data_53121 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53121 _Entry.Title ; Methyl resonance assignments of AILV in BAP1-UCH WT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-06 _Entry.Accession_date 2025-05-06 _Entry.Last_release_date 2025-05-07 _Entry.Original_release_date 2025-05-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.14.0 _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 'Shang-Te Danny' Hsu . . . . 53121 2 Chih-Hsuan Lai . . . . 53121 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53121 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 77 53121 '1H chemical shifts' 231 53121 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-09-03 . original BMRB . 53121 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53121 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42191708 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Allosteric network of dynamic coupling within BAP1-UCH revealed by methyl NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 6867 _Citation.Page_last 6867 _Citation.Year 2026 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chih-Hsuan Lai C. H. . . 53121 1 2 Yuan-Chao Lou Y. C. . . 53121 1 3 Chi-Fon Chang C. F. . . 53121 1 4 Wei-Lin Lu W. L. . . 53121 1 5 'Manoj Kumar' Sriramoju M. K. . . 53121 1 6 Yong-Sheng Wang Y. S. . . 53121 1 7 Kuen-Phon Wu K. P. . . 53121 1 8 Carlo Camilloni C. . . . 53121 1 9 'Shang-Te Danny' Hsu S. D. . . 53121 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53121 _Assembly.ID 1 _Assembly.Name 'BAP1-UCH_WT monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 BAP1-UCH 1 $entity_1 . . yes native no no . . . 53121 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53121 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BAP1-UCH_WT _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 ; SNGMNKGWLELESDPGLFTL LVEDFGVKGVQVEEIYDLQS KCQGPVYGFIFLFKWIEERR SRRKVSTLVDDTSVIDDDIV NNMFFAHQLIPNSCATHALL SVLLNCSSVDLGPTLSRMKD FTKGFSPESKGYAIGNAPEL AKAHNSHARPEPRHLPEKQN GLSAVRTMEAFHFVSYVPIT GRLFELDGLKVYPIDHGPWG EDEEWTDKARRVIMERIGLA TAGEPYHDIRFNLMAVVPDR R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 241 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 SER . 53121 1 2 -1 ASN . 53121 1 3 0 GLY . 53121 1 4 1 MET . 53121 1 5 2 ASN . 53121 1 6 3 LYS . 53121 1 7 4 GLY . 53121 1 8 5 TRP . 53121 1 9 6 LEU . 53121 1 10 7 GLU . 53121 1 11 8 LEU . 53121 1 12 9 GLU . 53121 1 13 10 SER . 53121 1 14 11 ASP . 53121 1 15 12 PRO . 53121 1 16 13 GLY . 53121 1 17 14 LEU . 53121 1 18 15 PHE . 53121 1 19 16 THR . 53121 1 20 17 LEU . 53121 1 21 18 LEU . 53121 1 22 19 VAL . 53121 1 23 20 GLU . 53121 1 24 21 ASP . 53121 1 25 22 PHE . 53121 1 26 23 GLY . 53121 1 27 24 VAL . 53121 1 28 25 LYS . 53121 1 29 26 GLY . 53121 1 30 27 VAL . 53121 1 31 28 GLN . 53121 1 32 29 VAL . 53121 1 33 30 GLU . 53121 1 34 31 GLU . 53121 1 35 32 ILE . 53121 1 36 33 TYR . 53121 1 37 34 ASP . 53121 1 38 35 LEU . 53121 1 39 36 GLN . 53121 1 40 37 SER . 53121 1 41 38 LYS . 53121 1 42 39 CYS . 53121 1 43 40 GLN . 53121 1 44 41 GLY . 53121 1 45 42 PRO . 53121 1 46 43 VAL . 53121 1 47 44 TYR . 53121 1 48 45 GLY . 53121 1 49 46 PHE . 53121 1 50 47 ILE . 53121 1 51 48 PHE . 53121 1 52 49 LEU . 53121 1 53 50 PHE . 53121 1 54 51 LYS . 53121 1 55 52 TRP . 53121 1 56 53 ILE . 53121 1 57 54 GLU . 53121 1 58 55 GLU . 53121 1 59 56 ARG . 53121 1 60 57 ARG . 53121 1 61 58 SER . 53121 1 62 59 ARG . 53121 1 63 60 ARG . 53121 1 64 61 LYS . 53121 1 65 62 VAL . 53121 1 66 63 SER . 53121 1 67 64 THR . 53121 1 68 65 LEU . 53121 1 69 66 VAL . 53121 1 70 67 ASP . 53121 1 71 68 ASP . 53121 1 72 69 THR . 53121 1 73 70 SER . 53121 1 74 71 VAL . 53121 1 75 72 ILE . 53121 1 76 73 ASP . 53121 1 77 74 ASP . 53121 1 78 75 ASP . 53121 1 79 76 ILE . 53121 1 80 77 VAL . 53121 1 81 78 ASN . 53121 1 82 79 ASN . 53121 1 83 80 MET . 53121 1 84 81 PHE . 53121 1 85 82 PHE . 53121 1 86 83 ALA . 53121 1 87 84 HIS . 53121 1 88 85 GLN . 53121 1 89 86 LEU . 53121 1 90 87 ILE . 53121 1 91 88 PRO . 53121 1 92 89 ASN . 53121 1 93 90 SER . 53121 1 94 91 CYS . 53121 1 95 92 ALA . 53121 1 96 93 THR . 53121 1 97 94 HIS . 53121 1 98 95 ALA . 53121 1 99 96 LEU . 53121 1 100 97 LEU . 53121 1 101 98 SER . 53121 1 102 99 VAL . 53121 1 103 100 LEU . 53121 1 104 101 LEU . 53121 1 105 102 ASN . 53121 1 106 103 CYS . 53121 1 107 104 SER . 53121 1 108 105 SER . 53121 1 109 106 VAL . 53121 1 110 107 ASP . 53121 1 111 108 LEU . 53121 1 112 109 GLY . 53121 1 113 110 PRO . 53121 1 114 111 THR . 53121 1 115 112 LEU . 53121 1 116 113 SER . 53121 1 117 114 ARG . 53121 1 118 115 MET . 53121 1 119 116 LYS . 53121 1 120 117 ASP . 53121 1 121 118 PHE . 53121 1 122 119 THR . 53121 1 123 120 LYS . 53121 1 124 121 GLY . 53121 1 125 122 PHE . 53121 1 126 123 SER . 53121 1 127 124 PRO . 53121 1 128 125 GLU . 53121 1 129 126 SER . 53121 1 130 127 LYS . 53121 1 131 128 GLY . 53121 1 132 129 TYR . 53121 1 133 130 ALA . 53121 1 134 131 ILE . 53121 1 135 132 GLY . 53121 1 136 133 ASN . 53121 1 137 134 ALA . 53121 1 138 135 PRO . 53121 1 139 136 GLU . 53121 1 140 137 LEU . 53121 1 141 138 ALA . 53121 1 142 139 LYS . 53121 1 143 140 ALA . 53121 1 144 141 HIS . 53121 1 145 142 ASN . 53121 1 146 143 SER . 53121 1 147 144 HIS . 53121 1 148 145 ALA . 53121 1 149 146 ARG . 53121 1 150 147 PRO . 53121 1 151 148 GLU . 53121 1 152 149 PRO . 53121 1 153 150 ARG . 53121 1 154 151 HIS . 53121 1 155 152 LEU . 53121 1 156 153 PRO . 53121 1 157 154 GLU . 53121 1 158 155 LYS . 53121 1 159 156 GLN . 53121 1 160 157 ASN . 53121 1 161 158 GLY . 53121 1 162 159 LEU . 53121 1 163 160 SER . 53121 1 164 161 ALA . 53121 1 165 162 VAL . 53121 1 166 163 ARG . 53121 1 167 164 THR . 53121 1 168 165 MET . 53121 1 169 166 GLU . 53121 1 170 167 ALA . 53121 1 171 168 PHE . 53121 1 172 169 HIS . 53121 1 173 170 PHE . 53121 1 174 171 VAL . 53121 1 175 172 SER . 53121 1 176 173 TYR . 53121 1 177 174 VAL . 53121 1 178 175 PRO . 53121 1 179 176 ILE . 53121 1 180 177 THR . 53121 1 181 178 GLY . 53121 1 182 179 ARG . 53121 1 183 180 LEU . 53121 1 184 181 PHE . 53121 1 185 182 GLU . 53121 1 186 183 LEU . 53121 1 187 184 ASP . 53121 1 188 185 GLY . 53121 1 189 186 LEU . 53121 1 190 187 LYS . 53121 1 191 188 VAL . 53121 1 192 189 TYR . 53121 1 193 190 PRO . 53121 1 194 191 ILE . 53121 1 195 192 ASP . 53121 1 196 193 HIS . 53121 1 197 194 GLY . 53121 1 198 195 PRO . 53121 1 199 196 TRP . 53121 1 200 197 GLY . 53121 1 201 198 GLU . 53121 1 202 199 ASP . 53121 1 203 200 GLU . 53121 1 204 201 GLU . 53121 1 205 202 TRP . 53121 1 206 203 THR . 53121 1 207 204 ASP . 53121 1 208 205 LYS . 53121 1 209 206 ALA . 53121 1 210 207 ARG . 53121 1 211 208 ARG . 53121 1 212 209 VAL . 53121 1 213 210 ILE . 53121 1 214 211 MET . 53121 1 215 212 GLU . 53121 1 216 213 ARG . 53121 1 217 214 ILE . 53121 1 218 215 GLY . 53121 1 219 216 LEU . 53121 1 220 217 ALA . 53121 1 221 218 THR . 53121 1 222 219 ALA . 53121 1 223 220 GLY . 53121 1 224 221 GLU . 53121 1 225 222 PRO . 53121 1 226 223 TYR . 53121 1 227 224 HIS . 53121 1 228 225 ASP . 53121 1 229 226 ILE . 53121 1 230 227 ARG . 53121 1 231 228 PHE . 53121 1 232 229 ASN . 53121 1 233 230 LEU . 53121 1 234 231 MET . 53121 1 235 232 ALA . 53121 1 236 233 VAL . 53121 1 237 234 VAL . 53121 1 238 235 PRO . 53121 1 239 236 ASP . 53121 1 240 237 ARG . 53121 1 241 238 ARG . 53121 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 . SER 1 1 53121 1 . ASN 2 2 53121 1 . GLY 3 3 53121 1 . MET 4 4 53121 1 . ASN 5 5 53121 1 . LYS 6 6 53121 1 . GLY 7 7 53121 1 . TRP 8 8 53121 1 . LEU 9 9 53121 1 . GLU 10 10 53121 1 . LEU 11 11 53121 1 . GLU 12 12 53121 1 . SER 13 13 53121 1 . ASP 14 14 53121 1 . PRO 15 15 53121 1 . GLY 16 16 53121 1 . LEU 17 17 53121 1 . PHE 18 18 53121 1 . THR 19 19 53121 1 . LEU 20 20 53121 1 . LEU 21 21 53121 1 . VAL 22 22 53121 1 . GLU 23 23 53121 1 . ASP 24 24 53121 1 . PHE 25 25 53121 1 . GLY 26 26 53121 1 . VAL 27 27 53121 1 . LYS 28 28 53121 1 . GLY 29 29 53121 1 . VAL 30 30 53121 1 . GLN 31 31 53121 1 . VAL 32 32 53121 1 . GLU 33 33 53121 1 . GLU 34 34 53121 1 . ILE 35 35 53121 1 . TYR 36 36 53121 1 . ASP 37 37 53121 1 . LEU 38 38 53121 1 . GLN 39 39 53121 1 . SER 40 40 53121 1 . LYS 41 41 53121 1 . CYS 42 42 53121 1 . GLN 43 43 53121 1 . GLY 44 44 53121 1 . PRO 45 45 53121 1 . VAL 46 46 53121 1 . TYR 47 47 53121 1 . GLY 48 48 53121 1 . PHE 49 49 53121 1 . ILE 50 50 53121 1 . PHE 51 51 53121 1 . LEU 52 52 53121 1 . PHE 53 53 53121 1 . LYS 54 54 53121 1 . TRP 55 55 53121 1 . ILE 56 56 53121 1 . GLU 57 57 53121 1 . GLU 58 58 53121 1 . ARG 59 59 53121 1 . ARG 60 60 53121 1 . SER 61 61 53121 1 . ARG 62 62 53121 1 . ARG 63 63 53121 1 . LYS 64 64 53121 1 . VAL 65 65 53121 1 . SER 66 66 53121 1 . THR 67 67 53121 1 . LEU 68 68 53121 1 . VAL 69 69 53121 1 . ASP 70 70 53121 1 . ASP 71 71 53121 1 . THR 72 72 53121 1 . SER 73 73 53121 1 . VAL 74 74 53121 1 . ILE 75 75 53121 1 . ASP 76 76 53121 1 . ASP 77 77 53121 1 . ASP 78 78 53121 1 . ILE 79 79 53121 1 . VAL 80 80 53121 1 . ASN 81 81 53121 1 . ASN 82 82 53121 1 . MET 83 83 53121 1 . PHE 84 84 53121 1 . PHE 85 85 53121 1 . ALA 86 86 53121 1 . HIS 87 87 53121 1 . GLN 88 88 53121 1 . LEU 89 89 53121 1 . ILE 90 90 53121 1 . PRO 91 91 53121 1 . ASN 92 92 53121 1 . SER 93 93 53121 1 . CYS 94 94 53121 1 . ALA 95 95 53121 1 . THR 96 96 53121 1 . HIS 97 97 53121 1 . ALA 98 98 53121 1 . LEU 99 99 53121 1 . LEU 100 100 53121 1 . SER 101 101 53121 1 . VAL 102 102 53121 1 . LEU 103 103 53121 1 . LEU 104 104 53121 1 . ASN 105 105 53121 1 . CYS 106 106 53121 1 . SER 107 107 53121 1 . SER 108 108 53121 1 . VAL 109 109 53121 1 . ASP 110 110 53121 1 . LEU 111 111 53121 1 . GLY 112 112 53121 1 . PRO 113 113 53121 1 . THR 114 114 53121 1 . LEU 115 115 53121 1 . SER 116 116 53121 1 . ARG 117 117 53121 1 . MET 118 118 53121 1 . LYS 119 119 53121 1 . ASP 120 120 53121 1 . PHE 121 121 53121 1 . THR 122 122 53121 1 . LYS 123 123 53121 1 . GLY 124 124 53121 1 . PHE 125 125 53121 1 . SER 126 126 53121 1 . PRO 127 127 53121 1 . GLU 128 128 53121 1 . SER 129 129 53121 1 . LYS 130 130 53121 1 . GLY 131 131 53121 1 . TYR 132 132 53121 1 . ALA 133 133 53121 1 . ILE 134 134 53121 1 . GLY 135 135 53121 1 . ASN 136 136 53121 1 . ALA 137 137 53121 1 . PRO 138 138 53121 1 . GLU 139 139 53121 1 . LEU 140 140 53121 1 . ALA 141 141 53121 1 . LYS 142 142 53121 1 . ALA 143 143 53121 1 . HIS 144 144 53121 1 . ASN 145 145 53121 1 . SER 146 146 53121 1 . HIS 147 147 53121 1 . ALA 148 148 53121 1 . ARG 149 149 53121 1 . PRO 150 150 53121 1 . GLU 151 151 53121 1 . PRO 152 152 53121 1 . ARG 153 153 53121 1 . HIS 154 154 53121 1 . LEU 155 155 53121 1 . PRO 156 156 53121 1 . GLU 157 157 53121 1 . LYS 158 158 53121 1 . GLN 159 159 53121 1 . ASN 160 160 53121 1 . GLY 161 161 53121 1 . LEU 162 162 53121 1 . SER 163 163 53121 1 . ALA 164 164 53121 1 . VAL 165 165 53121 1 . ARG 166 166 53121 1 . THR 167 167 53121 1 . MET 168 168 53121 1 . GLU 169 169 53121 1 . ALA 170 170 53121 1 . PHE 171 171 53121 1 . HIS 172 172 53121 1 . PHE 173 173 53121 1 . VAL 174 174 53121 1 . SER 175 175 53121 1 . TYR 176 176 53121 1 . VAL 177 177 53121 1 . PRO 178 178 53121 1 . ILE 179 179 53121 1 . THR 180 180 53121 1 . GLY 181 181 53121 1 . ARG 182 182 53121 1 . LEU 183 183 53121 1 . PHE 184 184 53121 1 . GLU 185 185 53121 1 . LEU 186 186 53121 1 . ASP 187 187 53121 1 . GLY 188 188 53121 1 . LEU 189 189 53121 1 . LYS 190 190 53121 1 . VAL 191 191 53121 1 . TYR 192 192 53121 1 . PRO 193 193 53121 1 . ILE 194 194 53121 1 . ASP 195 195 53121 1 . HIS 196 196 53121 1 . GLY 197 197 53121 1 . PRO 198 198 53121 1 . TRP 199 199 53121 1 . GLY 200 200 53121 1 . GLU 201 201 53121 1 . ASP 202 202 53121 1 . GLU 203 203 53121 1 . GLU 204 204 53121 1 . TRP 205 205 53121 1 . THR 206 206 53121 1 . ASP 207 207 53121 1 . LYS 208 208 53121 1 . ALA 209 209 53121 1 . ARG 210 210 53121 1 . ARG 211 211 53121 1 . VAL 212 212 53121 1 . ILE 213 213 53121 1 . MET 214 214 53121 1 . GLU 215 215 53121 1 . ARG 216 216 53121 1 . ILE 217 217 53121 1 . GLY 218 218 53121 1 . LEU 219 219 53121 1 . ALA 220 220 53121 1 . THR 221 221 53121 1 . ALA 222 222 53121 1 . GLY 223 223 53121 1 . GLU 224 224 53121 1 . PRO 225 225 53121 1 . TYR 226 226 53121 1 . HIS 227 227 53121 1 . ASP 228 228 53121 1 . ILE 229 229 53121 1 . ARG 230 230 53121 1 . PHE 231 231 53121 1 . ASN 232 232 53121 1 . LEU 233 233 53121 1 . MET 234 234 53121 1 . ALA 235 235 53121 1 . VAL 236 236 53121 1 . VAL 237 237 53121 1 . PRO 238 238 53121 1 . ASP 239 239 53121 1 . ARG 240 240 53121 1 . ARG 241 241 53121 1 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 53121 _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 . . . . . . . . . . . . . 53121 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 53121 _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' . . . . . 'BL21 (DE3)' . . plasmid . . pET28a . . . 53121 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53121 _Sample.ID 1 _Sample.Name '[U-13C] BAP1-UCH_WT' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 BAP1-UCH_WT [U-13C] . . 1 $entity_1 . . 275 . . uM . . . . 53121 1 2 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 53121 1 3 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 53121 1 4 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 53121 1 5 NaCl 'natural abundance' . . . . . . 137 . . mM . . . . 53121 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 53121 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PBS-D2O buffer' _Sample_condition_list.Details 'PBS (10 mM Na2HPO4, 1.8 mM KH2PO4, 2.7 mM KCl, 137 mM NaCl)' 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 pD 7.0 . pH 53121 1 pressure 1 . atm 53121 1 temperature 298 . K 53121 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53121 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53121 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53121 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53121 2 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53121 _Software.ID 3 _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' . 53121 3 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 53121 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53121 _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-13C HMQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53121 1 2 '3D 1H-13C NOESY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53121 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 53121 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _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 protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 53121 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53121 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 53121 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Methyl resonance assignment of 13C-AILVMT in BAP1-UCH_WT' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 53121 1 2 '3D 1H-13C NOESY' . . . 53121 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 . . 53121 1 2 $software_3 . . 53121 1 3 $software_2 . . 53121 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 9 9 LEU HD11 H 1 0.839 . . . . . . . . 6 L HD1 . 53121 1 2 . 1 . 1 9 9 LEU HD12 H 1 0.839 . . . . . . . . 6 L HD1 . 53121 1 3 . 1 . 1 9 9 LEU HD13 H 1 0.839 . . . . . . . . 6 L HD1 . 53121 1 4 . 1 . 1 9 9 LEU HD21 H 1 0.824 . . . . . . . . 6 L HD2 . 53121 1 5 . 1 . 1 9 9 LEU HD22 H 1 0.824 . . . . . . . . 6 L HD2 . 53121 1 6 . 1 . 1 9 9 LEU HD23 H 1 0.824 . . . . . . . . 6 L HD2 . 53121 1 7 . 1 . 1 9 9 LEU CD1 C 13 25.589 . . . . . . . . 6 L CD1 . 53121 1 8 . 1 . 1 9 9 LEU CD2 C 13 22.398 . . . . . . . . 6 L CD2 . 53121 1 9 . 1 . 1 11 11 LEU HD11 H 1 0.332 . . . . . . . . 8 L HD1 . 53121 1 10 . 1 . 1 11 11 LEU HD12 H 1 0.332 . . . . . . . . 8 L HD1 . 53121 1 11 . 1 . 1 11 11 LEU HD13 H 1 0.332 . . . . . . . . 8 L HD1 . 53121 1 12 . 1 . 1 11 11 LEU HD21 H 1 0.549 . . . . . . . . 8 L HD2 . 53121 1 13 . 1 . 1 11 11 LEU HD22 H 1 0.549 . . . . . . . . 8 L HD2 . 53121 1 14 . 1 . 1 11 11 LEU HD23 H 1 0.549 . . . . . . . . 8 L HD2 . 53121 1 15 . 1 . 1 11 11 LEU CD1 C 13 24.943 . . . . . . . . 8 L CD1 . 53121 1 16 . 1 . 1 11 11 LEU CD2 C 13 22.740 . . . . . . . . 8 L CD2 . 53121 1 17 . 1 . 1 17 17 LEU HD11 H 1 1.002 . . . . . . . . 14 L HD1 . 53121 1 18 . 1 . 1 17 17 LEU HD12 H 1 1.002 . . . . . . . . 14 L HD1 . 53121 1 19 . 1 . 1 17 17 LEU HD13 H 1 1.002 . . . . . . . . 14 L HD1 . 53121 1 20 . 1 . 1 17 17 LEU CD1 C 13 26.124 . . . . . . . . 14 L CD1 . 53121 1 21 . 1 . 1 19 19 THR HG21 H 1 1.341 . . . . . . . . 16 T HG2 . 53121 1 22 . 1 . 1 19 19 THR HG22 H 1 1.341 . . . . . . . . 16 T HG2 . 53121 1 23 . 1 . 1 19 19 THR HG23 H 1 1.341 . . . . . . . . 16 T HG2 . 53121 1 24 . 1 . 1 19 19 THR CG2 C 13 21.779 . . . . . . . . 16 T CG2 . 53121 1 25 . 1 . 1 21 21 LEU HD11 H 1 0.538 . . . . . . . . 18 L HD1 . 53121 1 26 . 1 . 1 21 21 LEU HD12 H 1 0.538 . . . . . . . . 18 L HD1 . 53121 1 27 . 1 . 1 21 21 LEU HD13 H 1 0.538 . . . . . . . . 18 L HD1 . 53121 1 28 . 1 . 1 21 21 LEU CD1 C 13 24.765 . . . . . . . . 18 L CD1 . 53121 1 29 . 1 . 1 27 27 VAL HG11 H 1 0.702 . . . . . . . . 24 V HG1 . 53121 1 30 . 1 . 1 27 27 VAL HG12 H 1 0.702 . . . . . . . . 24 V HG1 . 53121 1 31 . 1 . 1 27 27 VAL HG13 H 1 0.702 . . . . . . . . 24 V HG1 . 53121 1 32 . 1 . 1 27 27 VAL CG1 C 13 21.963 . . . . . . . . 24 V CG1 . 53121 1 33 . 1 . 1 35 35 ILE HD11 H 1 0.633 . . . . . . . . 32 I HD1 . 53121 1 34 . 1 . 1 35 35 ILE HD12 H 1 0.633 . . . . . . . . 32 I HD1 . 53121 1 35 . 1 . 1 35 35 ILE HD13 H 1 0.633 . . . . . . . . 32 I HD1 . 53121 1 36 . 1 . 1 35 35 ILE CD1 C 13 10.998 . . . . . . . . 32 I CD1 . 53121 1 37 . 1 . 1 38 38 LEU HD11 H 1 0.692 . . . . . . . . 35 L HD1 . 53121 1 38 . 1 . 1 38 38 LEU HD12 H 1 0.692 . . . . . . . . 35 L HD1 . 53121 1 39 . 1 . 1 38 38 LEU HD13 H 1 0.692 . . . . . . . . 35 L HD1 . 53121 1 40 . 1 . 1 38 38 LEU HD21 H 1 0.576 . . . . . . . . 35 L HD2 . 53121 1 41 . 1 . 1 38 38 LEU HD22 H 1 0.576 . . . . . . . . 35 L HD2 . 53121 1 42 . 1 . 1 38 38 LEU HD23 H 1 0.576 . . . . . . . . 35 L HD2 . 53121 1 43 . 1 . 1 38 38 LEU CD1 C 13 25.145 . . . . . . . . 35 L CD1 . 53121 1 44 . 1 . 1 38 38 LEU CD2 C 13 25.025 . . . . . . . . 35 L CD2 . 53121 1 45 . 1 . 1 46 46 VAL HG21 H 1 0.677 . . . . . . . . 43 V HG2 . 53121 1 46 . 1 . 1 46 46 VAL HG22 H 1 0.677 . . . . . . . . 43 V HG2 . 53121 1 47 . 1 . 1 46 46 VAL HG23 H 1 0.677 . . . . . . . . 43 V HG2 . 53121 1 48 . 1 . 1 46 46 VAL CG2 C 13 21.897 . . . . . . . . 43 V CG2 . 53121 1 49 . 1 . 1 50 50 ILE HG21 H 1 0.948 . . . . . . . . 47 I HG2 . 53121 1 50 . 1 . 1 50 50 ILE HG22 H 1 0.948 . . . . . . . . 47 I HG2 . 53121 1 51 . 1 . 1 50 50 ILE HG23 H 1 0.948 . . . . . . . . 47 I HG2 . 53121 1 52 . 1 . 1 50 50 ILE HD11 H 1 0.670 . . . . . . . . 47 I HD1 . 53121 1 53 . 1 . 1 50 50 ILE HD12 H 1 0.670 . . . . . . . . 47 I HD1 . 53121 1 54 . 1 . 1 50 50 ILE HD13 H 1 0.670 . . . . . . . . 47 I HD1 . 53121 1 55 . 1 . 1 50 50 ILE CG2 C 13 17.910 . . . . . . . . 47 I CG2 . 53121 1 56 . 1 . 1 50 50 ILE CD1 C 13 13.972 . . . . . . . . 47 I CD1 . 53121 1 57 . 1 . 1 52 52 LEU HD11 H 1 0.209 . . . . . . . . 49 L HD1 . 53121 1 58 . 1 . 1 52 52 LEU HD12 H 1 0.209 . . . . . . . . 49 L HD1 . 53121 1 59 . 1 . 1 52 52 LEU HD13 H 1 0.209 . . . . . . . . 49 L HD1 . 53121 1 60 . 1 . 1 52 52 LEU HD21 H 1 0.310 . . . . . . . . 49 L HD2 . 53121 1 61 . 1 . 1 52 52 LEU HD22 H 1 0.310 . . . . . . . . 49 L HD2 . 53121 1 62 . 1 . 1 52 52 LEU HD23 H 1 0.310 . . . . . . . . 49 L HD2 . 53121 1 63 . 1 . 1 52 52 LEU CD1 C 13 25.464 . . . . . . . . 49 L CD1 . 53121 1 64 . 1 . 1 52 52 LEU CD2 C 13 27.146 . . . . . . . . 49 L CD2 . 53121 1 65 . 1 . 1 56 56 ILE HG21 H 1 0.872 . . . . . . . . 53 I HG2 . 53121 1 66 . 1 . 1 56 56 ILE HG22 H 1 0.872 . . . . . . . . 53 I HG2 . 53121 1 67 . 1 . 1 56 56 ILE HG23 H 1 0.872 . . . . . . . . 53 I HG2 . 53121 1 68 . 1 . 1 56 56 ILE HD11 H 1 0.796 . . . . . . . . 53 I HD1 . 53121 1 69 . 1 . 1 56 56 ILE HD12 H 1 0.796 . . . . . . . . 53 I HD1 . 53121 1 70 . 1 . 1 56 56 ILE HD13 H 1 0.796 . . . . . . . . 53 I HD1 . 53121 1 71 . 1 . 1 56 56 ILE CG2 C 13 17.796 . . . . . . . . 53 I CG2 . 53121 1 72 . 1 . 1 56 56 ILE CD1 C 13 12.546 . . . . . . . . 53 I CD1 . 53121 1 73 . 1 . 1 75 75 ILE HG21 H 1 0.412 . . . . . . . . 72 I HG2 . 53121 1 74 . 1 . 1 75 75 ILE HG22 H 1 0.412 . . . . . . . . 72 I HG2 . 53121 1 75 . 1 . 1 75 75 ILE HG23 H 1 0.412 . . . . . . . . 72 I HG2 . 53121 1 76 . 1 . 1 75 75 ILE HD11 H 1 0.669 . . . . . . . . 72 I HD1 . 53121 1 77 . 1 . 1 75 75 ILE HD12 H 1 0.669 . . . . . . . . 72 I HD1 . 53121 1 78 . 1 . 1 75 75 ILE HD13 H 1 0.669 . . . . . . . . 72 I HD1 . 53121 1 79 . 1 . 1 75 75 ILE CG2 C 13 16.906 . . . . . . . . 72 I CG2 . 53121 1 80 . 1 . 1 75 75 ILE CD1 C 13 13.306 . . . . . . . . 72 I CD1 . 53121 1 81 . 1 . 1 79 79 ILE HD11 H 1 0.855 . . . . . . . . 76 I HD1 . 53121 1 82 . 1 . 1 79 79 ILE HD12 H 1 0.855 . . . . . . . . 76 I HD1 . 53121 1 83 . 1 . 1 79 79 ILE HD13 H 1 0.855 . . . . . . . . 76 I HD1 . 53121 1 84 . 1 . 1 79 79 ILE CD1 C 13 12.444 . . . . . . . . 76 I CD1 . 53121 1 85 . 1 . 1 80 80 VAL HG11 H 1 1.134 . . . . . . . . 77 V HG1 . 53121 1 86 . 1 . 1 80 80 VAL HG12 H 1 1.134 . . . . . . . . 77 V HG1 . 53121 1 87 . 1 . 1 80 80 VAL HG13 H 1 1.134 . . . . . . . . 77 V HG1 . 53121 1 88 . 1 . 1 80 80 VAL HG21 H 1 0.988 . . . . . . . . 77 V HG2 . 53121 1 89 . 1 . 1 80 80 VAL HG22 H 1 0.988 . . . . . . . . 77 V HG2 . 53121 1 90 . 1 . 1 80 80 VAL HG23 H 1 0.988 . . . . . . . . 77 V HG2 . 53121 1 91 . 1 . 1 80 80 VAL CG1 C 13 22.654 . . . . . . . . 77 V CG1 . 53121 1 92 . 1 . 1 80 80 VAL CG2 C 13 23.841 . . . . . . . . 77 V CG2 . 53121 1 93 . 1 . 1 83 83 MET HE1 H 1 1.211 . . . . . . . . 80 M HE . 53121 1 94 . 1 . 1 83 83 MET HE2 H 1 1.211 . . . . . . . . 80 M HE . 53121 1 95 . 1 . 1 83 83 MET HE3 H 1 1.211 . . . . . . . . 80 M HE . 53121 1 96 . 1 . 1 83 83 MET CE C 13 15.817 . . . . . . . . 80 M CE . 53121 1 97 . 1 . 1 89 89 LEU HD11 H 1 0.437 . . . . . . . . 86 L HD1 . 53121 1 98 . 1 . 1 89 89 LEU HD12 H 1 0.437 . . . . . . . . 86 L HD1 . 53121 1 99 . 1 . 1 89 89 LEU HD13 H 1 0.437 . . . . . . . . 86 L HD1 . 53121 1 100 . 1 . 1 89 89 LEU CD1 C 13 25.039 . . . . . . . . 86 L CD1 . 53121 1 101 . 1 . 1 90 90 ILE HD11 H 1 0.528 . . . . . . . . 87 I HD1 . 53121 1 102 . 1 . 1 90 90 ILE HD12 H 1 0.528 . . . . . . . . 87 I HD1 . 53121 1 103 . 1 . 1 90 90 ILE HD13 H 1 0.528 . . . . . . . . 87 I HD1 . 53121 1 104 . 1 . 1 90 90 ILE CD1 C 13 11.675 . . . . . . . . 87 I CD1 . 53121 1 105 . 1 . 1 95 95 ALA HB1 H 1 0.943 . . . . . . . . 92 A HB . 53121 1 106 . 1 . 1 95 95 ALA HB2 H 1 0.943 . . . . . . . . 92 A HB . 53121 1 107 . 1 . 1 95 95 ALA HB3 H 1 0.943 . . . . . . . . 92 A HB . 53121 1 108 . 1 . 1 95 95 ALA CB C 13 19.192 . . . . . . . . 92 A CB . 53121 1 109 . 1 . 1 96 96 THR HG21 H 1 1.284 . . . . . . . . 93 T HG2 . 53121 1 110 . 1 . 1 96 96 THR HG22 H 1 1.284 . . . . . . . . 93 T HG2 . 53121 1 111 . 1 . 1 96 96 THR HG23 H 1 1.284 . . . . . . . . 93 T HG2 . 53121 1 112 . 1 . 1 96 96 THR CG2 C 13 23.007 . . . . . . . . 93 T CG2 . 53121 1 113 . 1 . 1 98 98 ALA HB1 H 1 1.514 . . . . . . . . 95 A HB . 53121 1 114 . 1 . 1 98 98 ALA HB2 H 1 1.514 . . . . . . . . 95 A HB . 53121 1 115 . 1 . 1 98 98 ALA HB3 H 1 1.514 . . . . . . . . 95 A HB . 53121 1 116 . 1 . 1 98 98 ALA CB C 13 18.493 . . . . . . . . 95 A CB . 53121 1 117 . 1 . 1 100 100 LEU HD11 H 1 0.515 . . . . . . . . 97 L HD1 . 53121 1 118 . 1 . 1 100 100 LEU HD12 H 1 0.515 . . . . . . . . 97 L HD1 . 53121 1 119 . 1 . 1 100 100 LEU HD13 H 1 0.515 . . . . . . . . 97 L HD1 . 53121 1 120 . 1 . 1 100 100 LEU HD21 H 1 0.374 . . . . . . . . 97 L HD2 . 53121 1 121 . 1 . 1 100 100 LEU HD22 H 1 0.374 . . . . . . . . 97 L HD2 . 53121 1 122 . 1 . 1 100 100 LEU HD23 H 1 0.374 . . . . . . . . 97 L HD2 . 53121 1 123 . 1 . 1 100 100 LEU CD1 C 13 25.616 . . . . . . . . 97 L CD1 . 53121 1 124 . 1 . 1 100 100 LEU CD2 C 13 23.590 . . . . . . . . 97 L CD2 . 53121 1 125 . 1 . 1 104 104 LEU HD11 H 1 -0.179 . . . . . . . . 101 L HD1 . 53121 1 126 . 1 . 1 104 104 LEU HD12 H 1 -0.179 . . . . . . . . 101 L HD1 . 53121 1 127 . 1 . 1 104 104 LEU HD13 H 1 -0.179 . . . . . . . . 101 L HD1 . 53121 1 128 . 1 . 1 104 104 LEU HD21 H 1 0.178 . . . . . . . . 101 L HD2 . 53121 1 129 . 1 . 1 104 104 LEU HD22 H 1 0.178 . . . . . . . . 101 L HD2 . 53121 1 130 . 1 . 1 104 104 LEU HD23 H 1 0.178 . . . . . . . . 101 L HD2 . 53121 1 131 . 1 . 1 104 104 LEU CD1 C 13 24.413 . . . . . . . . 101 L CD1 . 53121 1 132 . 1 . 1 104 104 LEU CD2 C 13 24.174 . . . . . . . . 101 L CD2 . 53121 1 133 . 1 . 1 109 109 VAL HG11 H 1 0.446 . . . . . . . . 106 V HG1 . 53121 1 134 . 1 . 1 109 109 VAL HG12 H 1 0.446 . . . . . . . . 106 V HG1 . 53121 1 135 . 1 . 1 109 109 VAL HG13 H 1 0.446 . . . . . . . . 106 V HG1 . 53121 1 136 . 1 . 1 109 109 VAL HG21 H 1 0.322 . . . . . . . . 106 V HG2 . 53121 1 137 . 1 . 1 109 109 VAL HG22 H 1 0.322 . . . . . . . . 106 V HG2 . 53121 1 138 . 1 . 1 109 109 VAL HG23 H 1 0.322 . . . . . . . . 106 V HG2 . 53121 1 139 . 1 . 1 109 109 VAL CG1 C 13 22.214 . . . . . . . . 106 V CG1 . 53121 1 140 . 1 . 1 109 109 VAL CG2 C 13 21.542 . . . . . . . . 106 V CG2 . 53121 1 141 . 1 . 1 111 111 LEU HD11 H 1 0.687 . . . . . . . . 108 L HD1 . 53121 1 142 . 1 . 1 111 111 LEU HD12 H 1 0.687 . . . . . . . . 108 L HD1 . 53121 1 143 . 1 . 1 111 111 LEU HD13 H 1 0.687 . . . . . . . . 108 L HD1 . 53121 1 144 . 1 . 1 111 111 LEU CD1 C 13 25.859 . . . . . . . . 108 L CD1 . 53121 1 145 . 1 . 1 115 115 LEU HD21 H 1 0.505 . . . . . . . . 112 L HD2 . 53121 1 146 . 1 . 1 115 115 LEU HD22 H 1 0.505 . . . . . . . . 112 L HD2 . 53121 1 147 . 1 . 1 115 115 LEU HD23 H 1 0.505 . . . . . . . . 112 L HD2 . 53121 1 148 . 1 . 1 115 115 LEU CD2 C 13 23.240 . . . . . . . . 112 L CD2 . 53121 1 149 . 1 . 1 118 118 MET HE1 H 1 1.792 . . . . . . . . 115 M HE . 53121 1 150 . 1 . 1 118 118 MET HE2 H 1 1.792 . . . . . . . . 115 M HE . 53121 1 151 . 1 . 1 118 118 MET HE3 H 1 1.792 . . . . . . . . 115 M HE . 53121 1 152 . 1 . 1 118 118 MET CE C 13 17.383 . . . . . . . . 115 M CE . 53121 1 153 . 1 . 1 122 122 THR HG21 H 1 1.063 . . . . . . . . 119 T HG2 . 53121 1 154 . 1 . 1 122 122 THR HG22 H 1 1.063 . . . . . . . . 119 T HG2 . 53121 1 155 . 1 . 1 122 122 THR HG23 H 1 1.063 . . . . . . . . 119 T HG2 . 53121 1 156 . 1 . 1 122 122 THR CG2 C 13 21.353 . . . . . . . . 119 T CG2 . 53121 1 157 . 1 . 1 133 133 ALA HB1 H 1 1.678 . . . . . . . . 130 A HB . 53121 1 158 . 1 . 1 133 133 ALA HB2 H 1 1.678 . . . . . . . . 130 A HB . 53121 1 159 . 1 . 1 133 133 ALA HB3 H 1 1.678 . . . . . . . . 130 A HB . 53121 1 160 . 1 . 1 133 133 ALA CB C 13 17.776 . . . . . . . . 130 A CB . 53121 1 161 . 1 . 1 134 134 ILE HG21 H 1 0.757 . . . . . . . . 131 I HG2 . 53121 1 162 . 1 . 1 134 134 ILE HG22 H 1 0.757 . . . . . . . . 131 I HG2 . 53121 1 163 . 1 . 1 134 134 ILE HG23 H 1 0.757 . . . . . . . . 131 I HG2 . 53121 1 164 . 1 . 1 134 134 ILE HD11 H 1 0.626 . . . . . . . . 131 I HD1 . 53121 1 165 . 1 . 1 134 134 ILE HD12 H 1 0.626 . . . . . . . . 131 I HD1 . 53121 1 166 . 1 . 1 134 134 ILE HD13 H 1 0.626 . . . . . . . . 131 I HD1 . 53121 1 167 . 1 . 1 134 134 ILE CG2 C 13 16.919 . . . . . . . . 131 I CG2 . 53121 1 168 . 1 . 1 134 134 ILE CD1 C 13 14.333 . . . . . . . . 131 I CD1 . 53121 1 169 . 1 . 1 137 137 ALA HB1 H 1 1.472 . . . . . . . . 134 A HB . 53121 1 170 . 1 . 1 137 137 ALA HB2 H 1 1.472 . . . . . . . . 134 A HB . 53121 1 171 . 1 . 1 137 137 ALA HB3 H 1 1.472 . . . . . . . . 134 A HB . 53121 1 172 . 1 . 1 137 137 ALA CB C 13 18.187 . . . . . . . . 134 A CB . 53121 1 173 . 1 . 1 140 140 LEU HD11 H 1 0.755 . . . . . . . . 137 L HD1 . 53121 1 174 . 1 . 1 140 140 LEU HD12 H 1 0.755 . . . . . . . . 137 L HD1 . 53121 1 175 . 1 . 1 140 140 LEU HD13 H 1 0.755 . . . . . . . . 137 L HD1 . 53121 1 176 . 1 . 1 140 140 LEU HD21 H 1 0.256 . . . . . . . . 137 L HD2 . 53121 1 177 . 1 . 1 140 140 LEU HD22 H 1 0.256 . . . . . . . . 137 L HD2 . 53121 1 178 . 1 . 1 140 140 LEU HD23 H 1 0.256 . . . . . . . . 137 L HD2 . 53121 1 179 . 1 . 1 140 140 LEU CD1 C 13 26.256 . . . . . . . . 137 L CD1 . 53121 1 180 . 1 . 1 140 140 LEU CD2 C 13 21.896 . . . . . . . . 137 L CD2 . 53121 1 181 . 1 . 1 143 143 ALA HB1 H 1 1.589 . . . . . . . . 140 A HB . 53121 1 182 . 1 . 1 143 143 ALA HB2 H 1 1.589 . . . . . . . . 140 A HB . 53121 1 183 . 1 . 1 143 143 ALA HB3 H 1 1.589 . . . . . . . . 140 A HB . 53121 1 184 . 1 . 1 143 143 ALA CB C 13 18.665 . . . . . . . . 140 A CB . 53121 1 185 . 1 . 1 148 148 ALA HB1 H 1 1.410 . . . . . . . . 145 A HB . 53121 1 186 . 1 . 1 148 148 ALA HB2 H 1 1.410 . . . . . . . . 145 A HB . 53121 1 187 . 1 . 1 148 148 ALA HB3 H 1 1.410 . . . . . . . . 145 A HB . 53121 1 188 . 1 . 1 148 148 ALA CB C 13 21.152 . . . . . . . . 145 A CB . 53121 1 189 . 1 . 1 164 164 ALA HB1 H 1 1.335 . . . . . . . . 161 A HB . 53121 1 190 . 1 . 1 164 164 ALA HB2 H 1 1.335 . . . . . . . . 161 A HB . 53121 1 191 . 1 . 1 164 164 ALA HB3 H 1 1.335 . . . . . . . . 161 A HB . 53121 1 192 . 1 . 1 164 164 ALA CB C 13 19.277 . . . . . . . . 161 A CB . 53121 1 193 . 1 . 1 174 174 VAL HG11 H 1 1.051 . . . . . . . . 171 V HG1 . 53121 1 194 . 1 . 1 174 174 VAL HG12 H 1 1.051 . . . . . . . . 171 V HG1 . 53121 1 195 . 1 . 1 174 174 VAL HG13 H 1 1.051 . . . . . . . . 171 V HG1 . 53121 1 196 . 1 . 1 174 174 VAL CG1 C 13 23.015 . . . . . . . . 171 V CG1 . 53121 1 197 . 1 . 1 177 177 VAL HG11 H 1 1.112 . . . . . . . . 174 V HG1 . 53121 1 198 . 1 . 1 177 177 VAL HG12 H 1 1.112 . . . . . . . . 174 V HG1 . 53121 1 199 . 1 . 1 177 177 VAL HG13 H 1 1.112 . . . . . . . . 174 V HG1 . 53121 1 200 . 1 . 1 177 177 VAL HG21 H 1 0.992 . . . . . . . . 174 V HG2 . 53121 1 201 . 1 . 1 177 177 VAL HG22 H 1 0.992 . . . . . . . . 174 V HG2 . 53121 1 202 . 1 . 1 177 177 VAL HG23 H 1 0.992 . . . . . . . . 174 V HG2 . 53121 1 203 . 1 . 1 177 177 VAL CG1 C 13 22.414 . . . . . . . . 174 V CG1 . 53121 1 204 . 1 . 1 177 177 VAL CG2 C 13 20.400 . . . . . . . . 174 V CG2 . 53121 1 205 . 1 . 1 179 179 ILE HG21 H 1 0.776 . . . . . . . . 176 I HG2 . 53121 1 206 . 1 . 1 179 179 ILE HG22 H 1 0.776 . . . . . . . . 176 I HG2 . 53121 1 207 . 1 . 1 179 179 ILE HG23 H 1 0.776 . . . . . . . . 176 I HG2 . 53121 1 208 . 1 . 1 179 179 ILE HD11 H 1 0.546 . . . . . . . . 176 I HD1 . 53121 1 209 . 1 . 1 179 179 ILE HD12 H 1 0.546 . . . . . . . . 176 I HD1 . 53121 1 210 . 1 . 1 179 179 ILE HD13 H 1 0.546 . . . . . . . . 176 I HD1 . 53121 1 211 . 1 . 1 179 179 ILE CG2 C 13 16.803 . . . . . . . . 176 I CG2 . 53121 1 212 . 1 . 1 179 179 ILE CD1 C 13 12.994 . . . . . . . . 176 I CD1 . 53121 1 213 . 1 . 1 180 180 THR HG21 H 1 1.209 . . . . . . . . 177 T HG2 . 53121 1 214 . 1 . 1 180 180 THR HG22 H 1 1.209 . . . . . . . . 177 T HG2 . 53121 1 215 . 1 . 1 180 180 THR HG23 H 1 1.209 . . . . . . . . 177 T HG2 . 53121 1 216 . 1 . 1 180 180 THR CG2 C 13 22.120 . . . . . . . . 177 T CG2 . 53121 1 217 . 1 . 1 183 183 LEU HD11 H 1 1.259 . . . . . . . . 180 L HD1 . 53121 1 218 . 1 . 1 183 183 LEU HD12 H 1 1.259 . . . . . . . . 180 L HD1 . 53121 1 219 . 1 . 1 183 183 LEU HD13 H 1 1.259 . . . . . . . . 180 L HD1 . 53121 1 220 . 1 . 1 183 183 LEU CD1 C 13 25.308 . . . . . . . . 180 L CD1 . 53121 1 221 . 1 . 1 186 186 LEU HD11 H 1 1.019 . . . . . . . . 183 L HD1 . 53121 1 222 . 1 . 1 186 186 LEU HD12 H 1 1.019 . . . . . . . . 183 L HD1 . 53121 1 223 . 1 . 1 186 186 LEU HD13 H 1 1.019 . . . . . . . . 183 L HD1 . 53121 1 224 . 1 . 1 186 186 LEU CD1 C 13 26.582 . . . . . . . . 183 L CD1 . 53121 1 225 . 1 . 1 191 191 VAL HG11 H 1 0.304 . . . . . . . . 188 V HG1 . 53121 1 226 . 1 . 1 191 191 VAL HG12 H 1 0.304 . . . . . . . . 188 V HG1 . 53121 1 227 . 1 . 1 191 191 VAL HG13 H 1 0.304 . . . . . . . . 188 V HG1 . 53121 1 228 . 1 . 1 191 191 VAL HG21 H 1 0.783 . . . . . . . . 188 V HG2 . 53121 1 229 . 1 . 1 191 191 VAL HG22 H 1 0.783 . . . . . . . . 188 V HG2 . 53121 1 230 . 1 . 1 191 191 VAL HG23 H 1 0.783 . . . . . . . . 188 V HG2 . 53121 1 231 . 1 . 1 191 191 VAL CG1 C 13 21.451 . . . . . . . . 188 V CG1 . 53121 1 232 . 1 . 1 191 191 VAL CG2 C 13 22.182 . . . . . . . . 188 V CG2 . 53121 1 233 . 1 . 1 194 194 ILE HG21 H 1 0.254 . . . . . . . . 191 I HG2 . 53121 1 234 . 1 . 1 194 194 ILE HG22 H 1 0.254 . . . . . . . . 191 I HG2 . 53121 1 235 . 1 . 1 194 194 ILE HG23 H 1 0.254 . . . . . . . . 191 I HG2 . 53121 1 236 . 1 . 1 194 194 ILE HD11 H 1 0.806 . . . . . . . . 191 I HD1 . 53121 1 237 . 1 . 1 194 194 ILE HD12 H 1 0.806 . . . . . . . . 191 I HD1 . 53121 1 238 . 1 . 1 194 194 ILE HD13 H 1 0.806 . . . . . . . . 191 I HD1 . 53121 1 239 . 1 . 1 194 194 ILE CG2 C 13 16.629 . . . . . . . . 191 I CG2 . 53121 1 240 . 1 . 1 194 194 ILE CD1 C 13 14.084 . . . . . . . . 191 I CD1 . 53121 1 241 . 1 . 1 206 206 THR HG21 H 1 -0.433 . . . . . . . . 203 T HG2 . 53121 1 242 . 1 . 1 206 206 THR HG22 H 1 -0.433 . . . . . . . . 203 T HG2 . 53121 1 243 . 1 . 1 206 206 THR HG23 H 1 -0.433 . . . . . . . . 203 T HG2 . 53121 1 244 . 1 . 1 206 206 THR CG2 C 13 19.829 . . . . . . . . 203 T CG2 . 53121 1 245 . 1 . 1 209 209 ALA HB1 H 1 1.157 . . . . . . . . 206 A HB . 53121 1 246 . 1 . 1 209 209 ALA HB2 H 1 1.157 . . . . . . . . 206 A HB . 53121 1 247 . 1 . 1 209 209 ALA HB3 H 1 1.157 . . . . . . . . 206 A HB . 53121 1 248 . 1 . 1 209 209 ALA CB C 13 18.491 . . . . . . . . 206 A CB . 53121 1 249 . 1 . 1 212 212 VAL HG11 H 1 0.378 . . . . . . . . 209 V HG1 . 53121 1 250 . 1 . 1 212 212 VAL HG12 H 1 0.378 . . . . . . . . 209 V HG1 . 53121 1 251 . 1 . 1 212 212 VAL HG13 H 1 0.378 . . . . . . . . 209 V HG1 . 53121 1 252 . 1 . 1 212 212 VAL CG1 C 13 20.834 . . . . . . . . 209 V CG1 . 53121 1 253 . 1 . 1 213 213 ILE HG21 H 1 -0.117 . . . . . . . . 210 I HG2 . 53121 1 254 . 1 . 1 213 213 ILE HG22 H 1 -0.117 . . . . . . . . 210 I HG2 . 53121 1 255 . 1 . 1 213 213 ILE HG23 H 1 -0.117 . . . . . . . . 210 I HG2 . 53121 1 256 . 1 . 1 213 213 ILE HD11 H 1 -0.106 . . . . . . . . 210 I HD1 . 53121 1 257 . 1 . 1 213 213 ILE HD12 H 1 -0.106 . . . . . . . . 210 I HD1 . 53121 1 258 . 1 . 1 213 213 ILE HD13 H 1 -0.106 . . . . . . . . 210 I HD1 . 53121 1 259 . 1 . 1 213 213 ILE CG2 C 13 17.505 . . . . . . . . 210 I CG2 . 53121 1 260 . 1 . 1 213 213 ILE CD1 C 13 13.923 . . . . . . . . 210 I CD1 . 53121 1 261 . 1 . 1 214 214 MET HE1 H 1 1.790 . . . . . . . . 211 M HE . 53121 1 262 . 1 . 1 214 214 MET HE2 H 1 1.790 . . . . . . . . 211 M HE . 53121 1 263 . 1 . 1 214 214 MET HE3 H 1 1.790 . . . . . . . . 211 M HE . 53121 1 264 . 1 . 1 214 214 MET CE C 13 16.728 . . . . . . . . 211 M CE . 53121 1 265 . 1 . 1 217 217 ILE HG21 H 1 0.464 . . . . . . . . 214 I HG2 . 53121 1 266 . 1 . 1 217 217 ILE HG22 H 1 0.464 . . . . . . . . 214 I HG2 . 53121 1 267 . 1 . 1 217 217 ILE HG23 H 1 0.464 . . . . . . . . 214 I HG2 . 53121 1 268 . 1 . 1 217 217 ILE HD11 H 1 0.102 . . . . . . . . 214 I HD1 . 53121 1 269 . 1 . 1 217 217 ILE HD12 H 1 0.102 . . . . . . . . 214 I HD1 . 53121 1 270 . 1 . 1 217 217 ILE HD13 H 1 0.102 . . . . . . . . 214 I HD1 . 53121 1 271 . 1 . 1 217 217 ILE CG2 C 13 17.276 . . . . . . . . 214 I CG2 . 53121 1 272 . 1 . 1 217 217 ILE CD1 C 13 14.440 . . . . . . . . 214 I CD1 . 53121 1 273 . 1 . 1 219 219 LEU HD11 H 1 0.764 . . . . . . . . 216 L HD1 . 53121 1 274 . 1 . 1 219 219 LEU HD12 H 1 0.764 . . . . . . . . 216 L HD1 . 53121 1 275 . 1 . 1 219 219 LEU HD13 H 1 0.764 . . . . . . . . 216 L HD1 . 53121 1 276 . 1 . 1 219 219 LEU HD21 H 1 0.725 . . . . . . . . 216 L HD2 . 53121 1 277 . 1 . 1 219 219 LEU HD22 H 1 0.725 . . . . . . . . 216 L HD2 . 53121 1 278 . 1 . 1 219 219 LEU HD23 H 1 0.725 . . . . . . . . 216 L HD2 . 53121 1 279 . 1 . 1 219 219 LEU CD1 C 13 24.870 . . . . . . . . 216 L CD1 . 53121 1 280 . 1 . 1 219 219 LEU CD2 C 13 23.703 . . . . . . . . 216 L CD2 . 53121 1 281 . 1 . 1 222 222 ALA HB1 H 1 1.432 . . . . . . . . 219 A HB . 53121 1 282 . 1 . 1 222 222 ALA HB2 H 1 1.432 . . . . . . . . 219 A HB . 53121 1 283 . 1 . 1 222 222 ALA HB3 H 1 1.432 . . . . . . . . 219 A HB . 53121 1 284 . 1 . 1 222 222 ALA CB C 13 19.223 . . . . . . . . 219 A CB . 53121 1 285 . 1 . 1 229 229 ILE HG21 H 1 0.956 . . . . . . . . 226 I HG2 . 53121 1 286 . 1 . 1 229 229 ILE HG22 H 1 0.956 . . . . . . . . 226 I HG2 . 53121 1 287 . 1 . 1 229 229 ILE HG23 H 1 0.956 . . . . . . . . 226 I HG2 . 53121 1 288 . 1 . 1 229 229 ILE HD11 H 1 0.464 . . . . . . . . 226 I HD1 . 53121 1 289 . 1 . 1 229 229 ILE HD12 H 1 0.464 . . . . . . . . 226 I HD1 . 53121 1 290 . 1 . 1 229 229 ILE HD13 H 1 0.464 . . . . . . . . 226 I HD1 . 53121 1 291 . 1 . 1 229 229 ILE CG2 C 13 16.877 . . . . . . . . 226 I CG2 . 53121 1 292 . 1 . 1 229 229 ILE CD1 C 13 13.325 . . . . . . . . 226 I CD1 . 53121 1 293 . 1 . 1 233 233 LEU HD21 H 1 0.233 . . . . . . . . 230 L HD2 . 53121 1 294 . 1 . 1 233 233 LEU HD22 H 1 0.233 . . . . . . . . 230 L HD2 . 53121 1 295 . 1 . 1 233 233 LEU HD23 H 1 0.233 . . . . . . . . 230 L HD2 . 53121 1 296 . 1 . 1 233 233 LEU CD2 C 13 25.866 . . . . . . . . 230 L CD2 . 53121 1 297 . 1 . 1 234 234 MET HE1 H 1 1.580 . . . . . . . . 231 M HE . 53121 1 298 . 1 . 1 234 234 MET HE2 H 1 1.580 . . . . . . . . 231 M HE . 53121 1 299 . 1 . 1 234 234 MET HE3 H 1 1.580 . . . . . . . . 231 M HE . 53121 1 300 . 1 . 1 234 234 MET CE C 13 18.065 . . . . . . . . 231 M CE . 53121 1 301 . 1 . 1 235 235 ALA HB1 H 1 1.395 . . . . . . . . 232 A HB . 53121 1 302 . 1 . 1 235 235 ALA HB2 H 1 1.395 . . . . . . . . 232 A HB . 53121 1 303 . 1 . 1 235 235 ALA HB3 H 1 1.395 . . . . . . . . 232 A HB . 53121 1 304 . 1 . 1 235 235 ALA CB C 13 22.184 . . . . . . . . 232 A CB . 53121 1 305 . 1 . 1 237 237 VAL HG11 H 1 0.939 . . . . . . . . 234 V HG1 . 53121 1 306 . 1 . 1 237 237 VAL HG12 H 1 0.939 . . . . . . . . 234 V HG1 . 53121 1 307 . 1 . 1 237 237 VAL HG13 H 1 0.939 . . . . . . . . 234 V HG1 . 53121 1 308 . 1 . 1 237 237 VAL CG1 C 13 23.081 . . . . . . . . 234 V CG1 . 53121 1 stop_ save_