data_12018 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12018 _Entry.Title ; Backbone resonance assignments of the YAP-binding domain of transcription factor TEAD4 of mouse ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-27 _Entry.Accession_date 2018-04-19 _Entry.Last_release_date 2018-04-19 _Entry.Original_release_date 2018-04-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Yan Li . . . . 12018 2 'Elizabeth Yihui' Ng . . . . 12018 3 CongBao Kang . . . . 12018 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 12018 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12018 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 12018 '15N chemical shifts' 141 12018 '1H chemical shifts' 141 12018 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 . . 2018-07-17 . original BMRB . 12018 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12018 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1042/BCJ20180225 _Citation.PubMed_ID 29760238 _Citation.Full_citation . _Citation.Title ; Structural and ligand-binding analysis of the YAP-binding domain of transcription factor TEAD4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 475 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1470-8728 _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 2043 _Citation.Page_last 2055 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yan Li . . . . 12018 1 2 Shuang Liu . . . . 12018 1 3 'Elizabeth Yihui' Ng . . . . 12018 1 4 Rong Li . . . . 12018 1 5 Anders Poulsen . . . . 12018 1 6 Jeffrey Hill . . . . 12018 1 7 'Ajaybabu V.' Pobbati . . . . 12018 1 8 'Alvin W.' Hung . . . . 12018 1 9 Wanjin Hong . . . . 12018 1 10 'Thomas H.' Keller . . . . 12018 1 11 CongBao Kang . . . . 12018 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12018 _Assembly.ID 1 _Assembly.Name 'YAP-binding domain of transcription factor TEAD4' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'YAP-binding domain of transcription factor TEAD4' 1 $YAP-binding_domain_of_transcription_factor_TEAD4 A . yes native no no . . . 12018 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YAP-binding_domain_of_transcription_factor_TEAD4 _Entity.Sf_category entity _Entity.Sf_framecode YAP-binding_domain_of_transcription_factor_TEAD4 _Entity.Entry_ID 12018 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YAP-binding_domain_of_transcription_factor_TEAD4 _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 ; MGSSHHHHHHSSGLVPRGSH MRSIASSKLWMLEFSAFLER QQDPDTYNKHLFVHISQSSP SYSDPYLETVDIRQIYDKFP EKKGGLKELFERGPSNAFFL VKFWADLNTNIDDEGSAFYG VSSQYESPENMIITCSTKVC SFGKQVVEKVETEYARYENG HYLYRIHRSPLCEYMINFIH KLKHLPEKYMMNSVLENFTI LQVVTNRDTQETLLCIAYVF EVSASEHGAQHHIYRLVKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 239 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 . 12018 1 2 2 GLY . 12018 1 3 3 SER . 12018 1 4 4 SER . 12018 1 5 5 HIS . 12018 1 6 6 HIS . 12018 1 7 7 HIS . 12018 1 8 8 HIS . 12018 1 9 9 HIS . 12018 1 10 10 HIS . 12018 1 11 11 SER . 12018 1 12 12 SER . 12018 1 13 13 GLY . 12018 1 14 14 LEU . 12018 1 15 15 VAL . 12018 1 16 16 PRO . 12018 1 17 17 ARG . 12018 1 18 18 GLY . 12018 1 19 19 SER . 12018 1 20 20 HIS . 12018 1 21 21 MET . 12018 1 22 22 ARG . 12018 1 23 23 SER . 12018 1 24 24 ILE . 12018 1 25 25 ALA . 12018 1 26 26 SER . 12018 1 27 27 SER . 12018 1 28 28 LYS . 12018 1 29 29 LEU . 12018 1 30 30 TRP . 12018 1 31 31 MET . 12018 1 32 32 LEU . 12018 1 33 33 GLU . 12018 1 34 34 PHE . 12018 1 35 35 SER . 12018 1 36 36 ALA . 12018 1 37 37 PHE . 12018 1 38 38 LEU . 12018 1 39 39 GLU . 12018 1 40 40 ARG . 12018 1 41 41 GLN . 12018 1 42 42 GLN . 12018 1 43 43 ASP . 12018 1 44 44 PRO . 12018 1 45 45 ASP . 12018 1 46 46 THR . 12018 1 47 47 TYR . 12018 1 48 48 ASN . 12018 1 49 49 LYS . 12018 1 50 50 HIS . 12018 1 51 51 LEU . 12018 1 52 52 PHE . 12018 1 53 53 VAL . 12018 1 54 54 HIS . 12018 1 55 55 ILE . 12018 1 56 56 SER . 12018 1 57 57 GLN . 12018 1 58 58 SER . 12018 1 59 59 SER . 12018 1 60 60 PRO . 12018 1 61 61 SER . 12018 1 62 62 TYR . 12018 1 63 63 SER . 12018 1 64 64 ASP . 12018 1 65 65 PRO . 12018 1 66 66 TYR . 12018 1 67 67 LEU . 12018 1 68 68 GLU . 12018 1 69 69 THR . 12018 1 70 70 VAL . 12018 1 71 71 ASP . 12018 1 72 72 ILE . 12018 1 73 73 ARG . 12018 1 74 74 GLN . 12018 1 75 75 ILE . 12018 1 76 76 TYR . 12018 1 77 77 ASP . 12018 1 78 78 LYS . 12018 1 79 79 PHE . 12018 1 80 80 PRO . 12018 1 81 81 GLU . 12018 1 82 82 LYS . 12018 1 83 83 LYS . 12018 1 84 84 GLY . 12018 1 85 85 GLY . 12018 1 86 86 LEU . 12018 1 87 87 LYS . 12018 1 88 88 GLU . 12018 1 89 89 LEU . 12018 1 90 90 PHE . 12018 1 91 91 GLU . 12018 1 92 92 ARG . 12018 1 93 93 GLY . 12018 1 94 94 PRO . 12018 1 95 95 SER . 12018 1 96 96 ASN . 12018 1 97 97 ALA . 12018 1 98 98 PHE . 12018 1 99 99 PHE . 12018 1 100 100 LEU . 12018 1 101 101 VAL . 12018 1 102 102 LYS . 12018 1 103 103 PHE . 12018 1 104 104 TRP . 12018 1 105 105 ALA . 12018 1 106 106 ASP . 12018 1 107 107 LEU . 12018 1 108 108 ASN . 12018 1 109 109 THR . 12018 1 110 110 ASN . 12018 1 111 111 ILE . 12018 1 112 112 ASP . 12018 1 113 113 ASP . 12018 1 114 114 GLU . 12018 1 115 115 GLY . 12018 1 116 116 SER . 12018 1 117 117 ALA . 12018 1 118 118 PHE . 12018 1 119 119 TYR . 12018 1 120 120 GLY . 12018 1 121 121 VAL . 12018 1 122 122 SER . 12018 1 123 123 SER . 12018 1 124 124 GLN . 12018 1 125 125 TYR . 12018 1 126 126 GLU . 12018 1 127 127 SER . 12018 1 128 128 PRO . 12018 1 129 129 GLU . 12018 1 130 130 ASN . 12018 1 131 131 MET . 12018 1 132 132 ILE . 12018 1 133 133 ILE . 12018 1 134 134 THR . 12018 1 135 135 CYS . 12018 1 136 136 SER . 12018 1 137 137 THR . 12018 1 138 138 LYS . 12018 1 139 139 VAL . 12018 1 140 140 CYS . 12018 1 141 141 SER . 12018 1 142 142 PHE . 12018 1 143 143 GLY . 12018 1 144 144 LYS . 12018 1 145 145 GLN . 12018 1 146 146 VAL . 12018 1 147 147 VAL . 12018 1 148 148 GLU . 12018 1 149 149 LYS . 12018 1 150 150 VAL . 12018 1 151 151 GLU . 12018 1 152 152 THR . 12018 1 153 153 GLU . 12018 1 154 154 TYR . 12018 1 155 155 ALA . 12018 1 156 156 ARG . 12018 1 157 157 TYR . 12018 1 158 158 GLU . 12018 1 159 159 ASN . 12018 1 160 160 GLY . 12018 1 161 161 HIS . 12018 1 162 162 TYR . 12018 1 163 163 LEU . 12018 1 164 164 TYR . 12018 1 165 165 ARG . 12018 1 166 166 ILE . 12018 1 167 167 HIS . 12018 1 168 168 ARG . 12018 1 169 169 SER . 12018 1 170 170 PRO . 12018 1 171 171 LEU . 12018 1 172 172 CYS . 12018 1 173 173 GLU . 12018 1 174 174 TYR . 12018 1 175 175 MET . 12018 1 176 176 ILE . 12018 1 177 177 ASN . 12018 1 178 178 PHE . 12018 1 179 179 ILE . 12018 1 180 180 HIS . 12018 1 181 181 LYS . 12018 1 182 182 LEU . 12018 1 183 183 LYS . 12018 1 184 184 HIS . 12018 1 185 185 LEU . 12018 1 186 186 PRO . 12018 1 187 187 GLU . 12018 1 188 188 LYS . 12018 1 189 189 TYR . 12018 1 190 190 MET . 12018 1 191 191 MET . 12018 1 192 192 ASN . 12018 1 193 193 SER . 12018 1 194 194 VAL . 12018 1 195 195 LEU . 12018 1 196 196 GLU . 12018 1 197 197 ASN . 12018 1 198 198 PHE . 12018 1 199 199 THR . 12018 1 200 200 ILE . 12018 1 201 201 LEU . 12018 1 202 202 GLN . 12018 1 203 203 VAL . 12018 1 204 204 VAL . 12018 1 205 205 THR . 12018 1 206 206 ASN . 12018 1 207 207 ARG . 12018 1 208 208 ASP . 12018 1 209 209 THR . 12018 1 210 210 GLN . 12018 1 211 211 GLU . 12018 1 212 212 THR . 12018 1 213 213 LEU . 12018 1 214 214 LEU . 12018 1 215 215 CYS . 12018 1 216 216 ILE . 12018 1 217 217 ALA . 12018 1 218 218 TYR . 12018 1 219 219 VAL . 12018 1 220 220 PHE . 12018 1 221 221 GLU . 12018 1 222 222 VAL . 12018 1 223 223 SER . 12018 1 224 224 ALA . 12018 1 225 225 SER . 12018 1 226 226 GLU . 12018 1 227 227 HIS . 12018 1 228 228 GLY . 12018 1 229 229 ALA . 12018 1 230 230 GLN . 12018 1 231 231 HIS . 12018 1 232 232 HIS . 12018 1 233 233 ILE . 12018 1 234 234 TYR . 12018 1 235 235 ARG . 12018 1 236 236 LEU . 12018 1 237 237 VAL . 12018 1 238 238 LYS . 12018 1 239 239 GLU . 12018 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 12018 1 . GLY 2 2 12018 1 . SER 3 3 12018 1 . SER 4 4 12018 1 . HIS 5 5 12018 1 . HIS 6 6 12018 1 . HIS 7 7 12018 1 . HIS 8 8 12018 1 . HIS 9 9 12018 1 . HIS 10 10 12018 1 . SER 11 11 12018 1 . SER 12 12 12018 1 . GLY 13 13 12018 1 . LEU 14 14 12018 1 . VAL 15 15 12018 1 . PRO 16 16 12018 1 . ARG 17 17 12018 1 . GLY 18 18 12018 1 . SER 19 19 12018 1 . HIS 20 20 12018 1 . MET 21 21 12018 1 . ARG 22 22 12018 1 . SER 23 23 12018 1 . ILE 24 24 12018 1 . ALA 25 25 12018 1 . SER 26 26 12018 1 . SER 27 27 12018 1 . LYS 28 28 12018 1 . LEU 29 29 12018 1 . TRP 30 30 12018 1 . MET 31 31 12018 1 . LEU 32 32 12018 1 . GLU 33 33 12018 1 . PHE 34 34 12018 1 . SER 35 35 12018 1 . ALA 36 36 12018 1 . PHE 37 37 12018 1 . LEU 38 38 12018 1 . GLU 39 39 12018 1 . ARG 40 40 12018 1 . GLN 41 41 12018 1 . GLN 42 42 12018 1 . ASP 43 43 12018 1 . PRO 44 44 12018 1 . ASP 45 45 12018 1 . THR 46 46 12018 1 . TYR 47 47 12018 1 . ASN 48 48 12018 1 . LYS 49 49 12018 1 . HIS 50 50 12018 1 . LEU 51 51 12018 1 . PHE 52 52 12018 1 . VAL 53 53 12018 1 . HIS 54 54 12018 1 . ILE 55 55 12018 1 . SER 56 56 12018 1 . GLN 57 57 12018 1 . SER 58 58 12018 1 . SER 59 59 12018 1 . PRO 60 60 12018 1 . SER 61 61 12018 1 . TYR 62 62 12018 1 . SER 63 63 12018 1 . ASP 64 64 12018 1 . PRO 65 65 12018 1 . TYR 66 66 12018 1 . LEU 67 67 12018 1 . GLU 68 68 12018 1 . THR 69 69 12018 1 . VAL 70 70 12018 1 . ASP 71 71 12018 1 . ILE 72 72 12018 1 . ARG 73 73 12018 1 . GLN 74 74 12018 1 . ILE 75 75 12018 1 . TYR 76 76 12018 1 . ASP 77 77 12018 1 . LYS 78 78 12018 1 . PHE 79 79 12018 1 . PRO 80 80 12018 1 . GLU 81 81 12018 1 . LYS 82 82 12018 1 . LYS 83 83 12018 1 . GLY 84 84 12018 1 . GLY 85 85 12018 1 . LEU 86 86 12018 1 . LYS 87 87 12018 1 . GLU 88 88 12018 1 . LEU 89 89 12018 1 . PHE 90 90 12018 1 . GLU 91 91 12018 1 . ARG 92 92 12018 1 . GLY 93 93 12018 1 . PRO 94 94 12018 1 . SER 95 95 12018 1 . ASN 96 96 12018 1 . ALA 97 97 12018 1 . PHE 98 98 12018 1 . PHE 99 99 12018 1 . LEU 100 100 12018 1 . VAL 101 101 12018 1 . LYS 102 102 12018 1 . PHE 103 103 12018 1 . TRP 104 104 12018 1 . ALA 105 105 12018 1 . ASP 106 106 12018 1 . LEU 107 107 12018 1 . ASN 108 108 12018 1 . THR 109 109 12018 1 . ASN 110 110 12018 1 . ILE 111 111 12018 1 . ASP 112 112 12018 1 . ASP 113 113 12018 1 . GLU 114 114 12018 1 . GLY 115 115 12018 1 . SER 116 116 12018 1 . ALA 117 117 12018 1 . PHE 118 118 12018 1 . TYR 119 119 12018 1 . GLY 120 120 12018 1 . VAL 121 121 12018 1 . SER 122 122 12018 1 . SER 123 123 12018 1 . GLN 124 124 12018 1 . TYR 125 125 12018 1 . GLU 126 126 12018 1 . SER 127 127 12018 1 . PRO 128 128 12018 1 . GLU 129 129 12018 1 . ASN 130 130 12018 1 . MET 131 131 12018 1 . ILE 132 132 12018 1 . ILE 133 133 12018 1 . THR 134 134 12018 1 . CYS 135 135 12018 1 . SER 136 136 12018 1 . THR 137 137 12018 1 . LYS 138 138 12018 1 . VAL 139 139 12018 1 . CYS 140 140 12018 1 . SER 141 141 12018 1 . PHE 142 142 12018 1 . GLY 143 143 12018 1 . LYS 144 144 12018 1 . GLN 145 145 12018 1 . VAL 146 146 12018 1 . VAL 147 147 12018 1 . GLU 148 148 12018 1 . LYS 149 149 12018 1 . VAL 150 150 12018 1 . GLU 151 151 12018 1 . THR 152 152 12018 1 . GLU 153 153 12018 1 . TYR 154 154 12018 1 . ALA 155 155 12018 1 . ARG 156 156 12018 1 . TYR 157 157 12018 1 . GLU 158 158 12018 1 . ASN 159 159 12018 1 . GLY 160 160 12018 1 . HIS 161 161 12018 1 . TYR 162 162 12018 1 . LEU 163 163 12018 1 . TYR 164 164 12018 1 . ARG 165 165 12018 1 . ILE 166 166 12018 1 . HIS 167 167 12018 1 . ARG 168 168 12018 1 . SER 169 169 12018 1 . PRO 170 170 12018 1 . LEU 171 171 12018 1 . CYS 172 172 12018 1 . GLU 173 173 12018 1 . TYR 174 174 12018 1 . MET 175 175 12018 1 . ILE 176 176 12018 1 . ASN 177 177 12018 1 . PHE 178 178 12018 1 . ILE 179 179 12018 1 . HIS 180 180 12018 1 . LYS 181 181 12018 1 . LEU 182 182 12018 1 . LYS 183 183 12018 1 . HIS 184 184 12018 1 . LEU 185 185 12018 1 . PRO 186 186 12018 1 . GLU 187 187 12018 1 . LYS 188 188 12018 1 . TYR 189 189 12018 1 . MET 190 190 12018 1 . MET 191 191 12018 1 . ASN 192 192 12018 1 . SER 193 193 12018 1 . VAL 194 194 12018 1 . LEU 195 195 12018 1 . GLU 196 196 12018 1 . ASN 197 197 12018 1 . PHE 198 198 12018 1 . THR 199 199 12018 1 . ILE 200 200 12018 1 . LEU 201 201 12018 1 . GLN 202 202 12018 1 . VAL 203 203 12018 1 . VAL 204 204 12018 1 . THR 205 205 12018 1 . ASN 206 206 12018 1 . ARG 207 207 12018 1 . ASP 208 208 12018 1 . THR 209 209 12018 1 . GLN 210 210 12018 1 . GLU 211 211 12018 1 . THR 212 212 12018 1 . LEU 213 213 12018 1 . LEU 214 214 12018 1 . CYS 215 215 12018 1 . ILE 216 216 12018 1 . ALA 217 217 12018 1 . TYR 218 218 12018 1 . VAL 219 219 12018 1 . PHE 220 220 12018 1 . GLU 221 221 12018 1 . VAL 222 222 12018 1 . SER 223 223 12018 1 . ALA 224 224 12018 1 . SER 225 225 12018 1 . GLU 226 226 12018 1 . HIS 227 227 12018 1 . GLY 228 228 12018 1 . ALA 229 229 12018 1 . GLN 230 230 12018 1 . HIS 231 231 12018 1 . HIS 232 232 12018 1 . ILE 233 233 12018 1 . TYR 234 234 12018 1 . ARG 235 235 12018 1 . LEU 236 236 12018 1 . VAL 237 237 12018 1 . LYS 238 238 12018 1 . GLU 239 239 12018 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 12018 _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 $YAP-binding_domain_of_transcription_factor_TEAD4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 12018 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 12018 _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 $YAP-binding_domain_of_transcription_factor_TEAD4 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET15b . . . 12018 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SAM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SAM _Chem_comp.Entry_ID 12018 _Chem_comp.ID SAM _Chem_comp.Provenance PDB _Chem_comp.Name S-ADENOSYLMETHIONINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code SAM _Chem_comp.PDB_code SAM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SAM _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 27 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C15 H22 N6 O5 S' _Chem_comp.Formula_weight 398.437 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CMC _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O SMILES 'OpenEye OEToolkits' 1.5.0 12018 SAM C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 SMILES CACTVS 3.341 12018 SAM C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 12018 SAM C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 SMILES_CANONICAL CACTVS 3.341 12018 SAM ; InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 ; InChI InChI 1.03 12018 SAM MEFKEPWMEQBLKI-FCKMPRQPSA-N InChIKey InChI 1.03 12018 SAM [O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 12018 SAM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 12018 SAM ; (2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name) ; 'SYSTEMATIC NAME' ACDLabs 10.04 12018 SAM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -27.077 . 24.904 . 45.687 . -6.815 -0.436 0.939 1 . 12018 SAM CA CA CA CA . C . . S 0 . . . 1 no no . . . . -28.110 . 25.968 . 45.360 . -6.177 0.858 0.661 2 . 12018 SAM C C C C . C . . N 0 . . . 1 no no . . . . -29.216 . 25.950 . 46.423 . -7.164 1.767 -0.026 3 . 12018 SAM O O O O . O . . N 0 . . . 1 no no . . . . -29.253 . 24.910 . 47.107 . -8.035 1.295 -0.737 4 . 12018 SAM OXT OXT OXT OXT . O . . N -1 . . . 1 no no . . . . -30.029 . 26.837 . 46.753 . -7.091 2.974 0.130 5 . 12018 SAM CB CB CB CB . C . . N 0 . . . 1 no no . . . . -28.628 . 25.736 . 43.935 . -4.964 0.644 -0.246 6 . 12018 SAM CG CG CG CG . C . . N 0 . . . 1 no no . . . . -29.842 . 26.488 . 43.429 . -3.908 -0.176 0.499 7 . 12018 SAM SD SD SD SD . S . . S 1 . . . 1 no no . . . . -29.737 . 28.269 . 43.836 . -2.469 -0.429 -0.576 8 . 12018 SAM CE CE CE CE . C . . N 0 . . . 1 no no . . . . -31.441 . 28.679 . 44.165 . -3.103 -1.751 -1.644 9 . 12018 SAM C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . -29.475 . 28.953 . 42.169 . -1.413 -1.400 0.534 10 . 12018 SAM C4' C4' C4' C4* . C . . S 0 . . . 1 no no . . . . -29.572 . 30.475 . 42.206 . -0.103 -1.741 -0.177 11 . 12018 SAM O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . -29.031 . 30.956 . 43.442 . 0.656 -0.542 -0.407 12 . 12018 SAM C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . -28.682 . 31.245 . 41.233 . 0.752 -2.664 0.713 13 . 12018 SAM O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . -29.371 . 31.423 . 40.002 . 1.004 -3.909 0.058 14 . 12018 SAM C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . -28.546 . 32.662 . 41.810 . 2.075 -1.877 0.910 15 . 12018 SAM O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . -29.244 . 33.644 . 41.146 . 3.203 -2.751 0.832 16 . 12018 SAM C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . -28.874 . 32.379 . 43.239 . 2.050 -0.896 -0.290 17 . 12018 SAM N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . -27.744 . 32.757 . 44.049 . 2.862 0.290 -0.006 18 . 12018 SAM C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -27.998 . 33.524 . 45.159 . 2.426 1.448 0.567 19 . 12018 SAM N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . -26.868 . 33.759 . 45.806 . 3.411 2.292 0.670 20 . 12018 SAM C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -25.877 . 33.152 . 45.067 . 4.539 1.731 0.172 21 . 12018 SAM C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -24.477 . 33.101 . 45.296 . 5.870 2.155 0.022 22 . 12018 SAM N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . -23.850 . 33.668 . 46.347 . 6.263 3.415 0.438 23 . 12018 SAM N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . -23.815 . 32.413 . 44.412 . 6.744 1.317 -0.527 24 . 12018 SAM C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . -24.381 . 31.757 . 43.359 . 6.378 0.112 -0.925 25 . 12018 SAM N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . -25.656 . 31.812 . 43.055 . 5.143 -0.327 -0.805 26 . 12018 SAM C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -26.393 . 32.486 . 43.978 . 4.201 0.438 -0.263 27 . 12018 SAM HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . -26.341 . 24.916 . 44.980 . -7.662 -0.238 1.449 28 . 12018 SAM HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . -27.495 . 23.979 . 45.792 . -7.095 -0.819 0.048 29 . 12018 SAM HA HA HA HA . H . . N 0 . . . 1 no no . . . . -27.662 . 26.989 . 45.384 . -5.855 1.313 1.598 30 . 12018 SAM HB1 HB1 HB1 1HB . H . . N 0 . . . 1 no no . . . . -27.786 . 25.910 . 43.224 . -4.543 1.610 -0.524 31 . 12018 SAM HB2 HB2 HB2 2HB . H . . N 0 . . . 1 no no . . . . -28.812 . 24.644 . 43.802 . -5.271 0.109 -1.145 32 . 12018 SAM HG1 HG1 HG1 1HG . H . . N 0 . . . 1 no no . . . . -29.998 . 26.326 . 42.336 . -4.328 -1.142 0.778 33 . 12018 SAM HG2 HG2 HG2 2HG . H . . N 0 . . . 1 no no . . . . -30.789 . 26.037 . 43.806 . -3.600 0.359 1.398 34 . 12018 SAM HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . -31.377 . 29.764 . 44.413 . -2.339 -2.030 -2.370 35 . 12018 SAM HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . -32.153 . 28.423 . 43.346 . -3.359 -2.619 -1.035 36 . 12018 SAM HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . -31.937 . 28.047 . 44.938 . -3.992 -1.400 -2.169 37 . 12018 SAM H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . -28.513 . 28.606 . 41.722 . -1.199 -0.819 1.432 38 . 12018 SAM H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . -30.172 . 28.508 . 41.421 . -1.927 -2.320 0.811 39 . 12018 SAM H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . -30.653 . 30.641 . 41.993 . -0.314 -2.234 -1.127 40 . 12018 SAM H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . -27.715 . 30.708 . 41.087 . 0.261 -2.831 1.672 41 . 12018 SAM HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . -28.817 . 31.902 . 39.396 . 1.590 -4.416 0.637 42 . 12018 SAM H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . -27.549 . 33.148 . 41.689 . 2.069 -1.336 1.856 43 . 12018 SAM HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . -29.159 . 34.520 . 41.502 . 3.160 -3.333 1.603 44 . 12018 SAM H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . -29.805 . 32.932 . 43.503 . 2.399 -1.390 -1.197 45 . 12018 SAM H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -28.980 . 33.901 . 45.487 . 1.412 1.637 0.887 46 . 12018 SAM HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . -22.844 . 33.631 . 46.511 . 5.616 4.017 0.837 47 . 12018 SAM HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . -24.300 . 33.308 . 47.188 . 7.185 3.696 0.329 48 . 12018 SAM H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -23.756 . 31.131 . 42.699 . 7.120 -0.537 -1.367 49 . 12018 SAM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 12018 SAM 2 . SING N HN1 no N 2 . 12018 SAM 3 . SING N HN2 no N 3 . 12018 SAM 4 . SING CA C no N 4 . 12018 SAM 5 . SING CA CB no N 5 . 12018 SAM 6 . SING CA HA no N 6 . 12018 SAM 7 . DOUB C O no N 7 . 12018 SAM 8 . SING C OXT no N 8 . 12018 SAM 9 . SING CB CG no N 9 . 12018 SAM 10 . SING CB HB1 no N 10 . 12018 SAM 11 . SING CB HB2 no N 11 . 12018 SAM 12 . SING CG SD no N 12 . 12018 SAM 13 . SING CG HG1 no N 13 . 12018 SAM 14 . SING CG HG2 no N 14 . 12018 SAM 15 . SING SD CE no N 15 . 12018 SAM 16 . SING SD C5' no N 16 . 12018 SAM 17 . SING CE HE1 no N 17 . 12018 SAM 18 . SING CE HE2 no N 18 . 12018 SAM 19 . SING CE HE3 no N 19 . 12018 SAM 20 . SING C5' C4' no N 20 . 12018 SAM 21 . SING C5' H5'1 no N 21 . 12018 SAM 22 . SING C5' H5'2 no N 22 . 12018 SAM 23 . SING C4' O4' no N 23 . 12018 SAM 24 . SING C4' C3' no N 24 . 12018 SAM 25 . SING C4' H4' no N 25 . 12018 SAM 26 . SING O4' C1' no N 26 . 12018 SAM 27 . SING C3' O3' no N 27 . 12018 SAM 28 . SING C3' C2' no N 28 . 12018 SAM 29 . SING C3' H3' no N 29 . 12018 SAM 30 . SING O3' HO3' no N 30 . 12018 SAM 31 . SING C2' O2' no N 31 . 12018 SAM 32 . SING C2' C1' no N 32 . 12018 SAM 33 . SING C2' H2' no N 33 . 12018 SAM 34 . SING O2' HO2' no N 34 . 12018 SAM 35 . SING C1' N9 no N 35 . 12018 SAM 36 . SING C1' H1' no N 36 . 12018 SAM 37 . SING N9 C8 yes N 37 . 12018 SAM 38 . SING N9 C4 yes N 38 . 12018 SAM 39 . DOUB C8 N7 yes N 39 . 12018 SAM 40 . SING C8 H8 no N 40 . 12018 SAM 41 . SING N7 C5 yes N 41 . 12018 SAM 42 . SING C5 C6 yes N 42 . 12018 SAM 43 . DOUB C5 C4 yes N 43 . 12018 SAM 44 . SING C6 N6 no N 44 . 12018 SAM 45 . DOUB C6 N1 yes N 45 . 12018 SAM 46 . SING N6 HN61 no N 46 . 12018 SAM 47 . SING N6 HN62 no N 47 . 12018 SAM 48 . SING N1 C2 yes N 48 . 12018 SAM 49 . DOUB C2 N3 yes N 49 . 12018 SAM 50 . SING C2 H2 no N 50 . 12018 SAM 51 . SING N3 C4 yes N 51 . 12018 SAM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12018 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, pH 7.4, 150 mM NaCl, 0.5mM EDTA, 1 mM DTT.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'YAP-binding domain of transcription factor TEAD4' '[U-13C; U-15N; U-2H]' 1 $assembly 1 $YAP-binding_domain_of_transcription_factor_TEAD4 . protein 0.8 . . mM . . . . 12018 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 12018 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 12018 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 12018 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 12018 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 12018 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 12018 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 12018 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 12018 1 pH 7.4 . pH 12018 1 pressure 1 . atm 12018 1 temperature 310 . K 12018 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 12018 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 12018 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 12018 1 'Johnson, One Moon Scientific' . . 12018 1 'Keller and Wuthrich' . . 12018 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 12018 1 processing 12018 1 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 12018 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 12018 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 12018 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 12018 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12018 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 12018 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 12018 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 1.000000000 . . . . . 12018 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 12018 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_TEAD_3JUA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode TEAD_3JUA _Assigned_chem_shift_list.Entry_ID 12018 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12018 1 2 '3D HNCACB' 1 $sample_1 isotropic 12018 1 4 '3D HNCA' 1 $sample_1 isotropic 12018 1 6 '3D HNCO' 1 $sample_1 isotropic 12018 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 $NMRPipe . . 12018 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 33 33 GLU H H 1 7.323 0.020 . 1 . . . . . 33 GLU H . 12018 1 2 . 1 1 33 33 GLU CA C 13 55.212 0.3 . 1 . . . . . 33 GLU CA . 12018 1 3 . 1 1 33 33 GLU CB C 13 34.013 0.3 . 1 . . . . . 33 GLU CB . 12018 1 4 . 1 1 33 33 GLU N N 15 115.712 0.3 . 1 . . . . . 33 GLU N . 12018 1 5 . 1 1 34 34 PHE H H 1 8.655 0.020 . 1 . . . . . 34 PHE H . 12018 1 6 . 1 1 34 34 PHE CA C 13 58.828 0.3 . 1 . . . . . 34 PHE CA . 12018 1 7 . 1 1 34 34 PHE CB C 13 42.786 0.3 . 1 . . . . . 34 PHE CB . 12018 1 8 . 1 1 34 34 PHE N N 15 124.295 0.3 . 1 . . . . . 34 PHE N . 12018 1 9 . 1 1 35 35 SER H H 1 8.778 0.020 . 1 . . . . . 35 SER H . 12018 1 10 . 1 1 35 35 SER CA C 13 58.077 0.3 . 1 . . . . . 35 SER CA . 12018 1 11 . 1 1 35 35 SER CB C 13 66.128 0.3 . 1 . . . . . 35 SER CB . 12018 1 12 . 1 1 35 35 SER N N 15 122.218 0.3 . 1 . . . . . 35 SER N . 12018 1 13 . 1 1 36 36 ALA H H 1 7.985 0.020 . 1 . . . . . 36 ALA H . 12018 1 14 . 1 1 36 36 ALA CA C 13 50.863 0.3 . 1 . . . . . 36 ALA CA . 12018 1 15 . 1 1 36 36 ALA CB C 13 22.341 0.3 . 1 . . . . . 36 ALA CB . 12018 1 16 . 1 1 36 36 ALA N N 15 122.573 0.3 . 1 . . . . . 36 ALA N . 12018 1 17 . 1 1 37 37 PHE H H 1 9.049 0.020 . 1 . . . . . 37 PHE H . 12018 1 18 . 1 1 37 37 PHE CA C 13 55.931 0.3 . 1 . . . . . 37 PHE CA . 12018 1 19 . 1 1 37 37 PHE CB C 13 43.993 0.3 . 1 . . . . . 37 PHE CB . 12018 1 20 . 1 1 37 37 PHE N N 15 120.904 0.3 . 1 . . . . . 37 PHE N . 12018 1 21 . 1 1 38 38 LEU H H 1 8.775 0.020 . 1 . . . . . 38 LEU H . 12018 1 22 . 1 1 38 38 LEU CA C 13 53.606 0.3 . 1 . . . . . 38 LEU CA . 12018 1 23 . 1 1 38 38 LEU CB C 13 44.702 0.3 . 1 . . . . . 38 LEU CB . 12018 1 24 . 1 1 38 38 LEU N N 15 121.660 0.3 . 1 . . . . . 38 LEU N . 12018 1 25 . 1 1 39 39 GLU H H 1 9.921 0.020 . 1 . . . . . 39 GLU H . 12018 1 26 . 1 1 39 39 GLU CA C 13 54.810 0.3 . 1 . . . . . 39 GLU CA . 12018 1 27 . 1 1 39 39 GLU CB C 13 33.771 0.3 . 1 . . . . . 39 GLU CB . 12018 1 28 . 1 1 39 39 GLU N N 15 128.831 0.3 . 1 . . . . . 39 GLU N . 12018 1 29 . 1 1 40 40 ARG H H 1 8.821 0.020 . 1 . . . . . 40 ARG H . 12018 1 30 . 1 1 40 40 ARG CA C 13 55.065 0.3 . 1 . . . . . 40 ARG CA . 12018 1 31 . 1 1 40 40 ARG CB C 13 32.966 0.3 . 1 . . . . . 40 ARG CB . 12018 1 32 . 1 1 40 40 ARG N N 15 125.064 0.3 . 1 . . . . . 40 ARG N . 12018 1 33 . 1 1 41 41 GLN H H 1 8.491 0.020 . 1 . . . . . 41 GLN H . 12018 1 34 . 1 1 41 41 GLN CA C 13 55.322 0.3 . 1 . . . . . 41 GLN CA . 12018 1 35 . 1 1 41 41 GLN CB C 13 30.310 0.3 . 1 . . . . . 41 GLN CB . 12018 1 36 . 1 1 41 41 GLN N N 15 124.014 0.3 . 1 . . . . . 41 GLN N . 12018 1 37 . 1 1 42 42 GLN H H 1 8.624 0.020 . 1 . . . . . 42 GLN H . 12018 1 38 . 1 1 42 42 GLN CA C 13 54.766 0.3 . 1 . . . . . 42 GLN CA . 12018 1 39 . 1 1 42 42 GLN CB C 13 31.276 0.3 . 1 . . . . . 42 GLN CB . 12018 1 40 . 1 1 42 42 GLN N N 15 124.536 0.3 . 1 . . . . . 42 GLN N . 12018 1 41 . 1 1 43 43 ASP H H 1 8.154 0.020 . 1 . . . . . 43 ASP H . 12018 1 42 . 1 1 43 43 ASP CA C 13 54.730 0.3 . 1 . . . . . 43 ASP CA . 12018 1 43 . 1 1 43 43 ASP CB C 13 41.015 0.3 . 1 . . . . . 43 ASP CB . 12018 1 44 . 1 1 43 43 ASP N N 15 120.955 0.3 . 1 . . . . . 43 ASP N . 12018 1 45 . 1 1 44 44 PRO CA C 13 65.784 0.3 . 1 . . . . . 44 PRO CA . 12018 1 46 . 1 1 44 44 PRO CB C 13 31.598 0.3 . 1 . . . . . 44 PRO CB . 12018 1 47 . 1 1 45 45 ASP H H 1 8.235 0.020 . 1 . . . . . 45 ASP H . 12018 1 48 . 1 1 45 45 ASP CA C 13 54.733 0.3 . 1 . . . . . 45 ASP CA . 12018 1 49 . 1 1 45 45 ASP CB C 13 42.545 0.3 . 1 . . . . . 45 ASP CB . 12018 1 50 . 1 1 45 45 ASP N N 15 114.838 0.3 . 1 . . . . . 45 ASP N . 12018 1 51 . 1 1 46 46 THR H H 1 7.778 0.020 . 1 . . . . . 46 THR H . 12018 1 52 . 1 1 46 46 THR CA C 13 62.570 0.3 . 1 . . . . . 46 THR CA . 12018 1 53 . 1 1 46 46 THR CB C 13 70.234 0.3 . 1 . . . . . 46 THR CB . 12018 1 54 . 1 1 46 46 THR N N 15 116.503 0.3 . 1 . . . . . 46 THR N . 12018 1 55 . 1 1 47 47 TYR H H 1 8.532 0.020 . 1 . . . . . 47 TYR H . 12018 1 56 . 1 1 47 47 TYR CA C 13 57.298 0.3 . 1 . . . . . 47 TYR CA . 12018 1 57 . 1 1 47 47 TYR CB C 13 40.049 0.3 . 1 . . . . . 47 TYR CB . 12018 1 58 . 1 1 47 47 TYR N N 15 125.491 0.3 . 1 . . . . . 47 TYR N . 12018 1 59 . 1 1 48 48 ASN H H 1 8.570 0.020 . 1 . . . . . 48 ASN H . 12018 1 60 . 1 1 48 48 ASN CA C 13 52.940 0.3 . 1 . . . . . 48 ASN CA . 12018 1 61 . 1 1 48 48 ASN CB C 13 41.418 0.3 . 1 . . . . . 48 ASN CB . 12018 1 62 . 1 1 48 48 ASN N N 15 122.292 0.3 . 1 . . . . . 48 ASN N . 12018 1 63 . 1 1 49 49 LYS H H 1 8.808 0.020 . 1 . . . . . 49 LYS H . 12018 1 64 . 1 1 49 49 LYS CA C 13 55.811 0.3 . 1 . . . . . 49 LYS CA . 12018 1 65 . 1 1 49 49 LYS CB C 13 34.540 0.3 . 1 . . . . . 49 LYS CB . 12018 1 66 . 1 1 49 49 LYS N N 15 125.080 0.3 . 1 . . . . . 49 LYS N . 12018 1 67 . 1 1 50 50 HIS H H 1 9.030 0.020 . 1 . . . . . 50 HIS H . 12018 1 68 . 1 1 50 50 HIS CA C 13 55.862 0.3 . 1 . . . . . 50 HIS CA . 12018 1 69 . 1 1 50 50 HIS CB C 13 33.139 0.3 . 1 . . . . . 50 HIS CB . 12018 1 70 . 1 1 50 50 HIS N N 15 127.105 0.3 . 1 . . . . . 50 HIS N . 12018 1 71 . 1 1 51 51 LEU H H 1 8.127 0.020 . 1 . . . . . 51 LEU H . 12018 1 72 . 1 1 51 51 LEU CA C 13 53.317 0.3 . 1 . . . . . 51 LEU CA . 12018 1 73 . 1 1 51 51 LEU CB C 13 40.693 0.3 . 1 . . . . . 51 LEU CB . 12018 1 74 . 1 1 51 51 LEU N N 15 127.355 0.3 . 1 . . . . . 51 LEU N . 12018 1 75 . 1 1 52 52 PHE H H 1 8.887 0.020 . 1 . . . . . 52 PHE H . 12018 1 76 . 1 1 52 52 PHE CA C 13 61.013 0.3 . 1 . . . . . 52 PHE CA . 12018 1 77 . 1 1 52 52 PHE CB C 13 41.418 0.3 . 1 . . . . . 52 PHE CB . 12018 1 78 . 1 1 52 52 PHE N N 15 122.820 0.3 . 1 . . . . . 52 PHE N . 12018 1 79 . 1 1 53 53 VAL H H 1 7.435 0.020 . 1 . . . . . 53 VAL H . 12018 1 80 . 1 1 53 53 VAL CA C 13 59.045 0.3 . 1 . . . . . 53 VAL CA . 12018 1 81 . 1 1 53 53 VAL CB C 13 35.300 0.3 . 1 . . . . . 53 VAL CB . 12018 1 82 . 1 1 53 53 VAL N N 15 104.230 0.3 . 1 . . . . . 53 VAL N . 12018 1 83 . 1 1 66 66 TYR H H 1 7.287 0.020 . 1 . . . . . 66 TYR H . 12018 1 84 . 1 1 66 66 TYR CA C 13 61.419 0.3 . 1 . . . . . 66 TYR CA . 12018 1 85 . 1 1 66 66 TYR N N 15 117.683 0.3 . 1 . . . . . 66 TYR N . 12018 1 86 . 1 1 67 67 LEU H H 1 8.342 0.020 . 1 . . . . . 67 LEU H . 12018 1 87 . 1 1 67 67 LEU CA C 13 54.990 0.3 . 1 . . . . . 67 LEU CA . 12018 1 88 . 1 1 67 67 LEU N N 15 125.756 0.3 . 1 . . . . . 67 LEU N . 12018 1 89 . 1 1 68 68 GLU H H 1 9.113 0.020 . 1 . . . . . 68 GLU H . 12018 1 90 . 1 1 68 68 GLU CA C 13 56.845 0.3 . 1 . . . . . 68 GLU CA . 12018 1 91 . 1 1 68 68 GLU CB C 13 31.356 0.3 . 1 . . . . . 68 GLU CB . 12018 1 92 . 1 1 68 68 GLU N N 15 124.182 0.3 . 1 . . . . . 68 GLU N . 12018 1 93 . 1 1 69 69 THR H H 1 8.302 0.020 . 1 . . . . . 69 THR H . 12018 1 94 . 1 1 69 69 THR CA C 13 59.806 0.3 . 1 . . . . . 69 THR CA . 12018 1 95 . 1 1 69 69 THR CB C 13 71.602 0.3 . 1 . . . . . 69 THR CB . 12018 1 96 . 1 1 69 69 THR N N 15 110.750 0.3 . 1 . . . . . 69 THR N . 12018 1 97 . 1 1 70 70 VAL H H 1 8.560 0.020 . 1 . . . . . 70 VAL H . 12018 1 98 . 1 1 70 70 VAL CA C 13 61.072 0.3 . 1 . . . . . 70 VAL CA . 12018 1 99 . 1 1 70 70 VAL CB C 13 35.876 0.3 . 1 . . . . . 70 VAL CB . 12018 1 100 . 1 1 70 70 VAL N N 15 121.483 0.3 . 1 . . . . . 70 VAL N . 12018 1 101 . 1 1 71 71 ASP H H 1 8.167 0.020 . 1 . . . . . 71 ASP H . 12018 1 102 . 1 1 71 71 ASP CA C 13 53.328 0.3 . 1 . . . . . 71 ASP CA . 12018 1 103 . 1 1 71 71 ASP CB C 13 41.981 0.3 . 1 . . . . . 71 ASP CB . 12018 1 104 . 1 1 71 71 ASP N N 15 127.144 0.3 . 1 . . . . . 71 ASP N . 12018 1 105 . 1 1 72 72 ILE H H 1 9.018 0.020 . 1 . . . . . 72 ILE H . 12018 1 106 . 1 1 72 72 ILE CA C 13 63.446 0.3 . 1 . . . . . 72 ILE CA . 12018 1 107 . 1 1 72 72 ILE CB C 13 38.440 0.3 . 1 . . . . . 72 ILE CB . 12018 1 108 . 1 1 72 72 ILE N N 15 129.816 0.3 . 1 . . . . . 72 ILE N . 12018 1 109 . 1 1 73 73 ARG H H 1 8.363 0.020 . 1 . . . . . 73 ARG H . 12018 1 110 . 1 1 73 73 ARG CA C 13 58.202 0.3 . 1 . . . . . 73 ARG CA . 12018 1 111 . 1 1 73 73 ARG CB C 13 28.861 0.3 . 1 . . . . . 73 ARG CB . 12018 1 112 . 1 1 73 73 ARG N N 15 120.990 0.3 . 1 . . . . . 73 ARG N . 12018 1 113 . 1 1 74 74 GLN H H 1 8.052 0.020 . 1 . . . . . 74 GLN H . 12018 1 114 . 1 1 74 74 GLN CA C 13 57.198 0.3 . 1 . . . . . 74 GLN CA . 12018 1 115 . 1 1 74 74 GLN CB C 13 28.700 0.3 . 1 . . . . . 74 GLN CB . 12018 1 116 . 1 1 74 74 GLN N N 15 115.440 0.3 . 1 . . . . . 74 GLN N . 12018 1 117 . 1 1 75 75 ILE H H 1 7.549 0.020 . 1 . . . . . 75 ILE H . 12018 1 118 . 1 1 75 75 ILE CA C 13 60.281 0.3 . 1 . . . . . 75 ILE CA . 12018 1 119 . 1 1 75 75 ILE CB C 13 39.083 0.3 . 1 . . . . . 75 ILE CB . 12018 1 120 . 1 1 75 75 ILE N N 15 111.072 0.3 . 1 . . . . . 75 ILE N . 12018 1 121 . 1 1 76 76 TYR H H 1 7.273 0.020 . 1 . . . . . 76 TYR H . 12018 1 122 . 1 1 76 76 TYR CA C 13 59.089 0.3 . 1 . . . . . 76 TYR CA . 12018 1 123 . 1 1 76 76 TYR CB C 13 37.071 0.3 . 1 . . . . . 76 TYR CB . 12018 1 124 . 1 1 76 76 TYR N N 15 121.224 0.3 . 1 . . . . . 76 TYR N . 12018 1 125 . 1 1 77 77 ASP H H 1 8.600 0.020 . 1 . . . . . 77 ASP H . 12018 1 126 . 1 1 77 77 ASP CA C 13 55.879 0.3 . 1 . . . . . 77 ASP CA . 12018 1 127 . 1 1 77 77 ASP CB C 13 39.727 0.3 . 1 . . . . . 77 ASP CB . 12018 1 128 . 1 1 77 77 ASP N N 15 115.470 0.3 . 1 . . . . . 77 ASP N . 12018 1 129 . 1 1 78 78 LYS H H 1 7.753 0.020 . 1 . . . . . 78 LYS H . 12018 1 130 . 1 1 78 78 LYS CA C 13 55.932 0.3 . 1 . . . . . 78 LYS CA . 12018 1 131 . 1 1 78 78 LYS CB C 13 32.322 0.3 . 1 . . . . . 78 LYS CB . 12018 1 132 . 1 1 78 78 LYS N N 15 117.971 0.3 . 1 . . . . . 78 LYS N . 12018 1 133 . 1 1 83 83 LYS CA C 13 57.768 0.3 . 1 . . . . . 83 LYS CA . 12018 1 134 . 1 1 84 84 GLY H H 1 9.317 0.020 . 1 . . . . . 84 GLY H . 12018 1 135 . 1 1 84 84 GLY CA C 13 45.664 0.3 . 1 . . . . . 84 GLY CA . 12018 1 136 . 1 1 84 84 GLY N N 15 114.952 0.3 . 1 . . . . . 84 GLY N . 12018 1 137 . 1 1 85 85 GLY H H 1 7.862 0.020 . 1 . . . . . 85 GLY H . 12018 1 138 . 1 1 85 85 GLY CA C 13 44.149 0.3 . 1 . . . . . 85 GLY CA . 12018 1 139 . 1 1 85 85 GLY N N 15 106.153 0.3 . 1 . . . . . 85 GLY N . 12018 1 140 . 1 1 86 86 LEU H H 1 7.803 0.020 . 1 . . . . . 86 LEU H . 12018 1 141 . 1 1 86 86 LEU CA C 13 58.598 0.3 . 1 . . . . . 86 LEU CA . 12018 1 142 . 1 1 86 86 LEU CB C 13 42.142 0.3 . 1 . . . . . 86 LEU CB . 12018 1 143 . 1 1 86 86 LEU N N 15 118.618 0.3 . 1 . . . . . 86 LEU N . 12018 1 144 . 1 1 87 87 LYS H H 1 8.484 0.020 . 1 . . . . . 87 LYS H . 12018 1 145 . 1 1 87 87 LYS CA C 13 60.459 0.3 . 1 . . . . . 87 LYS CA . 12018 1 146 . 1 1 87 87 LYS CB C 13 31.806 0.3 . 1 . . . . . 87 LYS CB . 12018 1 147 . 1 1 87 87 LYS N N 15 119.246 0.3 . 1 . . . . . 87 LYS N . 12018 1 148 . 1 1 88 88 GLU H H 1 7.959 0.020 . 1 . . . . . 88 GLU H . 12018 1 149 . 1 1 88 88 GLU CA C 13 59.632 0.3 . 1 . . . . . 88 GLU CA . 12018 1 150 . 1 1 88 88 GLU CB C 13 29.183 0.3 . 1 . . . . . 88 GLU CB . 12018 1 151 . 1 1 88 88 GLU N N 15 119.056 0.3 . 1 . . . . . 88 GLU N . 12018 1 152 . 1 1 89 89 LEU H H 1 8.347 0.020 . 1 . . . . . 89 LEU H . 12018 1 153 . 1 1 89 89 LEU CA C 13 58.217 0.3 . 1 . . . . . 89 LEU CA . 12018 1 154 . 1 1 89 89 LEU CB C 13 42.062 0.3 . 1 . . . . . 89 LEU CB . 12018 1 155 . 1 1 89 89 LEU N N 15 119.268 0.3 . 1 . . . . . 89 LEU N . 12018 1 156 . 1 1 90 90 PHE H H 1 9.048 0.020 . 1 . . . . . 90 PHE H . 12018 1 157 . 1 1 90 90 PHE CA C 13 61.600 0.3 . 1 . . . . . 90 PHE CA . 12018 1 158 . 1 1 90 90 PHE CB C 13 38.520 0.3 . 1 . . . . . 90 PHE CB . 12018 1 159 . 1 1 90 90 PHE N N 15 123.034 0.3 . 1 . . . . . 90 PHE N . 12018 1 160 . 1 1 91 91 GLU H H 1 8.052 0.020 . 1 . . . . . 91 GLU H . 12018 1 161 . 1 1 91 91 GLU CA C 13 58.882 0.3 . 1 . . . . . 91 GLU CA . 12018 1 162 . 1 1 91 91 GLU CB C 13 28.781 0.3 . 1 . . . . . 91 GLU CB . 12018 1 163 . 1 1 91 91 GLU N N 15 117.756 0.3 . 1 . . . . . 91 GLU N . 12018 1 164 . 1 1 92 92 ARG H H 1 7.479 0.020 . 1 . . . . . 92 ARG H . 12018 1 165 . 1 1 92 92 ARG CA C 13 58.280 0.3 . 1 . . . . . 92 ARG CA . 12018 1 166 . 1 1 92 92 ARG CB C 13 30.551 0.3 . 1 . . . . . 92 ARG CB . 12018 1 167 . 1 1 92 92 ARG N N 15 119.104 0.3 . 1 . . . . . 92 ARG N . 12018 1 168 . 1 1 93 93 GLY H H 1 7.493 0.020 . 1 . . . . . 93 GLY H . 12018 1 169 . 1 1 93 93 GLY CA C 13 44.458 0.3 . 1 . . . . . 93 GLY CA . 12018 1 170 . 1 1 93 93 GLY N N 15 106.153 0.3 . 1 . . . . . 93 GLY N . 12018 1 171 . 1 1 97 97 ALA H H 1 7.504 0.020 . 1 . . . . . 97 ALA H . 12018 1 172 . 1 1 97 97 ALA CA C 13 51.721 0.3 . 1 . . . . . 97 ALA CA . 12018 1 173 . 1 1 97 97 ALA CB C 13 19.444 0.3 . 1 . . . . . 97 ALA CB . 12018 1 174 . 1 1 97 97 ALA N N 15 118.881 0.3 . 1 . . . . . 97 ALA N . 12018 1 175 . 1 1 98 98 PHE H H 1 7.365 0.020 . 1 . . . . . 98 PHE H . 12018 1 176 . 1 1 98 98 PHE CA C 13 58.555 0.3 . 1 . . . . . 98 PHE CA . 12018 1 177 . 1 1 98 98 PHE CB C 13 42.062 0.3 . 1 . . . . . 98 PHE CB . 12018 1 178 . 1 1 98 98 PHE N N 15 117.579 0.3 . 1 . . . . . 98 PHE N . 12018 1 179 . 1 1 104 104 TRP H H 1 9.143 0.020 . 1 . . . . . 104 TRP H . 12018 1 180 . 1 1 104 104 TRP CA C 13 58.161 0.3 . 1 . . . . . 104 TRP CA . 12018 1 181 . 1 1 104 104 TRP CB C 13 29.988 0.3 . 1 . . . . . 104 TRP CB . 12018 1 182 . 1 1 104 104 TRP N N 15 123.769 0.3 . 1 . . . . . 104 TRP N . 12018 1 183 . 1 1 105 105 ALA H H 1 9.113 0.020 . 1 . . . . . 105 ALA H . 12018 1 184 . 1 1 105 105 ALA CA C 13 51.713 0.3 . 1 . . . . . 105 ALA CA . 12018 1 185 . 1 1 105 105 ALA CB C 13 20.651 0.3 . 1 . . . . . 105 ALA CB . 12018 1 186 . 1 1 105 105 ALA N N 15 123.924 0.3 . 1 . . . . . 105 ALA N . 12018 1 187 . 1 1 106 106 ASP H H 1 9.468 0.020 . 1 . . . . . 106 ASP H . 12018 1 188 . 1 1 106 106 ASP CA C 13 53.277 0.3 . 1 . . . . . 106 ASP CA . 12018 1 189 . 1 1 106 106 ASP CB C 13 41.096 0.3 . 1 . . . . . 106 ASP CB . 12018 1 190 . 1 1 106 106 ASP N N 15 122.459 0.3 . 1 . . . . . 106 ASP N . 12018 1 191 . 1 1 107 107 LEU H H 1 9.034 0.020 . 1 . . . . . 107 LEU H . 12018 1 192 . 1 1 107 107 LEU CA C 13 53.328 0.3 . 1 . . . . . 107 LEU CA . 12018 1 193 . 1 1 107 107 LEU CB C 13 40.961 0.3 . 1 . . . . . 107 LEU CB . 12018 1 194 . 1 1 107 107 LEU N N 15 128.064 0.3 . 1 . . . . . 107 LEU N . 12018 1 195 . 1 1 108 108 ASN H H 1 9.154 0.020 . 1 . . . . . 108 ASN H . 12018 1 196 . 1 1 108 108 ASN CA C 13 53.189 0.3 . 1 . . . . . 108 ASN CA . 12018 1 197 . 1 1 108 108 ASN CB C 13 36.669 0.3 . 1 . . . . . 108 ASN CB . 12018 1 198 . 1 1 108 108 ASN N N 15 123.068 0.3 . 1 . . . . . 108 ASN N . 12018 1 199 . 1 1 109 109 THR H H 1 7.767 0.020 . 1 . . . . . 109 THR H . 12018 1 200 . 1 1 109 109 THR CA C 13 60.154 0.3 . 1 . . . . . 109 THR CA . 12018 1 201 . 1 1 109 109 THR CB C 13 68.624 0.3 . 1 . . . . . 109 THR CB . 12018 1 202 . 1 1 109 109 THR N N 15 117.173 0.3 . 1 . . . . . 109 THR N . 12018 1 203 . 1 1 116 116 SER H H 1 8.846 0.020 . 1 . . . . . 116 SER H . 12018 1 204 . 1 1 116 116 SER CA C 13 58.471 0.3 . 1 . . . . . 116 SER CA . 12018 1 205 . 1 1 116 116 SER CB C 13 63.718 0.3 . 1 . . . . . 116 SER CB . 12018 1 206 . 1 1 116 116 SER N N 15 117.686 0.3 . 1 . . . . . 116 SER N . 12018 1 207 . 1 1 117 117 ALA H H 1 8.167 0.020 . 1 . . . . . 117 ALA H . 12018 1 208 . 1 1 117 117 ALA CA C 13 52.019 0.3 . 1 . . . . . 117 ALA CA . 12018 1 209 . 1 1 117 117 ALA CB C 13 21.113 0.3 . 1 . . . . . 117 ALA CB . 12018 1 210 . 1 1 117 117 ALA N N 15 126.686 0.3 . 1 . . . . . 117 ALA N . 12018 1 211 . 1 1 118 118 PHE H H 1 8.857 0.020 . 1 . . . . . 118 PHE H . 12018 1 212 . 1 1 118 118 PHE CA C 13 57.564 0.3 . 1 . . . . . 118 PHE CA . 12018 1 213 . 1 1 118 118 PHE CB C 13 41.901 0.3 . 1 . . . . . 118 PHE CB . 12018 1 214 . 1 1 118 118 PHE N N 15 122.670 0.3 . 1 . . . . . 118 PHE N . 12018 1 215 . 1 1 119 119 TYR H H 1 8.123 0.020 . 1 . . . . . 119 TYR H . 12018 1 216 . 1 1 119 119 TYR CA C 13 55.953 0.3 . 1 . . . . . 119 TYR CA . 12018 1 217 . 1 1 119 119 TYR CB C 13 39.486 0.3 . 1 . . . . . 119 TYR CB . 12018 1 218 . 1 1 119 119 TYR N N 15 128.625 0.3 . 1 . . . . . 119 TYR N . 12018 1 219 . 1 1 120 120 GLY H H 1 8.050 0.020 . 1 . . . . . 120 GLY H . 12018 1 220 . 1 1 120 120 GLY CA C 13 45.040 0.3 . 1 . . . . . 120 GLY CA . 12018 1 221 . 1 1 120 120 GLY N N 15 110.791 0.3 . 1 . . . . . 120 GLY N . 12018 1 222 . 1 1 121 121 VAL H H 1 8.717 0.020 . 1 . . . . . 121 VAL H . 12018 1 223 . 1 1 121 121 VAL CA C 13 59.403 0.3 . 1 . . . . . 121 VAL CA . 12018 1 224 . 1 1 121 121 VAL CB C 13 35.220 0.3 . 1 . . . . . 121 VAL CB . 12018 1 225 . 1 1 121 121 VAL N N 15 116.907 0.3 . 1 . . . . . 121 VAL N . 12018 1 226 . 1 1 122 122 SER H H 1 8.850 0.020 . 1 . . . . . 122 SER H . 12018 1 227 . 1 1 122 122 SER CA C 13 56.655 0.3 . 1 . . . . . 122 SER CA . 12018 1 228 . 1 1 122 122 SER CB C 13 67.497 0.3 . 1 . . . . . 122 SER CB . 12018 1 229 . 1 1 122 122 SER N N 15 121.110 0.3 . 1 . . . . . 122 SER N . 12018 1 230 . 1 1 123 123 SER H H 1 9.375 0.020 . 1 . . . . . 123 SER H . 12018 1 231 . 1 1 123 123 SER CA C 13 57.859 0.3 . 1 . . . . . 123 SER CA . 12018 1 232 . 1 1 123 123 SER CB C 13 66.320 0.3 . 1 . . . . . 123 SER CB . 12018 1 233 . 1 1 123 123 SER N N 15 116.552 0.3 . 1 . . . . . 123 SER N . 12018 1 234 . 1 1 124 124 GLN H H 1 8.284 0.020 . 1 . . . . . 124 GLN H . 12018 1 235 . 1 1 124 124 GLN CA C 13 55.215 0.3 . 1 . . . . . 124 GLN CA . 12018 1 236 . 1 1 124 124 GLN CB C 13 33.702 0.3 . 1 . . . . . 124 GLN CB . 12018 1 237 . 1 1 124 124 GLN N N 15 119.071 0.3 . 1 . . . . . 124 GLN N . 12018 1 238 . 1 1 125 125 TYR H H 1 9.439 0.020 . 1 . . . . . 125 TYR H . 12018 1 239 . 1 1 125 125 TYR CA C 13 56.030 0.3 . 1 . . . . . 125 TYR CA . 12018 1 240 . 1 1 125 125 TYR CB C 13 42.545 0.3 . 1 . . . . . 125 TYR CB . 12018 1 241 . 1 1 125 125 TYR N N 15 122.719 0.3 . 1 . . . . . 125 TYR N . 12018 1 242 . 1 1 126 126 GLU H H 1 9.039 0.020 . 1 . . . . . 126 GLU H . 12018 1 243 . 1 1 126 126 GLU CA C 13 54.871 0.3 . 1 . . . . . 126 GLU CA . 12018 1 244 . 1 1 126 126 GLU CB C 13 34.415 0.3 . 1 . . . . . 126 GLU CB . 12018 1 245 . 1 1 126 126 GLU N N 15 122.371 0.3 . 1 . . . . . 126 GLU N . 12018 1 246 . 1 1 127 127 SER H H 1 9.271 0.020 . 1 . . . . . 127 SER H . 12018 1 247 . 1 1 127 127 SER CA C 13 55.187 0.3 . 1 . . . . . 127 SER CA . 12018 1 248 . 1 1 127 127 SER CB C 13 67.819 0.3 . 1 . . . . . 127 SER CB . 12018 1 249 . 1 1 127 127 SER N N 15 117.739 0.3 . 1 . . . . . 127 SER N . 12018 1 250 . 1 1 128 128 PRO CA C 13 63.971 0.3 . 1 . . . . . 128 PRO CA . 12018 1 251 . 1 1 128 128 PRO CB C 13 32.700 0.3 . 1 . . . . . 128 PRO CB . 12018 1 252 . 1 1 129 129 GLU H H 1 8.356 0.020 . 1 . . . . . 129 GLU H . 12018 1 253 . 1 1 129 129 GLU CA C 13 54.667 0.3 . 1 . . . . . 129 GLU CA . 12018 1 254 . 1 1 129 129 GLU CB C 13 32.725 0.3 . 1 . . . . . 129 GLU CB . 12018 1 255 . 1 1 129 129 GLU N N 15 116.420 0.3 . 1 . . . . . 129 GLU N . 12018 1 256 . 1 1 130 130 ASN H H 1 8.202 0.020 . 1 . . . . . 130 ASN H . 12018 1 257 . 1 1 130 130 ASN CA C 13 53.119 0.3 . 1 . . . . . 130 ASN CA . 12018 1 258 . 1 1 130 130 ASN CB C 13 37.796 0.3 . 1 . . . . . 130 ASN CB . 12018 1 259 . 1 1 130 130 ASN N N 15 121.694 0.3 . 1 . . . . . 130 ASN N . 12018 1 260 . 1 1 131 131 MET H H 1 7.888 0.020 . 1 . . . . . 131 MET H . 12018 1 261 . 1 1 131 131 MET CA C 13 54.274 0.3 . 1 . . . . . 131 MET CA . 12018 1 262 . 1 1 131 131 MET CB C 13 36.588 0.3 . 1 . . . . . 131 MET CB . 12018 1 263 . 1 1 131 131 MET N N 15 125.315 0.3 . 1 . . . . . 131 MET N . 12018 1 264 . 1 1 132 132 ILE H H 1 8.771 0.020 . 1 . . . . . 132 ILE H . 12018 1 265 . 1 1 132 132 ILE CA C 13 62.327 0.3 . 1 . . . . . 132 ILE CA . 12018 1 266 . 1 1 132 132 ILE CB C 13 38.601 0.3 . 1 . . . . . 132 ILE CB . 12018 1 267 . 1 1 132 132 ILE N N 15 124.261 0.3 . 1 . . . . . 132 ILE N . 12018 1 268 . 1 1 133 133 ILE H H 1 8.290 0.020 . 1 . . . . . 133 ILE H . 12018 1 269 . 1 1 133 133 ILE CA C 13 58.816 0.3 . 1 . . . . . 133 ILE CA . 12018 1 270 . 1 1 133 133 ILE CB C 13 40.371 0.3 . 1 . . . . . 133 ILE CB . 12018 1 271 . 1 1 133 133 ILE N N 15 119.285 0.3 . 1 . . . . . 133 ILE N . 12018 1 272 . 1 1 134 134 THR H H 1 8.926 0.020 . 1 . . . . . 134 THR H . 12018 1 273 . 1 1 134 134 THR CA C 13 60.807 0.3 . 1 . . . . . 134 THR CA . 12018 1 274 . 1 1 134 134 THR CB C 13 70.849 0.3 . 1 . . . . . 134 THR CB . 12018 1 275 . 1 1 134 134 THR N N 15 117.304 0.3 . 1 . . . . . 134 THR N . 12018 1 276 . 1 1 135 135 CYS H H 1 9.722 0.020 . 1 . . . . . 135 CYS H . 12018 1 277 . 1 1 135 135 CYS CA C 13 57.167 0.3 . 1 . . . . . 135 CYS CA . 12018 1 278 . 1 1 135 135 CYS CB C 13 27.734 0.3 . 1 . . . . . 135 CYS CB . 12018 1 279 . 1 1 135 135 CYS N N 15 127.065 0.3 . 1 . . . . . 135 CYS N . 12018 1 280 . 1 1 136 136 SER H H 1 9.379 0.020 . 1 . . . . . 136 SER H . 12018 1 281 . 1 1 136 136 SER CA C 13 56.932 0.3 . 1 . . . . . 136 SER CA . 12018 1 282 . 1 1 136 136 SER CB C 13 63.553 0.3 . 1 . . . . . 136 SER CB . 12018 1 283 . 1 1 136 136 SER N N 15 127.107 0.3 . 1 . . . . . 136 SER N . 12018 1 284 . 1 1 139 139 VAL H H 1 8.827 0.020 . 1 . . . . . 139 VAL H . 12018 1 285 . 1 1 139 139 VAL CA C 13 62.313 0.3 . 1 . . . . . 139 VAL CA . 12018 1 286 . 1 1 139 139 VAL CB C 13 31.759 0.3 . 1 . . . . . 139 VAL CB . 12018 1 287 . 1 1 139 139 VAL N N 15 126.487 0.3 . 1 . . . . . 139 VAL N . 12018 1 288 . 1 1 140 140 CYS H H 1 8.994 0.020 . 1 . . . . . 140 CYS H . 12018 1 289 . 1 1 140 140 CYS CA C 13 57.516 0.3 . 1 . . . . . 140 CYS CA . 12018 1 290 . 1 1 140 140 CYS CB C 13 29.987 0.3 . 1 . . . . . 140 CYS CB . 12018 1 291 . 1 1 140 140 CYS N N 15 126.243 0.3 . 1 . . . . . 140 CYS N . 12018 1 292 . 1 1 141 141 SER H H 1 8.759 0.020 . 1 . . . . . 141 SER H . 12018 1 293 . 1 1 141 141 SER CA C 13 55.982 0.3 . 1 . . . . . 141 SER CA . 12018 1 294 . 1 1 141 141 SER CB C 13 64.760 0.3 . 1 . . . . . 141 SER CB . 12018 1 295 . 1 1 141 141 SER N N 15 116.608 0.3 . 1 . . . . . 141 SER N . 12018 1 296 . 1 1 142 142 PHE H H 1 9.295 0.020 . 1 . . . . . 142 PHE H . 12018 1 297 . 1 1 142 142 PHE CA C 13 60.316 0.3 . 1 . . . . . 142 PHE CA . 12018 1 298 . 1 1 142 142 PHE CB C 13 35.864 0.3 . 1 . . . . . 142 PHE CB . 12018 1 299 . 1 1 142 142 PHE N N 15 126.616 0.3 . 1 . . . . . 142 PHE N . 12018 1 300 . 1 1 143 143 GLY H H 1 8.807 0.020 . 1 . . . . . 143 GLY H . 12018 1 301 . 1 1 143 143 GLY CA C 13 45.257 0.3 . 1 . . . . . 143 GLY CA . 12018 1 302 . 1 1 143 143 GLY N N 15 104.079 0.3 . 1 . . . . . 143 GLY N . 12018 1 303 . 1 1 144 144 LYS H H 1 7.557 0.020 . 1 . . . . . 144 LYS H . 12018 1 304 . 1 1 144 144 LYS CA C 13 54.111 0.3 . 1 . . . . . 144 LYS CA . 12018 1 305 . 1 1 144 144 LYS CB C 13 33.771 0.3 . 1 . . . . . 144 LYS CB . 12018 1 306 . 1 1 144 144 LYS N N 15 119.050 0.3 . 1 . . . . . 144 LYS N . 12018 1 307 . 1 1 145 145 GLN H H 1 8.977 0.020 . 1 . . . . . 145 GLN H . 12018 1 308 . 1 1 145 145 GLN CA C 13 57.198 0.3 . 1 . . . . . 145 GLN CA . 12018 1 309 . 1 1 145 145 GLN CB C 13 29.344 0.3 . 1 . . . . . 145 GLN CB . 12018 1 310 . 1 1 145 145 GLN N N 15 124.553 0.3 . 1 . . . . . 145 GLN N . 12018 1 311 . 1 1 152 152 THR H H 1 9.477 0.020 . 1 . . . . . 152 THR H . 12018 1 312 . 1 1 152 152 THR CA C 13 62.469 0.3 . 1 . . . . . 152 THR CA . 12018 1 313 . 1 1 152 152 THR CB C 13 70.304 0.3 . 1 . . . . . 152 THR CB . 12018 1 314 . 1 1 152 152 THR N N 15 124.162 0.3 . 1 . . . . . 152 THR N . 12018 1 315 . 1 1 153 153 GLU H H 1 9.472 0.020 . 1 . . . . . 153 GLU H . 12018 1 316 . 1 1 153 153 GLU CA C 13 55.027 0.3 . 1 . . . . . 153 GLU CA . 12018 1 317 . 1 1 153 153 GLU CB C 13 34.472 0.3 . 1 . . . . . 153 GLU CB . 12018 1 318 . 1 1 153 153 GLU N N 15 126.405 0.3 . 1 . . . . . 153 GLU N . 12018 1 319 . 1 1 154 154 TYR H H 1 8.427 0.020 . 1 . . . . . 154 TYR H . 12018 1 320 . 1 1 154 154 TYR CA C 13 56.796 0.3 . 1 . . . . . 154 TYR CA . 12018 1 321 . 1 1 154 154 TYR CB C 13 40.081 0.3 . 1 . . . . . 154 TYR CB . 12018 1 322 . 1 1 154 154 TYR N N 15 120.150 0.3 . 1 . . . . . 154 TYR N . 12018 1 323 . 1 1 155 155 ALA H H 1 8.613 0.020 . 1 . . . . . 155 ALA H . 12018 1 324 . 1 1 155 155 ALA CA C 13 52.526 0.3 . 1 . . . . . 155 ALA CA . 12018 1 325 . 1 1 155 155 ALA CB C 13 20.812 0.3 . 1 . . . . . 155 ALA CB . 12018 1 326 . 1 1 155 155 ALA N N 15 123.979 0.3 . 1 . . . . . 155 ALA N . 12018 1 327 . 1 1 156 156 ARG H H 1 8.908 0.020 . 1 . . . . . 156 ARG H . 12018 1 328 . 1 1 156 156 ARG CA C 13 54.742 0.3 . 1 . . . . . 156 ARG CA . 12018 1 329 . 1 1 156 156 ARG CB C 13 31.759 0.3 . 1 . . . . . 156 ARG CB . 12018 1 330 . 1 1 156 156 ARG N N 15 121.269 0.3 . 1 . . . . . 156 ARG N . 12018 1 331 . 1 1 157 157 TYR H H 1 8.856 0.020 . 1 . . . . . 157 TYR H . 12018 1 332 . 1 1 157 157 TYR CA C 13 57.355 0.3 . 1 . . . . . 157 TYR CA . 12018 1 333 . 1 1 157 157 TYR CB C 13 38.292 0.3 . 1 . . . . . 157 TYR CB . 12018 1 334 . 1 1 157 157 TYR N N 15 126.969 0.3 . 1 . . . . . 157 TYR N . 12018 1 335 . 1 1 158 158 GLU H H 1 8.591 0.020 . 1 . . . . . 158 GLU H . 12018 1 336 . 1 1 158 158 GLU CA C 13 55.745 0.3 . 1 . . . . . 158 GLU CA . 12018 1 337 . 1 1 158 158 GLU CB C 13 32.000 0.3 . 1 . . . . . 158 GLU CB . 12018 1 338 . 1 1 158 158 GLU N N 15 129.152 0.3 . 1 . . . . . 158 GLU N . 12018 1 339 . 1 1 159 159 ASN CA C 13 54.202 0.3 . 1 . . . . . 159 ASN CA . 12018 1 340 . 1 1 159 159 ASN CB C 13 37.680 0.3 . 1 . . . . . 159 ASN CB . 12018 1 341 . 1 1 160 160 GLY H H 1 6.838 0.020 . 1 . . . . . 160 GLY H . 12018 1 342 . 1 1 160 160 GLY CA C 13 45.399 0.3 . 1 . . . . . 160 GLY CA . 12018 1 343 . 1 1 160 160 GLY N N 15 102.180 0.3 . 1 . . . . . 160 GLY N . 12018 1 344 . 1 1 161 161 HIS H H 1 7.310 0.020 . 1 . . . . . 161 HIS H . 12018 1 345 . 1 1 161 161 HIS CA C 13 54.323 0.3 . 1 . . . . . 161 HIS CA . 12018 1 346 . 1 1 161 161 HIS CB C 13 31.678 0.3 . 1 . . . . . 161 HIS CB . 12018 1 347 . 1 1 161 161 HIS N N 15 118.635 0.3 . 1 . . . . . 161 HIS N . 12018 1 348 . 1 1 162 162 TYR H H 1 8.794 0.020 . 1 . . . . . 162 TYR H . 12018 1 349 . 1 1 162 162 TYR CA C 13 58.785 0.3 . 1 . . . . . 162 TYR CA . 12018 1 350 . 1 1 162 162 TYR CB C 13 38.359 0.3 . 1 . . . . . 162 TYR CB . 12018 1 351 . 1 1 162 162 TYR N N 15 119.271 0.3 . 1 . . . . . 162 TYR N . 12018 1 352 . 1 1 163 163 LEU H H 1 8.988 0.020 . 1 . . . . . 163 LEU H . 12018 1 353 . 1 1 163 163 LEU CA C 13 53.385 0.3 . 1 . . . . . 163 LEU CA . 12018 1 354 . 1 1 163 163 LEU CB C 13 45.120 0.3 . 1 . . . . . 163 LEU CB . 12018 1 355 . 1 1 163 163 LEU N N 15 124.941 0.3 . 1 . . . . . 163 LEU N . 12018 1 356 . 1 1 164 164 TYR H H 1 9.082 0.020 . 1 . . . . . 164 TYR H . 12018 1 357 . 1 1 164 164 TYR CA C 13 55.972 0.3 . 1 . . . . . 164 TYR CA . 12018 1 358 . 1 1 164 164 TYR CB C 13 40.210 0.3 . 1 . . . . . 164 TYR CB . 12018 1 359 . 1 1 164 164 TYR N N 15 121.591 0.3 . 1 . . . . . 164 TYR N . 12018 1 360 . 1 1 166 166 ILE H H 1 8.851 0.020 . 1 . . . . . 166 ILE H . 12018 1 361 . 1 1 166 166 ILE CA C 13 61.599 0.3 . 1 . . . . . 166 ILE CA . 12018 1 362 . 1 1 166 166 ILE CB C 13 37.152 0.3 . 1 . . . . . 166 ILE CB . 12018 1 363 . 1 1 166 166 ILE N N 15 127.534 0.3 . 1 . . . . . 166 ILE N . 12018 1 364 . 1 1 167 167 HIS H H 1 9.039 0.020 . 1 . . . . . 167 HIS H . 12018 1 365 . 1 1 167 167 HIS CA C 13 56.205 0.3 . 1 . . . . . 167 HIS CA . 12018 1 366 . 1 1 167 167 HIS N N 15 128.201 0.3 . 1 . . . . . 167 HIS N . 12018 1 367 . 1 1 168 168 ARG H H 1 9.101 0.020 . 1 . . . . . 168 ARG H . 12018 1 368 . 1 1 168 168 ARG CA C 13 57.465 0.3 . 1 . . . . . 168 ARG CA . 12018 1 369 . 1 1 168 168 ARG CB C 13 33.537 0.3 . 1 . . . . . 168 ARG CB . 12018 1 370 . 1 1 168 168 ARG N N 15 125.280 0.3 . 1 . . . . . 168 ARG N . 12018 1 371 . 1 1 169 169 SER H H 1 8.880 0.020 . 1 . . . . . 169 SER H . 12018 1 372 . 1 1 169 169 SER CA C 13 56.570 0.3 . 1 . . . . . 169 SER CA . 12018 1 373 . 1 1 169 169 SER N N 15 119.039 0.3 . 1 . . . . . 169 SER N . 12018 1 374 . 1 1 176 176 ILE H H 1 7.734 0.020 . 1 . . . . . 176 ILE H . 12018 1 375 . 1 1 176 176 ILE CA C 13 66.333 0.3 . 1 . . . . . 176 ILE CA . 12018 1 376 . 1 1 176 176 ILE CB C 13 37.432 0.3 . 1 . . . . . 176 ILE CB . 12018 1 377 . 1 1 176 176 ILE N N 15 122.145 0.3 . 1 . . . . . 176 ILE N . 12018 1 378 . 1 1 177 177 ASN H H 1 8.190 0.020 . 1 . . . . . 177 ASN H . 12018 1 379 . 1 1 177 177 ASN CA C 13 56.226 0.3 . 1 . . . . . 177 ASN CA . 12018 1 380 . 1 1 177 177 ASN CB C 13 41.820 0.3 . 1 . . . . . 177 ASN CB . 12018 1 381 . 1 1 177 177 ASN N N 15 117.228 0.3 . 1 . . . . . 177 ASN N . 12018 1 382 . 1 1 178 178 PHE H H 1 8.175 0.020 . 1 . . . . . 178 PHE H . 12018 1 383 . 1 1 178 178 PHE CA C 13 61.365 0.3 . 1 . . . . . 178 PHE CA . 12018 1 384 . 1 1 178 178 PHE N N 15 123.118 0.3 . 1 . . . . . 178 PHE N . 12018 1 385 . 1 1 179 179 ILE H H 1 7.937 0.020 . 1 . . . . . 179 ILE H . 12018 1 386 . 1 1 179 179 ILE CA C 13 66.336 0.3 . 1 . . . . . 179 ILE CA . 12018 1 387 . 1 1 179 179 ILE CB C 13 37.393 0.3 . 1 . . . . . 179 ILE CB . 12018 1 388 . 1 1 179 179 ILE N N 15 119.936 0.3 . 1 . . . . . 179 ILE N . 12018 1 389 . 1 1 180 180 HIS H H 1 7.822 0.020 . 1 . . . . . 180 HIS H . 12018 1 390 . 1 1 180 180 HIS CA C 13 60.318 0.3 . 1 . . . . . 180 HIS CA . 12018 1 391 . 1 1 180 180 HIS CB C 13 29.908 0.3 . 1 . . . . . 180 HIS CB . 12018 1 392 . 1 1 180 180 HIS N N 15 118.362 0.3 . 1 . . . . . 180 HIS N . 12018 1 393 . 1 1 181 181 LYS H H 1 8.113 0.020 . 1 . . . . . 181 LYS H . 12018 1 394 . 1 1 181 181 LYS CA C 13 59.250 0.3 . 1 . . . . . 181 LYS CA . 12018 1 395 . 1 1 181 181 LYS CB C 13 31.437 0.3 . 1 . . . . . 181 LYS CB . 12018 1 396 . 1 1 181 181 LYS N N 15 119.450 0.3 . 1 . . . . . 181 LYS N . 12018 1 397 . 1 1 182 182 LEU H H 1 7.861 0.020 . 1 . . . . . 182 LEU H . 12018 1 398 . 1 1 182 182 LEU CA C 13 57.677 0.3 . 1 . . . . . 182 LEU CA . 12018 1 399 . 1 1 182 182 LEU CB C 13 41.960 0.3 . 1 . . . . . 182 LEU CB . 12018 1 400 . 1 1 182 182 LEU N N 15 120.238 0.3 . 1 . . . . . 182 LEU N . 12018 1 401 . 1 1 183 183 LYS H H 1 7.759 0.020 . 1 . . . . . 183 LYS H . 12018 1 402 . 1 1 183 183 LYS CA C 13 57.480 0.3 . 1 . . . . . 183 LYS CA . 12018 1 403 . 1 1 183 183 LYS CB C 13 30.632 0.3 . 1 . . . . . 183 LYS CB . 12018 1 404 . 1 1 183 183 LYS N N 15 114.348 0.3 . 1 . . . . . 183 LYS N . 12018 1 405 . 1 1 184 184 HIS H H 1 7.366 0.020 . 1 . . . . . 184 HIS H . 12018 1 406 . 1 1 184 184 HIS CA C 13 56.720 0.3 . 1 . . . . . 184 HIS CA . 12018 1 407 . 1 1 184 184 HIS CB C 13 29.908 0.3 . 1 . . . . . 184 HIS CB . 12018 1 408 . 1 1 184 184 HIS N N 15 115.787 0.3 . 1 . . . . . 184 HIS N . 12018 1 409 . 1 1 185 185 LEU H H 1 7.505 0.020 . 1 . . . . . 185 LEU H . 12018 1 410 . 1 1 185 185 LEU CA C 13 53.358 0.3 . 1 . . . . . 185 LEU CA . 12018 1 411 . 1 1 185 185 LEU CB C 13 40.854 0.3 . 1 . . . . . 185 LEU CB . 12018 1 412 . 1 1 185 185 LEU N N 15 123.663 0.3 . 1 . . . . . 185 LEU N . 12018 1 413 . 1 1 190 190 MET H H 1 6.912 0.020 . 1 . . . . . 190 MET H . 12018 1 414 . 1 1 190 190 MET CA C 13 57.999 0.3 . 1 . . . . . 190 MET CA . 12018 1 415 . 1 1 190 190 MET CB C 13 32.966 0.3 . 1 . . . . . 190 MET CB . 12018 1 416 . 1 1 190 190 MET N N 15 121.210 0.3 . 1 . . . . . 190 MET N . 12018 1 417 . 1 1 191 191 MET H H 1 7.461 0.020 . 1 . . . . . 191 MET H . 12018 1 418 . 1 1 191 191 MET CA C 13 59.388 0.3 . 1 . . . . . 191 MET CA . 12018 1 419 . 1 1 191 191 MET CB C 13 32.725 0.3 . 1 . . . . . 191 MET CB . 12018 1 420 . 1 1 191 191 MET N N 15 119.162 0.3 . 1 . . . . . 191 MET N . 12018 1 421 . 1 1 192 192 ASN H H 1 8.330 0.020 . 1 . . . . . 192 ASN H . 12018 1 422 . 1 1 192 192 ASN CA C 13 56.307 0.3 . 1 . . . . . 192 ASN CA . 12018 1 423 . 1 1 192 192 ASN CB C 13 37.474 0.3 . 1 . . . . . 192 ASN CB . 12018 1 424 . 1 1 192 192 ASN N N 15 117.369 0.3 . 1 . . . . . 192 ASN N . 12018 1 425 . 1 1 193 193 SER H H 1 7.872 0.020 . 1 . . . . . 193 SER H . 12018 1 426 . 1 1 193 193 SER CA C 13 61.901 0.3 . 1 . . . . . 193 SER CA . 12018 1 427 . 1 1 193 193 SER CB C 13 62.823 0.3 . 1 . . . . . 193 SER CB . 12018 1 428 . 1 1 193 193 SER N N 15 116.194 0.3 . 1 . . . . . 193 SER N . 12018 1 429 . 1 1 194 194 VAL H H 1 7.506 0.020 . 1 . . . . . 194 VAL H . 12018 1 430 . 1 1 194 194 VAL CA C 13 66.056 0.3 . 1 . . . . . 194 VAL CA . 12018 1 431 . 1 1 194 194 VAL CB C 13 31.276 0.3 . 1 . . . . . 194 VAL CB . 12018 1 432 . 1 1 194 194 VAL N N 15 122.045 0.3 . 1 . . . . . 194 VAL N . 12018 1 433 . 1 1 195 195 LEU H H 1 8.234 0.020 . 1 . . . . . 195 LEU H . 12018 1 434 . 1 1 195 195 LEU CA C 13 57.122 0.3 . 1 . . . . . 195 LEU CA . 12018 1 435 . 1 1 195 195 LEU CB C 13 41.176 0.3 . 1 . . . . . 195 LEU CB . 12018 1 436 . 1 1 195 195 LEU N N 15 119.506 0.3 . 1 . . . . . 195 LEU N . 12018 1 437 . 1 1 196 196 GLU H H 1 7.923 0.020 . 1 . . . . . 196 GLU H . 12018 1 438 . 1 1 196 196 GLU CA C 13 59.367 0.3 . 1 . . . . . 196 GLU CA . 12018 1 439 . 1 1 196 196 GLU CB C 13 29.560 0.3 . 1 . . . . . 196 GLU CB . 12018 1 440 . 1 1 196 196 GLU N N 15 120.667 0.3 . 1 . . . . . 196 GLU N . 12018 1 441 . 1 1 197 197 ASN H H 1 7.137 0.020 . 1 . . . . . 197 ASN H . 12018 1 442 . 1 1 197 197 ASN CA C 13 52.476 0.3 . 1 . . . . . 197 ASN CA . 12018 1 443 . 1 1 197 197 ASN CB C 13 39.258 0.3 . 1 . . . . . 197 ASN CB . 12018 1 444 . 1 1 197 197 ASN N N 15 113.035 0.3 . 1 . . . . . 197 ASN N . 12018 1 445 . 1 1 198 198 PHE H H 1 7.807 0.020 . 1 . . . . . 198 PHE H . 12018 1 446 . 1 1 198 198 PHE CA C 13 57.541 0.3 . 1 . . . . . 198 PHE CA . 12018 1 447 . 1 1 198 198 PHE CB C 13 42.223 0.3 . 1 . . . . . 198 PHE CB . 12018 1 448 . 1 1 198 198 PHE N N 15 126.194 0.3 . 1 . . . . . 198 PHE N . 12018 1 449 . 1 1 199 199 THR H H 1 8.394 0.020 . 1 . . . . . 199 THR H . 12018 1 450 . 1 1 199 199 THR CA C 13 59.217 0.3 . 1 . . . . . 199 THR CA . 12018 1 451 . 1 1 199 199 THR CB C 13 72.568 0.3 . 1 . . . . . 199 THR CB . 12018 1 452 . 1 1 199 199 THR N N 15 117.767 0.3 . 1 . . . . . 199 THR N . 12018 1 453 . 1 1 200 200 ILE H H 1 8.375 0.020 . 1 . . . . . 200 ILE H . 12018 1 454 . 1 1 200 200 ILE CA C 13 61.127 0.3 . 1 . . . . . 200 ILE CA . 12018 1 455 . 1 1 200 200 ILE CB C 13 38.440 0.3 . 1 . . . . . 200 ILE CB . 12018 1 456 . 1 1 200 200 ILE N N 15 121.588 0.3 . 1 . . . . . 200 ILE N . 12018 1 457 . 1 1 205 205 THR H H 1 9.301 0.020 . 1 . . . . . 205 THR H . 12018 1 458 . 1 1 205 205 THR CA C 13 59.850 0.3 . 1 . . . . . 205 THR CA . 12018 1 459 . 1 1 205 205 THR CB C 13 72.085 0.3 . 1 . . . . . 205 THR CB . 12018 1 460 . 1 1 205 205 THR N N 15 121.341 0.3 . 1 . . . . . 205 THR N . 12018 1 461 . 1 1 206 206 ASN H H 1 8.076 0.020 . 1 . . . . . 206 ASN H . 12018 1 462 . 1 1 206 206 ASN CA C 13 52.756 0.3 . 1 . . . . . 206 ASN CA . 12018 1 463 . 1 1 206 206 ASN CB C 13 39.244 0.3 . 1 . . . . . 206 ASN CB . 12018 1 464 . 1 1 206 206 ASN N N 15 120.819 0.3 . 1 . . . . . 206 ASN N . 12018 1 465 . 1 1 207 207 ARG H H 1 9.164 0.020 . 1 . . . . . 207 ARG H . 12018 1 466 . 1 1 207 207 ARG CA C 13 59.448 0.3 . 1 . . . . . 207 ARG CA . 12018 1 467 . 1 1 207 207 ARG CB C 13 30.471 0.3 . 1 . . . . . 207 ARG CB . 12018 1 468 . 1 1 207 207 ARG N N 15 130.086 0.3 . 1 . . . . . 207 ARG N . 12018 1 469 . 1 1 208 208 ASP H H 1 7.962 0.020 . 1 . . . . . 208 ASP H . 12018 1 470 . 1 1 208 208 ASP CA C 13 56.948 0.3 . 1 . . . . . 208 ASP CA . 12018 1 471 . 1 1 208 208 ASP CB C 13 41.820 0.3 . 1 . . . . . 208 ASP CB . 12018 1 472 . 1 1 208 208 ASP N N 15 114.556 0.3 . 1 . . . . . 208 ASP N . 12018 1 473 . 1 1 209 209 THR H H 1 7.277 0.020 . 1 . . . . . 209 THR H . 12018 1 474 . 1 1 209 209 THR CA C 13 61.670 0.3 . 1 . . . . . 209 THR CA . 12018 1 475 . 1 1 209 209 THR CB C 13 70.475 0.3 . 1 . . . . . 209 THR CB . 12018 1 476 . 1 1 209 209 THR N N 15 107.841 0.3 . 1 . . . . . 209 THR N . 12018 1 477 . 1 1 210 210 GLN H H 1 8.532 0.020 . 1 . . . . . 210 GLN H . 12018 1 478 . 1 1 210 210 GLN CA C 13 57.796 0.3 . 1 . . . . . 210 GLN CA . 12018 1 479 . 1 1 210 210 GLN CB C 13 25.942 0.3 . 1 . . . . . 210 GLN CB . 12018 1 480 . 1 1 210 210 GLN N N 15 115.541 0.3 . 1 . . . . . 210 GLN N . 12018 1 481 . 1 1 211 211 GLU H H 1 7.785 0.020 . 1 . . . . . 211 GLU H . 12018 1 482 . 1 1 211 211 GLU CA C 13 56.725 0.3 . 1 . . . . . 211 GLU CA . 12018 1 483 . 1 1 211 211 GLU CB C 13 30.733 0.3 . 1 . . . . . 211 GLU CB . 12018 1 484 . 1 1 211 211 GLU N N 15 121.166 0.3 . 1 . . . . . 211 GLU N . 12018 1 485 . 1 1 212 212 THR H H 1 9.148 0.020 . 1 . . . . . 212 THR H . 12018 1 486 . 1 1 212 212 THR CA C 13 63.916 0.3 . 1 . . . . . 212 THR CA . 12018 1 487 . 1 1 212 212 THR CB C 13 67.980 0.3 . 1 . . . . . 212 THR CB . 12018 1 488 . 1 1 212 212 THR N N 15 124.561 0.3 . 1 . . . . . 212 THR N . 12018 1 489 . 1 1 213 213 LEU H H 1 9.147 0.020 . 1 . . . . . 213 LEU H . 12018 1 490 . 1 1 213 213 LEU CA C 13 55.168 0.3 . 1 . . . . . 213 LEU CA . 12018 1 491 . 1 1 213 213 LEU CB C 13 43.041 0.3 . 1 . . . . . 213 LEU CB . 12018 1 492 . 1 1 213 213 LEU N N 15 128.530 0.3 . 1 . . . . . 213 LEU N . 12018 1 493 . 1 1 220 220 PHE H H 1 9.657 0.020 . 1 . . . . . 220 PHE H . 12018 1 494 . 1 1 220 220 PHE CA C 13 58.833 0.3 . 1 . . . . . 220 PHE CA . 12018 1 495 . 1 1 220 220 PHE CB C 13 46.006 0.3 . 1 . . . . . 220 PHE CB . 12018 1 496 . 1 1 220 220 PHE N N 15 117.993 0.3 . 1 . . . . . 220 PHE N . 12018 1 497 . 1 1 221 221 GLU H H 1 8.884 0.020 . 1 . . . . . 221 GLU H . 12018 1 498 . 1 1 221 221 GLU CA C 13 55.928 0.3 . 1 . . . . . 221 GLU CA . 12018 1 499 . 1 1 221 221 GLU CB C 13 35.100 0.3 . 1 . . . . . 221 GLU CB . 12018 1 500 . 1 1 221 221 GLU N N 15 121.084 0.3 . 1 . . . . . 221 GLU N . 12018 1 501 . 1 1 222 222 VAL H H 1 9.337 0.020 . 1 . . . . . 222 VAL H . 12018 1 502 . 1 1 222 222 VAL CA C 13 62.518 0.3 . 1 . . . . . 222 VAL CA . 12018 1 503 . 1 1 222 222 VAL CB C 13 32.886 0.3 . 1 . . . . . 222 VAL CB . 12018 1 504 . 1 1 222 222 VAL N N 15 120.255 0.3 . 1 . . . . . 222 VAL N . 12018 1 505 . 1 1 223 223 SER H H 1 9.266 0.020 . 1 . . . . . 223 SER H . 12018 1 506 . 1 1 223 223 SER CA C 13 59.322 0.3 . 1 . . . . . 223 SER CA . 12018 1 507 . 1 1 223 223 SER CB C 13 63.714 0.3 . 1 . . . . . 223 SER CB . 12018 1 508 . 1 1 223 223 SER N N 15 120.147 0.3 . 1 . . . . . 223 SER N . 12018 1 509 . 1 1 227 227 HIS H H 1 7.938 0.020 . 1 . . . . . 227 HIS H . 12018 1 510 . 1 1 227 227 HIS CA C 13 55.987 0.3 . 1 . . . . . 227 HIS CA . 12018 1 511 . 1 1 227 227 HIS CB C 13 31.598 0.3 . 1 . . . . . 227 HIS CB . 12018 1 512 . 1 1 227 227 HIS N N 15 116.349 0.3 . 1 . . . . . 227 HIS N . 12018 1 513 . 1 1 228 228 GLY H H 1 8.261 0.020 . 1 . . . . . 228 GLY H . 12018 1 514 . 1 1 228 228 GLY CA C 13 45.042 0.3 . 1 . . . . . 228 GLY CA . 12018 1 515 . 1 1 228 228 GLY N N 15 110.870 0.3 . 1 . . . . . 228 GLY N . 12018 1 516 . 1 1 229 229 ALA H H 1 8.602 0.020 . 1 . . . . . 229 ALA H . 12018 1 517 . 1 1 229 229 ALA CA C 13 51.962 0.3 . 1 . . . . . 229 ALA CA . 12018 1 518 . 1 1 229 229 ALA CB C 13 21.134 0.3 . 1 . . . . . 229 ALA CB . 12018 1 519 . 1 1 229 229 ALA N N 15 125.737 0.3 . 1 . . . . . 229 ALA N . 12018 1 520 . 1 1 230 230 GLN H H 1 8.901 0.020 . 1 . . . . . 230 GLN H . 12018 1 521 . 1 1 230 230 GLN CA C 13 55.327 0.3 . 1 . . . . . 230 GLN CA . 12018 1 522 . 1 1 230 230 GLN CB C 13 32.966 0.3 . 1 . . . . . 230 GLN CB . 12018 1 523 . 1 1 230 230 GLN N N 15 118.669 0.3 . 1 . . . . . 230 GLN N . 12018 1 524 . 1 1 231 231 HIS H H 1 8.787 0.020 . 1 . . . . . 231 HIS H . 12018 1 525 . 1 1 231 231 HIS CA C 13 56.451 0.3 . 1 . . . . . 231 HIS CA . 12018 1 526 . 1 1 231 231 HIS CB C 13 33.691 0.3 . 1 . . . . . 231 HIS CB . 12018 1 527 . 1 1 231 231 HIS N N 15 119.307 0.3 . 1 . . . . . 231 HIS N . 12018 1 528 . 1 1 232 232 HIS H H 1 9.314 0.020 . 1 . . . . . 232 HIS H . 12018 1 529 . 1 1 232 232 HIS CA C 13 55.835 0.3 . 1 . . . . . 232 HIS CA . 12018 1 530 . 1 1 232 232 HIS CB C 13 34.690 0.3 . 1 . . . . . 232 HIS CB . 12018 1 531 . 1 1 232 232 HIS N N 15 121.269 0.3 . 1 . . . . . 232 HIS N . 12018 1 532 . 1 1 233 233 ILE H H 1 8.272 0.020 . 1 . . . . . 233 ILE H . 12018 1 533 . 1 1 233 233 ILE CA C 13 61.275 0.3 . 1 . . . . . 233 ILE CA . 12018 1 534 . 1 1 233 233 ILE CB C 13 39.888 0.3 . 1 . . . . . 233 ILE CB . 12018 1 535 . 1 1 233 233 ILE N N 15 125.280 0.3 . 1 . . . . . 233 ILE N . 12018 1 536 . 1 1 234 234 TYR H H 1 9.702 0.020 . 1 . . . . . 234 TYR H . 12018 1 537 . 1 1 234 234 TYR CA C 13 55.947 0.3 . 1 . . . . . 234 TYR CA . 12018 1 538 . 1 1 234 234 TYR CB C 13 42.062 0.3 . 1 . . . . . 234 TYR CB . 12018 1 539 . 1 1 234 234 TYR N N 15 123.687 0.3 . 1 . . . . . 234 TYR N . 12018 1 540 . 1 1 235 235 ARG H H 1 8.984 0.020 . 1 . . . . . 235 ARG H . 12018 1 541 . 1 1 235 235 ARG CA C 13 56.193 0.3 . 1 . . . . . 235 ARG CA . 12018 1 542 . 1 1 235 235 ARG CB C 13 31.434 0.3 . 1 . . . . . 235 ARG CB . 12018 1 543 . 1 1 235 235 ARG N N 15 122.291 0.3 . 1 . . . . . 235 ARG N . 12018 1 544 . 1 1 236 236 LEU H H 1 7.417 0.020 . 1 . . . . . 236 LEU H . 12018 1 545 . 1 1 236 236 LEU CA C 13 54.121 0.3 . 1 . . . . . 236 LEU CA . 12018 1 546 . 1 1 236 236 LEU CB C 13 42.947 0.3 . 1 . . . . . 236 LEU CB . 12018 1 547 . 1 1 236 236 LEU N N 15 125.140 0.3 . 1 . . . . . 236 LEU N . 12018 1 548 . 1 1 237 237 VAL H H 1 8.267 0.020 . 1 . . . . . 237 VAL H . 12018 1 549 . 1 1 237 237 VAL CA C 13 58.920 0.3 . 1 . . . . . 237 VAL CA . 12018 1 550 . 1 1 237 237 VAL CB C 13 35.703 0.3 . 1 . . . . . 237 VAL CB . 12018 1 551 . 1 1 237 237 VAL N N 15 114.381 0.3 . 1 . . . . . 237 VAL N . 12018 1 552 . 1 1 238 238 LYS H H 1 8.459 0.020 . 1 . . . . . 238 LYS H . 12018 1 553 . 1 1 238 238 LYS CA C 13 56.468 0.3 . 1 . . . . . 238 LYS CA . 12018 1 554 . 1 1 238 238 LYS CB C 13 33.932 0.3 . 1 . . . . . 238 LYS CB . 12018 1 555 . 1 1 238 238 LYS N N 15 121.377 0.3 . 1 . . . . . 238 LYS N . 12018 1 556 . 1 1 239 239 GLU H H 1 8.159 0.020 . 1 . . . . . 239 GLU H . 12018 1 557 . 1 1 239 239 GLU CA C 13 58.099 0.3 . 1 . . . . . 239 GLU CA . 12018 1 558 . 1 1 239 239 GLU CB C 13 30.793 0.3 . 1 . . . . . 239 GLU CB . 12018 1 559 . 1 1 239 239 GLU N N 15 130.273 0.3 . 1 . . . . . 239 GLU N . 12018 1 stop_ save_