data_53120 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53120 _Entry.Title ; Methyl resonance assignments of AILV in BAP1-UCH WT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-11 _Entry.Accession_date 2025-06-11 _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 3.2.0.16 _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 . . . . 53120 2 Chih-Hsuan Lai . . . . 53120 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53120 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 72 53120 '1H chemical shifts' 216 53120 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 . 53120 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53120 _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. . . 53120 1 2 Yuan-Chao Lou Y. C. . . 53120 1 3 Chi-Fon Chang C. F. . . 53120 1 4 Wei-Lin Lu W. L. . . 53120 1 5 'Manoj Kumar' Sriramoju M. K. . . 53120 1 6 Yong-Sheng Wang Y. S. . . 53120 1 7 Kuen-Phon Wu K. P. . . 53120 1 8 Carlo Camilloni C. . . . 53120 1 9 'Shang-Te Danny' Hsu S. D. . . 53120 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53120 _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 . . . 53120 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53120 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BAP1-UCH_WT _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; MNKGWLELESDPGLFTLLVE DFGVKGVQVEEIYDLQSKCQ GPVYGFIFLFKWIEERRSRR KVSTLVDDTSVIDDDIVNNM FFAHQLIPNSCATHALLSVL LNCSSVDLGPTLSRMKDFTK GFSPESKGYAIGNAPELAKA HNSHARPEPRHLPEKQNGLS AVRTMEAFHFVSYVPITGRL FELDGLKVYPIDHGPWGEDE EWTDKARRVIMERIGLATAG EPYHDIRFNLMAVVPDRR ; _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 238 _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 1 MET . 53120 1 2 2 ASN . 53120 1 3 3 LYS . 53120 1 4 4 GLY . 53120 1 5 5 TRP . 53120 1 6 6 LEU . 53120 1 7 7 GLU . 53120 1 8 8 LEU . 53120 1 9 9 GLU . 53120 1 10 10 SER . 53120 1 11 11 ASP . 53120 1 12 12 PRO . 53120 1 13 13 GLY . 53120 1 14 14 LEU . 53120 1 15 15 PHE . 53120 1 16 16 THR . 53120 1 17 17 LEU . 53120 1 18 18 LEU . 53120 1 19 19 VAL . 53120 1 20 20 GLU . 53120 1 21 21 ASP . 53120 1 22 22 PHE . 53120 1 23 23 GLY . 53120 1 24 24 VAL . 53120 1 25 25 LYS . 53120 1 26 26 GLY . 53120 1 27 27 VAL . 53120 1 28 28 GLN . 53120 1 29 29 VAL . 53120 1 30 30 GLU . 53120 1 31 31 GLU . 53120 1 32 32 ILE . 53120 1 33 33 TYR . 53120 1 34 34 ASP . 53120 1 35 35 LEU . 53120 1 36 36 GLN . 53120 1 37 37 SER . 53120 1 38 38 LYS . 53120 1 39 39 CYS . 53120 1 40 40 GLN . 53120 1 41 41 GLY . 53120 1 42 42 PRO . 53120 1 43 43 VAL . 53120 1 44 44 TYR . 53120 1 45 45 GLY . 53120 1 46 46 PHE . 53120 1 47 47 ILE . 53120 1 48 48 PHE . 53120 1 49 49 LEU . 53120 1 50 50 PHE . 53120 1 51 51 LYS . 53120 1 52 52 TRP . 53120 1 53 53 ILE . 53120 1 54 54 GLU . 53120 1 55 55 GLU . 53120 1 56 56 ARG . 53120 1 57 57 ARG . 53120 1 58 58 SER . 53120 1 59 59 ARG . 53120 1 60 60 ARG . 53120 1 61 61 LYS . 53120 1 62 62 VAL . 53120 1 63 63 SER . 53120 1 64 64 THR . 53120 1 65 65 LEU . 53120 1 66 66 VAL . 53120 1 67 67 ASP . 53120 1 68 68 ASP . 53120 1 69 69 THR . 53120 1 70 70 SER . 53120 1 71 71 VAL . 53120 1 72 72 ILE . 53120 1 73 73 ASP . 53120 1 74 74 ASP . 53120 1 75 75 ASP . 53120 1 76 76 ILE . 53120 1 77 77 VAL . 53120 1 78 78 ASN . 53120 1 79 79 ASN . 53120 1 80 80 MET . 53120 1 81 81 PHE . 53120 1 82 82 PHE . 53120 1 83 83 ALA . 53120 1 84 84 HIS . 53120 1 85 85 GLN . 53120 1 86 86 LEU . 53120 1 87 87 ILE . 53120 1 88 88 PRO . 53120 1 89 89 ASN . 53120 1 90 90 SER . 53120 1 91 91 CYS . 53120 1 92 92 ALA . 53120 1 93 93 THR . 53120 1 94 94 HIS . 53120 1 95 95 ALA . 53120 1 96 96 LEU . 53120 1 97 97 LEU . 53120 1 98 98 SER . 53120 1 99 99 VAL . 53120 1 100 100 LEU . 53120 1 101 101 LEU . 53120 1 102 102 ASN . 53120 1 103 103 CYS . 53120 1 104 104 SER . 53120 1 105 105 SER . 53120 1 106 106 VAL . 53120 1 107 107 ASP . 53120 1 108 108 LEU . 53120 1 109 109 GLY . 53120 1 110 110 PRO . 53120 1 111 111 THR . 53120 1 112 112 LEU . 53120 1 113 113 SER . 53120 1 114 114 ARG . 53120 1 115 115 MET . 53120 1 116 116 LYS . 53120 1 117 117 ASP . 53120 1 118 118 PHE . 53120 1 119 119 THR . 53120 1 120 120 LYS . 53120 1 121 121 GLY . 53120 1 122 122 PHE . 53120 1 123 123 SER . 53120 1 124 124 PRO . 53120 1 125 125 GLU . 53120 1 126 126 SER . 53120 1 127 127 LYS . 53120 1 128 128 GLY . 53120 1 129 129 TYR . 53120 1 130 130 ALA . 53120 1 131 131 ILE . 53120 1 132 132 GLY . 53120 1 133 133 ASN . 53120 1 134 134 ALA . 53120 1 135 135 PRO . 53120 1 136 136 GLU . 53120 1 137 137 LEU . 53120 1 138 138 ALA . 53120 1 139 139 LYS . 53120 1 140 140 ALA . 53120 1 141 141 HIS . 53120 1 142 142 ASN . 53120 1 143 143 SER . 53120 1 144 144 HIS . 53120 1 145 145 ALA . 53120 1 146 146 ARG . 53120 1 147 147 PRO . 53120 1 148 148 GLU . 53120 1 149 149 PRO . 53120 1 150 150 ARG . 53120 1 151 151 HIS . 53120 1 152 152 LEU . 53120 1 153 153 PRO . 53120 1 154 154 GLU . 53120 1 155 155 LYS . 53120 1 156 156 GLN . 53120 1 157 157 ASN . 53120 1 158 158 GLY . 53120 1 159 159 LEU . 53120 1 160 160 SER . 53120 1 161 161 ALA . 53120 1 162 162 VAL . 53120 1 163 163 ARG . 53120 1 164 164 THR . 53120 1 165 165 MET . 53120 1 166 166 GLU . 53120 1 167 167 ALA . 53120 1 168 168 PHE . 53120 1 169 169 HIS . 53120 1 170 170 PHE . 53120 1 171 171 VAL . 53120 1 172 172 SER . 53120 1 173 173 TYR . 53120 1 174 174 VAL . 53120 1 175 175 PRO . 53120 1 176 176 ILE . 53120 1 177 177 THR . 53120 1 178 178 GLY . 53120 1 179 179 ARG . 53120 1 180 180 LEU . 53120 1 181 181 PHE . 53120 1 182 182 GLU . 53120 1 183 183 LEU . 53120 1 184 184 ASP . 53120 1 185 185 GLY . 53120 1 186 186 LEU . 53120 1 187 187 LYS . 53120 1 188 188 VAL . 53120 1 189 189 TYR . 53120 1 190 190 PRO . 53120 1 191 191 ILE . 53120 1 192 192 ASP . 53120 1 193 193 HIS . 53120 1 194 194 GLY . 53120 1 195 195 PRO . 53120 1 196 196 TRP . 53120 1 197 197 GLY . 53120 1 198 198 GLU . 53120 1 199 199 ASP . 53120 1 200 200 GLU . 53120 1 201 201 GLU . 53120 1 202 202 TRP . 53120 1 203 203 THR . 53120 1 204 204 ASP . 53120 1 205 205 LYS . 53120 1 206 206 ALA . 53120 1 207 207 ARG . 53120 1 208 208 ARG . 53120 1 209 209 VAL . 53120 1 210 210 ILE . 53120 1 211 211 MET . 53120 1 212 212 GLU . 53120 1 213 213 ARG . 53120 1 214 214 ILE . 53120 1 215 215 GLY . 53120 1 216 216 LEU . 53120 1 217 217 ALA . 53120 1 218 218 THR . 53120 1 219 219 ALA . 53120 1 220 220 GLY . 53120 1 221 221 GLU . 53120 1 222 222 PRO . 53120 1 223 223 TYR . 53120 1 224 224 HIS . 53120 1 225 225 ASP . 53120 1 226 226 ILE . 53120 1 227 227 ARG . 53120 1 228 228 PHE . 53120 1 229 229 ASN . 53120 1 230 230 LEU . 53120 1 231 231 MET . 53120 1 232 232 ALA . 53120 1 233 233 VAL . 53120 1 234 234 VAL . 53120 1 235 235 PRO . 53120 1 236 236 ASP . 53120 1 237 237 ARG . 53120 1 238 238 ARG . 53120 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53120 1 . ASN 2 2 53120 1 . LYS 3 3 53120 1 . GLY 4 4 53120 1 . TRP 5 5 53120 1 . LEU 6 6 53120 1 . GLU 7 7 53120 1 . LEU 8 8 53120 1 . GLU 9 9 53120 1 . SER 10 10 53120 1 . ASP 11 11 53120 1 . PRO 12 12 53120 1 . GLY 13 13 53120 1 . LEU 14 14 53120 1 . PHE 15 15 53120 1 . THR 16 16 53120 1 . LEU 17 17 53120 1 . LEU 18 18 53120 1 . VAL 19 19 53120 1 . GLU 20 20 53120 1 . ASP 21 21 53120 1 . PHE 22 22 53120 1 . GLY 23 23 53120 1 . VAL 24 24 53120 1 . LYS 25 25 53120 1 . GLY 26 26 53120 1 . VAL 27 27 53120 1 . GLN 28 28 53120 1 . VAL 29 29 53120 1 . GLU 30 30 53120 1 . GLU 31 31 53120 1 . ILE 32 32 53120 1 . TYR 33 33 53120 1 . ASP 34 34 53120 1 . LEU 35 35 53120 1 . GLN 36 36 53120 1 . SER 37 37 53120 1 . LYS 38 38 53120 1 . CYS 39 39 53120 1 . GLN 40 40 53120 1 . GLY 41 41 53120 1 . PRO 42 42 53120 1 . VAL 43 43 53120 1 . TYR 44 44 53120 1 . GLY 45 45 53120 1 . PHE 46 46 53120 1 . ILE 47 47 53120 1 . PHE 48 48 53120 1 . LEU 49 49 53120 1 . PHE 50 50 53120 1 . LYS 51 51 53120 1 . TRP 52 52 53120 1 . ILE 53 53 53120 1 . GLU 54 54 53120 1 . GLU 55 55 53120 1 . ARG 56 56 53120 1 . ARG 57 57 53120 1 . SER 58 58 53120 1 . ARG 59 59 53120 1 . ARG 60 60 53120 1 . LYS 61 61 53120 1 . VAL 62 62 53120 1 . SER 63 63 53120 1 . THR 64 64 53120 1 . LEU 65 65 53120 1 . VAL 66 66 53120 1 . ASP 67 67 53120 1 . ASP 68 68 53120 1 . THR 69 69 53120 1 . SER 70 70 53120 1 . VAL 71 71 53120 1 . ILE 72 72 53120 1 . ASP 73 73 53120 1 . ASP 74 74 53120 1 . ASP 75 75 53120 1 . ILE 76 76 53120 1 . VAL 77 77 53120 1 . ASN 78 78 53120 1 . ASN 79 79 53120 1 . MET 80 80 53120 1 . PHE 81 81 53120 1 . PHE 82 82 53120 1 . ALA 83 83 53120 1 . HIS 84 84 53120 1 . GLN 85 85 53120 1 . LEU 86 86 53120 1 . ILE 87 87 53120 1 . PRO 88 88 53120 1 . ASN 89 89 53120 1 . SER 90 90 53120 1 . CYS 91 91 53120 1 . ALA 92 92 53120 1 . THR 93 93 53120 1 . HIS 94 94 53120 1 . ALA 95 95 53120 1 . LEU 96 96 53120 1 . LEU 97 97 53120 1 . SER 98 98 53120 1 . VAL 99 99 53120 1 . LEU 100 100 53120 1 . LEU 101 101 53120 1 . ASN 102 102 53120 1 . CYS 103 103 53120 1 . SER 104 104 53120 1 . SER 105 105 53120 1 . VAL 106 106 53120 1 . ASP 107 107 53120 1 . LEU 108 108 53120 1 . GLY 109 109 53120 1 . PRO 110 110 53120 1 . THR 111 111 53120 1 . LEU 112 112 53120 1 . SER 113 113 53120 1 . ARG 114 114 53120 1 . MET 115 115 53120 1 . LYS 116 116 53120 1 . ASP 117 117 53120 1 . PHE 118 118 53120 1 . THR 119 119 53120 1 . LYS 120 120 53120 1 . GLY 121 121 53120 1 . PHE 122 122 53120 1 . SER 123 123 53120 1 . PRO 124 124 53120 1 . GLU 125 125 53120 1 . SER 126 126 53120 1 . LYS 127 127 53120 1 . GLY 128 128 53120 1 . TYR 129 129 53120 1 . ALA 130 130 53120 1 . ILE 131 131 53120 1 . GLY 132 132 53120 1 . ASN 133 133 53120 1 . ALA 134 134 53120 1 . PRO 135 135 53120 1 . GLU 136 136 53120 1 . LEU 137 137 53120 1 . ALA 138 138 53120 1 . LYS 139 139 53120 1 . ALA 140 140 53120 1 . HIS 141 141 53120 1 . ASN 142 142 53120 1 . SER 143 143 53120 1 . HIS 144 144 53120 1 . ALA 145 145 53120 1 . ARG 146 146 53120 1 . PRO 147 147 53120 1 . GLU 148 148 53120 1 . PRO 149 149 53120 1 . ARG 150 150 53120 1 . HIS 151 151 53120 1 . LEU 152 152 53120 1 . PRO 153 153 53120 1 . GLU 154 154 53120 1 . LYS 155 155 53120 1 . GLN 156 156 53120 1 . ASN 157 157 53120 1 . GLY 158 158 53120 1 . LEU 159 159 53120 1 . SER 160 160 53120 1 . ALA 161 161 53120 1 . VAL 162 162 53120 1 . ARG 163 163 53120 1 . THR 164 164 53120 1 . MET 165 165 53120 1 . GLU 166 166 53120 1 . ALA 167 167 53120 1 . PHE 168 168 53120 1 . HIS 169 169 53120 1 . PHE 170 170 53120 1 . VAL 171 171 53120 1 . SER 172 172 53120 1 . TYR 173 173 53120 1 . VAL 174 174 53120 1 . PRO 175 175 53120 1 . ILE 176 176 53120 1 . THR 177 177 53120 1 . GLY 178 178 53120 1 . ARG 179 179 53120 1 . LEU 180 180 53120 1 . PHE 181 181 53120 1 . GLU 182 182 53120 1 . LEU 183 183 53120 1 . ASP 184 184 53120 1 . GLY 185 185 53120 1 . LEU 186 186 53120 1 . LYS 187 187 53120 1 . VAL 188 188 53120 1 . TYR 189 189 53120 1 . PRO 190 190 53120 1 . ILE 191 191 53120 1 . ASP 192 192 53120 1 . HIS 193 193 53120 1 . GLY 194 194 53120 1 . PRO 195 195 53120 1 . TRP 196 196 53120 1 . GLY 197 197 53120 1 . GLU 198 198 53120 1 . ASP 199 199 53120 1 . GLU 200 200 53120 1 . GLU 201 201 53120 1 . TRP 202 202 53120 1 . THR 203 203 53120 1 . ASP 204 204 53120 1 . LYS 205 205 53120 1 . ALA 206 206 53120 1 . ARG 207 207 53120 1 . ARG 208 208 53120 1 . VAL 209 209 53120 1 . ILE 210 210 53120 1 . MET 211 211 53120 1 . GLU 212 212 53120 1 . ARG 213 213 53120 1 . ILE 214 214 53120 1 . GLY 215 215 53120 1 . LEU 216 216 53120 1 . ALA 217 217 53120 1 . THR 218 218 53120 1 . ALA 219 219 53120 1 . GLY 220 220 53120 1 . GLU 221 221 53120 1 . PRO 222 222 53120 1 . TYR 223 223 53120 1 . HIS 224 224 53120 1 . ASP 225 225 53120 1 . ILE 226 226 53120 1 . ARG 227 227 53120 1 . PHE 228 228 53120 1 . ASN 229 229 53120 1 . LEU 230 230 53120 1 . MET 231 231 53120 1 . ALA 232 232 53120 1 . VAL 233 233 53120 1 . VAL 234 234 53120 1 . PRO 235 235 53120 1 . ASP 236 236 53120 1 . ARG 237 237 53120 1 . ARG 238 238 53120 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 53120 _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 . . . . . . . . . . . . . 53120 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 53120 _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)' . . 469008 Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28a . . . 53120 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53120 _Sample.ID 1 _Sample.Name '[U-2H, 13Cm/1Hm-Ala-b, Ile-d1, Leu-d1/d2, Val-g1/g2] BAP1-UCH_WT' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BAP1-UCH_WT '[U-2H, 13Cm/1Hm-Ala-b, Ile-d1, Leu-d1/d2, Val-g1/g2]' 1 $assembly_1 1 $entity_1 . protein 120 . . uM . . . . 53120 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 53120 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 53120 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53120 _Sample.ID 2 _Sample.Name '[U-2H, 13Cm/1Hm-Ala-b, Ile-d1, Leu-d2, Val-g2] BAP1-UCH_WT' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'stereospecific labeling on L-proS and V-proS' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BAP1-UCH_WT '[U-2H, 13Cm/1Hm-Ala-b, Ile-d1, Leu-d2, Val-g2]' 1 $assembly_1 1 $entity_1 . protein 153 . . uM . . . . 53120 2 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 53120 2 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 53120 2 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 53120 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MOPS buffer' _Sample_condition_list.Details '50mM MOPS (pH7.0), 50 mM NaCl, 2 (v/v) % glycerol (1,1,2,3,3-D5, 99%)' 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 pH 7.0 . pH 53120 1 pressure 1 . atm 53120 1 temperature 298 . K 53120 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53120 _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 . 53120 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53120 _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 . 53120 2 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53120 _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' . 53120 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 53120 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 53120 _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 . . . . . . . . . . . . . . . . . 53120 1 2 '3D 1H-13C NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53120 1 3 '2D 1H-13C HMQC' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53120 1 4 '3D 1H-13C NOESY' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53120 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 53120 _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 . . . . . 53120 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 53120 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 53120 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Methyl resonance assignment of AILV 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' 1 $sample_1 isotropic 53120 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 53120 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 . . 53120 1 2 $software_3 . . 53120 1 3 $software_2 . . 53120 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 6 6 LEU HD11 H 1 0.825 . . 2 . . . . . 6 L HD1 . 53120 1 2 . 1 . 1 6 6 LEU HD12 H 1 0.825 . . 2 . . . . . 6 L HD1 . 53120 1 3 . 1 . 1 6 6 LEU HD13 H 1 0.825 . . 2 . . . . . 6 L HD1 . 53120 1 4 . 1 . 1 6 6 LEU HD21 H 1 0.803 . . 2 . . . . . 6 L HD2 . 53120 1 5 . 1 . 1 6 6 LEU HD22 H 1 0.803 . . 2 . . . . . 6 L HD2 . 53120 1 6 . 1 . 1 6 6 LEU HD23 H 1 0.803 . . 2 . . . . . 6 L HD2 . 53120 1 7 . 1 . 1 6 6 LEU CD1 C 13 25.419 . . 2 . . . . . 6 L CD1 . 53120 1 8 . 1 . 1 6 6 LEU CD2 C 13 22.128 . . 2 . . . . . 6 L CD2 . 53120 1 9 . 1 . 1 8 8 LEU HD11 H 1 0.310 . . 2 . . . . . 8 L HD1 . 53120 1 10 . 1 . 1 8 8 LEU HD12 H 1 0.310 . . 2 . . . . . 8 L HD1 . 53120 1 11 . 1 . 1 8 8 LEU HD13 H 1 0.310 . . 2 . . . . . 8 L HD1 . 53120 1 12 . 1 . 1 8 8 LEU HD21 H 1 0.514 . . 2 . . . . . 8 L HD2 . 53120 1 13 . 1 . 1 8 8 LEU HD22 H 1 0.514 . . 2 . . . . . 8 L HD2 . 53120 1 14 . 1 . 1 8 8 LEU HD23 H 1 0.514 . . 2 . . . . . 8 L HD2 . 53120 1 15 . 1 . 1 8 8 LEU CD1 C 13 24.748 . . 2 . . . . . 8 L CD1 . 53120 1 16 . 1 . 1 8 8 LEU CD2 C 13 22.476 . . 2 . . . . . 8 L CD2 . 53120 1 17 . 1 . 1 14 14 LEU HD11 H 1 0.940 . . 2 . . . . . 14 L HD1 . 53120 1 18 . 1 . 1 14 14 LEU HD12 H 1 0.940 . . 2 . . . . . 14 L HD1 . 53120 1 19 . 1 . 1 14 14 LEU HD13 H 1 0.940 . . 2 . . . . . 14 L HD1 . 53120 1 20 . 1 . 1 14 14 LEU HD21 H 1 0.823 . . 2 . . . . . 14 L HD2 . 53120 1 21 . 1 . 1 14 14 LEU HD22 H 1 0.823 . . 2 . . . . . 14 L HD2 . 53120 1 22 . 1 . 1 14 14 LEU HD23 H 1 0.823 . . 2 . . . . . 14 L HD2 . 53120 1 23 . 1 . 1 14 14 LEU CD1 C 13 25.598 . . 2 . . . . . 14 L CD1 . 53120 1 24 . 1 . 1 14 14 LEU CD2 C 13 24.746 . . 2 . . . . . 14 L CD2 . 53120 1 25 . 1 . 1 18 18 LEU HD11 H 1 0.533 . . 2 . . . . . 18 L HD1 . 53120 1 26 . 1 . 1 18 18 LEU HD12 H 1 0.533 . . 2 . . . . . 18 L HD1 . 53120 1 27 . 1 . 1 18 18 LEU HD13 H 1 0.533 . . 2 . . . . . 18 L HD1 . 53120 1 28 . 1 . 1 18 18 LEU HD21 H 1 0.597 . . 2 . . . . . 18 L HD2 . 53120 1 29 . 1 . 1 18 18 LEU HD22 H 1 0.597 . . 2 . . . . . 18 L HD2 . 53120 1 30 . 1 . 1 18 18 LEU HD23 H 1 0.597 . . 2 . . . . . 18 L HD2 . 53120 1 31 . 1 . 1 18 18 LEU CD1 C 13 24.674 . . 2 . . . . . 18 L CD1 . 53120 1 32 . 1 . 1 18 18 LEU CD2 C 13 24.269 . . 2 . . . . . 18 L CD2 . 53120 1 33 . 1 . 1 24 24 VAL HG11 H 1 0.699 . . 2 . . . . . 24 V HG1 . 53120 1 34 . 1 . 1 24 24 VAL HG12 H 1 0.699 . . 2 . . . . . 24 V HG1 . 53120 1 35 . 1 . 1 24 24 VAL HG13 H 1 0.699 . . 2 . . . . . 24 V HG1 . 53120 1 36 . 1 . 1 24 24 VAL CG1 C 13 21.806 . . 2 . . . . . 24 V CG1 . 53120 1 37 . 1 . 1 32 32 ILE HD11 H 1 0.630 . . 1 . . . . . 32 I HD1 . 53120 1 38 . 1 . 1 32 32 ILE HD12 H 1 0.630 . . 1 . . . . . 32 I HD1 . 53120 1 39 . 1 . 1 32 32 ILE HD13 H 1 0.630 . . 1 . . . . . 32 I HD1 . 53120 1 40 . 1 . 1 32 32 ILE CD1 C 13 10.983 . . 1 . . . . . 32 I CD1 . 53120 1 41 . 1 . 1 35 35 LEU HD11 H 1 0.680 . . 2 . . . . . 35 L HD1 . 53120 1 42 . 1 . 1 35 35 LEU HD12 H 1 0.680 . . 2 . . . . . 35 L HD1 . 53120 1 43 . 1 . 1 35 35 LEU HD13 H 1 0.680 . . 2 . . . . . 35 L HD1 . 53120 1 44 . 1 . 1 35 35 LEU HD21 H 1 0.563 . . 2 . . . . . 35 L HD2 . 53120 1 45 . 1 . 1 35 35 LEU HD22 H 1 0.563 . . 2 . . . . . 35 L HD2 . 53120 1 46 . 1 . 1 35 35 LEU HD23 H 1 0.563 . . 2 . . . . . 35 L HD2 . 53120 1 47 . 1 . 1 35 35 LEU CD1 C 13 24.964 . . 2 . . . . . 35 L CD1 . 53120 1 48 . 1 . 1 35 35 LEU CD2 C 13 24.854 . . 2 . . . . . 35 L CD2 . 53120 1 49 . 1 . 1 43 43 VAL HG21 H 1 0.671 . . 2 . . . . . 43 V HG2 . 53120 1 50 . 1 . 1 43 43 VAL HG22 H 1 0.671 . . 2 . . . . . 43 V HG2 . 53120 1 51 . 1 . 1 43 43 VAL HG23 H 1 0.671 . . 2 . . . . . 43 V HG2 . 53120 1 52 . 1 . 1 43 43 VAL CG2 C 13 21.578 . . 2 . . . . . 43 V CG2 . 53120 1 53 . 1 . 1 49 49 LEU HD11 H 1 0.178 . . 2 . . . . . 49 L HD1 . 53120 1 54 . 1 . 1 49 49 LEU HD12 H 1 0.178 . . 2 . . . . . 49 L HD1 . 53120 1 55 . 1 . 1 49 49 LEU HD13 H 1 0.178 . . 2 . . . . . 49 L HD1 . 53120 1 56 . 1 . 1 49 49 LEU HD21 H 1 0.326 . . 2 . . . . . 49 L HD2 . 53120 1 57 . 1 . 1 49 49 LEU HD22 H 1 0.326 . . 2 . . . . . 49 L HD2 . 53120 1 58 . 1 . 1 49 49 LEU HD23 H 1 0.326 . . 2 . . . . . 49 L HD2 . 53120 1 59 . 1 . 1 49 49 LEU CD1 C 13 25.132 . . 2 . . . . . 49 L CD1 . 53120 1 60 . 1 . 1 49 49 LEU CD2 C 13 26.786 . . 2 . . . . . 49 L CD2 . 53120 1 61 . 1 . 1 53 53 ILE HD11 H 1 0.778 . . 1 . . . . . 53 I HD1 . 53120 1 62 . 1 . 1 53 53 ILE HD12 H 1 0.778 . . 1 . . . . . 53 I HD1 . 53120 1 63 . 1 . 1 53 53 ILE HD13 H 1 0.778 . . 1 . . . . . 53 I HD1 . 53120 1 64 . 1 . 1 53 53 ILE CD1 C 13 12.348 . . 1 . . . . . 53 I CD1 . 53120 1 65 . 1 . 1 71 71 VAL HG11 H 1 0.804 . . 2 . . . . . 71 V HG1 . 53120 1 66 . 1 . 1 71 71 VAL HG12 H 1 0.804 . . 2 . . . . . 71 V HG1 . 53120 1 67 . 1 . 1 71 71 VAL HG13 H 1 0.804 . . 2 . . . . . 71 V HG1 . 53120 1 68 . 1 . 1 71 71 VAL HG21 H 1 0.824 . . 2 . . . . . 71 V HG2 . 53120 1 69 . 1 . 1 71 71 VAL HG22 H 1 0.824 . . 2 . . . . . 71 V HG2 . 53120 1 70 . 1 . 1 71 71 VAL HG23 H 1 0.824 . . 2 . . . . . 71 V HG2 . 53120 1 71 . 1 . 1 71 71 VAL CG1 C 13 20.774 . . 2 . . . . . 71 V CG1 . 53120 1 72 . 1 . 1 71 71 VAL CG2 C 13 21.343 . . 2 . . . . . 71 V CG2 . 53120 1 73 . 1 . 1 72 72 ILE HD11 H 1 0.660 . . 1 . . . . . 72 I HD1 . 53120 1 74 . 1 . 1 72 72 ILE HD12 H 1 0.660 . . 1 . . . . . 72 I HD1 . 53120 1 75 . 1 . 1 72 72 ILE HD13 H 1 0.660 . . 1 . . . . . 72 I HD1 . 53120 1 76 . 1 . 1 72 72 ILE CD1 C 13 13.123 . . 1 . . . . . 72 I CD1 . 53120 1 77 . 1 . 1 76 76 ILE HD11 H 1 0.845 . . 1 . . . . . 76 I HD1 . 53120 1 78 . 1 . 1 76 76 ILE HD12 H 1 0.845 . . 1 . . . . . 76 I HD1 . 53120 1 79 . 1 . 1 76 76 ILE HD13 H 1 0.845 . . 1 . . . . . 76 I HD1 . 53120 1 80 . 1 . 1 76 76 ILE CD1 C 13 12.306 . . 1 . . . . . 76 I CD1 . 53120 1 81 . 1 . 1 77 77 VAL HG11 H 1 1.121 . . 2 . . . . . 77 V HG1 . 53120 1 82 . 1 . 1 77 77 VAL HG12 H 1 1.121 . . 2 . . . . . 77 V HG1 . 53120 1 83 . 1 . 1 77 77 VAL HG13 H 1 1.121 . . 2 . . . . . 77 V HG1 . 53120 1 84 . 1 . 1 77 77 VAL HG21 H 1 0.975 . . 2 . . . . . 77 V HG2 . 53120 1 85 . 1 . 1 77 77 VAL HG22 H 1 0.975 . . 2 . . . . . 77 V HG2 . 53120 1 86 . 1 . 1 77 77 VAL HG23 H 1 0.975 . . 2 . . . . . 77 V HG2 . 53120 1 87 . 1 . 1 77 77 VAL CG1 C 13 22.521 . . 2 . . . . . 77 V CG1 . 53120 1 88 . 1 . 1 77 77 VAL CG2 C 13 23.667 . . 2 . . . . . 77 V CG2 . 53120 1 89 . 1 . 1 86 86 LEU HD11 H 1 0.447 . . 2 . . . . . 86 L HD1 . 53120 1 90 . 1 . 1 86 86 LEU HD12 H 1 0.447 . . 2 . . . . . 86 L HD1 . 53120 1 91 . 1 . 1 86 86 LEU HD13 H 1 0.447 . . 2 . . . . . 86 L HD1 . 53120 1 92 . 1 . 1 86 86 LEU CD1 C 13 24.779 . . 2 . . . . . 86 L CD1 . 53120 1 93 . 1 . 1 87 87 ILE HD11 H 1 0.504 . . 1 . . . . . 87 I HD1 . 53120 1 94 . 1 . 1 87 87 ILE HD12 H 1 0.504 . . 1 . . . . . 87 I HD1 . 53120 1 95 . 1 . 1 87 87 ILE HD13 H 1 0.504 . . 1 . . . . . 87 I HD1 . 53120 1 96 . 1 . 1 87 87 ILE CD1 C 13 11.533 . . 1 . . . . . 87 I CD1 . 53120 1 97 . 1 . 1 92 92 ALA HB1 H 1 0.966 . . 1 . . . . . 92 A HB . 53120 1 98 . 1 . 1 92 92 ALA HB2 H 1 0.966 . . 1 . . . . . 92 A HB . 53120 1 99 . 1 . 1 92 92 ALA HB3 H 1 0.966 . . 1 . . . . . 92 A HB . 53120 1 100 . 1 . 1 92 92 ALA CB C 13 19.046 . . 1 . . . . . 92 A CB . 53120 1 101 . 1 . 1 95 95 ALA HB1 H 1 1.512 . . 1 . . . . . 95 A HB . 53120 1 102 . 1 . 1 95 95 ALA HB2 H 1 1.512 . . 1 . . . . . 95 A HB . 53120 1 103 . 1 . 1 95 95 ALA HB3 H 1 1.512 . . 1 . . . . . 95 A HB . 53120 1 104 . 1 . 1 95 95 ALA CB C 13 18.457 . . 1 . . . . . 95 A CB . 53120 1 105 . 1 . 1 97 97 LEU HD11 H 1 0.507 . . 2 . . . . . 97 L HD1 . 53120 1 106 . 1 . 1 97 97 LEU HD12 H 1 0.507 . . 2 . . . . . 97 L HD1 . 53120 1 107 . 1 . 1 97 97 LEU HD13 H 1 0.507 . . 2 . . . . . 97 L HD1 . 53120 1 108 . 1 . 1 97 97 LEU HD21 H 1 0.365 . . 2 . . . . . 97 L HD2 . 53120 1 109 . 1 . 1 97 97 LEU HD22 H 1 0.365 . . 2 . . . . . 97 L HD2 . 53120 1 110 . 1 . 1 97 97 LEU HD23 H 1 0.365 . . 2 . . . . . 97 L HD2 . 53120 1 111 . 1 . 1 97 97 LEU CD1 C 13 25.472 . . 2 . . . . . 97 L CD1 . 53120 1 112 . 1 . 1 97 97 LEU CD2 C 13 23.409 . . 2 . . . . . 97 L CD2 . 53120 1 113 . 1 . 1 99 99 VAL HG21 H 1 1.006 . . 2 . . . . . 99 V HG2 . 53120 1 114 . 1 . 1 99 99 VAL HG22 H 1 1.006 . . 2 . . . . . 99 V HG2 . 53120 1 115 . 1 . 1 99 99 VAL HG23 H 1 1.006 . . 2 . . . . . 99 V HG2 . 53120 1 116 . 1 . 1 99 99 VAL CG2 C 13 21.719 . . 2 . . . . . 99 V CG2 . 53120 1 117 . 1 . 1 101 101 LEU HD11 H 1 -0.186 . . 2 . . . . . 101 L HD1 . 53120 1 118 . 1 . 1 101 101 LEU HD12 H 1 -0.186 . . 2 . . . . . 101 L HD1 . 53120 1 119 . 1 . 1 101 101 LEU HD13 H 1 -0.186 . . 2 . . . . . 101 L HD1 . 53120 1 120 . 1 . 1 101 101 LEU HD21 H 1 0.149 . . 2 . . . . . 101 L HD2 . 53120 1 121 . 1 . 1 101 101 LEU HD22 H 1 0.149 . . 2 . . . . . 101 L HD2 . 53120 1 122 . 1 . 1 101 101 LEU HD23 H 1 0.149 . . 2 . . . . . 101 L HD2 . 53120 1 123 . 1 . 1 101 101 LEU CD1 C 13 24.201 . . 2 . . . . . 101 L CD1 . 53120 1 124 . 1 . 1 101 101 LEU CD2 C 13 23.925 . . 2 . . . . . 101 L CD2 . 53120 1 125 . 1 . 1 106 106 VAL HG11 H 1 0.442 . . 2 . . . . . 106 V HG1 . 53120 1 126 . 1 . 1 106 106 VAL HG12 H 1 0.442 . . 2 . . . . . 106 V HG1 . 53120 1 127 . 1 . 1 106 106 VAL HG13 H 1 0.442 . . 2 . . . . . 106 V HG1 . 53120 1 128 . 1 . 1 106 106 VAL HG21 H 1 0.326 . . 2 . . . . . 106 V HG2 . 53120 1 129 . 1 . 1 106 106 VAL HG22 H 1 0.326 . . 2 . . . . . 106 V HG2 . 53120 1 130 . 1 . 1 106 106 VAL HG23 H 1 0.326 . . 2 . . . . . 106 V HG2 . 53120 1 131 . 1 . 1 106 106 VAL CG1 C 13 22.013 . . 2 . . . . . 106 V CG1 . 53120 1 132 . 1 . 1 106 106 VAL CG2 C 13 21.428 . . 2 . . . . . 106 V CG2 . 53120 1 133 . 1 . 1 108 108 LEU HD11 H 1 0.673 . . 2 . . . . . 108 L HD1 . 53120 1 134 . 1 . 1 108 108 LEU HD12 H 1 0.673 . . 2 . . . . . 108 L HD1 . 53120 1 135 . 1 . 1 108 108 LEU HD13 H 1 0.673 . . 2 . . . . . 108 L HD1 . 53120 1 136 . 1 . 1 108 108 LEU HD21 H 1 0.543 . . 2 . . . . . 108 L HD2 . 53120 1 137 . 1 . 1 108 108 LEU HD22 H 1 0.543 . . 2 . . . . . 108 L HD2 . 53120 1 138 . 1 . 1 108 108 LEU HD23 H 1 0.543 . . 2 . . . . . 108 L HD2 . 53120 1 139 . 1 . 1 108 108 LEU CD1 C 13 25.852 . . 2 . . . . . 108 L CD1 . 53120 1 140 . 1 . 1 108 108 LEU CD2 C 13 22.805 . . 2 . . . . . 108 L CD2 . 53120 1 141 . 1 . 1 112 112 LEU HD11 H 1 0.625 . . 2 . . . . . 112 L HD1 . 53120 1 142 . 1 . 1 112 112 LEU HD12 H 1 0.625 . . 2 . . . . . 112 L HD1 . 53120 1 143 . 1 . 1 112 112 LEU HD13 H 1 0.625 . . 2 . . . . . 112 L HD1 . 53120 1 144 . 1 . 1 112 112 LEU HD21 H 1 0.458 . . 2 . . . . . 112 L HD2 . 53120 1 145 . 1 . 1 112 112 LEU HD22 H 1 0.458 . . 2 . . . . . 112 L HD2 . 53120 1 146 . 1 . 1 112 112 LEU HD23 H 1 0.458 . . 2 . . . . . 112 L HD2 . 53120 1 147 . 1 . 1 112 112 LEU CD1 C 13 25.009 . . 2 . . . . . 112 L CD1 . 53120 1 148 . 1 . 1 112 112 LEU CD2 C 13 22.900 . . 2 . . . . . 112 L CD2 . 53120 1 149 . 1 . 1 130 130 ALA HB1 H 1 1.673 . . 1 . . . . . 130 A HB . 53120 1 150 . 1 . 1 130 130 ALA HB2 H 1 1.673 . . 1 . . . . . 130 A HB . 53120 1 151 . 1 . 1 130 130 ALA HB3 H 1 1.673 . . 1 . . . . . 130 A HB . 53120 1 152 . 1 . 1 130 130 ALA CB C 13 17.819 . . 1 . . . . . 130 A CB . 53120 1 153 . 1 . 1 131 131 ILE HD11 H 1 0.597 . . 1 . . . . . 131 I HD1 . 53120 1 154 . 1 . 1 131 131 ILE HD12 H 1 0.597 . . 1 . . . . . 131 I HD1 . 53120 1 155 . 1 . 1 131 131 ILE HD13 H 1 0.597 . . 1 . . . . . 131 I HD1 . 53120 1 156 . 1 . 1 131 131 ILE CD1 C 13 14.144 . . 1 . . . . . 131 I CD1 . 53120 1 157 . 1 . 1 134 134 ALA HB1 H 1 1.491 . . 1 . . . . . 134 A HB . 53120 1 158 . 1 . 1 134 134 ALA HB2 H 1 1.491 . . 1 . . . . . 134 A HB . 53120 1 159 . 1 . 1 134 134 ALA HB3 H 1 1.491 . . 1 . . . . . 134 A HB . 53120 1 160 . 1 . 1 134 134 ALA CB C 13 18.191 . . 1 . . . . . 134 A CB . 53120 1 161 . 1 . 1 137 137 LEU HD11 H 1 0.762 . . 2 . . . . . 137 L HD1 . 53120 1 162 . 1 . 1 137 137 LEU HD12 H 1 0.762 . . 2 . . . . . 137 L HD1 . 53120 1 163 . 1 . 1 137 137 LEU HD13 H 1 0.762 . . 2 . . . . . 137 L HD1 . 53120 1 164 . 1 . 1 137 137 LEU HD21 H 1 0.261 . . 2 . . . . . 137 L HD2 . 53120 1 165 . 1 . 1 137 137 LEU HD22 H 1 0.261 . . 2 . . . . . 137 L HD2 . 53120 1 166 . 1 . 1 137 137 LEU HD23 H 1 0.261 . . 2 . . . . . 137 L HD2 . 53120 1 167 . 1 . 1 137 137 LEU CD1 C 13 26.208 . . 2 . . . . . 137 L CD1 . 53120 1 168 . 1 . 1 137 137 LEU CD2 C 13 21.825 . . 2 . . . . . 137 L CD2 . 53120 1 169 . 1 . 1 140 140 ALA HB1 H 1 1.576 . . 1 . . . . . 140 A HB . 53120 1 170 . 1 . 1 140 140 ALA HB2 H 1 1.576 . . 1 . . . . . 140 A HB . 53120 1 171 . 1 . 1 140 140 ALA HB3 H 1 1.576 . . 1 . . . . . 140 A HB . 53120 1 172 . 1 . 1 140 140 ALA CB C 13 18.760 . . 1 . . . . . 140 A CB . 53120 1 173 . 1 . 1 145 145 ALA HB1 H 1 1.395 . . 1 . . . . . 145 A HB . 53120 1 174 . 1 . 1 145 145 ALA HB2 H 1 1.395 . . 1 . . . . . 145 A HB . 53120 1 175 . 1 . 1 145 145 ALA HB3 H 1 1.395 . . 1 . . . . . 145 A HB . 53120 1 176 . 1 . 1 145 145 ALA CB C 13 21.005 . . 1 . . . . . 145 A CB . 53120 1 177 . 1 . 1 161 161 ALA HB1 H 1 1.335 . . 1 . . . . . 161 A HB . 53120 1 178 . 1 . 1 161 161 ALA HB2 H 1 1.335 . . 1 . . . . . 161 A HB . 53120 1 179 . 1 . 1 161 161 ALA HB3 H 1 1.335 . . 1 . . . . . 161 A HB . 53120 1 180 . 1 . 1 161 161 ALA CB C 13 19.273 . . 1 . . . . . 161 A CB . 53120 1 181 . 1 . 1 171 171 VAL HG11 H 1 1.050 . . 2 . . . . . 171 V HG1 . 53120 1 182 . 1 . 1 171 171 VAL HG12 H 1 1.050 . . 2 . . . . . 171 V HG1 . 53120 1 183 . 1 . 1 171 171 VAL HG13 H 1 1.050 . . 2 . . . . . 171 V HG1 . 53120 1 184 . 1 . 1 171 171 VAL CG1 C 13 22.833 . . 2 . . . . . 171 V CG1 . 53120 1 185 . 1 . 1 174 174 VAL HG11 H 1 1.100 . . 2 . . . . . 174 V HG1 . 53120 1 186 . 1 . 1 174 174 VAL HG12 H 1 1.100 . . 2 . . . . . 174 V HG1 . 53120 1 187 . 1 . 1 174 174 VAL HG13 H 1 1.100 . . 2 . . . . . 174 V HG1 . 53120 1 188 . 1 . 1 174 174 VAL HG21 H 1 0.974 . . 2 . . . . . 174 V HG2 . 53120 1 189 . 1 . 1 174 174 VAL HG22 H 1 0.974 . . 2 . . . . . 174 V HG2 . 53120 1 190 . 1 . 1 174 174 VAL HG23 H 1 0.974 . . 2 . . . . . 174 V HG2 . 53120 1 191 . 1 . 1 174 174 VAL CG1 C 13 22.354 . . 2 . . . . . 174 V CG1 . 53120 1 192 . 1 . 1 174 174 VAL CG2 C 13 20.135 . . 2 . . . . . 174 V CG2 . 53120 1 193 . 1 . 1 176 176 ILE HD11 H 1 0.530 . . 1 . . . . . 176 I HD1 . 53120 1 194 . 1 . 1 176 176 ILE HD12 H 1 0.530 . . 1 . . . . . 176 I HD1 . 53120 1 195 . 1 . 1 176 176 ILE HD13 H 1 0.530 . . 1 . . . . . 176 I HD1 . 53120 1 196 . 1 . 1 176 176 ILE CD1 C 13 12.828 . . 1 . . . . . 176 I CD1 . 53120 1 197 . 1 . 1 180 180 LEU HD11 H 1 1.253 . . 2 . . . . . 180 L HD1 . 53120 1 198 . 1 . 1 180 180 LEU HD12 H 1 1.253 . . 2 . . . . . 180 L HD1 . 53120 1 199 . 1 . 1 180 180 LEU HD13 H 1 1.253 . . 2 . . . . . 180 L HD1 . 53120 1 200 . 1 . 1 180 180 LEU HD21 H 1 0.824 . . 2 . . . . . 180 L HD2 . 53120 1 201 . 1 . 1 180 180 LEU HD22 H 1 0.824 . . 2 . . . . . 180 L HD2 . 53120 1 202 . 1 . 1 180 180 LEU HD23 H 1 0.824 . . 2 . . . . . 180 L HD2 . 53120 1 203 . 1 . 1 180 180 LEU CD1 C 13 25.126 . . 2 . . . . . 180 L CD1 . 53120 1 204 . 1 . 1 180 180 LEU CD2 C 13 26.530 . . 2 . . . . . 180 L CD2 . 53120 1 205 . 1 . 1 183 183 LEU HD11 H 1 1.011 . . 2 . . . . . 183 L HD1 . 53120 1 206 . 1 . 1 183 183 LEU HD12 H 1 1.011 . . 2 . . . . . 183 L HD1 . 53120 1 207 . 1 . 1 183 183 LEU HD13 H 1 1.011 . . 2 . . . . . 183 L HD1 . 53120 1 208 . 1 . 1 183 183 LEU HD21 H 1 0.932 . . 2 . . . . . 183 L HD2 . 53120 1 209 . 1 . 1 183 183 LEU HD22 H 1 0.932 . . 2 . . . . . 183 L HD2 . 53120 1 210 . 1 . 1 183 183 LEU HD23 H 1 0.932 . . 2 . . . . . 183 L HD2 . 53120 1 211 . 1 . 1 183 183 LEU CD1 C 13 26.459 . . 2 . . . . . 183 L CD1 . 53120 1 212 . 1 . 1 183 183 LEU CD2 C 13 24.731 . . 2 . . . . . 183 L CD2 . 53120 1 213 . 1 . 1 188 188 VAL HG11 H 1 0.297 . . 2 . . . . . 188 V HG1 . 53120 1 214 . 1 . 1 188 188 VAL HG12 H 1 0.297 . . 2 . . . . . 188 V HG1 . 53120 1 215 . 1 . 1 188 188 VAL HG13 H 1 0.297 . . 2 . . . . . 188 V HG1 . 53120 1 216 . 1 . 1 188 188 VAL HG21 H 1 0.785 . . 2 . . . . . 188 V HG2 . 53120 1 217 . 1 . 1 188 188 VAL HG22 H 1 0.785 . . 2 . . . . . 188 V HG2 . 53120 1 218 . 1 . 1 188 188 VAL HG23 H 1 0.785 . . 2 . . . . . 188 V HG2 . 53120 1 219 . 1 . 1 188 188 VAL CG1 C 13 21.381 . . 2 . . . . . 188 V CG1 . 53120 1 220 . 1 . 1 188 188 VAL CG2 C 13 22.013 . . 2 . . . . . 188 V CG2 . 53120 1 221 . 1 . 1 191 191 ILE HD11 H 1 0.792 . . 1 . . . . . 191 I HD1 . 53120 1 222 . 1 . 1 191 191 ILE HD12 H 1 0.792 . . 1 . . . . . 191 I HD1 . 53120 1 223 . 1 . 1 191 191 ILE HD13 H 1 0.792 . . 1 . . . . . 191 I HD1 . 53120 1 224 . 1 . 1 191 191 ILE CD1 C 13 13.935 . . 1 . . . . . 191 I CD1 . 53120 1 225 . 1 . 1 206 206 ALA HB1 H 1 1.142 . . 1 . . . . . 206 A HB . 53120 1 226 . 1 . 1 206 206 ALA HB2 H 1 1.142 . . 1 . . . . . 206 A HB . 53120 1 227 . 1 . 1 206 206 ALA HB3 H 1 1.142 . . 1 . . . . . 206 A HB . 53120 1 228 . 1 . 1 206 206 ALA CB C 13 18.378 . . 1 . . . . . 206 A CB . 53120 1 229 . 1 . 1 209 209 VAL HG11 H 1 0.370 . . 2 . . . . . 209 V HG1 . 53120 1 230 . 1 . 1 209 209 VAL HG12 H 1 0.370 . . 2 . . . . . 209 V HG1 . 53120 1 231 . 1 . 1 209 209 VAL HG13 H 1 0.370 . . 2 . . . . . 209 V HG1 . 53120 1 232 . 1 . 1 209 209 VAL HG21 H 1 0.704 . . 2 . . . . . 209 V HG2 . 53120 1 233 . 1 . 1 209 209 VAL HG22 H 1 0.704 . . 2 . . . . . 209 V HG2 . 53120 1 234 . 1 . 1 209 209 VAL HG23 H 1 0.704 . . 2 . . . . . 209 V HG2 . 53120 1 235 . 1 . 1 209 209 VAL CG1 C 13 20.703 . . 2 . . . . . 209 V CG1 . 53120 1 236 . 1 . 1 209 209 VAL CG2 C 13 22.397 . . 2 . . . . . 209 V CG2 . 53120 1 237 . 1 . 1 210 210 ILE HD11 H 1 -0.145 . . 1 . 0.9 . . . 210 I HD1 . 53120 1 238 . 1 . 1 210 210 ILE HD12 H 1 -0.145 . . 1 . 0.9 . . . 210 I HD1 . 53120 1 239 . 1 . 1 210 210 ILE HD13 H 1 -0.145 . . 1 . 0.9 . . . 210 I HD1 . 53120 1 240 . 1 . 1 210 210 ILE CD1 C 13 13.696 . . 1 . 0.9 . . . 210 I CD1 . 53120 1 241 . 1 . 1 210 210 ILE HD11 H 1 -0.166 . . 1 . 0.1 . . . 210 I HD1 . 53120 1 242 . 1 . 1 210 210 ILE HD12 H 1 -0.166 . . 1 . 0.1 . . . 210 I HD1 . 53120 1 243 . 1 . 1 210 210 ILE HD13 H 1 -0.166 . . 1 . 0.1 . . . 210 I HD1 . 53120 1 244 . 1 . 1 210 210 ILE CD1 C 13 13.691 . . 1 . 0.1 . . . 210 I CD1 . 53120 1 245 . 1 . 1 214 214 ILE HD11 H 1 0.103 . . 1 . . . . . 214 I HD1 . 53120 1 246 . 1 . 1 214 214 ILE HD12 H 1 0.103 . . 1 . . . . . 214 I HD1 . 53120 1 247 . 1 . 1 214 214 ILE HD13 H 1 0.103 . . 1 . . . . . 214 I HD1 . 53120 1 248 . 1 . 1 214 214 ILE CD1 C 13 14.333 . . 1 . . . . . 214 I CD1 . 53120 1 249 . 1 . 1 216 216 LEU HD11 H 1 0.781 . . 2 . . . . . 216 L HD1 . 53120 1 250 . 1 . 1 216 216 LEU HD12 H 1 0.781 . . 2 . . . . . 216 L HD1 . 53120 1 251 . 1 . 1 216 216 LEU HD13 H 1 0.781 . . 2 . . . . . 216 L HD1 . 53120 1 252 . 1 . 1 216 216 LEU HD21 H 1 0.742 . . 2 . . . . . 216 L HD2 . 53120 1 253 . 1 . 1 216 216 LEU HD22 H 1 0.742 . . 2 . . . . . 216 L HD2 . 53120 1 254 . 1 . 1 216 216 LEU HD23 H 1 0.742 . . 2 . . . . . 216 L HD2 . 53120 1 255 . 1 . 1 216 216 LEU CD1 C 13 24.806 . . 2 . . . . . 216 L CD1 . 53120 1 256 . 1 . 1 216 216 LEU CD2 C 13 23.448 . . 2 . . . . . 216 L CD2 . 53120 1 257 . 1 . 1 219 219 ALA HB1 H 1 1.412 . . 1 . . . . . 219 A HB . 53120 1 258 . 1 . 1 219 219 ALA HB2 H 1 1.412 . . 1 . . . . . 219 A HB . 53120 1 259 . 1 . 1 219 219 ALA HB3 H 1 1.412 . . 1 . . . . . 219 A HB . 53120 1 260 . 1 . 1 219 219 ALA CB C 13 19.021 . . 1 . . . . . 219 A CB . 53120 1 261 . 1 . 1 226 226 ILE HD11 H 1 0.501 . . 1 . . . . . 226 I HD1 . 53120 1 262 . 1 . 1 226 226 ILE HD12 H 1 0.501 . . 1 . . . . . 226 I HD1 . 53120 1 263 . 1 . 1 226 226 ILE HD13 H 1 0.501 . . 1 . . . . . 226 I HD1 . 53120 1 264 . 1 . 1 226 226 ILE CD1 C 13 13.103 . . 1 . . . . . 226 I CD1 . 53120 1 265 . 1 . 1 230 230 LEU HD11 H 1 0.806 . . 2 . 0.9 . . . 230 L HD1 . 53120 1 266 . 1 . 1 230 230 LEU HD12 H 1 0.806 . . 2 . 0.9 . . . 230 L HD1 . 53120 1 267 . 1 . 1 230 230 LEU HD13 H 1 0.806 . . 2 . 0.9 . . . 230 L HD1 . 53120 1 268 . 1 . 1 230 230 LEU HD21 H 1 0.227 . . 2 . 0.9 . . . 230 L HD2 . 53120 1 269 . 1 . 1 230 230 LEU HD22 H 1 0.227 . . 2 . 0.9 . . . 230 L HD2 . 53120 1 270 . 1 . 1 230 230 LEU HD23 H 1 0.227 . . 2 . 0.9 . . . 230 L HD2 . 53120 1 271 . 1 . 1 230 230 LEU CD1 C 13 23.783 . . 2 . 0.9 . . . 230 L CD1 . 53120 1 272 . 1 . 1 230 230 LEU CD2 C 13 25.750 . . 2 . 0.9 . . . 230 L CD2 . 53120 1 273 . 1 . 1 230 230 LEU HD11 H 1 0.757 . . 2 . 0.1 . . . 230 L HD1 . 53120 1 274 . 1 . 1 230 230 LEU HD12 H 1 0.757 . . 2 . 0.1 . . . 230 L HD1 . 53120 1 275 . 1 . 1 230 230 LEU HD13 H 1 0.757 . . 2 . 0.1 . . . 230 L HD1 . 53120 1 276 . 1 . 1 230 230 LEU HD21 H 1 0.175 . . 2 . 0.1 . . . 230 L HD2 . 53120 1 277 . 1 . 1 230 230 LEU HD22 H 1 0.175 . . 2 . 0.1 . . . 230 L HD2 . 53120 1 278 . 1 . 1 230 230 LEU HD23 H 1 0.175 . . 2 . 0.1 . . . 230 L HD2 . 53120 1 279 . 1 . 1 230 230 LEU CD1 C 13 23.723 . . 2 . 0.1 . . . 230 L CD1 . 53120 1 280 . 1 . 1 230 230 LEU CD2 C 13 25.532 . . 2 . 0.1 . . . 230 L CD2 . 53120 1 281 . 1 . 1 232 232 ALA HB1 H 1 1.385 . . 1 . . . . . 232 A HB . 53120 1 282 . 1 . 1 232 232 ALA HB2 H 1 1.385 . . 1 . . . . . 232 A HB . 53120 1 283 . 1 . 1 232 232 ALA HB3 H 1 1.385 . . 1 . . . . . 232 A HB . 53120 1 284 . 1 . 1 232 232 ALA CB C 13 21.986 . . 1 . . . . . 232 A CB . 53120 1 285 . 1 . 1 234 234 VAL HG11 H 1 0.928 . . 2 . . . . . 234 V HG1 . 53120 1 286 . 1 . 1 234 234 VAL HG12 H 1 0.928 . . 2 . . . . . 234 V HG1 . 53120 1 287 . 1 . 1 234 234 VAL HG13 H 1 0.928 . . 2 . . . . . 234 V HG1 . 53120 1 288 . 1 . 1 234 234 VAL CG1 C 13 22.996 . . 2 . . . . . 234 V CG1 . 53120 1 stop_ save_