . GLU . 52880 1 129 . TYR . 52880 1 130 . TRP . 52880 1 131 . ASP . 52880 1 132 . GLY . 52880 1 133 . GLU . 52880 1 134 . THR . 52880 1 135 . ARG . 52880 1 136 . LYS . 52880 1 137 . VAL . 52880 1 138 . LYS . 52880 1 139 . ALA . 52880 1 140 . HIS . 52880 1 141 . SER . 52880 1 142 . GLN . 52880 1 143 . THR . 52880 1 144 . HIS . 52880 1 145 . ARG . 52880 1 146 . VAL . 52880 1 147 . ASP . 52880 1 148 . LEU . 52880 1 149 . GLY . 52880 1 150 . THR . 52880 1 151 . LEU . 52880 1 152 . ARG . 52880 1 153 . GLY . 52880 1 154 . TYR . 52880 1 155 . TYR . 52880 1 156 . ASN . 52880 1 157 . GLN . 52880 1 158 . SER . 52880 1 159 . GLU . 52880 1 160 . ALA . 52880 1 161 . GLY . 52880 1 162 . SER . 52880 1 163 . HIS . 52880 1 164 . THR . 52880 1 165 . VAL . 52880 1 166 . GLN . 52880 1 167 . ARG . 52880 1 168 . MET . 52880 1 169 . TYR . 52880 1 170 . GLY . 52880 1 171 . CYS . 52880 1 172 . ASP . 52880 1 173 . VAL . 52880 1 174 . ASP . 52880 1 175 . GLU . 52880 1 176 . ASN . 52880 1 177 . TRP . 52880 1 178 . ARG . 52880 1 179 . PHE . 52880 1 180 . VAL . 52880 1 181 . ARG . 52880 1 182 . GLY . 52880 1 183 . TYR . 52880 1 184 . HIS . 52880 1 185 . GLN . 52880 1 186 . TYR . 52880 1 187 . ALA . 52880 1 188 . TYR . 52880 1 189 . ASP . 52880 1 190 . GLY . 52880 1 191 . LYS . 52880 1 192 . ASP . 52880 1 193 . TYR . 52880 1 194 . ILE . 52880 1 195 . ALA . 52880 1 196 . LEU . 52880 1 197 . LYS . 52880 1 198 . GLU . 52880 1 199 . ASP . 52880 1 200 . LEU . 52880 1 201 . ARG . 52880 1 202 . SER . 52880 1 203 . TRP . 52880 1 204 . THR . 52880 1 205 . ALA . 52880 1 206 . ALA . 52880 1 207 . ASP . 52880 1 208 . MET . 52880 1 209 . ALA . 52880 1 210 . ALA . 52880 1 211 . GLN . 52880 1 212 . THR . 52880 1 213 . THR . 52880 1 214 . LYS . 52880 1 215 . HIS . 52880 1 216 . LYS . 52880 1 217 . TRP . 52880 1 218 . GLU . 52880 1 219 . ALA . 52880 1 220 . ALA . 52880 1 221 . HIS . 52880 1 222 . VAL . 52880 1 223 . ALA . 52880 1 224 . GLU . 52880 1 225 . GLN . 52880 1 226 . LEU . 52880 1 227 . ARG . 52880 1 228 . ALA . 52880 1 229 . TYR . 52880 1 230 . LEU . 52880 1 231 . GLU . 52880 1 232 . GLY . 52880 1 233 . THR . 52880 1 234 . CYS . 52880 1 235 . VAL . 52880 1 236 . GLU . 52880 1 237 . TRP . 52880 1 238 . LEU . 52880 1 239 . ARG . 52880 1 240 . ARG . 52880 1 241 . TYR . 52880 1 242 . LEU . 52880 1 243 . GLU . 52880 1 244 . ASN . 52880 1 245 . GLY . 52880 1 246 . LYS . 52880 1 247 . GLU . 52880 1 248 . THR . 52880 1 249 . LEU . 52880 1 250 . GLN . 52880 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 . ASP 1 1 52880 1 . ARG 2 2 52880 1 . GLU 3 3 52880 1 . ASP 4 4 52880 1 . VAL 5 5 52880 1 . GLU 6 6 52880 1 . ARG 7 7 52880 1 . LEU 8 8 52880 1 . LEU 9 9 52880 1 . ARG 10 10 52880 1 . SER 11 11 52880 1 . VAL 12 12 52880 1 . GLU 13 13 52880 1 . TRP 14 14 52880 1 . ALA 15 15 52880 1 . ILE 16 16 52880 1 . LYS 17 17 52880 1 . ALA 18 18 52880 1 . GLY 19 19 52880 1 . ASP 20 20 52880 1 . PRO 21 21 52880 1 . TYR 22 22 52880 1 . SER 23 23 52880 1 . ALA 24 24 52880 1 . ARG 25 25 52880 1 . ILE 26 26 52880 1 . LEU 27 27 52880 1 . VAL 28 28 52880 1 . GLU 29 29 52880 1 . LEU 30 30 52880 1 . ALA 31 31 52880 1 . ARG 32 32 52880 1 . GLU 33 33 52880 1 . ASP 34 34 52880 1 . ALA 35 35 52880 1 . GLU 36 36 52880 1 . LYS 37 37 52880 1 . ILE 38 38 52880 1 . GLY 39 39 52880 1 . ASP 40 40 52880 1 . GLU 41 41 52880 1 . ARG 42 42 52880 1 . LEU 43 43 52880 1 . ARG 44 44 52880 1 . ARG 45 45 52880 1 . GLU 46 46 52880 1 . VAL 47 47 52880 1 . GLU 48 48 52880 1 . GLU 49 49 52880 1 . LEU 50 50 52880 1 . LEU 51 51 52880 1 . ARG 52 52 52880 1 . GLU 53 53 52880 1 . LEU 54 54 52880 1 . GLU 55 55 52880 1 . GLU 56 56 52880 1 . LEU 57 57 52880 1 . GLU 58 58 52880 1 . GLU 59 59 52880 1 . GLU 60 60 52880 1 . LEU 61 61 52880 1 . ALA 62 62 52880 1 . ARG 63 63 52880 1 . LEU 64 64 52880 1 . PRO 65 65 52880 1 . LYS 66 66 52880 1 . LEU 67 67 52880 1 . PRO 68 68 52880 1 . PRO 69 69 52880 1 . ASP 70 70 52880 1 . GLY 71 71 52880 1 . SER 72 72 52880 1 . HIS 73 73 52880 1 . SER 74 74 52880 1 . MET 75 75 52880 1 . LYS 76 76 52880 1 . TYR 77 77 52880 1 . ILE 78 78 52880 1 . PHE 79 79 52880 1 . THR 80 80 52880 1 . SER 81 81 52880 1 . ILE 82 82 52880 1 . SER 83 83 52880 1 . ARG 84 84 52880 1 . PRO 85 85 52880 1 . GLY 86 86 52880 1 . ARG 87 87 52880 1 . GLY 88 88 52880 1 . GLU 89 89 52880 1 . PRO 90 90 52880 1 . ARG 91 91 52880 1 . PHE 92 92 52880 1 . ILE 93 93 52880 1 . ALA 94 94 52880 1 . VAL 95 95 52880 1 . GLY 96 96 52880 1 . TYR 97 97 52880 1 . VAL 98 98 52880 1 . ASP 99 99 52880 1 . ASP 100 100 52880 1 . THR 101 101 52880 1 . GLN 102 102 52880 1 . PHE 103 103 52880 1 . VAL 104 104 52880 1 . ARG 105 105 52880 1 . PHE 106 106 52880 1 . ASP 107 107 52880 1 . SER 108 108 52880 1 . ASP 109 109 52880 1 . ALA 110 110 52880 1 . ALA 111 111 52880 1 . SER 112 112 52880 1 . GLN 113 113 52880 1 . ARG 114 114 52880 1 . MET 115 115 52880 1 . GLU 116 116 52880 1 . PRO 117 117 52880 1 . ARG 118 118 52880 1 . ALA 119 119 52880 1 . PRO 120 120 52880 1 . TRP 121 121 52880 1 . ILE 122 122 52880 1 . GLU 123 123 52880 1 . GLN 124 124 52880 1 . GLU 125 125 52880 1 . GLY 126 126 52880 1 . PRO 127 127 52880 1 . GLU 128 128 52880 1 . TYR 129 129 52880 1 . TRP 130 130 52880 1 . ASP 131 131 52880 1 . GLY 132 132 52880 1 . GLU 133 133 52880 1 . THR 134 134 52880 1 . ARG 135 135 52880 1 . LYS 136 136 52880 1 . VAL 137 137 52880 1 . LYS 138 138 52880 1 . ALA 139 139 52880 1 . HIS 140 140 52880 1 . SER 141 141 52880 1 . GLN 142 142 52880 1 . THR 143 143 52880 1 . HIS 144 144 52880 1 . ARG 145 145 52880 1 . VAL 146 146 52880 1 . ASP 147 147 52880 1 . LEU 148 148 52880 1 . GLY 149 149 52880 1 . THR 150 150 52880 1 . LEU 151 151 52880 1 . ARG 152 152 52880 1 . GLY 153 153 52880 1 . TYR 154 154 52880 1 . TYR 155 155 52880 1 . ASN 156 156 52880 1 . GLN 157 157 52880 1 . SER 158 158 52880 1 . GLU 159 159 52880 1 . ALA 160 160 52880 1 . GLY 161 161 52880 1 . SER 162 162 52880 1 . HIS 163 163 52880 1 . THR 164 164 52880 1 . VAL 165 165 52880 1 . GLN 166 166 52880 1 . ARG 167 167 52880 1 . MET 168 168 52880 1 . TYR 169 169 52880 1 . GLY 170 170 52880 1 . CYS 171 171 52880 1 . ASP 172 172 52880 1 . VAL 173 173 52880 1 . ASP 174 174 52880 1 . GLU 175 175 52880 1 . ASN 176 176 52880 1 . TRP 177 177 52880 1 . ARG 178 178 52880 1 . PHE 179 179 52880 1 . VAL 180 180 52880 1 . ARG 181 181 52880 1 . GLY 182 182 52880 1 . TYR 183 183 52880 1 . HIS 184 184 52880 1 . GLN 185 185 52880 1 . TYR 186 186 52880 1 . ALA 187 187 52880 1 . TYR 188 188 52880 1 . ASP 189 189 52880 1 . GLY 190 190 52880 1 . LYS 191 191 52880 1 . ASP 192 192 52880 1 . TYR 193 193 52880 1 . ILE 194 194 52880 1 . ALA 195 195 52880 1 . LEU 196 196 52880 1 . LYS 197 197 52880 1 . GLU 198 198 52880 1 . ASP 199 199 52880 1 . LEU 200 200 52880 1 . ARG 201 201 52880 1 . SER 202 202 52880 1 . TRP 203 203 52880 1 . THR 204 204 52880 1 . ALA 205 205 52880 1 . ALA 206 206 52880 1 . ASP 207 207 52880 1 . MET 208 208 52880 1 . ALA 209 209 52880 1 . ALA 210 210 52880 1 . GLN 211 211 52880 1 . THR 212 212 52880 1 . THR 213 213 52880 1 . LYS 214 214 52880 1 . HIS 215 215 52880 1 . LYS 216 216 52880 1 . TRP 217 217 52880 1 . GLU 218 218 52880 1 . ALA 219 219 52880 1 . ALA 220 220 52880 1 . HIS 221 221 52880 1 . VAL 222 222 52880 1 . ALA 223 223 52880 1 . GLU 224 224 52880 1 . GLN 225 225 52880 1 . LEU 226 226 52880 1 . ARG 227 227 52880 1 . ALA 228 228 52880 1 . TYR 229 229 52880 1 . LEU 230 230 52880 1 . GLU 231 231 52880 1 . GLY 232 232 52880 1 . THR 233 233 52880 1 . CYS 234 234 52880 1 . VAL 235 235 52880 1 . GLU 236 236 52880 1 . TRP 237 237 52880 1 . LEU 238 238 52880 1 . ARG 239 239 52880 1 . ARG 240 240 52880 1 . TYR 241 241 52880 1 . LEU 242 242 52880 1 . GLU 243 243 52880 1 . ASN 244 244 52880 1 . GLY 245 245 52880 1 . LYS 246 246 52880 1 . GLU 247 247 52880 1 . THR 248 248 52880 1 . LEU 249 249 52880 1 . GLN 250 250 52880 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52880 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; LLFGYPVYV ; _Entity.Polymer_seq_one_letter_code ; LLFGYPVYV ; _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 52880 2 2 . LEU . 52880 2 3 . PHE . 52880 2 4 . GLY . 52880 2 5 . TYR . 52880 2 6 . PRO . 52880 2 7 . VAL . 52880 2 8 . TYR . 52880 2 9 . VAL . 52880 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 . LEU 1 1 52880 2 . LEU 2 2 52880 2 . PHE 3 3 52880 2 . GLY 4 4 52880 2 . TYR 5 5 52880 2 . PRO 6 6 52880 2 . VAL 7 7 52880 2 . TYR 8 8 52880 2 . VAL 9 9 52880 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 52880 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KEVEQNSGPLSVPEGAIASL NCTYSDRGSQSFFWYRQYSG KSPELIMSIYSNGDKEDGRF TAQLNKASQYVSLLIRDSQP SDSATYLCAVTTDSWGKLQF GAGTQVVVTPDIQNPDPAVY QLRDSKSSDKSVCLFTDFDS QTNVSQSKDSDVYITDKTVL DMRSMDFKSNSAVAWSNKSD FACANAFNNSIIPEDTFFPS ; _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 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 52880 3 2 . GLU . 52880 3 3 . VAL . 52880 3 4 . GLU . 52880 3 5 . GLN . 52880 3 6 . ASN . 52880 3 7 . SER . 52880 3 8 . GLY . 52880 3 9 . PRO . 52880 3 10 . LEU . 52880 3 11 . SER . 52880 3 12 . VAL . 52880 3 13 . PRO . 52880 3 14 . GLU . 52880 3 15 . GLY . 52880 3 16 . ALA . 52880 3 17 . ILE . 52880 3 18 . ALA . 52880 3 19 . SER . 52880 3 20 . LEU . 52880 3 21 . ASN . 52880 3 22 . CYS . 52880 3 23 . THR . 52880 3 24 . TYR . 52880 3 25 . SER . 52880 3 26 . ASP . 52880 3 27 . ARG . 52880 3 28 . GLY . 52880 3 29 . SER . 52880 3 30 . GLN . 52880 3 31 . SER . 52880 3 32 . PHE . 52880 3 33 . PHE . 52880 3 34 . TRP . 52880 3 35 . TYR . 52880 3 36 . ARG . 52880 3 37 . GLN . 52880 3 38 . TYR . 52880 3 39 . SER . 52880 3 40 . GLY . 52880 3 41 . LYS . 52880 3 42 . SER . 52880 3 43 . PRO . 52880 3 44 . GLU . 52880 3 45 . LEU . 52880 3 46 . ILE . 52880 3 47 . MET . 52880 3 48 . SER . 52880 3 49 . ILE . 52880 3 50 . TYR . 52880 3 51 . SER . 52880 3 52 . ASN . 52880 3 53 . GLY . 52880 3 54 . ASP . 52880 3 55 . LYS . 52880 3 56 . GLU . 52880 3 57 . ASP . 52880 3 58 . GLY . 52880 3 59 . ARG . 52880 3 60 . PHE . 52880 3 61 . THR . 52880 3 62 . ALA . 52880 3 63 . GLN . 52880 3 64 . LEU . 52880 3 65 . ASN . 52880 3 66 . LYS . 52880 3 67 . ALA . 52880 3 68 . SER . 52880 3 69 . GLN . 52880 3 70 . TYR . 52880 3 71 . VAL . 52880 3 72 . SER . 52880 3 73 . LEU . 52880 3 74 . LEU . 52880 3 75 . ILE . 52880 3 76 . ARG . 52880 3 77 . ASP . 52880 3 78 . SER . 52880 3 79 . GLN . 52880 3 80 . PRO . 52880 3 81 . SER . 52880 3 82 . ASP . 52880 3 83 . SER . 52880 3 84 . ALA . 52880 3 85 . THR . 52880 3 86 . TYR . 52880 3 87 . LEU . 52880 3 88 . CYS . 52880 3 89 . ALA . 52880 3 90 . VAL . 52880 3 91 . THR . 52880 3 92 . THR . 52880 3 93 . ASP . 52880 3 94 . SER . 52880 3 95 . TRP . 52880 3 96 . GLY . 52880 3 97 . LYS . 52880 3 98 . LEU . 52880 3 99 . GLN . 52880 3 100 . PHE . 52880 3 101 . GLY . 52880 3 102 . ALA . 52880 3 103 . GLY . 52880 3 104 . THR . 52880 3 105 . GLN . 52880 3 106 . VAL . 52880 3 107 . VAL . 52880 3 108 . VAL . 52880 3 109 . THR . 52880 3 110 . PRO . 52880 3 111 . ASP . 52880 3 112 . ILE . 52880 3 113 . GLN . 52880 3 114 . ASN . 52880 3 115 . PRO . 52880 3 116 . ASP . 52880 3 117 . PRO . 52880 3 118 . ALA . 52880 3 119 . VAL . 52880 3 120 . TYR . 52880 3 121 . GLN . 52880 3 122 . LEU . 52880 3 123 . ARG . 52880 3 124 . ASP . 52880 3 125 . SER . 52880 3 126 . LYS . 52880 3 127 . SER . 52880 3 128 . SER . 52880 3 129 . ASP . 52880 3 130 . LYS . 52880 3 131 . SER . 52880 3 132 . VAL . 52880 3 133 . CYS . 52880 3 134 . LEU . 52880 3 135 . PHE . 52880 3 136 . THR . 52880 3 137 . ASP . 52880 3 138 . PHE . 52880 3 139 . ASP . 52880 3 140 . SER . 52880 3 141 . GLN . 52880 3 142 . THR . 52880 3 143 . ASN . 52880 3 144 . VAL . 52880 3 145 . SER . 52880 3 146 . GLN . 52880 3 147 . SER . 52880 3 148 . LYS . 52880 3 149 . ASP . 52880 3 150 . SER . 52880 3 151 . ASP . 52880 3 152 . VAL . 52880 3 153 . TYR . 52880 3 154 . ILE . 52880 3 155 . THR . 52880 3 156 . ASP . 52880 3 157 . LYS . 52880 3 158 . THR . 52880 3 159 . VAL . 52880 3 160 . LEU . 52880 3 161 . ASP . 52880 3 162 . MET . 52880 3 163 . ARG . 52880 3 164 . SER . 52880 3 165 . MET . 52880 3 166 . ASP . 52880 3 167 . PHE . 52880 3 168 . LYS . 52880 3 169 . SER . 52880 3 170 . ASN . 52880 3 171 . SER . 52880 3 172 . ALA . 52880 3 173 . VAL . 52880 3 174 . ALA . 52880 3 175 . TRP . 52880 3 176 . SER . 52880 3 177 . ASN . 52880 3 178 . LYS . 52880 3 179 . SER . 52880 3 180 . ASP . 52880 3 181 . PHE . 52880 3 182 . ALA . 52880 3 183 . CYS . 52880 3 184 . ALA . 52880 3 185 . ASN . 52880 3 186 . ALA . 52880 3 187 . PHE . 52880 3 188 . ASN . 52880 3 189 . ASN . 52880 3 190 . SER . 52880 3 191 . ILE . 52880 3 192 . ILE . 52880 3 193 . PRO . 52880 3 194 . GLU . 52880 3 195 . ASP . 52880 3 196 . THR . 52880 3 197 . PHE . 52880 3 198 . PHE . 52880 3 199 . PRO . 52880 3 200 . SER . 52880 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 52880 3 . GLU 2 2 52880 3 . VAL 3 3 52880 3 . GLU 4 4 52880 3 . GLN 5 5 52880 3 . ASN 6 6 52880 3 . SER 7 7 52880 3 . GLY 8 8 52880 3 . PRO 9 9 52880 3 . LEU 10 10 52880 3 . SER 11 11 52880 3 . VAL 12 12 52880 3 . PRO 13 13 52880 3 . GLU 14 14 52880 3 . GLY 15 15 52880 3 . ALA 16 16 52880 3 . ILE 17 17 52880 3 . ALA 18 18 52880 3 . SER 19 19 52880 3 . LEU 20 20 52880 3 . ASN 21 21 52880 3 . CYS 22 22 52880 3 . THR 23 23 52880 3 . TYR 24 24 52880 3 . SER 25 25 52880 3 . ASP 26 26 52880 3 . ARG 27 27 52880 3 . GLY 28 28 52880 3 . SER 29 29 52880 3 . GLN 30 30 52880 3 . SER 31 31 52880 3 . PHE 32 32 52880 3 . PHE 33 33 52880 3 . TRP 34 34 52880 3 . TYR 35 35 52880 3 . ARG 36 36 52880 3 . GLN 37 37 52880 3 . TYR 38 38 52880 3 . SER 39 39 52880 3 . GLY 40 40 52880 3 . LYS 41 41 52880 3 . SER 42 42 52880 3 . PRO 43 43 52880 3 . GLU 44 44 52880 3 . LEU 45 45 52880 3 . ILE 46 46 52880 3 . MET 47 47 52880 3 . SER 48 48 52880 3 . ILE 49 49 52880 3 . TYR 50 50 52880 3 . SER 51 51 52880 3 . ASN 52 52 52880 3 . GLY 53 53 52880 3 . ASP 54 54 52880 3 . LYS 55 55 52880 3 . GLU 56 56 52880 3 . ASP 57 57 52880 3 . GLY 58 58 52880 3 . ARG 59 59 52880 3 . PHE 60 60 52880 3 . THR 61 61 52880 3 . ALA 62 62 52880 3 . GLN 63 63 52880 3 . LEU 64 64 52880 3 . ASN 65 65 52880 3 . LYS 66 66 52880 3 . ALA 67 67 52880 3 . SER 68 68 52880 3 . GLN 69 69 52880 3 . TYR 70 70 52880 3 . VAL 71 71 52880 3 . SER 72 72 52880 3 . LEU 73 73 52880 3 . LEU 74 74 52880 3 . ILE 75 75 52880 3 . ARG 76 76 52880 3 . ASP 77 77 52880 3 . SER 78 78 52880 3 . GLN 79 79 52880 3 . PRO 80 80 52880 3 . SER 81 81 52880 3 . ASP 82 82 52880 3 . SER 83 83 52880 3 . ALA 84 84 52880 3 . THR 85 85 52880 3 . TYR 86 86 52880 3 . LEU 87 87 52880 3 . CYS 88 88 52880 3 . ALA 89 89 52880 3 . VAL 90 90 52880 3 . THR 91 91 52880 3 . THR 92 92 52880 3 . ASP 93 93 52880 3 . SER 94 94 52880 3 . TRP 95 95 52880 3 . GLY 96 96 52880 3 . LYS 97 97 52880 3 . LEU 98 98 52880 3 . GLN 99 99 52880 3 . PHE 100 100 52880 3 . GLY 101 101 52880 3 . ALA 102 102 52880 3 . GLY 103 103 52880 3 . THR 104 104 52880 3 . GLN 105 105 52880 3 . VAL 106 106 52880 3 . VAL 107 107 52880 3 . VAL 108 108 52880 3 . THR 109 109 52880 3 . PRO 110 110 52880 3 . ASP 111 111 52880 3 . ILE 112 112 52880 3 . GLN 113 113 52880 3 . ASN 114 114 52880 3 . PRO 115 115 52880 3 . ASP 116 116 52880 3 . PRO 117 117 52880 3 . ALA 118 118 52880 3 . VAL 119 119 52880 3 . TYR 120 120 52880 3 . GLN 121 121 52880 3 . LEU 122 122 52880 3 . ARG 123 123 52880 3 . ASP 124 124 52880 3 . SER 125 125 52880 3 . LYS 126 126 52880 3 . SER 127 127 52880 3 . SER 128 128 52880 3 . ASP 129 129 52880 3 . LYS 130 130 52880 3 . SER 131 131 52880 3 . VAL 132 132 52880 3 . CYS 133 133 52880 3 . LEU 134 134 52880 3 . PHE 135 135 52880 3 . THR 136 136 52880 3 . ASP 137 137 52880 3 . PHE 138 138 52880 3 . ASP 139 139 52880 3 . SER 140 140 52880 3 . GLN 141 141 52880 3 . THR 142 142 52880 3 . ASN 143 143 52880 3 . VAL 144 144 52880 3 . SER 145 145 52880 3 . GLN 146 146 52880 3 . SER 147 147 52880 3 . LYS 148 148 52880 3 . ASP 149 149 52880 3 . SER 150 150 52880 3 . ASP 151 151 52880 3 . VAL 152 152 52880 3 . TYR 153 153 52880 3 . ILE 154 154 52880 3 . THR 155 155 52880 3 . ASP 156 156 52880 3 . LYS 157 157 52880 3 . THR 158 158 52880 3 . VAL 159 159 52880 3 . LEU 160 160 52880 3 . ASP 161 161 52880 3 . MET 162 162 52880 3 . ARG 163 163 52880 3 . SER 164 164 52880 3 . MET 165 165 52880 3 . ASP 166 166 52880 3 . PHE 167 167 52880 3 . LYS 168 168 52880 3 . SER 169 169 52880 3 . ASN 170 170 52880 3 . SER 171 171 52880 3 . ALA 172 172 52880 3 . VAL 173 173 52880 3 . ALA 174 174 52880 3 . TRP 175 175 52880 3 . SER 176 176 52880 3 . ASN 177 177 52880 3 . LYS 178 178 52880 3 . SER 179 179 52880 3 . ASP 180 180 52880 3 . PHE 181 181 52880 3 . ALA 182 182 52880 3 . CYS 183 183 52880 3 . ALA 184 184 52880 3 . ASN 185 185 52880 3 . ALA 186 186 52880 3 . PHE 187 187 52880 3 . ASN 188 188 52880 3 . ASN 189 189 52880 3 . SER 190 190 52880 3 . ILE 191 191 52880 3 . ILE 192 192 52880 3 . PRO 193 193 52880 3 . GLU 194 194 52880 3 . ASP 195 195 52880 3 . THR 196 196 52880 3 . PHE 197 197 52880 3 . PHE 198 198 52880 3 . PRO 199 199 52880 3 . SER 200 200 52880 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 52880 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NAGVTQTPKFQVLKTGQSMT LQCAQDMNHEYMSWYRQDPG MGLRLIHYSVGAGITDQGEV PNGYNVSRSTTEDFPLRLLS AAPSQTSVYFCASRPGLMSA QPEQYFGPGTRLTVTEDLKN VFPPEVAVFEPSEAEISHTQ KATLVCLATGFYPDHVELSW WVNGKEVHSGVSTDPQPLKE QPALNDSRYALSSRLRVSAT FWQDPRNHFRCQVQFYGLSE NDEWTQDRAKPVTQIVSAEA WGRAD ; _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 245 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASN . 52880 4 2 . ALA . 52880 4 3 . GLY . 52880 4 4 . VAL . 52880 4 5 . THR . 52880 4 6 . GLN . 52880 4 7 . THR . 52880 4 8 . PRO . 52880 4 9 . LYS . 52880 4 10 . PHE . 52880 4 11 . GLN . 52880 4 12 . VAL . 52880 4 13 . LEU . 52880 4 14 . LYS . 52880 4 15 . THR . 52880 4 16 . GLY . 52880 4 17 . GLN . 52880 4 18 . SER . 52880 4 19 . MET . 52880 4 20 . THR . 52880 4 21 . LEU . 52880 4 22 . GLN . 52880 4 23 . CYS . 52880 4 24 . ALA . 52880 4 25 . GLN . 52880 4 26 . ASP . 52880 4 27 . MET . 52880 4 28 . ASN . 52880 4 29 . HIS . 52880 4 30 . GLU . 52880 4 31 . TYR . 52880 4 32 . MET . 52880 4 33 . SER . 52880 4 34 . TRP . 52880 4 35 . TYR . 52880 4 36 . ARG . 52880 4 37 . GLN . 52880 4 38 . ASP . 52880 4 39 . PRO . 52880 4 40 . GLY . 52880 4 41 . MET . 52880 4 42 . GLY . 52880 4 43 . LEU . 52880 4 44 . ARG . 52880 4 45 . LEU . 52880 4 46 . ILE . 52880 4 47 . HIS . 52880 4 48 . TYR . 52880 4 49 . SER . 52880 4 50 . VAL . 52880 4 51 . GLY . 52880 4 52 . ALA . 52880 4 53 . GLY . 52880 4 54 . ILE . 52880 4 55 . THR . 52880 4 56 . ASP . 52880 4 57 . GLN . 52880 4 58 . GLY . 52880 4 59 . GLU . 52880 4 60 . VAL . 52880 4 61 . PRO . 52880 4 62 . ASN . 52880 4 63 . GLY . 52880 4 64 . TYR . 52880 4 65 . ASN . 52880 4 66 . VAL . 52880 4 67 . SER . 52880 4 68 . ARG . 52880 4 69 . SER . 52880 4 70 . THR . 52880 4 71 . THR . 52880 4 72 . GLU . 52880 4 73 . ASP . 52880 4 74 . PHE . 52880 4 75 . PRO . 52880 4 76 . LEU . 52880 4 77 . ARG . 52880 4 78 . LEU . 52880 4 79 . LEU . 52880 4 80 . SER . 52880 4 81 . ALA . 52880 4 82 . ALA . 52880 4 83 . PRO . 52880 4 84 . SER . 52880 4 85 . GLN . 52880 4 86 . THR . 52880 4 87 . SER . 52880 4 88 . VAL . 52880 4 89 . TYR . 52880 4 90 . PHE . 52880 4 91 . CYS . 52880 4 92 . ALA . 52880 4 93 . SER . 52880 4 94 . ARG . 52880 4 95 . PRO . 52880 4 96 . GLY . 52880 4 97 . LEU . 52880 4 98 . MET . 52880 4 99 . SER . 52880 4 100 . ALA . 52880 4 101 . GLN . 52880 4 102 . PRO . 52880 4 103 . GLU . 52880 4 104 . GLN . 52880 4 105 . TYR . 52880 4 106 . PHE . 52880 4 107 . GLY . 52880 4 108 . PRO . 52880 4 109 . GLY . 52880 4 110 . THR . 52880 4 111 . ARG . 52880 4 112 . LEU . 52880 4 113 . THR . 52880 4 114 . VAL . 52880 4 115 . THR . 52880 4 116 . GLU . 52880 4 117 . ASP . 52880 4 118 . LEU . 52880 4 119 . LYS . 52880 4 120 . ASN . 52880 4 121 . VAL . 52880 4 122 . PHE . 52880 4 123 . PRO . 52880 4 124 . PRO . 52880 4 125 . GLU . 52880 4 126 . VAL . 52880 4 127 . ALA . 52880 4 128 . VAL . 52880 4 129 . PHE . 52880 4 130 . GLU . 52880 4 131 . PRO . 52880 4 132 . SER . 52880 4 133 . GLU . 52880 4 134 . ALA . 52880 4 135 . GLU . 52880 4 136 . ILE . 52880 4 137 . SER . 52880 4 138 . HIS . 52880 4 139 . THR . 52880 4 140 . GLN . 52880 4 141 . LYS . 52880 4 142 . ALA . 52880 4 143 . THR . 52880 4 144 . LEU . 52880 4 145 . VAL . 52880 4 146 . CYS . 52880 4 147 . LEU . 52880 4 148 . ALA . 52880 4 149 . THR . 52880 4 150 . GLY . 52880 4 151 . PHE . 52880 4 152 . TYR . 52880 4 153 . PRO . 52880 4 154 . ASP . 52880 4 155 . HIS . 52880 4 156 . VAL . 52880 4 157 . GLU . 52880 4 158 . LEU . 52880 4 159 . SER . 52880 4 160 . TRP . 52880 4 161 . TRP . 52880 4 162 . VAL . 52880 4 163 . ASN . 52880 4 164 . GLY . 52880 4 165 . LYS . 52880 4 166 . GLU . 52880 4 167 . VAL . 52880 4 168 . HIS . 52880 4 169 . SER . 52880 4 170 . GLY . 52880 4 171 . VAL . 52880 4 172 . SER . 52880 4 173 . THR . 52880 4 174 . ASP . 52880 4 175 . PRO . 52880 4 176 . GLN . 52880 4 177 . PRO . 52880 4 178 . LEU . 52880 4 179 . LYS . 52880 4 180 . GLU . 52880 4 181 . GLN . 52880 4 182 . PRO . 52880 4 183 . ALA . 52880 4 184 . LEU . 52880 4 185 . ASN . 52880 4 186 . ASP . 52880 4 187 . SER . 52880 4 188 . ARG . 52880 4 189 . TYR . 52880 4 190 . ALA . 52880 4 191 . LEU . 52880 4 192 . SER . 52880 4 193 . SER . 52880 4 194 . ARG . 52880 4 195 . LEU . 52880 4 196 . ARG . 52880 4 197 . VAL . 52880 4 198 . SER . 52880 4 199 . ALA . 52880 4 200 . THR . 52880 4 201 . PHE . 52880 4 202 . TRP . 52880 4 203 . GLN . 52880 4 204 . ASP . 52880 4 205 . PRO . 52880 4 206 . ARG . 52880 4 207 . ASN . 52880 4 208 . HIS . 52880 4 209 . PHE . 52880 4 210 . ARG . 52880 4 211 . CYS . 52880 4 212 . GLN . 52880 4 213 . VAL . 52880 4 214 . GLN . 52880 4 215 . PHE . 52880 4 216 . TYR . 52880 4 217 . GLY . 52880 4 218 . LEU . 52880 4 219 . SER . 52880 4 220 . GLU . 52880 4 221 . ASN . 52880 4 222 . ASP . 52880 4 223 . GLU . 52880 4 224 . TRP . 52880 4 225 . THR . 52880 4 226 . GLN . 52880 4 227 . ASP . 52880 4 228 . ARG . 52880 4 229 . ALA . 52880 4 230 . LYS . 52880 4 231 . PRO . 52880 4 232 . VAL . 52880 4 233 . THR . 52880 4 234 . GLN . 52880 4 235 . ILE . 52880 4 236 . VAL . 52880 4 237 . SER . 52880 4 238 . ALA . 52880 4 239 . GLU . 52880 4 240 . ALA . 52880 4 241 . TRP . 52880 4 242 . GLY . 52880 4 243 . ARG . 52880 4 244 . ALA . 52880 4 245 . ASP . 52880 4 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASN 1 1 52880 4 . ALA 2 2 52880 4 . GLY 3 3 52880 4 . VAL 4 4 52880 4 . THR 5 5 52880 4 . GLN 6 6 52880 4 . THR 7 7 52880 4 . PRO 8 8 52880 4 . LYS 9 9 52880 4 . PHE 10 10 52880 4 . GLN 11 11 52880 4 . VAL 12 12 52880 4 . LEU 13 13 52880 4 . LYS 14 14 52880 4 . THR 15 15 52880 4 . GLY 16 16 52880 4 . GLN 17 17 52880 4 . SER 18 18 52880 4 . MET 19 19 52880 4 . THR 20 20 52880 4 . LEU 21 21 52880 4 . GLN 22 22 52880 4 . CYS 23 23 52880 4 . ALA 24 24 52880 4 . GLN 25 25 52880 4 . ASP 26 26 52880 4 . MET 27 27 52880 4 . ASN 28 28 52880 4 . HIS 29 29 52880 4 . GLU 30 30 52880 4 . TYR 31 31 52880 4 . MET 32 32 52880 4 . SER 33 33 52880 4 . TRP 34 34 52880 4 . TYR 35 35 52880 4 . ARG 36 36 52880 4 . GLN 37 37 52880 4 . ASP 38 38 52880 4 . PRO 39 39 52880 4 . GLY 40 40 52880 4 . MET 41 41 52880 4 . GLY 42 42 52880 4 . LEU 43 43 52880 4 . ARG 44 44 52880 4 . LEU 45 45 52880 4 . ILE 46 46 52880 4 . HIS 47 47 52880 4 . TYR 48 48 52880 4 . SER 49 49 52880 4 . VAL 50 50 52880 4 . GLY 51 51 52880 4 . ALA 52 52 52880 4 . GLY 53 53 52880 4 . ILE 54 54 52880 4 . THR 55 55 52880 4 . ASP 56 56 52880 4 . GLN 57 57 52880 4 . GLY 58 58 52880 4 . GLU 59 59 52880 4 . VAL 60 60 52880 4 . PRO 61 61 52880 4 . ASN 62 62 52880 4 . GLY 63 63 52880 4 . TYR 64 64 52880 4 . ASN 65 65 52880 4 . VAL 66 66 52880 4 . SER 67 67 52880 4 . ARG 68 68 52880 4 . SER 69 69 52880 4 . THR 70 70 52880 4 . THR 71 71 52880 4 . GLU 72 72 52880 4 . ASP 73 73 52880 4 . PHE 74 74 52880 4 . PRO 75 75 52880 4 . LEU 76 76 52880 4 . ARG 77 77 52880 4 . LEU 78 78 52880 4 . LEU 79 79 52880 4 . SER 80 80 52880 4 . ALA 81 81 52880 4 . ALA 82 82 52880 4 . PRO 83 83 52880 4 . SER 84 84 52880 4 . GLN 85 85 52880 4 . THR 86 86 52880 4 . SER 87 87 52880 4 . VAL 88 88 52880 4 . TYR 89 89 52880 4 . PHE 90 90 52880 4 . CYS 91 91 52880 4 . ALA 92 92 52880 4 . SER 93 93 52880 4 . ARG 94 94 52880 4 . PRO 95 95 52880 4 . GLY 96 96 52880 4 . LEU 97 97 52880 4 . MET 98 98 52880 4 . SER 99 99 52880 4 . ALA 100 100 52880 4 . GLN 101 101 52880 4 . PRO 102 102 52880 4 . GLU 103 103 52880 4 . GLN 104 104 52880 4 . TYR 105 105 52880 4 . PHE 106 106 52880 4 . GLY 107 107 52880 4 . PRO 108 108 52880 4 . GLY 109 109 52880 4 . THR 110 110 52880 4 . ARG 111 111 52880 4 . LEU 112 112 52880 4 . THR 113 113 52880 4 . VAL 114 114 52880 4 . THR 115 115 52880 4 . GLU 116 116 52880 4 . ASP 117 117 52880 4 . LEU 118 118 52880 4 . LYS 119 119 52880 4 . ASN 120 120 52880 4 . VAL 121 121 52880 4 . PHE 122 122 52880 4 . PRO 123 123 52880 4 . PRO 124 124 52880 4 . GLU 125 125 52880 4 . VAL 126 126 52880 4 . ALA 127 127 52880 4 . VAL 128 128 52880 4 . PHE 129 129 52880 4 . GLU 130 130 52880 4 . PRO 131 131 52880 4 . SER 132 132 52880 4 . GLU 133 133 52880 4 . ALA 134 134 52880 4 . GLU 135 135 52880 4 . ILE 136 136 52880 4 . SER 137 137 52880 4 . HIS 138 138 52880 4 . THR 139 139 52880 4 . GLN 140 140 52880 4 . LYS 141 141 52880 4 . ALA 142 142 52880 4 . THR 143 143 52880 4 . LEU 144 144 52880 4 . VAL 145 145 52880 4 . CYS 146 146 52880 4 . LEU 147 147 52880 4 . ALA 148 148 52880 4 . THR 149 149 52880 4 . GLY 150 150 52880 4 . PHE 151 151 52880 4 . TYR 152 152 52880 4 . PRO 153 153 52880 4 . ASP 154 154 52880 4 . HIS 155 155 52880 4 . VAL 156 156 52880 4 . GLU 157 157 52880 4 . LEU 158 158 52880 4 . SER 159 159 52880 4 . TRP 160 160 52880 4 . TRP 161 161 52880 4 . VAL 162 162 52880 4 . ASN 163 163 52880 4 . GLY 164 164 52880 4 . LYS 165 165 52880 4 . GLU 166 166 52880 4 . VAL 167 167 52880 4 . HIS 168 168 52880 4 . SER 169 169 52880 4 . GLY 170 170 52880 4 . VAL 171 171 52880 4 . SER 172 172 52880 4 . THR 173 173 52880 4 . ASP 174 174 52880 4 . PRO 175 175 52880 4 . GLN 176 176 52880 4 . PRO 177 177 52880 4 . LEU 178 178 52880 4 . LYS 179 179 52880 4 . GLU 180 180 52880 4 . GLN 181 181 52880 4 . PRO 182 182 52880 4 . ALA 183 183 52880 4 . LEU 184 184 52880 4 . ASN 185 185 52880 4 . ASP 186 186 52880 4 . SER 187 187 52880 4 . ARG 188 188 52880 4 . TYR 189 189 52880 4 . ALA 190 190 52880 4 . LEU 191 191 52880 4 . SER 192 192 52880 4 . SER 193 193 52880 4 . ARG 194 194 52880 4 . LEU 195 195 52880 4 . ARG 196 196 52880 4 . VAL 197 197 52880 4 . SER 198 198 52880 4 . ALA 199 199 52880 4 . THR 200 200 52880 4 . PHE 201 201 52880 4 . TRP 202 202 52880 4 . GLN 203 203 52880 4 . ASP 204 204 52880 4 . PRO 205 205 52880 4 . ARG 206 206 52880 4 . ASN 207 207 52880 4 . HIS 208 208 52880 4 . PHE 209 209 52880 4 . ARG 210 210 52880 4 . CYS 211 211 52880 4 . GLN 212 212 52880 4 . VAL 213 213 52880 4 . GLN 214 214 52880 4 . PHE 215 215 52880 4 . TYR 216 216 52880 4 . GLY 217 217 52880 4 . LEU 218 218 52880 4 . SER 219 219 52880 4 . GLU 220 220 52880 4 . ASN 221 221 52880 4 . ASP 222 222 52880 4 . GLU 223 223 52880 4 . TRP 224 224 52880 4 . THR 225 225 52880 4 . GLN 226 226 52880 4 . ASP 227 227 52880 4 . ARG 228 228 52880 4 . ALA 229 229 52880 4 . LYS 230 230 52880 4 . PRO 231 231 52880 4 . VAL 232 232 52880 4 . THR 233 233 52880 4 . GLN 234 234 52880 4 . ILE 235 235 52880 4 . VAL 236 236 52880 4 . SER 237 237 52880 4 . ALA 238 238 52880 4 . GLU 239 239 52880 4 . ALA 240 240 52880 4 . TRP 241 241 52880 4 . GLY 242 242 52880 4 . ARG 243 243 52880 4 . ALA 244 244 52880 4 . ASP 245 245 52880 4 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52880 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52880 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52880 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52880 1 4 4 $entity_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52880 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52880 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 52880 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 52880 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 52880 1 4 4 $entity_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 52880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52880 _Sample.ID 1 _Sample.Name ND _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SMART A*02:01' '[U-15N; U-2H]' . . 1 $entity_1 . . 200 . . uM . . . . 52880 1 2 TAX9 'natural abundance' . . 2 $entity_2 . . 500 . . uM . . . . 52880 1 3 'A6c134 alpha chain' 'natural abundance' . . 3 $entity_3 . . 200 . . uM . . . . 52880 1 4 'A6c134 beta chain' 'natural abundance' . . 4 $entity_4 . . 200 . . uM . . . . 52880 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52880 1 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52880 1 7 'sodium azide' 'natural abundance' . . . . . . ~1 . . mM . . . . 52880 1 8 'Roche protease inhibitor' 'natural abundance' . . . . . . ~0.1 . . x . . . . 52880 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 52880 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _Sample_condition_list.Details '20 mM sodium phosphate (pH 7.2), 100 mM NaCl, ~1 mM sodium azide, ~0.1x Roche protease inhibitor' 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' 100 . M 52880 1 pH 7.2 . pH 52880 1 pressure 1 . atm 52880 1 temperature 37 . C 52880 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52880 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52880 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52880 _Software.ID 2 _Software.Type . _Software.Name Poky _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52880 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52880 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52880 1 2 '3D 1H-15N NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52880 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52880 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52880 1 N 15 DSS nitrogen . . . . ppm 0 external indirect 1 . . . . . 52880 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52880 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assignments _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The following residues should have ambiguity code 5: V47, L51, R52, K66, L67, G86, G88, R105, S112, R118, A119, T143, N244. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52880 1 2 '3D 1H-15N NOESY' . . . 52880 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52880 1 2 $software_2 . . 52880 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 1 1 ASP H H 1 8.473 . . . . . . . . 1 D HN . 52880 1 2 . 1 . 1 1 1 ASP N N 15 121.065 . . . . . . . . 1 D N . 52880 1 3 . 1 . 1 2 2 ARG H H 1 8.623 . . . . . . . . 2 R HN . 52880 1 4 . 1 . 1 2 2 ARG N N 15 122.299 . . . . . . . . 2 R N . 52880 1 5 . 1 . 1 3 3 GLU H H 1 8.333 . . . . . . . . 3 E HN . 52880 1 6 . 1 . 1 3 3 GLU N N 15 118.756 . . . . . . . . 3 E N . 52880 1 7 . 1 . 1 4 4 ASP H H 1 7.637 . . . . . . . . 4 D HN . 52880 1 8 . 1 . 1 4 4 ASP N N 15 119.632 . . . . . . . . 4 D N . 52880 1 9 . 1 . 1 5 5 VAL H H 1 7.304 . . . . . . . . 5 V HN . 52880 1 10 . 1 . 1 5 5 VAL N N 15 118.279 . . . . . . . . 5 V N . 52880 1 11 . 1 . 1 6 6 GLU H H 1 8.079 . . . . . . . . 6 E HN . 52880 1 12 . 1 . 1 6 6 GLU N N 15 119.155 . . . . . . . . 6 E N . 52880 1 13 . 1 . 1 7 7 ARG H H 1 7.670 . . . . . . . . 7 R HN . 52880 1 14 . 1 . 1 7 7 ARG N N 15 117.898 . . . . . . . . 7 R N . 52880 1 15 . 1 . 1 8 8 LEU H H 1 7.659 . . . . . . . . 8 L HN . 52880 1 16 . 1 . 1 8 8 LEU N N 15 120.854 . . . . . . . . 8 L N . 52880 1 17 . 1 . 1 9 9 LEU H H 1 8.637 . . . . . . . . 9 L HN . 52880 1 18 . 1 . 1 9 9 LEU N N 15 119.819 . . . . . . . . 9 L N . 52880 1 19 . 1 . 1 10 10 ARG H H 1 8.189 . . . . . . . . 10 R HN . 52880 1 20 . 1 . 1 10 10 ARG N N 15 119.083 . . . . . . . . 10 R N . 52880 1 21 . 1 . 1 11 11 SER H H 1 7.593 . . . . . . . . 11 S HN . 52880 1 22 . 1 . 1 11 11 SER N N 15 116.597 . . . . . . . . 11 S N . 52880 1 23 . 1 . 1 12 12 VAL H H 1 8.569 . . . . . . . . 12 V HN . 52880 1 24 . 1 . 1 12 12 VAL N N 15 126.791 . . . . . . . . 12 V N . 52880 1 25 . 1 . 1 15 15 ALA H H 1 8.156 . . . . . . . . 15 A HN . 52880 1 26 . 1 . 1 15 15 ALA N N 15 121.753 . . . . . . . . 15 A N . 52880 1 27 . 1 . 1 16 16 ILE H H 1 8.356 . . . . . . . . 16 I HN . 52880 1 28 . 1 . 1 16 16 ILE N N 15 119.129 . . . . . . . . 16 I N . 52880 1 29 . 1 . 1 17 17 LYS H H 1 7.826 . . . . . . . . 17 K HN . 52880 1 30 . 1 . 1 17 17 LYS N N 15 121.744 . . . . . . . . 17 K N . 52880 1 31 . 1 . 1 18 18 ALA H H 1 7.783 . . . . . . . . 18 A HN . 52880 1 32 . 1 . 1 18 18 ALA N N 15 120.983 . . . . . . . . 18 A N . 52880 1 33 . 1 . 1 19 19 GLY H H 1 7.368 . . . . . . . . 19 G HN . 52880 1 34 . 1 . 1 19 19 GLY N N 15 104.378 . . . . . . . . 19 G N . 52880 1 35 . 1 . 1 20 20 ASP H H 1 7.715 . . . . . . . . 20 D HN . 52880 1 36 . 1 . 1 20 20 ASP N N 15 114.625 . . . . . . . . 20 D N . 52880 1 37 . 1 . 1 22 22 TYR H H 1 7.569 . . . . . . . . 22 Y HN . 52880 1 38 . 1 . 1 22 22 TYR N N 15 120.721 . . . . . . . . 22 Y N . 52880 1 39 . 1 . 1 23 23 SER H H 1 8.120 . . . . . . . . 23 S HN . 52880 1 40 . 1 . 1 23 23 SER N N 15 113.990 . . . . . . . . 23 S N . 52880 1 41 . 1 . 1 24 24 ALA H H 1 7.408 . . . . . . . . 24 A HN . 52880 1 42 . 1 . 1 24 24 ALA N N 15 122.870 . . . . . . . . 24 A N . 52880 1 43 . 1 . 1 25 25 ARG H H 1 7.610 . . . . . . . . 25 R HN . 52880 1 44 . 1 . 1 25 25 ARG N N 15 116.983 . . . . . . . . 25 R N . 52880 1 45 . 1 . 1 26 26 ILE H H 1 6.950 . . . . . . . . 26 I HN . 52880 1 46 . 1 . 1 26 26 ILE N N 15 119.777 . . . . . . . . 26 I N . 52880 1 47 . 1 . 1 27 27 LEU H H 1 8.160 . . . . . . . . 27 L HN . 52880 1 48 . 1 . 1 27 27 LEU N N 15 118.282 . . . . . . . . 27 L N . 52880 1 49 . 1 . 1 28 28 VAL H H 1 8.471 . . . . . . . . 28 V HN . 52880 1 50 . 1 . 1 28 28 VAL N N 15 120.503 . . . . . . . . 28 V N . 52880 1 51 . 1 . 1 29 29 GLU H H 1 7.847 . . . . . . . . 29 E HN . 52880 1 52 . 1 . 1 29 29 GLU N N 15 122.830 . . . . . . . . 29 E N . 52880 1 53 . 1 . 1 30 30 LEU H H 1 7.369 . . . . . . . . 30 L HN . 52880 1 54 . 1 . 1 30 30 LEU N N 15 121.110 . . . . . . . . 30 L N . 52880 1 55 . 1 . 1 31 31 ALA H H 1 7.959 . . . . . . . . 31 A HN . 52880 1 56 . 1 . 1 31 31 ALA N N 15 120.442 . . . . . . . . 31 A N . 52880 1 57 . 1 . 1 32 32 ARG H H 1 8.633 . . . . . . . . 32 R HN . 52880 1 58 . 1 . 1 32 32 ARG N N 15 118.339 . . . . . . . . 32 R N . 52880 1 59 . 1 . 1 33 33 GLU H H 1 7.628 . . . . . . . . 33 E HN . 52880 1 60 . 1 . 1 33 33 GLU N N 15 119.562 . . . . . . . . 33 E N . 52880 1 61 . 1 . 1 35 35 ALA H H 1 8.959 . . . . . . . . 35 A HN . 52880 1 62 . 1 . 1 35 35 ALA N N 15 122.592 . . . . . . . . 35 A N . 52880 1 63 . 1 . 1 36 36 GLU H H 1 8.120 . . . . . . . . 36 E HN . 52880 1 64 . 1 . 1 36 36 GLU N N 15 119.006 . . . . . . . . 36 E N . 52880 1 65 . 1 . 1 37 37 LYS H H 1 7.335 . . . . . . . . 37 K HN . 52880 1 66 . 1 . 1 37 37 LYS N N 15 118.290 . . . . . . . . 37 K N . 52880 1 67 . 1 . 1 38 38 ILE H H 1 7.569 . . . . . . . . 38 I HN . 52880 1 68 . 1 . 1 38 38 ILE N N 15 117.619 . . . . . . . . 38 I N . 52880 1 69 . 1 . 1 39 39 GLY H H 1 7.736 . . . . . . . . 39 G HN . 52880 1 70 . 1 . 1 39 39 GLY N N 15 107.126 . . . . . . . . 39 G N . 52880 1 71 . 1 . 1 40 40 ASP H H 1 7.292 . . . . . . . . 40 D HN . 52880 1 72 . 1 . 1 40 40 ASP N N 15 120.258 . . . . . . . . 40 D N . 52880 1 73 . 1 . 1 47 47 VAL H H 1 7.907 . . . . . . . . 47 V HN . 52880 1 74 . 1 . 1 47 47 VAL N N 15 119.052 . . . . . . . . 47 V N . 52880 1 75 . 1 . 1 51 51 LEU H H 1 8.384 . . . . . . . . 51 L HN . 52880 1 76 . 1 . 1 51 51 LEU N N 15 121.129 . . . . . . . . 51 L N . 52880 1 77 . 1 . 1 52 52 ARG H H 1 7.736 . . . . . . . . 52 R HN . 52880 1 78 . 1 . 1 52 52 ARG N N 15 119.255 . . . . . . . . 52 R N . 52880 1 79 . 1 . 1 55 55 GLU H H 1 8.428 . . . . . . . . 55 E HN . 52880 1 80 . 1 . 1 55 55 GLU N N 15 120.441 . . . . . . . . 55 E N . 52880 1 81 . 1 . 1 56 56 GLU H H 1 8.014 . . . . . . . . 56 E HN . 52880 1 82 . 1 . 1 56 56 GLU N N 15 120.034 . . . . . . . . 56 E N . 52880 1 83 . 1 . 1 57 57 LEU H H 1 7.794 . . . . . . . . 57 L HN . 52880 1 84 . 1 . 1 57 57 LEU N N 15 123.076 . . . . . . . . 57 L N . 52880 1 85 . 1 . 1 58 58 GLU H H 1 8.580 . . . . . . . . 58 E HN . 52880 1 86 . 1 . 1 58 58 GLU N N 15 118.131 . . . . . . . . 58 E N . 52880 1 87 . 1 . 1 59 59 GLU H H 1 7.940 . . . . . . . . 59 E HN . 52880 1 88 . 1 . 1 59 59 GLU N N 15 119.782 . . . . . . . . 59 E N . 52880 1 89 . 1 . 1 60 60 GLU H H 1 8.050 . . . . . . . . 60 E HN . 52880 1 90 . 1 . 1 60 60 GLU N N 15 121.234 . . . . . . . . 60 E N . 52880 1 91 . 1 . 1 61 61 LEU H H 1 8.390 . . . . . . . . 61 L HN . 52880 1 92 . 1 . 1 61 61 LEU N N 15 118.826 . . . . . . . . 61 L N . 52880 1 93 . 1 . 1 62 62 ALA H H 1 7.554 . . . . . . . . 62 A HN . 52880 1 94 . 1 . 1 62 62 ALA N N 15 120.101 . . . . . . . . 62 A N . 52880 1 95 . 1 . 1 63 63 ARG H H 1 7.488 . . . . . . . . 63 R HN . 52880 1 96 . 1 . 1 63 63 ARG N N 15 117.172 . . . . . . . . 63 R N . 52880 1 97 . 1 . 1 64 64 LEU H H 1 7.544 . . . . . . . . 64 L HN . 52880 1 98 . 1 . 1 64 64 LEU N N 15 122.544 . . . . . . . . 64 L N . 52880 1 99 . 1 . 1 66 66 LYS H H 1 8.700 . . . . . . . . 66 K HN . 52880 1 100 . 1 . 1 66 66 LYS N N 15 121.544 . . . . . . . . 66 K N . 52880 1 101 . 1 . 1 67 67 LEU H H 1 8.256 . . . . . . . . 67 L HN . 52880 1 102 . 1 . 1 67 67 LEU N N 15 125.382 . . . . . . . . 67 L N . 52880 1 103 . 1 . 1 70 70 ASP H H 1 8.045 . . . . . . . . 70 D HN . 52880 1 104 . 1 . 1 70 70 ASP N N 15 117.838 . . . . . . . . 70 D N . 52880 1 105 . 1 . 1 71 71 GLY H H 1 7.778 . . . . . . . . 71 G HN . 52880 1 106 . 1 . 1 71 71 GLY N N 15 108.804 . . . . . . . . 71 G N . 52880 1 107 . 1 . 1 72 72 SER H H 1 7.449 . . . . . . . . 72 S HN . 52880 1 108 . 1 . 1 72 72 SER N N 15 113.736 . . . . . . . . 72 S N . 52880 1 109 . 1 . 1 73 73 HIS H H 1 7.960 . . . . . . . . 73 H HN . 52880 1 110 . 1 . 1 73 73 HIS N N 15 113.585 . . . . . . . . 73 H N . 52880 1 111 . 1 . 1 74 74 SER H H 1 9.122 . . . . . . . . 74 S HN . 52880 1 112 . 1 . 1 74 74 SER N N 15 115.095 . . . . . . . . 74 S N . 52880 1 113 . 1 . 1 75 75 MET H H 1 9.127 . . . . . . . . 75 M HN . 52880 1 114 . 1 . 1 75 75 MET N N 15 124.711 . . . . . . . . 75 M N . 52880 1 115 . 1 . 1 76 76 LYS H H 1 9.084 . . . . . . . . 76 K HN . 52880 1 116 . 1 . 1 76 76 LYS N N 15 122.467 . . . . . . . . 76 K N . 52880 1 117 . 1 . 1 77 77 TYR H H 1 9.198 . . . . . . . . 77 Y HN . 52880 1 118 . 1 . 1 77 77 TYR N N 15 119.946 . . . . . . . . 77 Y N . 52880 1 119 . 1 . 1 78 78 ILE H H 1 8.598 . . . . . . . . 78 I HN . 52880 1 120 . 1 . 1 78 78 ILE N N 15 119.597 . . . . . . . . 78 I N . 52880 1 121 . 1 . 1 79 79 PHE H H 1 9.946 . . . . . . . . 79 F HN . 52880 1 122 . 1 . 1 79 79 PHE N N 15 128.574 . . . . . . . . 79 F N . 52880 1 123 . 1 . 1 80 80 THR H H 1 9.223 . . . . . . . . 80 T HN . 52880 1 124 . 1 . 1 80 80 THR N N 15 119.189 . . . . . . . . 80 T N . 52880 1 125 . 1 . 1 81 81 SER H H 1 9.288 . . . . . . . . 81 S HN . 52880 1 126 . 1 . 1 81 81 SER N N 15 122.184 . . . . . . . . 81 S N . 52880 1 127 . 1 . 1 82 82 ILE H H 1 8.877 . . . . . . . . 82 I HN . 52880 1 128 . 1 . 1 82 82 ILE N N 15 123.624 . . . . . . . . 82 I N . 52880 1 129 . 1 . 1 83 83 SER H H 1 9.306 . . . . . . . . 83 S HN . 52880 1 130 . 1 . 1 83 83 SER N N 15 123.801 . . . . . . . . 83 S N . 52880 1 131 . 1 . 1 84 84 ARG H H 1 8.327 . . . . . . . . 84 R HN . 52880 1 132 . 1 . 1 84 84 ARG N N 15 124.307 . . . . . . . . 84 R N . 52880 1 133 . 1 . 1 86 86 GLY H H 1 8.073 . . . . . . . . 86 G HN . 52880 1 134 . 1 . 1 86 86 GLY N N 15 110.140 . . . . . . . . 86 G N . 52880 1 135 . 1 . 1 88 88 GLY H H 1 8.098 . . . . . . . . 88 G HN . 52880 1 136 . 1 . 1 88 88 GLY N N 15 109.932 . . . . . . . . 88 G N . 52880 1 137 . 1 . 1 91 91 ARG H H 1 8.301 . . . . . . . . 91 R HN . 52880 1 138 . 1 . 1 91 91 ARG N N 15 124.261 . . . . . . . . 91 R N . 52880 1 139 . 1 . 1 92 92 PHE H H 1 9.223 . . . . . . . . 92 F HN . 52880 1 140 . 1 . 1 92 92 PHE N N 15 129.076 . . . . . . . . 92 F N . 52880 1 141 . 1 . 1 93 93 ILE H H 1 8.747 . . . . . . . . 93 I HN . 52880 1 142 . 1 . 1 93 93 ILE N N 15 126.622 . . . . . . . . 93 I N . 52880 1 143 . 1 . 1 94 94 ALA H H 1 9.351 . . . . . . . . 94 A HN . 52880 1 144 . 1 . 1 94 94 ALA N N 15 128.404 . . . . . . . . 94 A N . 52880 1 145 . 1 . 1 95 95 VAL H H 1 8.428 . . . . . . . . 95 V HN . 52880 1 146 . 1 . 1 95 95 VAL N N 15 119.668 . . . . . . . . 95 V N . 52880 1 147 . 1 . 1 96 96 GLY H H 1 7.704 . . . . . . . . 96 G HN . 52880 1 148 . 1 . 1 96 96 GLY N N 15 110.823 . . . . . . . . 96 G N . 52880 1 149 . 1 . 1 97 97 TYR H H 1 9.529 . . . . . . . . 97 Y HN . 52880 1 150 . 1 . 1 97 97 TYR N N 15 123.687 . . . . . . . . 97 Y N . 52880 1 151 . 1 . 1 98 98 VAL H H 1 8.743 . . . . . . . . 98 V HN . 52880 1 152 . 1 . 1 98 98 VAL N N 15 122.335 . . . . . . . . 98 V N . 52880 1 153 . 1 . 1 99 99 ASP H H 1 9.859 . . . . . . . . 99 D HN . 52880 1 154 . 1 . 1 99 99 ASP N N 15 130.292 . . . . . . . . 99 D N . 52880 1 155 . 1 . 1 102 102 GLN H H 1 8.983 . . . . . . . . 102 Q HN . 52880 1 156 . 1 . 1 102 102 GLN N N 15 130.994 . . . . . . . . 102 Q N . 52880 1 157 . 1 . 1 103 103 PHE H H 1 8.861 . . . . . . . . 103 F HN . 52880 1 158 . 1 . 1 103 103 PHE N N 15 122.574 . . . . . . . . 103 F N . 52880 1 159 . 1 . 1 104 104 VAL H H 1 6.567 . . . . . . . . 104 V HN . 52880 1 160 . 1 . 1 104 104 VAL N N 15 117.023 . . . . . . . . 104 V N . 52880 1 161 . 1 . 1 106 106 PHE H H 1 9.553 . . . . . . . . 106 F HN . 52880 1 162 . 1 . 1 106 106 PHE N N 15 126.221 . . . . . . . . 106 F N . 52880 1 163 . 1 . 1 107 107 ASP H H 1 7.319 . . . . . . . . 107 D HN . 52880 1 164 . 1 . 1 107 107 ASP N N 15 126.420 . . . . . . . . 107 D N . 52880 1 165 . 1 . 1 108 108 SER H H 1 9.640 . . . . . . . . 108 S HN . 52880 1 166 . 1 . 1 108 108 SER N N 15 125.003 . . . . . . . . 108 S N . 52880 1 167 . 1 . 1 109 109 ASP H H 1 8.537 . . . . . . . . 109 D HN . 52880 1 168 . 1 . 1 109 109 ASP N N 15 122.796 . . . . . . . . 109 D N . 52880 1 169 . 1 . 1 110 110 ALA H H 1 7.669 . . . . . . . . 110 A HN . 52880 1 170 . 1 . 1 110 110 ALA N N 15 123.577 . . . . . . . . 110 A N . 52880 1 171 . 1 . 1 111 111 ALA H H 1 8.280 . . . . . . . . 111 A HN . 52880 1 172 . 1 . 1 111 111 ALA N N 15 122.137 . . . . . . . . 111 A N . 52880 1 173 . 1 . 1 112 112 SER H H 1 7.908 . . . . . . . . 112 S HN . 52880 1 174 . 1 . 1 112 112 SER N N 15 111.837 . . . . . . . . 112 S N . 52880 1 175 . 1 . 1 114 114 ARG H H 1 7.735 . . . . . . . . 114 R HN . 52880 1 176 . 1 . 1 114 114 ARG N N 15 116.094 . . . . . . . . 114 R N . 52880 1 177 . 1 . 1 115 115 MET H H 1 8.153 . . . . . . . . 115 M HN . 52880 1 178 . 1 . 1 115 115 MET N N 15 121.913 . . . . . . . . 115 M N . 52880 1 179 . 1 . 1 116 116 GLU H H 1 8.931 . . . . . . . . 116 E HN . 52880 1 180 . 1 . 1 116 116 GLU N N 15 126.610 . . . . . . . . 116 E N . 52880 1 181 . 1 . 1 118 118 ARG H H 1 8.000 . . . . . . . . 118 R HN . 52880 1 182 . 1 . 1 118 118 ARG N N 15 117.223 . . . . . . . . 118 R N . 52880 1 183 . 1 . 1 119 119 ALA H H 1 6.859 . . . . . . . . 119 A HN . 52880 1 184 . 1 . 1 119 119 ALA N N 15 120.182 . . . . . . . . 119 A N . 52880 1 185 . 1 . 1 121 121 TRP H H 1 6.478 . . . . . . . . 121 W HN . 52880 1 186 . 1 . 1 121 121 TRP N N 15 110.833 . . . . . . . . 121 W N . 52880 1 187 . 1 . 1 122 122 ILE H H 1 6.818 . . . . . . . . 122 I HN . 52880 1 188 . 1 . 1 122 122 ILE N N 15 121.095 . . . . . . . . 122 I N . 52880 1 189 . 1 . 1 123 123 GLU H H 1 7.231 . . . . . . . . 123 E HN . 52880 1 190 . 1 . 1 123 123 GLU N N 15 121.094 . . . . . . . . 123 E N . 52880 1 191 . 1 . 1 124 124 GLN H H 1 7.562 . . . . . . . . 124 Q HN . 52880 1 192 . 1 . 1 124 124 GLN N N 15 113.533 . . . . . . . . 124 Q N . 52880 1 193 . 1 . 1 125 125 GLU H H 1 7.588 . . . . . . . . 125 E HN . 52880 1 194 . 1 . 1 125 125 GLU N N 15 120.709 . . . . . . . . 125 E N . 52880 1 195 . 1 . 1 126 126 GLY H H 1 8.737 . . . . . . . . 126 G HN . 52880 1 196 . 1 . 1 126 126 GLY N N 15 108.764 . . . . . . . . 126 G N . 52880 1 197 . 1 . 1 128 128 GLU H H 1 9.477 . . . . . . . . 128 E HN . 52880 1 198 . 1 . 1 128 128 GLU N N 15 118.334 . . . . . . . . 128 E N . 52880 1 199 . 1 . 1 129 129 TYR H H 1 7.897 . . . . . . . . 129 Y HN . 52880 1 200 . 1 . 1 129 129 TYR N N 15 124.572 . . . . . . . . 129 Y N . 52880 1 201 . 1 . 1 130 130 TRP H H 1 7.153 . . . . . . . . 130 W HN . 52880 1 202 . 1 . 1 130 130 TRP N N 15 121.772 . . . . . . . . 130 W N . 52880 1 203 . 1 . 1 131 131 ASP H H 1 9.048 . . . . . . . . 131 D HN . 52880 1 204 . 1 . 1 131 131 ASP N N 15 122.343 . . . . . . . . 131 D N . 52880 1 205 . 1 . 1 132 132 GLY H H 1 7.925 . . . . . . . . 132 G HN . 52880 1 206 . 1 . 1 132 132 GLY N N 15 108.841 . . . . . . . . 132 G N . 52880 1 207 . 1 . 1 133 133 GLU H H 1 8.530 . . . . . . . . 133 E HN . 52880 1 208 . 1 . 1 133 133 GLU N N 15 120.549 . . . . . . . . 133 E N . 52880 1 209 . 1 . 1 134 134 THR H H 1 8.063 . . . . . . . . 134 T HN . 52880 1 210 . 1 . 1 134 134 THR N N 15 117.950 . . . . . . . . 134 T N . 52880 1 211 . 1 . 1 135 135 ARG H H 1 7.831 . . . . . . . . 135 R HN . 52880 1 212 . 1 . 1 135 135 ARG N N 15 122.401 . . . . . . . . 135 R N . 52880 1 213 . 1 . 1 137 137 VAL H H 1 8.907 . . . . . . . . 137 V HN . 52880 1 214 . 1 . 1 137 137 VAL N N 15 126.610 . . . . . . . . 137 V N . 52880 1 215 . 1 . 1 138 138 LYS H H 1 7.736 . . . . . . . . 138 K HN . 52880 1 216 . 1 . 1 138 138 LYS N N 15 123.678 . . . . . . . . 138 K N . 52880 1 217 . 1 . 1 139 139 ALA H H 1 7.619 . . . . . . . . 139 A HN . 52880 1 218 . 1 . 1 139 139 ALA N N 15 123.728 . . . . . . . . 139 A N . 52880 1 219 . 1 . 1 140 140 HIS H H 1 7.749 . . . . . . . . 140 H HN . 52880 1 220 . 1 . 1 140 140 HIS N N 15 117.851 . . . . . . . . 140 H N . 52880 1 221 . 1 . 1 143 143 THR H H 1 7.537 . . . . . . . . 143 T HN . 52880 1 222 . 1 . 1 143 143 THR N N 15 115.697 . . . . . . . . 143 T N . 52880 1 223 . 1 . 1 146 146 VAL H H 1 7.546 . . . . . . . . 146 V HN . 52880 1 224 . 1 . 1 146 146 VAL N N 15 121.590 . . . . . . . . 146 V N . 52880 1 225 . 1 . 1 147 147 ASP H H 1 9.062 . . . . . . . . 147 D HN . 52880 1 226 . 1 . 1 147 147 ASP N N 15 122.390 . . . . . . . . 147 D N . 52880 1 227 . 1 . 1 148 148 LEU H H 1 7.896 . . . . . . . . 148 L HN . 52880 1 228 . 1 . 1 148 148 LEU N N 15 118.280 . . . . . . . . 148 L N . 52880 1 229 . 1 . 1 149 149 GLY H H 1 7.185 . . . . . . . . 149 G HN . 52880 1 230 . 1 . 1 149 149 GLY N N 15 106.083 . . . . . . . . 149 G N . 52880 1 231 . 1 . 1 150 150 THR H H 1 8.357 . . . . . . . . 150 T HN . 52880 1 232 . 1 . 1 150 150 THR N N 15 124.171 . . . . . . . . 150 T N . 52880 1 233 . 1 . 1 151 151 LEU H H 1 8.761 . . . . . . . . 151 L HN . 52880 1 234 . 1 . 1 151 151 LEU N N 15 123.145 . . . . . . . . 151 L N . 52880 1 235 . 1 . 1 152 152 ARG H H 1 6.805 . . . . . . . . 152 R HN . 52880 1 236 . 1 . 1 152 152 ARG N N 15 117.481 . . . . . . . . 152 R N . 52880 1 237 . 1 . 1 153 153 GLY H H 1 7.251 . . . . . . . . 153 G HN . 52880 1 238 . 1 . 1 153 153 GLY N N 15 105.223 . . . . . . . . 153 G N . 52880 1 239 . 1 . 1 154 154 TYR H H 1 8.379 . . . . . . . . 154 Y HN . 52880 1 240 . 1 . 1 154 154 TYR N N 15 123.105 . . . . . . . . 154 Y N . 52880 1 241 . 1 . 1 155 155 TYR H H 1 7.740 . . . . . . . . 155 Y HN . 52880 1 242 . 1 . 1 155 155 TYR N N 15 113.599 . . . . . . . . 155 Y N . 52880 1 243 . 1 . 1 156 156 ASN H H 1 7.886 . . . . . . . . 156 N HN . 52880 1 244 . 1 . 1 156 156 ASN N N 15 120.280 . . . . . . . . 156 N N . 52880 1 245 . 1 . 1 157 157 GLN H H 1 8.608 . . . . . . . . 157 Q HN . 52880 1 246 . 1 . 1 157 157 GLN N N 15 117.360 . . . . . . . . 157 Q N . 52880 1 247 . 1 . 1 160 160 ALA H H 1 8.014 . . . . . . . . 160 A HN . 52880 1 248 . 1 . 1 160 160 ALA N N 15 122.565 . . . . . . . . 160 A N . 52880 1 249 . 1 . 1 161 161 GLY H H 1 7.618 . . . . . . . . 161 G HN . 52880 1 250 . 1 . 1 161 161 GLY N N 15 106.787 . . . . . . . . 161 G N . 52880 1 251 . 1 . 1 162 162 SER H H 1 9.059 . . . . . . . . 162 S HN . 52880 1 252 . 1 . 1 162 162 SER N N 15 118.508 . . . . . . . . 162 S N . 52880 1 253 . 1 . 1 163 163 HIS H H 1 8.329 . . . . . . . . 163 H HN . 52880 1 254 . 1 . 1 163 163 HIS N N 15 119.529 . . . . . . . . 163 H N . 52880 1 255 . 1 . 1 164 164 THR H H 1 8.968 . . . . . . . . 164 T HN . 52880 1 256 . 1 . 1 164 164 THR N N 15 109.991 . . . . . . . . 164 T N . 52880 1 257 . 1 . 1 165 165 VAL H H 1 8.276 . . . . . . . . 165 V HN . 52880 1 258 . 1 . 1 165 165 VAL N N 15 117.399 . . . . . . . . 165 V N . 52880 1 259 . 1 . 1 166 166 GLN H H 1 8.118 . . . . . . . . 166 Q HN . 52880 1 260 . 1 . 1 166 166 GLN N N 15 126.072 . . . . . . . . 166 Q N . 52880 1 261 . 1 . 1 167 167 ARG H H 1 9.052 . . . . . . . . 167 R HN . 52880 1 262 . 1 . 1 167 167 ARG N N 15 121.766 . . . . . . . . 167 R N . 52880 1 263 . 1 . 1 168 168 MET H H 1 9.535 . . . . . . . . 168 M HN . 52880 1 264 . 1 . 1 168 168 MET N N 15 127.566 . . . . . . . . 168 M N . 52880 1 265 . 1 . 1 169 169 TYR H H 1 8.887 . . . . . . . . 169 Y HN . 52880 1 266 . 1 . 1 169 169 TYR N N 15 120.853 . . . . . . . . 169 Y N . 52880 1 267 . 1 . 1 170 170 GLY H H 1 7.821 . . . . . . . . 170 G HN . 52880 1 268 . 1 . 1 170 170 GLY N N 15 105.525 . . . . . . . . 170 G N . 52880 1 269 . 1 . 1 171 171 CYS H H 1 8.927 . . . . . . . . 171 C HN . 52880 1 270 . 1 . 1 171 171 CYS N N 15 109.923 . . . . . . . . 171 C N . 52880 1 271 . 1 . 1 172 172 ASP H H 1 8.661 . . . . . . . . 172 D HN . 52880 1 272 . 1 . 1 172 172 ASP N N 15 119.615 . . . . . . . . 172 D N . 52880 1 273 . 1 . 1 173 173 VAL H H 1 8.896 . . . . . . . . 173 V HN . 52880 1 274 . 1 . 1 173 173 VAL N N 15 114.248 . . . . . . . . 173 V N . 52880 1 275 . 1 . 1 174 174 ASP H H 1 8.262 . . . . . . . . 174 D HN . 52880 1 276 . 1 . 1 174 174 ASP N N 15 121.721 . . . . . . . . 174 D N . 52880 1 277 . 1 . 1 175 175 GLU H H 1 8.702 . . . . . . . . 175 E HN . 52880 1 278 . 1 . 1 175 175 GLU N N 15 116.399 . . . . . . . . 175 E N . 52880 1 279 . 1 . 1 176 176 ASN H H 1 8.082 . . . . . . . . 176 N HN . 52880 1 280 . 1 . 1 176 176 ASN N N 15 118.723 . . . . . . . . 176 N N . 52880 1 281 . 1 . 1 177 177 TRP H H 1 8.083 . . . . . . . . 177 W HN . 52880 1 282 . 1 . 1 177 177 TRP N N 15 115.061 . . . . . . . . 177 W N . 52880 1 283 . 1 . 1 178 178 ARG H H 1 8.299 . . . . . . . . 178 R HN . 52880 1 284 . 1 . 1 178 178 ARG N N 15 119.552 . . . . . . . . 178 R N . 52880 1 285 . 1 . 1 179 179 PHE H H 1 8.857 . . . . . . . . 179 F HN . 52880 1 286 . 1 . 1 179 179 PHE N N 15 123.063 . . . . . . . . 179 F N . 52880 1 287 . 1 . 1 180 180 VAL H H 1 8.428 . . . . . . . . 180 V HN . 52880 1 288 . 1 . 1 180 180 VAL N N 15 127.054 . . . . . . . . 180 V N . 52880 1 289 . 1 . 1 181 181 ARG H H 1 6.566 . . . . . . . . 181 R HN . 52880 1 290 . 1 . 1 181 181 ARG N N 15 114.801 . . . . . . . . 181 R N . 52880 1 291 . 1 . 1 182 182 GLY H H 1 8.452 . . . . . . . . 182 G HN . 52880 1 292 . 1 . 1 182 182 GLY N N 15 108.676 . . . . . . . . 182 G N . 52880 1 293 . 1 . 1 183 183 TYR H H 1 7.842 . . . . . . . . 183 Y HN . 52880 1 294 . 1 . 1 183 183 TYR N N 15 116.611 . . . . . . . . 183 Y N . 52880 1 295 . 1 . 1 184 184 HIS H H 1 9.774 . . . . . . . . 184 H HN . 52880 1 296 . 1 . 1 184 184 HIS N N 15 117.229 . . . . . . . . 184 H N . 52880 1 297 . 1 . 1 185 185 GLN H H 1 10.072 . . . . . . . . 185 Q HN . 52880 1 298 . 1 . 1 185 185 GLN N N 15 129.920 . . . . . . . . 185 Q N . 52880 1 299 . 1 . 1 186 186 TYR H H 1 9.144 . . . . . . . . 186 Y HN . 52880 1 300 . 1 . 1 186 186 TYR N N 15 125.832 . . . . . . . . 186 Y N . 52880 1 301 . 1 . 1 187 187 ALA H H 1 9.783 . . . . . . . . 187 A HN . 52880 1 302 . 1 . 1 187 187 ALA N N 15 136.945 . . . . . . . . 187 A N . 52880 1 303 . 1 . 1 188 188 TYR H H 1 8.214 . . . . . . . . 188 Y HN . 52880 1 304 . 1 . 1 188 188 TYR N N 15 119.095 . . . . . . . . 188 Y N . 52880 1 305 . 1 . 1 189 189 ASP H H 1 9.345 . . . . . . . . 189 D HN . 52880 1 306 . 1 . 1 189 189 ASP N N 15 131.399 . . . . . . . . 189 D N . 52880 1 307 . 1 . 1 190 190 GLY H H 1 9.393 . . . . . . . . 190 G HN . 52880 1 308 . 1 . 1 190 190 GLY N N 15 103.434 . . . . . . . . 190 G N . 52880 1 309 . 1 . 1 191 191 LYS H H 1 7.714 . . . . . . . . 191 K HN . 52880 1 310 . 1 . 1 191 191 LYS N N 15 120.911 . . . . . . . . 191 K N . 52880 1 311 . 1 . 1 192 192 ASP H H 1 8.479 . . . . . . . . 192 D HN . 52880 1 312 . 1 . 1 192 192 ASP N N 15 123.726 . . . . . . . . 192 D N . 52880 1 313 . 1 . 1 193 193 TYR H H 1 9.079 . . . . . . . . 193 Y HN . 52880 1 314 . 1 . 1 193 193 TYR N N 15 127.259 . . . . . . . . 193 Y N . 52880 1 315 . 1 . 1 194 194 ILE H H 1 8.154 . . . . . . . . 194 I HN . 52880 1 316 . 1 . 1 194 194 ILE N N 15 115.724 . . . . . . . . 194 I N . 52880 1 317 . 1 . 1 195 195 ALA H H 1 8.476 . . . . . . . . 195 A HN . 52880 1 318 . 1 . 1 195 195 ALA N N 15 127.232 . . . . . . . . 195 A N . 52880 1 319 . 1 . 1 196 196 LEU H H 1 8.510 . . . . . . . . 196 L HN . 52880 1 320 . 1 . 1 196 196 LEU N N 15 125.518 . . . . . . . . 196 L N . 52880 1 321 . 1 . 1 197 197 LYS H H 1 8.689 . . . . . . . . 197 K HN . 52880 1 322 . 1 . 1 197 197 LYS N N 15 127.418 . . . . . . . . 197 K N . 52880 1 323 . 1 . 1 198 198 GLU H H 1 8.848 . . . . . . . . 198 E HN . 52880 1 324 . 1 . 1 198 198 GLU N N 15 120.159 . . . . . . . . 198 E N . 52880 1 325 . 1 . 1 199 199 ASP H H 1 7.253 . . . . . . . . 199 D HN . 52880 1 326 . 1 . 1 199 199 ASP N N 15 115.941 . . . . . . . . 199 D N . 52880 1 327 . 1 . 1 200 200 LEU H H 1 8.505 . . . . . . . . 200 L HN . 52880 1 328 . 1 . 1 200 200 LEU N N 15 114.368 . . . . . . . . 200 L N . 52880 1 329 . 1 . 1 201 201 ARG H H 1 8.165 . . . . . . . . 201 R HN . 52880 1 330 . 1 . 1 201 201 ARG N N 15 113.801 . . . . . . . . 201 R N . 52880 1 331 . 1 . 1 202 202 SER H H 1 7.881 . . . . . . . . 202 S HN . 52880 1 332 . 1 . 1 202 202 SER N N 15 115.076 . . . . . . . . 202 S N . 52880 1 333 . 1 . 1 203 203 TRP H H 1 8.493 . . . . . . . . 203 W HN . 52880 1 334 . 1 . 1 203 203 TRP N N 15 119.961 . . . . . . . . 203 W N . 52880 1 335 . 1 . 1 204 204 THR H H 1 9.629 . . . . . . . . 204 T HN . 52880 1 336 . 1 . 1 204 204 THR N N 15 119.192 . . . . . . . . 204 T N . 52880 1 337 . 1 . 1 206 206 ALA H H 1 8.334 . . . . . . . . 206 A HN . 52880 1 338 . 1 . 1 206 206 ALA N N 15 125.602 . . . . . . . . 206 A N . 52880 1 339 . 1 . 1 207 207 ASP H H 1 7.279 . . . . . . . . 207 D HN . 52880 1 340 . 1 . 1 207 207 ASP N N 15 115.125 . . . . . . . . 207 D N . 52880 1 341 . 1 . 1 209 209 ALA H H 1 7.841 . . . . . . . . 209 A HN . 52880 1 342 . 1 . 1 209 209 ALA N N 15 125.709 . . . . . . . . 209 A N . 52880 1 343 . 1 . 1 210 210 ALA H H 1 8.082 . . . . . . . . 210 A HN . 52880 1 344 . 1 . 1 210 210 ALA N N 15 118.723 . . . . . . . . 210 A N . 52880 1 345 . 1 . 1 211 211 GLN H H 1 7.656 . . . . . . . . 211 Q HN . 52880 1 346 . 1 . 1 211 211 GLN N N 15 117.050 . . . . . . . . 211 Q N . 52880 1 347 . 1 . 1 212 212 THR H H 1 7.520 . . . . . . . . 212 T HN . 52880 1 348 . 1 . 1 212 212 THR N N 15 119.001 . . . . . . . . 212 T N . 52880 1 349 . 1 . 1 213 213 THR H H 1 6.931 . . . . . . . . 213 T HN . 52880 1 350 . 1 . 1 213 213 THR N N 15 119.628 . . . . . . . . 213 T N . 52880 1 351 . 1 . 1 214 214 LYS H H 1 8.126 . . . . . . . . 214 K HN . 52880 1 352 . 1 . 1 214 214 LYS N N 15 121.145 . . . . . . . . 214 K N . 52880 1 353 . 1 . 1 215 215 HIS H H 1 7.709 . . . . . . . . 215 H HN . 52880 1 354 . 1 . 1 215 215 HIS N N 15 117.054 . . . . . . . . 215 H N . 52880 1 355 . 1 . 1 216 216 LYS H H 1 7.720 . . . . . . . . 216 K HN . 52880 1 356 . 1 . 1 216 216 LYS N N 15 120.907 . . . . . . . . 216 K N . 52880 1 357 . 1 . 1 217 217 TRP H H 1 9.625 . . . . . . . . 217 W HN . 52880 1 358 . 1 . 1 217 217 TRP N N 15 122.056 . . . . . . . . 217 W N . 52880 1 359 . 1 . 1 218 218 GLU H H 1 9.074 . . . . . . . . 218 E HN . 52880 1 360 . 1 . 1 218 218 GLU N N 15 124.487 . . . . . . . . 218 E N . 52880 1 361 . 1 . 1 219 219 ALA H H 1 7.857 . . . . . . . . 219 A HN . 52880 1 362 . 1 . 1 219 219 ALA N N 15 123.351 . . . . . . . . 219 A N . 52880 1 363 . 1 . 1 220 220 ALA H H 1 7.186 . . . . . . . . 220 A HN . 52880 1 364 . 1 . 1 220 220 ALA N N 15 116.425 . . . . . . . . 220 A N . 52880 1 365 . 1 . 1 221 221 HIS H H 1 7.590 . . . . . . . . 221 H HN . 52880 1 366 . 1 . 1 221 221 HIS N N 15 115.088 . . . . . . . . 221 H N . 52880 1 367 . 1 . 1 222 222 VAL H H 1 7.839 . . . . . . . . 222 V HN . 52880 1 368 . 1 . 1 222 222 VAL N N 15 117.515 . . . . . . . . 222 V N . 52880 1 369 . 1 . 1 223 223 ALA H H 1 9.716 . . . . . . . . 223 A HN . 52880 1 370 . 1 . 1 223 223 ALA N N 15 121.236 . . . . . . . . 223 A N . 52880 1 371 . 1 . 1 224 224 GLU H H 1 8.112 . . . . . . . . 224 E HN . 52880 1 372 . 1 . 1 224 224 GLU N N 15 117.300 . . . . . . . . 224 E N . 52880 1 373 . 1 . 1 225 225 GLN H H 1 7.326 . . . . . . . . 225 Q HN . 52880 1 374 . 1 . 1 225 225 GLN N N 15 119.470 . . . . . . . . 225 Q N . 52880 1 375 . 1 . 1 227 227 ARG H H 1 9.292 . . . . . . . . 227 R HN . 52880 1 376 . 1 . 1 227 227 ARG N N 15 121.808 . . . . . . . . 227 R N . 52880 1 377 . 1 . 1 228 228 ALA H H 1 7.130 . . . . . . . . 228 A HN . 52880 1 378 . 1 . 1 228 228 ALA N N 15 118.598 . . . . . . . . 228 A N . 52880 1 379 . 1 . 1 229 229 TYR H H 1 7.416 . . . . . . . . 229 Y HN . 52880 1 380 . 1 . 1 229 229 TYR N N 15 118.674 . . . . . . . . 229 Y N . 52880 1 381 . 1 . 1 231 231 GLU H H 1 7.575 . . . . . . . . 231 E HN . 52880 1 382 . 1 . 1 231 231 GLU N N 15 109.034 . . . . . . . . 231 E N . 52880 1 383 . 1 . 1 232 232 GLY H H 1 6.935 . . . . . . . . 232 G HN . 52880 1 384 . 1 . 1 232 232 GLY N N 15 106.526 . . . . . . . . 232 G N . 52880 1 385 . 1 . 1 233 233 THR H H 1 7.661 . . . . . . . . 233 T HN . 52880 1 386 . 1 . 1 233 233 THR N N 15 126.627 . . . . . . . . 233 T N . 52880 1 387 . 1 . 1 234 234 CYS H H 1 9.511 . . . . . . . . 234 C HN . 52880 1 388 . 1 . 1 234 234 CYS N N 15 120.414 . . . . . . . . 234 C N . 52880 1 389 . 1 . 1 235 235 VAL H H 1 6.381 . . . . . . . . 235 V HN . 52880 1 390 . 1 . 1 235 235 VAL N N 15 117.274 . . . . . . . . 235 V N . 52880 1 391 . 1 . 1 236 236 GLU H H 1 8.173 . . . . . . . . 236 E HN . 52880 1 392 . 1 . 1 236 236 GLU N N 15 119.664 . . . . . . . . 236 E N . 52880 1 393 . 1 . 1 237 237 TRP H H 1 8.605 . . . . . . . . 237 W HN . 52880 1 394 . 1 . 1 237 237 TRP N N 15 119.001 . . . . . . . . 237 W N . 52880 1 395 . 1 . 1 238 238 LEU H H 1 8.060 . . . . . . . . 238 L HN . 52880 1 396 . 1 . 1 238 238 LEU N N 15 121.722 . . . . . . . . 238 L N . 52880 1 397 . 1 . 1 239 239 ARG H H 1 7.514 . . . . . . . . 239 R HN . 52880 1 398 . 1 . 1 239 239 ARG N N 15 115.463 . . . . . . . . 239 R N . 52880 1 399 . 1 . 1 240 240 ARG H H 1 6.980 . . . . . . . . 240 R HN . 52880 1 400 . 1 . 1 240 240 ARG N N 15 119.745 . . . . . . . . 240 R N . 52880 1 401 . 1 . 1 244 244 ASN H H 1 8.095 . . . . . . . . 244 N HN . 52880 1 402 . 1 . 1 244 244 ASN N N 15 118.924 . . . . . . . . 244 N N . 52880 1 403 . 1 . 1 245 245 GLY H H 1 7.805 . . . . . . . . 245 G HN . 52880 1 404 . 1 . 1 245 245 GLY N N 15 108.220 . . . . . . . . 245 G N . 52880 1 405 . 1 . 1 246 246 LYS H H 1 7.408 . . . . . . . . 246 K HN . 52880 1 406 . 1 . 1 246 246 LYS N N 15 121.156 . . . . . . . . 246 K N . 52880 1 407 . 1 . 1 247 247 GLU H H 1 8.163 . . . . . . . . 247 E HN . 52880 1 408 . 1 . 1 247 247 GLU N N 15 120.589 . . . . . . . . 247 E N . 52880 1 409 . 1 . 1 248 248 THR H H 1 7.985 . . . . . . . . 248 T HN . 52880 1 410 . 1 . 1 248 248 THR N N 15 114.851 . . . . . . . . 248 T N . 52880 1 411 . 1 . 1 249 249 LEU H H 1 8.100 . . . . . . . . 249 L HN . 52880 1 412 . 1 . 1 249 249 LEU N N 15 125.426 . . . . . . . . 249 L N . 52880 1 413 . 1 . 1 250 250 GLN H H 1 7.769 . . . . . . . . 250 Q HN . 52880 1 414 . 1 . 1 250 250 GLN N N 15 126.063 . . . . . . . . 250 Q N . 52880 1 stop_ save_