data_26832 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26832 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical shift assignments for Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) variant. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-22 _Entry.Accession_date 2016-06-22 _Entry.Last_release_date 2016-06-22 _Entry.Original_release_date 2016-06-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Wolfgang Peti . . . . 26832 2 Rebecca Page . . . . 26832 3 Yang Li . . . . 26832 4 Meng Choy . S. . . 26832 5 Luciana Machado . . . . 26832 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26832 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 26832 '15N chemical shifts' 246 26832 '1H chemical shifts' 246 26832 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 . . 2017-02-20 . original BMRB . 26832 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19224 'PTP1B (residues 1-393)' 26832 PDB 5KA2 . 26832 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26832 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28212750 _Citation.Full_citation . _Citation.Title ; Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell.' _Citation.Journal_name_full . _Citation.Journal_volume 65 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 644 _Citation.Page_last 658 _Citation.Year 2017 _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 Meng Choy . S. . . 26832 1 2 Yang Li . . . . 26832 1 3 Luciana Machado . . . . 26832 1 4 Christopher Connors . R. . . 26832 1 5 Xinyu Wei . . . . 26832 1 6 Rebecca Page . . . . 26832 1 7 Wolfgang Peti . . . . 26832 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26832 _Assembly.ID 1 _Assembly.Name 'Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) variant' _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 'Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) variant' 1 $PTP1B_Y152A_Y153A_mutant A . yes native no no . . . 26832 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5KA2 . . X-ray . . . 26832 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTP1B_Y152A_Y153A_mutant _Entity.Sf_category entity _Entity.Sf_framecode PTP1B_Y152A_Y153A_mutant _Entity.Entry_ID 26832 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTP1B_Y152A_Y153A_mutant _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMASMEMEKEFEQIDKSGS WAAIYQDIRHEASDFPCRVA KLPKNKNRNRYRDVSPFDHS RIKLHQEDNDYINASLIKME EAQRSYILTQGPLPNTCGHF WEMVWEQKSRGVVMLNRVME KGSLKCAQYWPQKEEKEMIF EDTNLKLTLISEDIKSAATV RQLELENLTTQETREILHFH YTTWPDFGVPESPASFLNFL FKVRESGSLSPEHGPVVVHC SAGIGRSGTFCLADTCLLLM DKRKDPSSVDIKKVLLEMRK FRMGLIQTADQLRFSYLAVI EGAKFIMGDSSVQDQWKELS HEDLEPHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GHMAS are cloning artefact; PTP1B sequence starts with MEMEK' _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 308 _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 GLY . 26832 1 2 2 HIS . 26832 1 3 3 MET . 26832 1 4 4 ALA . 26832 1 5 5 SER . 26832 1 6 6 MET . 26832 1 7 7 GLU . 26832 1 8 8 MET . 26832 1 9 9 GLU . 26832 1 10 10 LYS . 26832 1 11 11 GLU . 26832 1 12 12 PHE . 26832 1 13 13 GLU . 26832 1 14 14 GLN . 26832 1 15 15 ILE . 26832 1 16 16 ASP . 26832 1 17 17 LYS . 26832 1 18 18 SER . 26832 1 19 19 GLY . 26832 1 20 20 SER . 26832 1 21 21 TRP . 26832 1 22 22 ALA . 26832 1 23 23 ALA . 26832 1 24 24 ILE . 26832 1 25 25 TYR . 26832 1 26 26 GLN . 26832 1 27 27 ASP . 26832 1 28 28 ILE . 26832 1 29 29 ARG . 26832 1 30 30 HIS . 26832 1 31 31 GLU . 26832 1 32 32 ALA . 26832 1 33 33 SER . 26832 1 34 34 ASP . 26832 1 35 35 PHE . 26832 1 36 36 PRO . 26832 1 37 37 CYS . 26832 1 38 38 ARG . 26832 1 39 39 VAL . 26832 1 40 40 ALA . 26832 1 41 41 LYS . 26832 1 42 42 LEU . 26832 1 43 43 PRO . 26832 1 44 44 LYS . 26832 1 45 45 ASN . 26832 1 46 46 LYS . 26832 1 47 47 ASN . 26832 1 48 48 ARG . 26832 1 49 49 ASN . 26832 1 50 50 ARG . 26832 1 51 51 TYR . 26832 1 52 52 ARG . 26832 1 53 53 ASP . 26832 1 54 54 VAL . 26832 1 55 55 SER . 26832 1 56 56 PRO . 26832 1 57 57 PHE . 26832 1 58 58 ASP . 26832 1 59 59 HIS . 26832 1 60 60 SER . 26832 1 61 61 ARG . 26832 1 62 62 ILE . 26832 1 63 63 LYS . 26832 1 64 64 LEU . 26832 1 65 65 HIS . 26832 1 66 66 GLN . 26832 1 67 67 GLU . 26832 1 68 68 ASP . 26832 1 69 69 ASN . 26832 1 70 70 ASP . 26832 1 71 71 TYR . 26832 1 72 72 ILE . 26832 1 73 73 ASN . 26832 1 74 74 ALA . 26832 1 75 75 SER . 26832 1 76 76 LEU . 26832 1 77 77 ILE . 26832 1 78 78 LYS . 26832 1 79 79 MET . 26832 1 80 80 GLU . 26832 1 81 81 GLU . 26832 1 82 82 ALA . 26832 1 83 83 GLN . 26832 1 84 84 ARG . 26832 1 85 85 SER . 26832 1 86 86 TYR . 26832 1 87 87 ILE . 26832 1 88 88 LEU . 26832 1 89 89 THR . 26832 1 90 90 GLN . 26832 1 91 91 GLY . 26832 1 92 92 PRO . 26832 1 93 93 LEU . 26832 1 94 94 PRO . 26832 1 95 95 ASN . 26832 1 96 96 THR . 26832 1 97 97 CYS . 26832 1 98 98 GLY . 26832 1 99 99 HIS . 26832 1 100 100 PHE . 26832 1 101 101 TRP . 26832 1 102 102 GLU . 26832 1 103 103 MET . 26832 1 104 104 VAL . 26832 1 105 105 TRP . 26832 1 106 106 GLU . 26832 1 107 107 GLN . 26832 1 108 108 LYS . 26832 1 109 109 SER . 26832 1 110 110 ARG . 26832 1 111 111 GLY . 26832 1 112 112 VAL . 26832 1 113 113 VAL . 26832 1 114 114 MET . 26832 1 115 115 LEU . 26832 1 116 116 ASN . 26832 1 117 117 ARG . 26832 1 118 118 VAL . 26832 1 119 119 MET . 26832 1 120 120 GLU . 26832 1 121 121 LYS . 26832 1 122 122 GLY . 26832 1 123 123 SER . 26832 1 124 124 LEU . 26832 1 125 125 LYS . 26832 1 126 126 CYS . 26832 1 127 127 ALA . 26832 1 128 128 GLN . 26832 1 129 129 TYR . 26832 1 130 130 TRP . 26832 1 131 131 PRO . 26832 1 132 132 GLN . 26832 1 133 133 LYS . 26832 1 134 134 GLU . 26832 1 135 135 GLU . 26832 1 136 136 LYS . 26832 1 137 137 GLU . 26832 1 138 138 MET . 26832 1 139 139 ILE . 26832 1 140 140 PHE . 26832 1 141 141 GLU . 26832 1 142 142 ASP . 26832 1 143 143 THR . 26832 1 144 144 ASN . 26832 1 145 145 LEU . 26832 1 146 146 LYS . 26832 1 147 147 LEU . 26832 1 148 148 THR . 26832 1 149 149 LEU . 26832 1 150 150 ILE . 26832 1 151 151 SER . 26832 1 152 152 GLU . 26832 1 153 153 ASP . 26832 1 154 154 ILE . 26832 1 155 155 LYS . 26832 1 156 156 SER . 26832 1 157 157 ALA . 26832 1 158 158 ALA . 26832 1 159 159 THR . 26832 1 160 160 VAL . 26832 1 161 161 ARG . 26832 1 162 162 GLN . 26832 1 163 163 LEU . 26832 1 164 164 GLU . 26832 1 165 165 LEU . 26832 1 166 166 GLU . 26832 1 167 167 ASN . 26832 1 168 168 LEU . 26832 1 169 169 THR . 26832 1 170 170 THR . 26832 1 171 171 GLN . 26832 1 172 172 GLU . 26832 1 173 173 THR . 26832 1 174 174 ARG . 26832 1 175 175 GLU . 26832 1 176 176 ILE . 26832 1 177 177 LEU . 26832 1 178 178 HIS . 26832 1 179 179 PHE . 26832 1 180 180 HIS . 26832 1 181 181 TYR . 26832 1 182 182 THR . 26832 1 183 183 THR . 26832 1 184 184 TRP . 26832 1 185 185 PRO . 26832 1 186 186 ASP . 26832 1 187 187 PHE . 26832 1 188 188 GLY . 26832 1 189 189 VAL . 26832 1 190 190 PRO . 26832 1 191 191 GLU . 26832 1 192 192 SER . 26832 1 193 193 PRO . 26832 1 194 194 ALA . 26832 1 195 195 SER . 26832 1 196 196 PHE . 26832 1 197 197 LEU . 26832 1 198 198 ASN . 26832 1 199 199 PHE . 26832 1 200 200 LEU . 26832 1 201 201 PHE . 26832 1 202 202 LYS . 26832 1 203 203 VAL . 26832 1 204 204 ARG . 26832 1 205 205 GLU . 26832 1 206 206 SER . 26832 1 207 207 GLY . 26832 1 208 208 SER . 26832 1 209 209 LEU . 26832 1 210 210 SER . 26832 1 211 211 PRO . 26832 1 212 212 GLU . 26832 1 213 213 HIS . 26832 1 214 214 GLY . 26832 1 215 215 PRO . 26832 1 216 216 VAL . 26832 1 217 217 VAL . 26832 1 218 218 VAL . 26832 1 219 219 HIS . 26832 1 220 220 CYS . 26832 1 221 221 SER . 26832 1 222 222 ALA . 26832 1 223 223 GLY . 26832 1 224 224 ILE . 26832 1 225 225 GLY . 26832 1 226 226 ARG . 26832 1 227 227 SER . 26832 1 228 228 GLY . 26832 1 229 229 THR . 26832 1 230 230 PHE . 26832 1 231 231 CYS . 26832 1 232 232 LEU . 26832 1 233 233 ALA . 26832 1 234 234 ASP . 26832 1 235 235 THR . 26832 1 236 236 CYS . 26832 1 237 237 LEU . 26832 1 238 238 LEU . 26832 1 239 239 LEU . 26832 1 240 240 MET . 26832 1 241 241 ASP . 26832 1 242 242 LYS . 26832 1 243 243 ARG . 26832 1 244 244 LYS . 26832 1 245 245 ASP . 26832 1 246 246 PRO . 26832 1 247 247 SER . 26832 1 248 248 SER . 26832 1 249 249 VAL . 26832 1 250 250 ASP . 26832 1 251 251 ILE . 26832 1 252 252 LYS . 26832 1 253 253 LYS . 26832 1 254 254 VAL . 26832 1 255 255 LEU . 26832 1 256 256 LEU . 26832 1 257 257 GLU . 26832 1 258 258 MET . 26832 1 259 259 ARG . 26832 1 260 260 LYS . 26832 1 261 261 PHE . 26832 1 262 262 ARG . 26832 1 263 263 MET . 26832 1 264 264 GLY . 26832 1 265 265 LEU . 26832 1 266 266 ILE . 26832 1 267 267 GLN . 26832 1 268 268 THR . 26832 1 269 269 ALA . 26832 1 270 270 ASP . 26832 1 271 271 GLN . 26832 1 272 272 LEU . 26832 1 273 273 ARG . 26832 1 274 274 PHE . 26832 1 275 275 SER . 26832 1 276 276 TYR . 26832 1 277 277 LEU . 26832 1 278 278 ALA . 26832 1 279 279 VAL . 26832 1 280 280 ILE . 26832 1 281 281 GLU . 26832 1 282 282 GLY . 26832 1 283 283 ALA . 26832 1 284 284 LYS . 26832 1 285 285 PHE . 26832 1 286 286 ILE . 26832 1 287 287 MET . 26832 1 288 288 GLY . 26832 1 289 289 ASP . 26832 1 290 290 SER . 26832 1 291 291 SER . 26832 1 292 292 VAL . 26832 1 293 293 GLN . 26832 1 294 294 ASP . 26832 1 295 295 GLN . 26832 1 296 296 TRP . 26832 1 297 297 LYS . 26832 1 298 298 GLU . 26832 1 299 299 LEU . 26832 1 300 300 SER . 26832 1 301 301 HIS . 26832 1 302 302 GLU . 26832 1 303 303 ASP . 26832 1 304 304 LEU . 26832 1 305 305 GLU . 26832 1 306 306 PRO . 26832 1 307 307 HIS . 26832 1 308 308 ASN . 26832 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26832 1 . HIS 2 2 26832 1 . MET 3 3 26832 1 . ALA 4 4 26832 1 . SER 5 5 26832 1 . MET 6 6 26832 1 . GLU 7 7 26832 1 . MET 8 8 26832 1 . GLU 9 9 26832 1 . LYS 10 10 26832 1 . GLU 11 11 26832 1 . PHE 12 12 26832 1 . GLU 13 13 26832 1 . GLN 14 14 26832 1 . ILE 15 15 26832 1 . ASP 16 16 26832 1 . LYS 17 17 26832 1 . SER 18 18 26832 1 . GLY 19 19 26832 1 . SER 20 20 26832 1 . TRP 21 21 26832 1 . ALA 22 22 26832 1 . ALA 23 23 26832 1 . ILE 24 24 26832 1 . TYR 25 25 26832 1 . GLN 26 26 26832 1 . ASP 27 27 26832 1 . ILE 28 28 26832 1 . ARG 29 29 26832 1 . HIS 30 30 26832 1 . GLU 31 31 26832 1 . ALA 32 32 26832 1 . SER 33 33 26832 1 . ASP 34 34 26832 1 . PHE 35 35 26832 1 . PRO 36 36 26832 1 . CYS 37 37 26832 1 . ARG 38 38 26832 1 . VAL 39 39 26832 1 . ALA 40 40 26832 1 . LYS 41 41 26832 1 . LEU 42 42 26832 1 . PRO 43 43 26832 1 . LYS 44 44 26832 1 . ASN 45 45 26832 1 . LYS 46 46 26832 1 . ASN 47 47 26832 1 . ARG 48 48 26832 1 . ASN 49 49 26832 1 . ARG 50 50 26832 1 . TYR 51 51 26832 1 . ARG 52 52 26832 1 . ASP 53 53 26832 1 . VAL 54 54 26832 1 . SER 55 55 26832 1 . PRO 56 56 26832 1 . PHE 57 57 26832 1 . ASP 58 58 26832 1 . HIS 59 59 26832 1 . SER 60 60 26832 1 . ARG 61 61 26832 1 . ILE 62 62 26832 1 . LYS 63 63 26832 1 . LEU 64 64 26832 1 . HIS 65 65 26832 1 . GLN 66 66 26832 1 . GLU 67 67 26832 1 . ASP 68 68 26832 1 . ASN 69 69 26832 1 . ASP 70 70 26832 1 . TYR 71 71 26832 1 . ILE 72 72 26832 1 . ASN 73 73 26832 1 . ALA 74 74 26832 1 . SER 75 75 26832 1 . LEU 76 76 26832 1 . ILE 77 77 26832 1 . LYS 78 78 26832 1 . MET 79 79 26832 1 . GLU 80 80 26832 1 . GLU 81 81 26832 1 . ALA 82 82 26832 1 . GLN 83 83 26832 1 . ARG 84 84 26832 1 . SER 85 85 26832 1 . TYR 86 86 26832 1 . ILE 87 87 26832 1 . LEU 88 88 26832 1 . THR 89 89 26832 1 . GLN 90 90 26832 1 . GLY 91 91 26832 1 . PRO 92 92 26832 1 . LEU 93 93 26832 1 . PRO 94 94 26832 1 . ASN 95 95 26832 1 . THR 96 96 26832 1 . CYS 97 97 26832 1 . GLY 98 98 26832 1 . HIS 99 99 26832 1 . PHE 100 100 26832 1 . TRP 101 101 26832 1 . GLU 102 102 26832 1 . MET 103 103 26832 1 . VAL 104 104 26832 1 . TRP 105 105 26832 1 . GLU 106 106 26832 1 . GLN 107 107 26832 1 . LYS 108 108 26832 1 . SER 109 109 26832 1 . ARG 110 110 26832 1 . GLY 111 111 26832 1 . VAL 112 112 26832 1 . VAL 113 113 26832 1 . MET 114 114 26832 1 . LEU 115 115 26832 1 . ASN 116 116 26832 1 . ARG 117 117 26832 1 . VAL 118 118 26832 1 . MET 119 119 26832 1 . GLU 120 120 26832 1 . LYS 121 121 26832 1 . GLY 122 122 26832 1 . SER 123 123 26832 1 . LEU 124 124 26832 1 . LYS 125 125 26832 1 . CYS 126 126 26832 1 . ALA 127 127 26832 1 . GLN 128 128 26832 1 . TYR 129 129 26832 1 . TRP 130 130 26832 1 . PRO 131 131 26832 1 . GLN 132 132 26832 1 . LYS 133 133 26832 1 . GLU 134 134 26832 1 . GLU 135 135 26832 1 . LYS 136 136 26832 1 . GLU 137 137 26832 1 . MET 138 138 26832 1 . ILE 139 139 26832 1 . PHE 140 140 26832 1 . GLU 141 141 26832 1 . ASP 142 142 26832 1 . THR 143 143 26832 1 . ASN 144 144 26832 1 . LEU 145 145 26832 1 . LYS 146 146 26832 1 . LEU 147 147 26832 1 . THR 148 148 26832 1 . LEU 149 149 26832 1 . ILE 150 150 26832 1 . SER 151 151 26832 1 . GLU 152 152 26832 1 . ASP 153 153 26832 1 . ILE 154 154 26832 1 . LYS 155 155 26832 1 . SER 156 156 26832 1 . ALA 157 157 26832 1 . ALA 158 158 26832 1 . THR 159 159 26832 1 . VAL 160 160 26832 1 . ARG 161 161 26832 1 . GLN 162 162 26832 1 . LEU 163 163 26832 1 . GLU 164 164 26832 1 . LEU 165 165 26832 1 . GLU 166 166 26832 1 . ASN 167 167 26832 1 . LEU 168 168 26832 1 . THR 169 169 26832 1 . THR 170 170 26832 1 . GLN 171 171 26832 1 . GLU 172 172 26832 1 . THR 173 173 26832 1 . ARG 174 174 26832 1 . GLU 175 175 26832 1 . ILE 176 176 26832 1 . LEU 177 177 26832 1 . HIS 178 178 26832 1 . PHE 179 179 26832 1 . HIS 180 180 26832 1 . TYR 181 181 26832 1 . THR 182 182 26832 1 . THR 183 183 26832 1 . TRP 184 184 26832 1 . PRO 185 185 26832 1 . ASP 186 186 26832 1 . PHE 187 187 26832 1 . GLY 188 188 26832 1 . VAL 189 189 26832 1 . PRO 190 190 26832 1 . GLU 191 191 26832 1 . SER 192 192 26832 1 . PRO 193 193 26832 1 . ALA 194 194 26832 1 . SER 195 195 26832 1 . PHE 196 196 26832 1 . LEU 197 197 26832 1 . ASN 198 198 26832 1 . PHE 199 199 26832 1 . LEU 200 200 26832 1 . PHE 201 201 26832 1 . LYS 202 202 26832 1 . VAL 203 203 26832 1 . ARG 204 204 26832 1 . GLU 205 205 26832 1 . SER 206 206 26832 1 . GLY 207 207 26832 1 . SER 208 208 26832 1 . LEU 209 209 26832 1 . SER 210 210 26832 1 . PRO 211 211 26832 1 . GLU 212 212 26832 1 . HIS 213 213 26832 1 . GLY 214 214 26832 1 . PRO 215 215 26832 1 . VAL 216 216 26832 1 . VAL 217 217 26832 1 . VAL 218 218 26832 1 . HIS 219 219 26832 1 . CYS 220 220 26832 1 . SER 221 221 26832 1 . ALA 222 222 26832 1 . GLY 223 223 26832 1 . ILE 224 224 26832 1 . GLY 225 225 26832 1 . ARG 226 226 26832 1 . SER 227 227 26832 1 . GLY 228 228 26832 1 . THR 229 229 26832 1 . PHE 230 230 26832 1 . CYS 231 231 26832 1 . LEU 232 232 26832 1 . ALA 233 233 26832 1 . ASP 234 234 26832 1 . THR 235 235 26832 1 . CYS 236 236 26832 1 . LEU 237 237 26832 1 . LEU 238 238 26832 1 . LEU 239 239 26832 1 . MET 240 240 26832 1 . ASP 241 241 26832 1 . LYS 242 242 26832 1 . ARG 243 243 26832 1 . LYS 244 244 26832 1 . ASP 245 245 26832 1 . PRO 246 246 26832 1 . SER 247 247 26832 1 . SER 248 248 26832 1 . VAL 249 249 26832 1 . ASP 250 250 26832 1 . ILE 251 251 26832 1 . LYS 252 252 26832 1 . LYS 253 253 26832 1 . VAL 254 254 26832 1 . LEU 255 255 26832 1 . LEU 256 256 26832 1 . GLU 257 257 26832 1 . MET 258 258 26832 1 . ARG 259 259 26832 1 . LYS 260 260 26832 1 . PHE 261 261 26832 1 . ARG 262 262 26832 1 . MET 263 263 26832 1 . GLY 264 264 26832 1 . LEU 265 265 26832 1 . ILE 266 266 26832 1 . GLN 267 267 26832 1 . THR 268 268 26832 1 . ALA 269 269 26832 1 . ASP 270 270 26832 1 . GLN 271 271 26832 1 . LEU 272 272 26832 1 . ARG 273 273 26832 1 . PHE 274 274 26832 1 . SER 275 275 26832 1 . TYR 276 276 26832 1 . LEU 277 277 26832 1 . ALA 278 278 26832 1 . VAL 279 279 26832 1 . ILE 280 280 26832 1 . GLU 281 281 26832 1 . GLY 282 282 26832 1 . ALA 283 283 26832 1 . LYS 284 284 26832 1 . PHE 285 285 26832 1 . ILE 286 286 26832 1 . MET 287 287 26832 1 . GLY 288 288 26832 1 . ASP 289 289 26832 1 . SER 290 290 26832 1 . SER 291 291 26832 1 . VAL 292 292 26832 1 . GLN 293 293 26832 1 . ASP 294 294 26832 1 . GLN 295 295 26832 1 . TRP 296 296 26832 1 . LYS 297 297 26832 1 . GLU 298 298 26832 1 . LEU 299 299 26832 1 . SER 300 300 26832 1 . HIS 301 301 26832 1 . GLU 302 302 26832 1 . ASP 303 303 26832 1 . LEU 304 304 26832 1 . GLU 305 305 26832 1 . PRO 306 306 26832 1 . HIS 307 307 26832 1 . ASN 308 308 26832 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 26832 _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 $PTP1B_Y152A_Y153A_mutant . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26832 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 26832 _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 $PTP1B_Y152A_Y153A_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pRP1B . . . 26832 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26832 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'PTP1B Y152A, Y153A mutant' '[U-99% 2H; U-99% 15N]' . . 1 $PTP1B_Y152A_Y153A_mutant . . 0.2 . . mM . . . . 26832 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 26832 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26832 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 26832 1 5 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 26832 1 6 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 26832 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26832 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'PTP1B Y152A, Y153A mutant' '[U-99% 2H; U-99% 15N; U-99% 13C]' . . 1 $PTP1B_Y152A_Y153A_mutant . . 0.2 . . mM . . . . 26832 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 26832 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26832 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 26832 2 5 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 26832 2 6 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 26832 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 26832 _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' 0.2 . M 26832 1 pH 6.8 . pH 26832 1 pressure 1 . atm 26832 1 temperature 298 . K 26832 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26832 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26832 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26832 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26832 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26832 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26832 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 26832 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26832 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26832 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26832 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance IIIHD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 26832 _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 spectrometer_1 Bruker 'Avance IIIHD' . 850 . . . 26832 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 26832 _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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26832 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26832 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26832 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26832 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26832 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 26832 _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 na indirect 0.251449530 . . . . . 26832 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26832 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26832 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26832 _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 . _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-15N TROSY' . . . 26832 1 2 '3D HNCA' . . . 26832 1 3 '3D HN(CO)CA' . . . 26832 1 4 '3D HNCACB' . . . 26832 1 5 '3D CBCA(CO)NH' . . . 26832 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.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 5 5 SER H H 1 7.670 0.003 . 1 . . . . 5 SER H . 26832 1 2 . 1 1 5 5 SER CA C 13 61.811 0.26 . 1 . . . . 5 SER CA . 26832 1 3 . 1 1 5 5 SER CB C 13 63.338 0.26 . 1 . . . . 5 SER CB . 26832 1 4 . 1 1 5 5 SER N N 15 114.293 0.13 . 1 . . . . 5 SER N . 26832 1 5 . 1 1 6 6 MET H H 1 8.574 0.003 . 1 . . . . 6 MET H . 26832 1 6 . 1 1 6 6 MET CA C 13 60.042 0.26 . 1 . . . . 6 MET CA . 26832 1 7 . 1 1 6 6 MET CB C 13 33.936 0.26 . 1 . . . . 6 MET CB . 26832 1 8 . 1 1 6 6 MET N N 15 119.273 0.13 . 1 . . . . 6 MET N . 26832 1 9 . 1 1 7 7 GLU H H 1 7.870 0.003 . 1 . . . . 7 GLU H . 26832 1 10 . 1 1 7 7 GLU CA C 13 60.494 0.26 . 1 . . . . 7 GLU CA . 26832 1 11 . 1 1 7 7 GLU N N 15 119.723 0.13 . 1 . . . . 7 GLU N . 26832 1 12 . 1 1 8 8 MET H H 1 7.636 0.003 . 1 . . . . 8 MET H . 26832 1 13 . 1 1 8 8 MET CA C 13 60.083 0.26 . 1 . . . . 8 MET CA . 26832 1 14 . 1 1 8 8 MET CB C 13 32.203 0.26 . 1 . . . . 8 MET CB . 26832 1 15 . 1 1 8 8 MET N N 15 120.842 0.13 . 1 . . . . 8 MET N . 26832 1 16 . 1 1 10 10 LYS H H 1 8.299 0.003 . 1 . . . . 10 LYS H . 26832 1 17 . 1 1 10 10 LYS CA C 13 59.955 0.26 . 1 . . . . 10 LYS CA . 26832 1 18 . 1 1 10 10 LYS N N 15 119.880 0.13 . 1 . . . . 10 LYS N . 26832 1 19 . 1 1 11 11 GLU H H 1 8.128 0.003 . 1 . . . . 11 GLU H . 26832 1 20 . 1 1 11 11 GLU CA C 13 60.339 0.26 . 1 . . . . 11 GLU CA . 26832 1 21 . 1 1 11 11 GLU CB C 13 30.298 0.26 . 1 . . . . 11 GLU CB . 26832 1 22 . 1 1 11 11 GLU N N 15 121.782 0.13 . 1 . . . . 11 GLU N . 26832 1 23 . 1 1 12 12 PHE H H 1 8.451 0.003 . 1 . . . . 12 PHE H . 26832 1 24 . 1 1 12 12 PHE CA C 13 63.008 0.26 . 1 . . . . 12 PHE CA . 26832 1 25 . 1 1 12 12 PHE CB C 13 40.781 0.26 . 1 . . . . 12 PHE CB . 26832 1 26 . 1 1 12 12 PHE N N 15 119.658 0.13 . 1 . . . . 12 PHE N . 26832 1 27 . 1 1 13 13 GLU H H 1 8.157 0.003 . 1 . . . . 13 GLU H . 26832 1 28 . 1 1 13 13 GLU CA C 13 60.123 0.26 . 1 . . . . 13 GLU CA . 26832 1 29 . 1 1 13 13 GLU CB C 13 30.030 0.26 . 1 . . . . 13 GLU CB . 26832 1 30 . 1 1 13 13 GLU N N 15 117.820 0.13 . 1 . . . . 13 GLU N . 26832 1 31 . 1 1 14 14 GLN H H 1 7.698 0.003 . 1 . . . . 14 GLN H . 26832 1 32 . 1 1 14 14 GLN CA C 13 59.590 0.26 . 1 . . . . 14 GLN CA . 26832 1 33 . 1 1 14 14 GLN CB C 13 28.463 0.26 . 1 . . . . 14 GLN CB . 26832 1 34 . 1 1 14 14 GLN N N 15 119.098 0.13 . 1 . . . . 14 GLN N . 26832 1 35 . 1 1 15 15 ILE H H 1 8.095 0.003 . 1 . . . . 15 ILE H . 26832 1 36 . 1 1 15 15 ILE CA C 13 65.671 0.26 . 1 . . . . 15 ILE CA . 26832 1 37 . 1 1 15 15 ILE CB C 13 38.433 0.26 . 1 . . . . 15 ILE CB . 26832 1 38 . 1 1 15 15 ILE N N 15 123.183 0.13 . 1 . . . . 15 ILE N . 26832 1 39 . 1 1 16 16 ASP H H 1 8.323 0.003 . 1 . . . . 16 ASP H . 26832 1 40 . 1 1 16 16 ASP CA C 13 58.307 0.26 . 1 . . . . 16 ASP CA . 26832 1 41 . 1 1 16 16 ASP CB C 13 42.080 0.26 . 1 . . . . 16 ASP CB . 26832 1 42 . 1 1 16 16 ASP N N 15 119.561 0.13 . 1 . . . . 16 ASP N . 26832 1 43 . 1 1 17 17 LYS H H 1 8.288 0.003 . 1 . . . . 17 LYS H . 26832 1 44 . 1 1 17 17 LYS CA C 13 59.562 0.26 . 1 . . . . 17 LYS CA . 26832 1 45 . 1 1 17 17 LYS CB C 13 32.443 0.26 . 1 . . . . 17 LYS CB . 26832 1 46 . 1 1 17 17 LYS N N 15 118.192 0.13 . 1 . . . . 17 LYS N . 26832 1 47 . 1 1 18 18 SER H H 1 7.473 0.003 . 1 . . . . 18 SER H . 26832 1 48 . 1 1 18 18 SER CA C 13 59.221 0.26 . 1 . . . . 18 SER CA . 26832 1 49 . 1 1 18 18 SER CB C 13 65.109 0.26 . 1 . . . . 18 SER CB . 26832 1 50 . 1 1 18 18 SER N N 15 111.499 0.13 . 1 . . . . 18 SER N . 26832 1 51 . 1 1 19 19 GLY H H 1 7.746 0.003 . 1 . . . . 19 GLY H . 26832 1 52 . 1 1 19 19 GLY CA C 13 47.657 0.26 . 1 . . . . 19 GLY CA . 26832 1 53 . 1 1 19 19 GLY N N 15 113.264 0.13 . 1 . . . . 19 GLY N . 26832 1 54 . 1 1 20 20 SER H H 1 7.715 0.003 . 1 . . . . 20 SER H . 26832 1 55 . 1 1 20 20 SER CA C 13 59.608 0.26 . 1 . . . . 20 SER CA . 26832 1 56 . 1 1 20 20 SER CB C 13 64.201 0.26 . 1 . . . . 20 SER CB . 26832 1 57 . 1 1 20 20 SER N N 15 111.567 0.13 . 1 . . . . 20 SER N . 26832 1 58 . 1 1 21 21 TRP H H 1 7.042 0.003 . 1 . . . . 21 TRP H . 26832 1 59 . 1 1 21 21 TRP HE1 H 1 10.955 0.003 . 1 . . . . 21 TRP HE1 . 26832 1 60 . 1 1 21 21 TRP CA C 13 61.245 0.26 . 1 . . . . 21 TRP CA . 26832 1 61 . 1 1 21 21 TRP CB C 13 29.441 0.26 . 1 . . . . 21 TRP CB . 26832 1 62 . 1 1 21 21 TRP N N 15 121.943 0.13 . 1 . . . . 21 TRP N . 26832 1 63 . 1 1 21 21 TRP NE1 N 15 131.048 0.13 . 1 . . . . 21 TRP NE1 . 26832 1 64 . 1 1 22 22 ALA H H 1 8.595 0.003 . 1 . . . . 22 ALA H . 26832 1 65 . 1 1 22 22 ALA CA C 13 56.281 0.26 . 1 . . . . 22 ALA CA . 26832 1 66 . 1 1 22 22 ALA CB C 13 18.101 0.26 . 1 . . . . 22 ALA CB . 26832 1 67 . 1 1 22 22 ALA N N 15 119.536 0.13 . 1 . . . . 22 ALA N . 26832 1 68 . 1 1 23 23 ALA H H 1 7.563 0.003 . 1 . . . . 23 ALA H . 26832 1 69 . 1 1 23 23 ALA CA C 13 55.761 0.26 . 1 . . . . 23 ALA CA . 26832 1 70 . 1 1 23 23 ALA CB C 13 18.417 0.26 . 1 . . . . 23 ALA CB . 26832 1 71 . 1 1 23 23 ALA N N 15 122.870 0.13 . 1 . . . . 23 ALA N . 26832 1 72 . 1 1 24 24 ILE H H 1 7.845 0.003 . 1 . . . . 24 ILE H . 26832 1 73 . 1 1 24 24 ILE CA C 13 64.095 0.26 . 1 . . . . 24 ILE CA . 26832 1 74 . 1 1 24 24 ILE CB C 13 37.456 0.26 . 1 . . . . 24 ILE CB . 26832 1 75 . 1 1 24 24 ILE N N 15 119.437 0.13 . 1 . . . . 24 ILE N . 26832 1 76 . 1 1 25 25 TYR H H 1 8.453 0.003 . 1 . . . . 25 TYR H . 26832 1 77 . 1 1 25 25 TYR CA C 13 62.972 0.26 . 1 . . . . 25 TYR CA . 26832 1 78 . 1 1 25 25 TYR CB C 13 39.099 0.26 . 1 . . . . 25 TYR CB . 26832 1 79 . 1 1 25 25 TYR N N 15 120.245 0.13 . 1 . . . . 25 TYR N . 26832 1 80 . 1 1 26 26 GLN H H 1 8.062 0.003 . 1 . . . . 26 GLN H . 26832 1 81 . 1 1 26 26 GLN CA C 13 59.296 0.26 . 1 . . . . 26 GLN CA . 26832 1 82 . 1 1 26 26 GLN CB C 13 28.464 0.26 . 1 . . . . 26 GLN CB . 26832 1 83 . 1 1 26 26 GLN N N 15 118.221 0.13 . 1 . . . . 26 GLN N . 26832 1 84 . 1 1 27 27 ASP H H 1 7.696 0.003 . 1 . . . . 27 ASP H . 26832 1 85 . 1 1 27 27 ASP CA C 13 58.398 0.26 . 1 . . . . 27 ASP CA . 26832 1 86 . 1 1 27 27 ASP CB C 13 40.507 0.26 . 1 . . . . 27 ASP CB . 26832 1 87 . 1 1 27 27 ASP N N 15 120.760 0.13 . 1 . . . . 27 ASP N . 26832 1 88 . 1 1 28 28 ILE H H 1 7.543 0.003 . 1 . . . . 28 ILE H . 26832 1 89 . 1 1 28 28 ILE CA C 13 65.621 0.26 . 1 . . . . 28 ILE CA . 26832 1 90 . 1 1 28 28 ILE CB C 13 37.622 0.26 . 1 . . . . 28 ILE CB . 26832 1 91 . 1 1 28 28 ILE N N 15 120.526 0.13 . 1 . . . . 28 ILE N . 26832 1 92 . 1 1 29 29 ARG H H 1 7.593 0.003 . 1 . . . . 29 ARG H . 26832 1 93 . 1 1 29 29 ARG CA C 13 60.589 0.26 . 1 . . . . 29 ARG CA . 26832 1 94 . 1 1 29 29 ARG CB C 13 30.282 0.26 . 1 . . . . 29 ARG CB . 26832 1 95 . 1 1 29 29 ARG N N 15 117.838 0.13 . 1 . . . . 29 ARG N . 26832 1 96 . 1 1 30 30 HIS H H 1 8.031 0.003 . 1 . . . . 30 HIS H . 26832 1 97 . 1 1 30 30 HIS CA C 13 58.795 0.26 . 1 . . . . 30 HIS CA . 26832 1 98 . 1 1 30 30 HIS CB C 13 30.314 0.26 . 1 . . . . 30 HIS CB . 26832 1 99 . 1 1 30 30 HIS N N 15 116.809 0.13 . 1 . . . . 30 HIS N . 26832 1 100 . 1 1 31 31 GLU H H 1 7.675 0.003 . 1 . . . . 31 GLU H . 26832 1 101 . 1 1 31 31 GLU CA C 13 57.049 0.26 . 1 . . . . 31 GLU CA . 26832 1 102 . 1 1 31 31 GLU CB C 13 31.238 0.26 . 1 . . . . 31 GLU CB . 26832 1 103 . 1 1 31 31 GLU N N 15 117.910 0.13 . 1 . . . . 31 GLU N . 26832 1 104 . 1 1 32 32 ALA H H 1 7.301 0.003 . 1 . . . . 32 ALA H . 26832 1 105 . 1 1 32 32 ALA CA C 13 53.567 0.26 . 1 . . . . 32 ALA CA . 26832 1 106 . 1 1 32 32 ALA CB C 13 19.696 0.26 . 1 . . . . 32 ALA CB . 26832 1 107 . 1 1 32 32 ALA N N 15 123.503 0.13 . 1 . . . . 32 ALA N . 26832 1 108 . 1 1 33 33 SER H H 1 7.869 0.003 . 1 . . . . 33 SER H . 26832 1 109 . 1 1 33 33 SER CA C 13 60.130 0.26 . 1 . . . . 33 SER CA . 26832 1 110 . 1 1 33 33 SER CB C 13 65.515 0.26 . 1 . . . . 33 SER CB . 26832 1 111 . 1 1 33 33 SER N N 15 117.345 0.13 . 1 . . . . 33 SER N . 26832 1 112 . 1 1 34 34 ASP H H 1 7.973 0.003 . 1 . . . . 34 ASP H . 26832 1 113 . 1 1 34 34 ASP CA C 13 54.286 0.26 . 1 . . . . 34 ASP CA . 26832 1 114 . 1 1 34 34 ASP CB C 13 44.076 0.26 . 1 . . . . 34 ASP CB . 26832 1 115 . 1 1 34 34 ASP N N 15 122.622 0.13 . 1 . . . . 34 ASP N . 26832 1 116 . 1 1 35 35 PHE H H 1 6.669 0.003 . 1 . . . . 35 PHE H . 26832 1 117 . 1 1 35 35 PHE CA C 13 55.997 0.26 . 1 . . . . 35 PHE CA . 26832 1 118 . 1 1 35 35 PHE CB C 13 41.376 0.26 . 1 . . . . 35 PHE CB . 26832 1 119 . 1 1 35 35 PHE N N 15 119.639 0.13 . 1 . . . . 35 PHE N . 26832 1 120 . 1 1 36 36 PRO CA C 13 65.189 0.26 . 1 . . . . 36 PRO CA . 26832 1 121 . 1 1 36 36 PRO CB C 13 33.303 0.26 . 1 . . . . 36 PRO CB . 26832 1 122 . 1 1 37 37 CYS H H 1 9.045 0.003 . 1 . . . . 37 CYS H . 26832 1 123 . 1 1 37 37 CYS CA C 13 57.108 0.26 . 1 . . . . 37 CYS CA . 26832 1 124 . 1 1 37 37 CYS CB C 13 29.056 0.26 . 1 . . . . 37 CYS CB . 26832 1 125 . 1 1 37 37 CYS N N 15 126.417 0.13 . 1 . . . . 37 CYS N . 26832 1 126 . 1 1 38 38 ARG H H 1 9.405 0.003 . 1 . . . . 38 ARG H . 26832 1 127 . 1 1 38 38 ARG CA C 13 60.583 0.26 . 1 . . . . 38 ARG CA . 26832 1 128 . 1 1 38 38 ARG CB C 13 30.924 0.26 . 1 . . . . 38 ARG CB . 26832 1 129 . 1 1 38 38 ARG N N 15 121.959 0.13 . 1 . . . . 38 ARG N . 26832 1 130 . 1 1 39 39 VAL H H 1 9.426 0.003 . 1 . . . . 39 VAL H . 26832 1 131 . 1 1 39 39 VAL CA C 13 67.624 0.26 . 1 . . . . 39 VAL CA . 26832 1 132 . 1 1 39 39 VAL CB C 13 31.039 0.26 . 1 . . . . 39 VAL CB . 26832 1 133 . 1 1 39 39 VAL N N 15 121.632 0.13 . 1 . . . . 39 VAL N . 26832 1 134 . 1 1 40 40 ALA H H 1 8.425 0.003 . 1 . . . . 40 ALA H . 26832 1 135 . 1 1 40 40 ALA CA C 13 55.385 0.26 . 1 . . . . 40 ALA CA . 26832 1 136 . 1 1 40 40 ALA CB C 13 21.461 0.26 . 1 . . . . 40 ALA CB . 26832 1 137 . 1 1 40 40 ALA N N 15 121.766 0.13 . 1 . . . . 40 ALA N . 26832 1 138 . 1 1 41 41 LYS H H 1 6.692 0.003 . 1 . . . . 41 LYS H . 26832 1 139 . 1 1 41 41 LYS CA C 13 56.051 0.26 . 1 . . . . 41 LYS CA . 26832 1 140 . 1 1 41 41 LYS CB C 13 33.178 0.26 . 1 . . . . 41 LYS CB . 26832 1 141 . 1 1 41 41 LYS N N 15 111.313 0.13 . 1 . . . . 41 LYS N . 26832 1 142 . 1 1 42 42 LEU H H 1 7.377 0.003 . 1 . . . . 42 LEU H . 26832 1 143 . 1 1 42 42 LEU CA C 13 54.829 0.26 . 1 . . . . 42 LEU CA . 26832 1 144 . 1 1 42 42 LEU CB C 13 41.425 0.26 . 1 . . . . 42 LEU CB . 26832 1 145 . 1 1 42 42 LEU N N 15 123.629 0.13 . 1 . . . . 42 LEU N . 26832 1 146 . 1 1 43 43 PRO CA C 13 67.141 0.26 . 1 . . . . 43 PRO CA . 26832 1 147 . 1 1 44 44 LYS H H 1 8.017 0.003 . 1 . . . . 44 LYS H . 26832 1 148 . 1 1 44 44 LYS CA C 13 58.719 0.26 . 1 . . . . 44 LYS CA . 26832 1 149 . 1 1 44 44 LYS CB C 13 31.678 0.26 . 1 . . . . 44 LYS CB . 26832 1 150 . 1 1 44 44 LYS N N 15 114.266 0.13 . 1 . . . . 44 LYS N . 26832 1 151 . 1 1 45 45 ASN H H 1 7.637 0.003 . 1 . . . . 45 ASN H . 26832 1 152 . 1 1 45 45 ASN CA C 13 53.736 0.26 . 1 . . . . 45 ASN CA . 26832 1 153 . 1 1 45 45 ASN CB C 13 39.985 0.26 . 1 . . . . 45 ASN CB . 26832 1 154 . 1 1 45 45 ASN N N 15 117.014 0.13 . 1 . . . . 45 ASN N . 26832 1 155 . 1 1 46 46 LYS H H 1 7.301 0.003 . 1 . . . . 46 LYS H . 26832 1 156 . 1 1 46 46 LYS CA C 13 61.498 0.26 . 1 . . . . 46 LYS CA . 26832 1 157 . 1 1 46 46 LYS CB C 13 32.779 0.26 . 1 . . . . 46 LYS CB . 26832 1 158 . 1 1 46 46 LYS N N 15 123.648 0.13 . 1 . . . . 46 LYS N . 26832 1 159 . 1 1 47 47 ASN H H 1 8.287 0.003 . 1 . . . . 47 ASN H . 26832 1 160 . 1 1 47 47 ASN CA C 13 53.747 0.26 . 1 . . . . 47 ASN CA . 26832 1 161 . 1 1 47 47 ASN CB C 13 37.596 0.26 . 1 . . . . 47 ASN CB . 26832 1 162 . 1 1 47 47 ASN N N 15 113.857 0.13 . 1 . . . . 47 ASN N . 26832 1 163 . 1 1 48 48 ARG H H 1 7.779 0.003 . 1 . . . . 48 ARG H . 26832 1 164 . 1 1 48 48 ARG CA C 13 56.883 0.26 . 1 . . . . 48 ARG CA . 26832 1 165 . 1 1 48 48 ARG CB C 13 31.755 0.26 . 1 . . . . 48 ARG CB . 26832 1 166 . 1 1 48 48 ARG N N 15 115.250 0.13 . 1 . . . . 48 ARG N . 26832 1 167 . 1 1 49 49 ASN H H 1 7.383 0.003 . 1 . . . . 49 ASN H . 26832 1 168 . 1 1 49 49 ASN CA C 13 53.251 0.26 . 1 . . . . 49 ASN CA . 26832 1 169 . 1 1 49 49 ASN CB C 13 41.973 0.26 . 1 . . . . 49 ASN CB . 26832 1 170 . 1 1 49 49 ASN N N 15 119.995 0.13 . 1 . . . . 49 ASN N . 26832 1 171 . 1 1 50 50 ARG H H 1 9.103 0.003 . 1 . . . . 50 ARG H . 26832 1 172 . 1 1 50 50 ARG CA C 13 59.920 0.26 . 1 . . . . 50 ARG CA . 26832 1 173 . 1 1 50 50 ARG CB C 13 31.269 0.26 . 1 . . . . 50 ARG CB . 26832 1 174 . 1 1 50 50 ARG N N 15 126.244 0.13 . 1 . . . . 50 ARG N . 26832 1 175 . 1 1 51 51 TYR H H 1 9.323 0.003 . 1 . . . . 51 TYR H . 26832 1 176 . 1 1 51 51 TYR CA C 13 56.785 0.26 . 1 . . . . 51 TYR CA . 26832 1 177 . 1 1 51 51 TYR CB C 13 40.672 0.26 . 1 . . . . 51 TYR CB . 26832 1 178 . 1 1 51 51 TYR N N 15 117.472 0.13 . 1 . . . . 51 TYR N . 26832 1 179 . 1 1 52 52 ARG CA C 13 59.122 0.26 . 1 . . . . 52 ARG CA . 26832 1 180 . 1 1 52 52 ARG CB C 13 30.211 0.26 . 1 . . . . 52 ARG CB . 26832 1 181 . 1 1 53 53 ASP H H 1 8.494 0.003 . 1 . . . . 53 ASP H . 26832 1 182 . 1 1 53 53 ASP CA C 13 54.077 0.26 . 1 . . . . 53 ASP CA . 26832 1 183 . 1 1 53 53 ASP CB C 13 40.937 0.26 . 1 . . . . 53 ASP CB . 26832 1 184 . 1 1 53 53 ASP N N 15 113.232 0.13 . 1 . . . . 53 ASP N . 26832 1 185 . 1 1 54 54 VAL H H 1 6.902 0.003 . 1 . . . . 54 VAL H . 26832 1 186 . 1 1 54 54 VAL CA C 13 63.472 0.26 . 1 . . . . 54 VAL CA . 26832 1 187 . 1 1 54 54 VAL CB C 13 32.920 0.26 . 1 . . . . 54 VAL CB . 26832 1 188 . 1 1 54 54 VAL N N 15 119.607 0.13 . 1 . . . . 54 VAL N . 26832 1 189 . 1 1 55 55 SER H H 1 7.836 0.003 . 1 . . . . 55 SER H . 26832 1 190 . 1 1 55 55 SER CA C 13 56.444 0.26 . 1 . . . . 55 SER CA . 26832 1 191 . 1 1 55 55 SER CB C 13 65.590 0.26 . 1 . . . . 55 SER CB . 26832 1 192 . 1 1 55 55 SER N N 15 123.672 0.13 . 1 . . . . 55 SER N . 26832 1 193 . 1 1 56 56 PRO CA C 13 63.325 0.26 . 1 . . . . 56 PRO CA . 26832 1 194 . 1 1 56 56 PRO CB C 13 32.523 0.26 . 1 . . . . 56 PRO CB . 26832 1 195 . 1 1 57 57 PHE H H 1 7.126 0.003 . 1 . . . . 57 PHE H . 26832 1 196 . 1 1 57 57 PHE CA C 13 56.359 0.26 . 1 . . . . 57 PHE CA . 26832 1 197 . 1 1 57 57 PHE CB C 13 39.863 0.26 . 1 . . . . 57 PHE CB . 26832 1 198 . 1 1 57 57 PHE N N 15 124.562 0.13 . 1 . . . . 57 PHE N . 26832 1 199 . 1 1 58 58 ASP H H 1 9.180 0.003 . 1 . . . . 58 ASP H . 26832 1 200 . 1 1 58 58 ASP CA C 13 59.752 0.26 . 1 . . . . 58 ASP CA . 26832 1 201 . 1 1 58 58 ASP CB C 13 41.123 0.26 . 1 . . . . 58 ASP CB . 26832 1 202 . 1 1 58 58 ASP N N 15 124.739 0.13 . 1 . . . . 58 ASP N . 26832 1 203 . 1 1 59 59 HIS H H 1 8.920 0.003 . 1 . . . . 59 HIS H . 26832 1 204 . 1 1 59 59 HIS CA C 13 59.969 0.26 . 1 . . . . 59 HIS CA . 26832 1 205 . 1 1 59 59 HIS CB C 13 30.914 0.26 . 1 . . . . 59 HIS CB . 26832 1 206 . 1 1 59 59 HIS N N 15 115.590 0.13 . 1 . . . . 59 HIS N . 26832 1 207 . 1 1 60 60 SER H H 1 6.256 0.003 . 1 . . . . 60 SER H . 26832 1 208 . 1 1 60 60 SER CA C 13 56.376 0.26 . 1 . . . . 60 SER CA . 26832 1 209 . 1 1 60 60 SER CB C 13 64.638 0.26 . 1 . . . . 60 SER CB . 26832 1 210 . 1 1 60 60 SER N N 15 108.452 0.13 . 1 . . . . 60 SER N . 26832 1 211 . 1 1 61 61 ARG H H 1 7.195 0.003 . 1 . . . . 61 ARG H . 26832 1 212 . 1 1 61 61 ARG CA C 13 56.400 0.26 . 1 . . . . 61 ARG CA . 26832 1 213 . 1 1 61 61 ARG CB C 13 28.988 0.26 . 1 . . . . 61 ARG CB . 26832 1 214 . 1 1 61 61 ARG N N 15 123.224 0.13 . 1 . . . . 61 ARG N . 26832 1 215 . 1 1 62 62 ILE H H 1 7.022 0.003 . 1 . . . . 62 ILE H . 26832 1 216 . 1 1 62 62 ILE CA C 13 58.063 0.26 . 1 . . . . 62 ILE CA . 26832 1 217 . 1 1 62 62 ILE CB C 13 36.501 0.26 . 1 . . . . 62 ILE CB . 26832 1 218 . 1 1 62 62 ILE N N 15 122.238 0.13 . 1 . . . . 62 ILE N . 26832 1 219 . 1 1 63 63 LYS H H 1 8.419 0.003 . 1 . . . . 63 LYS H . 26832 1 220 . 1 1 63 63 LYS CA C 13 55.903 0.26 . 1 . . . . 63 LYS CA . 26832 1 221 . 1 1 63 63 LYS CB C 13 33.256 0.26 . 1 . . . . 63 LYS CB . 26832 1 222 . 1 1 63 63 LYS N N 15 127.730 0.13 . 1 . . . . 63 LYS N . 26832 1 223 . 1 1 64 64 LEU H H 1 9.131 0.003 . 1 . . . . 64 LEU H . 26832 1 224 . 1 1 64 64 LEU CA C 13 54.928 0.26 . 1 . . . . 64 LEU CA . 26832 1 225 . 1 1 64 64 LEU CB C 13 42.648 0.26 . 1 . . . . 64 LEU CB . 26832 1 226 . 1 1 64 64 LEU N N 15 125.543 0.13 . 1 . . . . 64 LEU N . 26832 1 227 . 1 1 65 65 HIS H H 1 9.468 0.003 . 1 . . . . 65 HIS H . 26832 1 228 . 1 1 65 65 HIS CA C 13 54.696 0.26 . 1 . . . . 65 HIS CA . 26832 1 229 . 1 1 65 65 HIS CB C 13 27.673 0.26 . 1 . . . . 65 HIS CB . 26832 1 230 . 1 1 65 65 HIS N N 15 124.128 0.13 . 1 . . . . 65 HIS N . 26832 1 231 . 1 1 66 66 GLN H H 1 7.344 0.003 . 1 . . . . 66 GLN H . 26832 1 232 . 1 1 66 66 GLN CA C 13 55.355 0.26 . 1 . . . . 66 GLN CA . 26832 1 233 . 1 1 66 66 GLN CB C 13 31.923 0.26 . 1 . . . . 66 GLN CB . 26832 1 234 . 1 1 66 66 GLN N N 15 119.845 0.13 . 1 . . . . 66 GLN N . 26832 1 235 . 1 1 67 67 GLU H H 1 8.355 0.003 . 1 . . . . 67 GLU H . 26832 1 236 . 1 1 67 67 GLU CA C 13 58.755 0.26 . 1 . . . . 67 GLU CA . 26832 1 237 . 1 1 67 67 GLU CB C 13 31.221 0.26 . 1 . . . . 67 GLU CB . 26832 1 238 . 1 1 67 67 GLU N N 15 121.293 0.13 . 1 . . . . 67 GLU N . 26832 1 239 . 1 1 68 68 ASP H H 1 8.219 0.003 . 1 . . . . 68 ASP H . 26832 1 240 . 1 1 68 68 ASP CA C 13 57.394 0.26 . 1 . . . . 68 ASP CA . 26832 1 241 . 1 1 68 68 ASP CB C 13 41.669 0.26 . 1 . . . . 68 ASP CB . 26832 1 242 . 1 1 68 68 ASP N N 15 118.720 0.13 . 1 . . . . 68 ASP N . 26832 1 243 . 1 1 69 69 ASN H H 1 7.357 0.003 . 1 . . . . 69 ASN H . 26832 1 244 . 1 1 69 69 ASN CA C 13 54.206 0.26 . 1 . . . . 69 ASN CA . 26832 1 245 . 1 1 69 69 ASN CB C 13 38.605 0.26 . 1 . . . . 69 ASN CB . 26832 1 246 . 1 1 69 69 ASN N N 15 114.290 0.13 . 1 . . . . 69 ASN N . 26832 1 247 . 1 1 70 70 ASP H H 1 8.040 0.003 . 1 . . . . 70 ASP H . 26832 1 248 . 1 1 70 70 ASP CA C 13 53.918 0.26 . 1 . . . . 70 ASP CA . 26832 1 249 . 1 1 70 70 ASP CB C 13 42.246 0.26 . 1 . . . . 70 ASP CB . 26832 1 250 . 1 1 70 70 ASP N N 15 126.253 0.13 . 1 . . . . 70 ASP N . 26832 1 251 . 1 1 71 71 TYR H H 1 7.906 0.003 . 1 . . . . 71 TYR H . 26832 1 252 . 1 1 71 71 TYR CA C 13 61.688 0.26 . 1 . . . . 71 TYR CA . 26832 1 253 . 1 1 71 71 TYR CB C 13 39.650 0.26 . 1 . . . . 71 TYR CB . 26832 1 254 . 1 1 71 71 TYR N N 15 118.792 0.13 . 1 . . . . 71 TYR N . 26832 1 255 . 1 1 72 72 ILE H H 1 7.604 0.003 . 1 . . . . 72 ILE H . 26832 1 256 . 1 1 72 72 ILE CA C 13 59.641 0.26 . 1 . . . . 72 ILE CA . 26832 1 257 . 1 1 72 72 ILE CB C 13 42.567 0.26 . 1 . . . . 72 ILE CB . 26832 1 258 . 1 1 72 72 ILE N N 15 125.375 0.13 . 1 . . . . 72 ILE N . 26832 1 259 . 1 1 73 73 ASN H H 1 8.071 0.003 . 1 . . . . 73 ASN H . 26832 1 260 . 1 1 73 73 ASN CA C 13 53.458 0.26 . 1 . . . . 73 ASN CA . 26832 1 261 . 1 1 73 73 ASN CB C 13 36.458 0.26 . 1 . . . . 73 ASN CB . 26832 1 262 . 1 1 73 73 ASN N N 15 125.597 0.13 . 1 . . . . 73 ASN N . 26832 1 263 . 1 1 74 74 ALA H H 1 7.664 0.003 . 1 . . . . 74 ALA H . 26832 1 264 . 1 1 74 74 ALA CA C 13 52.576 0.26 . 1 . . . . 74 ALA CA . 26832 1 265 . 1 1 74 74 ALA CB C 13 23.536 0.26 . 1 . . . . 74 ALA CB . 26832 1 266 . 1 1 74 74 ALA N N 15 129.243 0.13 . 1 . . . . 74 ALA N . 26832 1 267 . 1 1 75 75 SER H H 1 8.858 0.003 . 1 . . . . 75 SER H . 26832 1 268 . 1 1 75 75 SER CA C 13 58.294 0.26 . 1 . . . . 75 SER CA . 26832 1 269 . 1 1 75 75 SER CB C 13 67.887 0.26 . 1 . . . . 75 SER CB . 26832 1 270 . 1 1 75 75 SER N N 15 116.888 0.13 . 1 . . . . 75 SER N . 26832 1 271 . 1 1 76 76 LEU H H 1 8.817 0.003 . 1 . . . . 76 LEU H . 26832 1 272 . 1 1 76 76 LEU CA C 13 55.031 0.26 . 1 . . . . 76 LEU CA . 26832 1 273 . 1 1 76 76 LEU CB C 13 42.597 0.26 . 1 . . . . 76 LEU CB . 26832 1 274 . 1 1 76 76 LEU N N 15 127.167 0.13 . 1 . . . . 76 LEU N . 26832 1 275 . 1 1 77 77 ILE H H 1 9.381 0.003 . 1 . . . . 77 ILE H . 26832 1 276 . 1 1 77 77 ILE CA C 13 61.151 0.26 . 1 . . . . 77 ILE CA . 26832 1 277 . 1 1 77 77 ILE CB C 13 38.164 0.26 . 1 . . . . 77 ILE CB . 26832 1 278 . 1 1 77 77 ILE N N 15 128.143 0.13 . 1 . . . . 77 ILE N . 26832 1 279 . 1 1 78 78 LYS CA C 13 56.030 0.26 . 1 . . . . 78 LYS CA . 26832 1 280 . 1 1 78 78 LYS CB C 13 34.037 0.26 . 1 . . . . 78 LYS CB . 26832 1 281 . 1 1 79 79 MET H H 1 8.184 0.003 . 1 . . . . 79 MET H . 26832 1 282 . 1 1 79 79 MET CA C 13 52.837 0.26 . 1 . . . . 79 MET CA . 26832 1 283 . 1 1 79 79 MET CB C 13 30.302 0.26 . 1 . . . . 79 MET CB . 26832 1 284 . 1 1 79 79 MET N N 15 124.004 0.13 . 1 . . . . 79 MET N . 26832 1 285 . 1 1 80 80 GLU H H 1 8.338 0.003 . 1 . . . . 80 GLU H . 26832 1 286 . 1 1 80 80 GLU CA C 13 61.010 0.26 . 1 . . . . 80 GLU CA . 26832 1 287 . 1 1 80 80 GLU CB C 13 30.221 0.26 . 1 . . . . 80 GLU CB . 26832 1 288 . 1 1 80 80 GLU N N 15 126.270 0.13 . 1 . . . . 80 GLU N . 26832 1 289 . 1 1 81 81 GLU H H 1 8.820 0.003 . 1 . . . . 81 GLU H . 26832 1 290 . 1 1 81 81 GLU CA C 13 59.997 0.26 . 1 . . . . 81 GLU CA . 26832 1 291 . 1 1 81 81 GLU CB C 13 29.502 0.26 . 1 . . . . 81 GLU CB . 26832 1 292 . 1 1 81 81 GLU N N 15 121.630 0.13 . 1 . . . . 81 GLU N . 26832 1 293 . 1 1 82 82 ALA H H 1 7.303 0.003 . 1 . . . . 82 ALA H . 26832 1 294 . 1 1 82 82 ALA CA C 13 53.090 0.26 . 1 . . . . 82 ALA CA . 26832 1 295 . 1 1 82 82 ALA CB C 13 19.495 0.26 . 1 . . . . 82 ALA CB . 26832 1 296 . 1 1 82 82 ALA N N 15 117.249 0.13 . 1 . . . . 82 ALA N . 26832 1 297 . 1 1 83 83 GLN H H 1 7.616 0.003 . 1 . . . . 83 GLN H . 26832 1 298 . 1 1 83 83 GLN CA C 13 56.962 0.26 . 1 . . . . 83 GLN CA . 26832 1 299 . 1 1 83 83 GLN CB C 13 26.756 0.26 . 1 . . . . 83 GLN CB . 26832 1 300 . 1 1 83 83 GLN N N 15 112.559 0.13 . 1 . . . . 83 GLN N . 26832 1 301 . 1 1 84 84 ARG H H 1 7.115 0.003 . 1 . . . . 84 ARG H . 26832 1 302 . 1 1 84 84 ARG CA C 13 54.709 0.26 . 1 . . . . 84 ARG CA . 26832 1 303 . 1 1 84 84 ARG N N 15 117.822 0.13 . 1 . . . . 84 ARG N . 26832 1 304 . 1 1 85 85 SER H H 1 7.666 0.003 . 1 . . . . 85 SER H . 26832 1 305 . 1 1 85 85 SER CA C 13 57.417 0.26 . 1 . . . . 85 SER CA . 26832 1 306 . 1 1 85 85 SER CB C 13 66.871 0.26 . 1 . . . . 85 SER CB . 26832 1 307 . 1 1 85 85 SER N N 15 118.504 0.13 . 1 . . . . 85 SER N . 26832 1 308 . 1 1 86 86 TYR H H 1 8.488 0.003 . 1 . . . . 86 TYR H . 26832 1 309 . 1 1 86 86 TYR CA C 13 55.865 0.26 . 1 . . . . 86 TYR CA . 26832 1 310 . 1 1 86 86 TYR CB C 13 44.046 0.26 . 1 . . . . 86 TYR CB . 26832 1 311 . 1 1 86 86 TYR N N 15 116.996 0.13 . 1 . . . . 86 TYR N . 26832 1 312 . 1 1 87 87 ILE H H 1 9.345 0.003 . 1 . . . . 87 ILE H . 26832 1 313 . 1 1 87 87 ILE CA C 13 61.213 0.26 . 1 . . . . 87 ILE CA . 26832 1 314 . 1 1 87 87 ILE CB C 13 39.518 0.26 . 1 . . . . 87 ILE CB . 26832 1 315 . 1 1 87 87 ILE N N 15 123.023 0.13 . 1 . . . . 87 ILE N . 26832 1 316 . 1 1 88 88 LEU H H 1 8.495 0.003 . 1 . . . . 88 LEU H . 26832 1 317 . 1 1 88 88 LEU CA C 13 54.404 0.26 . 1 . . . . 88 LEU CA . 26832 1 318 . 1 1 88 88 LEU CB C 13 44.327 0.26 . 1 . . . . 88 LEU CB . 26832 1 319 . 1 1 88 88 LEU N N 15 128.885 0.13 . 1 . . . . 88 LEU N . 26832 1 320 . 1 1 89 89 THR H H 1 8.339 0.003 . 1 . . . . 89 THR H . 26832 1 321 . 1 1 89 89 THR CA C 13 58.547 0.26 . 1 . . . . 89 THR CA . 26832 1 322 . 1 1 89 89 THR CB C 13 72.668 0.26 . 1 . . . . 89 THR CB . 26832 1 323 . 1 1 89 89 THR N N 15 115.919 0.13 . 1 . . . . 89 THR N . 26832 1 324 . 1 1 90 90 GLN H H 1 6.351 0.003 . 1 . . . . 90 GLN H . 26832 1 325 . 1 1 90 90 GLN CA C 13 53.422 0.26 . 1 . . . . 90 GLN CA . 26832 1 326 . 1 1 90 90 GLN CB C 13 28.823 0.26 . 1 . . . . 90 GLN CB . 26832 1 327 . 1 1 90 90 GLN N N 15 116.821 0.13 . 1 . . . . 90 GLN N . 26832 1 328 . 1 1 91 91 GLY H H 1 8.754 0.003 . 1 . . . . 91 GLY H . 26832 1 329 . 1 1 91 91 GLY CA C 13 45.837 0.26 . 1 . . . . 91 GLY CA . 26832 1 330 . 1 1 91 91 GLY N N 15 112.789 0.13 . 1 . . . . 91 GLY N . 26832 1 331 . 1 1 92 92 PRO CA C 13 64.653 0.26 . 1 . . . . 92 PRO CA . 26832 1 332 . 1 1 92 92 PRO CB C 13 31.850 0.26 . 1 . . . . 92 PRO CB . 26832 1 333 . 1 1 93 93 LEU H H 1 7.888 0.003 . 1 . . . . 93 LEU H . 26832 1 334 . 1 1 93 93 LEU CA C 13 54.221 0.26 . 1 . . . . 93 LEU CA . 26832 1 335 . 1 1 93 93 LEU CB C 13 42.622 0.26 . 1 . . . . 93 LEU CB . 26832 1 336 . 1 1 93 93 LEU N N 15 123.896 0.13 . 1 . . . . 93 LEU N . 26832 1 337 . 1 1 94 94 PRO CA C 13 67.179 0.26 . 1 . . . . 94 PRO CA . 26832 1 338 . 1 1 94 94 PRO CB C 13 31.981 0.26 . 1 . . . . 94 PRO CB . 26832 1 339 . 1 1 95 95 ASN H H 1 8.503 0.003 . 1 . . . . 95 ASN H . 26832 1 340 . 1 1 95 95 ASN CA C 13 54.694 0.26 . 1 . . . . 95 ASN CA . 26832 1 341 . 1 1 95 95 ASN CB C 13 37.710 0.26 . 1 . . . . 95 ASN CB . 26832 1 342 . 1 1 95 95 ASN N N 15 107.032 0.13 . 1 . . . . 95 ASN N . 26832 1 343 . 1 1 96 96 THR H H 1 8.006 0.003 . 1 . . . . 96 THR H . 26832 1 344 . 1 1 96 96 THR CA C 13 61.532 0.26 . 1 . . . . 96 THR CA . 26832 1 345 . 1 1 96 96 THR CB C 13 70.330 0.26 . 1 . . . . 96 THR CB . 26832 1 346 . 1 1 96 96 THR N N 15 111.789 0.13 . 1 . . . . 96 THR N . 26832 1 347 . 1 1 97 97 CYS H H 1 7.493 0.003 . 1 . . . . 97 CYS H . 26832 1 348 . 1 1 97 97 CYS CA C 13 64.885 0.26 . 1 . . . . 97 CYS CA . 26832 1 349 . 1 1 97 97 CYS CB C 13 28.881 0.26 . 1 . . . . 97 CYS CB . 26832 1 350 . 1 1 97 97 CYS N N 15 121.524 0.13 . 1 . . . . 97 CYS N . 26832 1 351 . 1 1 98 98 GLY H H 1 8.220 0.003 . 1 . . . . 98 GLY H . 26832 1 352 . 1 1 98 98 GLY CA C 13 48.417 0.26 . 1 . . . . 98 GLY CA . 26832 1 353 . 1 1 98 98 GLY N N 15 108.887 0.13 . 1 . . . . 98 GLY N . 26832 1 354 . 1 1 99 99 HIS H H 1 7.361 0.003 . 1 . . . . 99 HIS H . 26832 1 355 . 1 1 99 99 HIS CA C 13 57.782 0.26 . 1 . . . . 99 HIS CA . 26832 1 356 . 1 1 99 99 HIS CB C 13 33.101 0.26 . 1 . . . . 99 HIS CB . 26832 1 357 . 1 1 99 99 HIS N N 15 123.898 0.13 . 1 . . . . 99 HIS N . 26832 1 358 . 1 1 100 100 PHE H H 1 8.121 0.003 . 1 . . . . 100 PHE H . 26832 1 359 . 1 1 100 100 PHE CA C 13 62.763 0.26 . 1 . . . . 100 PHE CA . 26832 1 360 . 1 1 100 100 PHE CB C 13 38.753 0.26 . 1 . . . . 100 PHE CB . 26832 1 361 . 1 1 100 100 PHE N N 15 119.638 0.13 . 1 . . . . 100 PHE N . 26832 1 362 . 1 1 101 101 TRP HE1 H 1 10.889 0.003 . 1 . . . . 101 TRP HE1 . 26832 1 363 . 1 1 101 101 TRP NE1 N 15 128.961 0.13 . 1 . . . . 101 TRP NE1 . 26832 1 364 . 1 1 105 105 TRP HE1 H 1 10.340 0.003 . 1 . . . . 105 TRP HE1 . 26832 1 365 . 1 1 105 105 TRP NE1 N 15 130.311 0.13 . 1 . . . . 105 TRP NE1 . 26832 1 366 . 1 1 109 109 SER H H 1 7.416 0.003 . 1 . . . . 109 SER H . 26832 1 367 . 1 1 109 109 SER CA C 13 62.045 0.26 . 1 . . . . 109 SER CA . 26832 1 368 . 1 1 109 109 SER CB C 13 63.715 0.26 . 1 . . . . 109 SER CB . 26832 1 369 . 1 1 109 109 SER N N 15 118.210 0.13 . 1 . . . . 109 SER N . 26832 1 370 . 1 1 110 110 ARG H H 1 9.132 0.003 . 1 . . . . 110 ARG H . 26832 1 371 . 1 1 110 110 ARG CA C 13 55.907 0.26 . 1 . . . . 110 ARG CA . 26832 1 372 . 1 1 110 110 ARG CB C 13 32.440 0.26 . 1 . . . . 110 ARG CB . 26832 1 373 . 1 1 110 110 ARG N N 15 123.866 0.13 . 1 . . . . 110 ARG N . 26832 1 374 . 1 1 111 111 GLY H H 1 7.182 0.003 . 1 . . . . 111 GLY H . 26832 1 375 . 1 1 111 111 GLY CA C 13 44.702 0.26 . 1 . . . . 111 GLY CA . 26832 1 376 . 1 1 111 111 GLY N N 15 102.327 0.13 . 1 . . . . 111 GLY N . 26832 1 377 . 1 1 112 112 VAL H H 1 8.751 0.003 . 1 . . . . 112 VAL H . 26832 1 378 . 1 1 112 112 VAL CA C 13 61.939 0.26 . 1 . . . . 112 VAL CA . 26832 1 379 . 1 1 112 112 VAL CB C 13 36.045 0.26 . 1 . . . . 112 VAL CB . 26832 1 380 . 1 1 112 112 VAL N N 15 120.831 0.13 . 1 . . . . 112 VAL N . 26832 1 381 . 1 1 114 114 MET H H 1 7.528 0.003 . 1 . . . . 114 MET H . 26832 1 382 . 1 1 114 114 MET CA C 13 54.559 0.26 . 1 . . . . 114 MET CA . 26832 1 383 . 1 1 114 114 MET CB C 13 34.903 0.26 . 1 . . . . 114 MET CB . 26832 1 384 . 1 1 114 114 MET N N 15 116.521 0.13 . 1 . . . . 114 MET N . 26832 1 385 . 1 1 115 115 LEU H H 1 7.739 0.003 . 1 . . . . 115 LEU H . 26832 1 386 . 1 1 115 115 LEU CA C 13 54.953 0.26 . 1 . . . . 115 LEU CA . 26832 1 387 . 1 1 115 115 LEU CB C 13 43.492 0.26 . 1 . . . . 115 LEU CB . 26832 1 388 . 1 1 115 115 LEU N N 15 124.843 0.13 . 1 . . . . 115 LEU N . 26832 1 389 . 1 1 116 116 ASN H H 1 7.332 0.003 . 1 . . . . 116 ASN H . 26832 1 390 . 1 1 116 116 ASN CA C 13 52.496 0.26 . 1 . . . . 116 ASN CA . 26832 1 391 . 1 1 116 116 ASN CB C 13 42.356 0.26 . 1 . . . . 116 ASN CB . 26832 1 392 . 1 1 116 116 ASN N N 15 114.865 0.13 . 1 . . . . 116 ASN N . 26832 1 393 . 1 1 117 117 ARG H H 1 9.230 0.003 . 1 . . . . 117 ARG H . 26832 1 394 . 1 1 117 117 ARG CA C 13 56.660 0.26 . 1 . . . . 117 ARG CA . 26832 1 395 . 1 1 117 117 ARG CB C 13 32.207 0.26 . 1 . . . . 117 ARG CB . 26832 1 396 . 1 1 117 117 ARG N N 15 120.132 0.13 . 1 . . . . 117 ARG N . 26832 1 397 . 1 1 118 118 VAL H H 1 8.838 0.003 . 1 . . . . 118 VAL H . 26832 1 398 . 1 1 118 118 VAL CA C 13 67.592 0.26 . 1 . . . . 118 VAL CA . 26832 1 399 . 1 1 118 118 VAL CB C 13 32.225 0.26 . 1 . . . . 118 VAL CB . 26832 1 400 . 1 1 118 118 VAL N N 15 121.595 0.13 . 1 . . . . 118 VAL N . 26832 1 401 . 1 1 121 121 LYS CA C 13 57.532 0.26 . 1 . . . . 121 LYS CA . 26832 1 402 . 1 1 122 122 GLY H H 1 8.479 0.003 . 1 . . . . 122 GLY H . 26832 1 403 . 1 1 122 122 GLY CA C 13 46.544 0.26 . 1 . . . . 122 GLY CA . 26832 1 404 . 1 1 122 122 GLY N N 15 105.875 0.13 . 1 . . . . 122 GLY N . 26832 1 405 . 1 1 123 123 SER H H 1 7.817 0.003 . 1 . . . . 123 SER H . 26832 1 406 . 1 1 123 123 SER CA C 13 57.950 0.26 . 1 . . . . 123 SER CA . 26832 1 407 . 1 1 123 123 SER CB C 13 65.740 0.26 . 1 . . . . 123 SER CB . 26832 1 408 . 1 1 123 123 SER N N 15 116.315 0.13 . 1 . . . . 123 SER N . 26832 1 409 . 1 1 124 124 LEU H H 1 8.458 0.003 . 1 . . . . 124 LEU H . 26832 1 410 . 1 1 124 124 LEU CA C 13 56.367 0.26 . 1 . . . . 124 LEU CA . 26832 1 411 . 1 1 124 124 LEU CB C 13 42.116 0.26 . 1 . . . . 124 LEU CB . 26832 1 412 . 1 1 124 124 LEU N N 15 126.305 0.13 . 1 . . . . 124 LEU N . 26832 1 413 . 1 1 126 126 CYS CA C 13 59.355 0.26 . 1 . . . . 126 CYS CA . 26832 1 414 . 1 1 126 126 CYS CB C 13 29.879 0.26 . 1 . . . . 126 CYS CB . 26832 1 415 . 1 1 127 127 ALA H H 1 7.697 0.003 . 1 . . . . 127 ALA H . 26832 1 416 . 1 1 127 127 ALA CA C 13 52.379 0.26 . 1 . . . . 127 ALA CA . 26832 1 417 . 1 1 127 127 ALA CB C 13 19.320 0.26 . 1 . . . . 127 ALA CB . 26832 1 418 . 1 1 127 127 ALA N N 15 124.505 0.13 . 1 . . . . 127 ALA N . 26832 1 419 . 1 1 128 128 GLN H H 1 8.407 0.003 . 1 . . . . 128 GLN H . 26832 1 420 . 1 1 128 128 GLN CA C 13 56.433 0.26 . 1 . . . . 128 GLN CA . 26832 1 421 . 1 1 128 128 GLN CB C 13 26.918 0.26 . 1 . . . . 128 GLN CB . 26832 1 422 . 1 1 128 128 GLN N N 15 121.067 0.13 . 1 . . . . 128 GLN N . 26832 1 423 . 1 1 129 129 TYR H H 1 6.559 0.003 . 1 . . . . 129 TYR H . 26832 1 424 . 1 1 129 129 TYR CA C 13 57.408 0.26 . 1 . . . . 129 TYR CA . 26832 1 425 . 1 1 129 129 TYR CB C 13 38.485 0.26 . 1 . . . . 129 TYR CB . 26832 1 426 . 1 1 129 129 TYR N N 15 122.981 0.13 . 1 . . . . 129 TYR N . 26832 1 427 . 1 1 130 130 TRP H H 1 6.532 0.003 . 1 . . . . 130 TRP H . 26832 1 428 . 1 1 130 130 TRP HE1 H 1 9.402 0.003 . 1 . . . . 130 TRP HE1 . 26832 1 429 . 1 1 130 130 TRP CA C 13 56.175 0.26 . 1 . . . . 130 TRP CA . 26832 1 430 . 1 1 130 130 TRP CB C 13 30.932 0.26 . 1 . . . . 130 TRP CB . 26832 1 431 . 1 1 130 130 TRP N N 15 121.232 0.13 . 1 . . . . 130 TRP N . 26832 1 432 . 1 1 130 130 TRP NE1 N 15 129.512 0.13 . 1 . . . . 130 TRP NE1 . 26832 1 433 . 1 1 137 137 GLU CA C 13 55.205 0.26 . 1 . . . . 137 GLU CA . 26832 1 434 . 1 1 137 137 GLU CB C 13 33.613 0.26 . 1 . . . . 137 GLU CB . 26832 1 435 . 1 1 138 138 MET H H 1 8.790 0.003 . 1 . . . . 138 MET H . 26832 1 436 . 1 1 138 138 MET CA C 13 56.065 0.26 . 1 . . . . 138 MET CA . 26832 1 437 . 1 1 138 138 MET CB C 13 38.963 0.26 . 1 . . . . 138 MET CB . 26832 1 438 . 1 1 138 138 MET N N 15 121.478 0.13 . 1 . . . . 138 MET N . 26832 1 439 . 1 1 139 139 ILE H H 1 8.080 0.003 . 1 . . . . 139 ILE H . 26832 1 440 . 1 1 139 139 ILE CA C 13 60.759 0.26 . 1 . . . . 139 ILE CA . 26832 1 441 . 1 1 139 139 ILE CB C 13 40.459 0.26 . 1 . . . . 139 ILE CB . 26832 1 442 . 1 1 139 139 ILE N N 15 122.277 0.13 . 1 . . . . 139 ILE N . 26832 1 443 . 1 1 140 140 PHE H H 1 8.834 0.003 . 1 . . . . 140 PHE H . 26832 1 444 . 1 1 140 140 PHE CA C 13 57.291 0.26 . 1 . . . . 140 PHE CA . 26832 1 445 . 1 1 140 140 PHE CB C 13 38.317 0.26 . 1 . . . . 140 PHE CB . 26832 1 446 . 1 1 140 140 PHE N N 15 128.062 0.13 . 1 . . . . 140 PHE N . 26832 1 447 . 1 1 141 141 GLU H H 1 8.899 0.003 . 1 . . . . 141 GLU H . 26832 1 448 . 1 1 141 141 GLU CA C 13 59.734 0.26 . 1 . . . . 141 GLU CA . 26832 1 449 . 1 1 141 141 GLU CB C 13 30.253 0.26 . 1 . . . . 141 GLU CB . 26832 1 450 . 1 1 141 141 GLU N N 15 124.352 0.13 . 1 . . . . 141 GLU N . 26832 1 451 . 1 1 142 142 ASP H H 1 9.008 0.003 . 1 . . . . 142 ASP H . 26832 1 452 . 1 1 142 142 ASP CA C 13 56.505 0.26 . 1 . . . . 142 ASP CA . 26832 1 453 . 1 1 142 142 ASP CB C 13 39.134 0.26 . 1 . . . . 142 ASP CB . 26832 1 454 . 1 1 142 142 ASP N N 15 116.611 0.13 . 1 . . . . 142 ASP N . 26832 1 455 . 1 1 143 143 THR H H 1 7.393 0.003 . 1 . . . . 143 THR H . 26832 1 456 . 1 1 143 143 THR CA C 13 61.189 0.26 . 1 . . . . 143 THR CA . 26832 1 457 . 1 1 143 143 THR CB C 13 69.617 0.26 . 1 . . . . 143 THR CB . 26832 1 458 . 1 1 143 143 THR N N 15 108.279 0.13 . 1 . . . . 143 THR N . 26832 1 459 . 1 1 144 144 ASN H H 1 7.885 0.003 . 1 . . . . 144 ASN H . 26832 1 460 . 1 1 144 144 ASN CA C 13 54.528 0.26 . 1 . . . . 144 ASN CA . 26832 1 461 . 1 1 144 144 ASN CB C 13 38.463 0.26 . 1 . . . . 144 ASN CB . 26832 1 462 . 1 1 144 144 ASN N N 15 121.074 0.13 . 1 . . . . 144 ASN N . 26832 1 463 . 1 1 145 145 LEU H H 1 7.355 0.003 . 1 . . . . 145 LEU H . 26832 1 464 . 1 1 145 145 LEU CA C 13 54.326 0.26 . 1 . . . . 145 LEU CA . 26832 1 465 . 1 1 145 145 LEU CB C 13 46.811 0.26 . 1 . . . . 145 LEU CB . 26832 1 466 . 1 1 145 145 LEU N N 15 117.282 0.13 . 1 . . . . 145 LEU N . 26832 1 467 . 1 1 147 147 LEU H H 1 9.077 0.003 . 1 . . . . 147 LEU H . 26832 1 468 . 1 1 147 147 LEU CA C 13 53.356 0.26 . 1 . . . . 147 LEU CA . 26832 1 469 . 1 1 147 147 LEU CB C 13 48.652 0.26 . 1 . . . . 147 LEU CB . 26832 1 470 . 1 1 147 147 LEU N N 15 129.835 0.13 . 1 . . . . 147 LEU N . 26832 1 471 . 1 1 148 148 THR CA C 13 62.378 0.26 . 1 . . . . 148 THR CA . 26832 1 472 . 1 1 148 148 THR CB C 13 72.191 0.26 . 1 . . . . 148 THR CB . 26832 1 473 . 1 1 149 149 LEU H H 1 8.891 0.003 . 1 . . . . 149 LEU H . 26832 1 474 . 1 1 149 149 LEU CA C 13 56.108 0.26 . 1 . . . . 149 LEU CA . 26832 1 475 . 1 1 149 149 LEU CB C 13 43.159 0.26 . 1 . . . . 149 LEU CB . 26832 1 476 . 1 1 149 149 LEU N N 15 128.198 0.13 . 1 . . . . 149 LEU N . 26832 1 477 . 1 1 150 150 ILE H H 1 8.785 0.003 . 1 . . . . 150 ILE H . 26832 1 478 . 1 1 150 150 ILE CA C 13 61.610 0.26 . 1 . . . . 150 ILE CA . 26832 1 479 . 1 1 150 150 ILE N N 15 129.801 0.13 . 1 . . . . 150 ILE N . 26832 1 480 . 1 1 151 151 SER H H 1 7.715 0.003 . 1 . . . . 151 SER H . 26832 1 481 . 1 1 151 151 SER CA C 13 58.539 0.26 . 1 . . . . 151 SER CA . 26832 1 482 . 1 1 151 151 SER CB C 13 66.100 0.26 . 1 . . . . 151 SER CB . 26832 1 483 . 1 1 151 151 SER N N 15 111.179 0.13 . 1 . . . . 151 SER N . 26832 1 484 . 1 1 152 152 GLU H H 1 8.568 0.003 . 1 . . . . 152 GLU H . 26832 1 485 . 1 1 152 152 GLU CA C 13 56.654 0.26 . 1 . . . . 152 GLU CA . 26832 1 486 . 1 1 152 152 GLU CB C 13 34.733 0.26 . 1 . . . . 152 GLU CB . 26832 1 487 . 1 1 152 152 GLU N N 15 120.044 0.13 . 1 . . . . 152 GLU N . 26832 1 488 . 1 1 153 153 ASP H H 1 8.754 0.003 . 1 . . . . 153 ASP H . 26832 1 489 . 1 1 153 153 ASP CA C 13 53.977 0.26 . 1 . . . . 153 ASP CA . 26832 1 490 . 1 1 153 153 ASP CB C 13 42.997 0.26 . 1 . . . . 153 ASP CB . 26832 1 491 . 1 1 153 153 ASP N N 15 126.493 0.13 . 1 . . . . 153 ASP N . 26832 1 492 . 1 1 154 154 ILE H H 1 8.624 0.003 . 1 . . . . 154 ILE H . 26832 1 493 . 1 1 154 154 ILE CA C 13 62.953 0.26 . 1 . . . . 154 ILE CA . 26832 1 494 . 1 1 154 154 ILE CB C 13 39.193 0.26 . 1 . . . . 154 ILE CB . 26832 1 495 . 1 1 154 154 ILE N N 15 127.700 0.13 . 1 . . . . 154 ILE N . 26832 1 496 . 1 1 155 155 LYS H H 1 7.976 0.003 . 1 . . . . 155 LYS H . 26832 1 497 . 1 1 155 155 LYS CA C 13 54.583 0.26 . 1 . . . . 155 LYS CA . 26832 1 498 . 1 1 155 155 LYS CB C 13 34.985 0.26 . 1 . . . . 155 LYS CB . 26832 1 499 . 1 1 155 155 LYS N N 15 128.645 0.13 . 1 . . . . 155 LYS N . 26832 1 500 . 1 1 156 156 SER H H 1 8.357 0.003 . 1 . . . . 156 SER H . 26832 1 501 . 1 1 156 156 SER CA C 13 62.601 0.26 . 1 . . . . 156 SER CA . 26832 1 502 . 1 1 156 156 SER N N 15 116.403 0.13 . 1 . . . . 156 SER N . 26832 1 503 . 1 1 157 157 ALA H H 1 8.119 0.003 . 1 . . . . 157 ALA H . 26832 1 504 . 1 1 157 157 ALA CA C 13 53.009 0.26 . 1 . . . . 157 ALA CA . 26832 1 505 . 1 1 157 157 ALA CB C 13 21.080 0.26 . 1 . . . . 157 ALA CB . 26832 1 506 . 1 1 157 157 ALA N N 15 119.915 0.13 . 1 . . . . 157 ALA N . 26832 1 507 . 1 1 158 158 ALA H H 1 6.839 0.003 . 1 . . . . 158 ALA H . 26832 1 508 . 1 1 158 158 ALA CA C 13 51.575 0.26 . 1 . . . . 158 ALA CA . 26832 1 509 . 1 1 158 158 ALA CB C 13 23.140 0.26 . 1 . . . . 158 ALA CB . 26832 1 510 . 1 1 158 158 ALA N N 15 115.555 0.13 . 1 . . . . 158 ALA N . 26832 1 511 . 1 1 159 159 THR H H 1 9.295 0.003 . 1 . . . . 159 THR H . 26832 1 512 . 1 1 159 159 THR CA C 13 62.475 0.26 . 1 . . . . 159 THR CA . 26832 1 513 . 1 1 159 159 THR CB C 13 73.193 0.26 . 1 . . . . 159 THR CB . 26832 1 514 . 1 1 159 159 THR N N 15 119.796 0.13 . 1 . . . . 159 THR N . 26832 1 515 . 1 1 160 160 VAL H H 1 8.544 0.003 . 1 . . . . 160 VAL H . 26832 1 516 . 1 1 160 160 VAL CA C 13 61.861 0.26 . 1 . . . . 160 VAL CA . 26832 1 517 . 1 1 160 160 VAL CB C 13 34.556 0.26 . 1 . . . . 160 VAL CB . 26832 1 518 . 1 1 160 160 VAL N N 15 127.186 0.13 . 1 . . . . 160 VAL N . 26832 1 519 . 1 1 163 163 LEU CA C 13 57.811 0.26 . 1 . . . . 163 LEU CA . 26832 1 520 . 1 1 163 163 LEU CB C 13 41.230 0.26 . 1 . . . . 163 LEU CB . 26832 1 521 . 1 1 164 164 GLU H H 1 9.256 0.003 . 1 . . . . 164 GLU H . 26832 1 522 . 1 1 164 164 GLU CA C 13 53.163 0.26 . 1 . . . . 164 GLU CA . 26832 1 523 . 1 1 164 164 GLU CB C 13 34.852 0.26 . 1 . . . . 164 GLU CB . 26832 1 524 . 1 1 164 164 GLU N N 15 126.289 0.13 . 1 . . . . 164 GLU N . 26832 1 525 . 1 1 167 167 ASN H H 1 8.137 0.003 . 1 . . . . 167 ASN H . 26832 1 526 . 1 1 167 167 ASN CA C 13 52.557 0.26 . 1 . . . . 167 ASN CA . 26832 1 527 . 1 1 167 167 ASN CB C 13 38.605 0.26 . 1 . . . . 167 ASN CB . 26832 1 528 . 1 1 167 167 ASN N N 15 124.519 0.13 . 1 . . . . 167 ASN N . 26832 1 529 . 1 1 168 168 LEU H H 1 8.204 0.003 . 1 . . . . 168 LEU H . 26832 1 530 . 1 1 168 168 LEU CA C 13 57.614 0.26 . 1 . . . . 168 LEU CA . 26832 1 531 . 1 1 168 168 LEU CB C 13 41.277 0.26 . 1 . . . . 168 LEU CB . 26832 1 532 . 1 1 168 168 LEU N N 15 126.064 0.13 . 1 . . . . 168 LEU N . 26832 1 533 . 1 1 169 169 THR H H 1 8.158 0.003 . 1 . . . . 169 THR H . 26832 1 534 . 1 1 169 169 THR CA C 13 65.988 0.26 . 1 . . . . 169 THR CA . 26832 1 535 . 1 1 169 169 THR CB C 13 69.338 0.26 . 1 . . . . 169 THR CB . 26832 1 536 . 1 1 169 169 THR N N 15 115.159 0.13 . 1 . . . . 169 THR N . 26832 1 537 . 1 1 170 170 THR H H 1 6.967 0.003 . 1 . . . . 170 THR H . 26832 1 538 . 1 1 170 170 THR CA C 13 62.474 0.26 . 1 . . . . 170 THR CA . 26832 1 539 . 1 1 170 170 THR CB C 13 70.880 0.26 . 1 . . . . 170 THR CB . 26832 1 540 . 1 1 170 170 THR N N 15 109.474 0.13 . 1 . . . . 170 THR N . 26832 1 541 . 1 1 171 171 GLN H H 1 8.301 0.003 . 1 . . . . 171 GLN H . 26832 1 542 . 1 1 171 171 GLN CA C 13 58.727 0.26 . 1 . . . . 171 GLN CA . 26832 1 543 . 1 1 171 171 GLN CB C 13 26.564 0.26 . 1 . . . . 171 GLN CB . 26832 1 544 . 1 1 171 171 GLN N N 15 116.769 0.13 . 1 . . . . 171 GLN N . 26832 1 545 . 1 1 172 172 GLU H H 1 7.376 0.003 . 1 . . . . 172 GLU H . 26832 1 546 . 1 1 172 172 GLU CA C 13 56.940 0.26 . 1 . . . . 172 GLU CA . 26832 1 547 . 1 1 172 172 GLU CB C 13 33.794 0.26 . 1 . . . . 172 GLU CB . 26832 1 548 . 1 1 172 172 GLU N N 15 119.711 0.13 . 1 . . . . 172 GLU N . 26832 1 549 . 1 1 173 173 THR H H 1 8.381 0.003 . 1 . . . . 173 THR H . 26832 1 550 . 1 1 173 173 THR CA C 13 60.984 0.26 . 1 . . . . 173 THR CA . 26832 1 551 . 1 1 173 173 THR CB C 13 72.804 0.26 . 1 . . . . 173 THR CB . 26832 1 552 . 1 1 173 173 THR N N 15 113.779 0.13 . 1 . . . . 173 THR N . 26832 1 553 . 1 1 176 176 ILE H H 1 8.496 0.003 . 1 . . . . 176 ILE H . 26832 1 554 . 1 1 176 176 ILE CA C 13 62.270 0.26 . 1 . . . . 176 ILE CA . 26832 1 555 . 1 1 176 176 ILE CB C 13 40.236 0.26 . 1 . . . . 176 ILE CB . 26832 1 556 . 1 1 176 176 ILE N N 15 128.156 0.13 . 1 . . . . 176 ILE N . 26832 1 557 . 1 1 177 177 LEU H H 1 8.634 0.003 . 1 . . . . 177 LEU H . 26832 1 558 . 1 1 177 177 LEU CA C 13 57.839 0.26 . 1 . . . . 177 LEU CA . 26832 1 559 . 1 1 177 177 LEU CB C 13 41.859 0.26 . 1 . . . . 177 LEU CB . 26832 1 560 . 1 1 177 177 LEU N N 15 120.001 0.13 . 1 . . . . 177 LEU N . 26832 1 561 . 1 1 178 178 HIS H H 1 8.048 0.003 . 1 . . . . 178 HIS H . 26832 1 562 . 1 1 178 178 HIS CA C 13 58.398 0.26 . 1 . . . . 178 HIS CA . 26832 1 563 . 1 1 178 178 HIS CB C 13 39.350 0.26 . 1 . . . . 178 HIS CB . 26832 1 564 . 1 1 178 178 HIS N N 15 117.749 0.13 . 1 . . . . 178 HIS N . 26832 1 565 . 1 1 179 179 PHE H H 1 8.665 0.003 . 1 . . . . 179 PHE H . 26832 1 566 . 1 1 179 179 PHE CA C 13 61.528 0.26 . 1 . . . . 179 PHE CA . 26832 1 567 . 1 1 179 179 PHE CB C 13 37.066 0.26 . 1 . . . . 179 PHE CB . 26832 1 568 . 1 1 179 179 PHE N N 15 117.751 0.13 . 1 . . . . 179 PHE N . 26832 1 569 . 1 1 181 181 TYR H H 1 8.766 0.003 . 1 . . . . 181 TYR H . 26832 1 570 . 1 1 181 181 TYR CA C 13 58.987 0.26 . 1 . . . . 181 TYR CA . 26832 1 571 . 1 1 181 181 TYR CB C 13 38.924 0.26 . 1 . . . . 181 TYR CB . 26832 1 572 . 1 1 181 181 TYR N N 15 130.850 0.13 . 1 . . . . 181 TYR N . 26832 1 573 . 1 1 182 182 THR H H 1 7.655 0.003 . 1 . . . . 182 THR H . 26832 1 574 . 1 1 182 182 THR CA C 13 63.578 0.26 . 1 . . . . 182 THR CA . 26832 1 575 . 1 1 182 182 THR CB C 13 69.641 0.26 . 1 . . . . 182 THR CB . 26832 1 576 . 1 1 182 182 THR N N 15 115.868 0.13 . 1 . . . . 182 THR N . 26832 1 577 . 1 1 183 183 THR H H 1 5.879 0.003 . 1 . . . . 183 THR H . 26832 1 578 . 1 1 183 183 THR CA C 13 61.133 0.26 . 1 . . . . 183 THR CA . 26832 1 579 . 1 1 183 183 THR CB C 13 69.767 0.26 . 1 . . . . 183 THR CB . 26832 1 580 . 1 1 183 183 THR N N 15 107.329 0.13 . 1 . . . . 183 THR N . 26832 1 581 . 1 1 184 184 TRP H H 1 8.542 0.003 . 1 . . . . 184 TRP H . 26832 1 582 . 1 1 184 184 TRP HE1 H 1 9.675 0.003 . 1 . . . . 184 TRP HE1 . 26832 1 583 . 1 1 184 184 TRP CA C 13 57.911 0.26 . 1 . . . . 184 TRP CA . 26832 1 584 . 1 1 184 184 TRP CB C 13 28.335 0.26 . 1 . . . . 184 TRP CB . 26832 1 585 . 1 1 184 184 TRP N N 15 129.084 0.13 . 1 . . . . 184 TRP N . 26832 1 586 . 1 1 184 184 TRP NE1 N 15 131.307 0.13 . 1 . . . . 184 TRP NE1 . 26832 1 587 . 1 1 187 187 PHE H H 1 7.516 0.003 . 1 . . . . 187 PHE H . 26832 1 588 . 1 1 187 187 PHE CA C 13 57.339 0.26 . 1 . . . . 187 PHE CA . 26832 1 589 . 1 1 187 187 PHE CB C 13 41.781 0.26 . 1 . . . . 187 PHE CB . 26832 1 590 . 1 1 187 187 PHE N N 15 114.837 0.13 . 1 . . . . 187 PHE N . 26832 1 591 . 1 1 188 188 GLY H H 1 8.304 0.003 . 1 . . . . 188 GLY H . 26832 1 592 . 1 1 188 188 GLY CA C 13 45.845 0.26 . 1 . . . . 188 GLY CA . 26832 1 593 . 1 1 188 188 GLY N N 15 110.392 0.13 . 1 . . . . 188 GLY N . 26832 1 594 . 1 1 189 189 VAL H H 1 7.919 0.003 . 1 . . . . 189 VAL H . 26832 1 595 . 1 1 189 189 VAL CA C 13 58.248 0.26 . 1 . . . . 189 VAL CA . 26832 1 596 . 1 1 189 189 VAL CB C 13 31.363 0.26 . 1 . . . . 189 VAL CB . 26832 1 597 . 1 1 189 189 VAL N N 15 114.049 0.13 . 1 . . . . 189 VAL N . 26832 1 598 . 1 1 190 190 PRO CA C 13 63.197 0.26 . 1 . . . . 190 PRO CA . 26832 1 599 . 1 1 191 191 GLU H H 1 8.284 0.003 . 1 . . . . 191 GLU H . 26832 1 600 . 1 1 191 191 GLU CA C 13 59.426 0.26 . 1 . . . . 191 GLU CA . 26832 1 601 . 1 1 191 191 GLU CB C 13 30.624 0.26 . 1 . . . . 191 GLU CB . 26832 1 602 . 1 1 191 191 GLU N N 15 121.885 0.13 . 1 . . . . 191 GLU N . 26832 1 603 . 1 1 192 192 SER H H 1 7.687 0.003 . 1 . . . . 192 SER H . 26832 1 604 . 1 1 192 192 SER CA C 13 54.033 0.26 . 1 . . . . 192 SER CA . 26832 1 605 . 1 1 192 192 SER CB C 13 65.317 0.26 . 1 . . . . 192 SER CB . 26832 1 606 . 1 1 192 192 SER N N 15 111.095 0.13 . 1 . . . . 192 SER N . 26832 1 607 . 1 1 193 193 PRO CA C 13 56.693 0.26 . 1 . . . . 193 PRO CA . 26832 1 608 . 1 1 193 193 PRO CB C 13 33.238 0.26 . 1 . . . . 193 PRO CB . 26832 1 609 . 1 1 194 194 ALA H H 1 8.451 0.003 . 1 . . . . 194 ALA H . 26832 1 610 . 1 1 194 194 ALA CA C 13 53.931 0.26 . 1 . . . . 194 ALA CA . 26832 1 611 . 1 1 194 194 ALA CB C 13 19.679 0.26 . 1 . . . . 194 ALA CB . 26832 1 612 . 1 1 194 194 ALA N N 15 125.530 0.13 . 1 . . . . 194 ALA N . 26832 1 613 . 1 1 195 195 SER H H 1 8.094 0.003 . 1 . . . . 195 SER H . 26832 1 614 . 1 1 195 195 SER CA C 13 59.455 0.26 . 1 . . . . 195 SER CA . 26832 1 615 . 1 1 195 195 SER CB C 13 64.464 0.26 . 1 . . . . 195 SER CB . 26832 1 616 . 1 1 195 195 SER N N 15 114.096 0.13 . 1 . . . . 195 SER N . 26832 1 617 . 1 1 201 201 PHE CA C 13 55.105 0.26 . 1 . . . . 201 PHE CA . 26832 1 618 . 1 1 202 202 LYS H H 1 7.393 0.003 . 1 . . . . 202 LYS H . 26832 1 619 . 1 1 202 202 LYS CA C 13 58.264 0.26 . 1 . . . . 202 LYS CA . 26832 1 620 . 1 1 202 202 LYS CB C 13 28.744 0.26 . 1 . . . . 202 LYS CB . 26832 1 621 . 1 1 202 202 LYS N N 15 113.051 0.13 . 1 . . . . 202 LYS N . 26832 1 622 . 1 1 203 203 VAL H H 1 7.743 0.003 . 1 . . . . 203 VAL H . 26832 1 623 . 1 1 203 203 VAL CA C 13 66.933 0.26 . 1 . . . . 203 VAL CA . 26832 1 624 . 1 1 203 203 VAL CB C 13 30.385 0.26 . 1 . . . . 203 VAL CB . 26832 1 625 . 1 1 203 203 VAL N N 15 121.407 0.13 . 1 . . . . 203 VAL N . 26832 1 626 . 1 1 204 204 ARG H H 1 8.312 0.003 . 1 . . . . 204 ARG H . 26832 1 627 . 1 1 204 204 ARG CA C 13 60.737 0.26 . 1 . . . . 204 ARG CA . 26832 1 628 . 1 1 204 204 ARG CB C 13 31.207 0.26 . 1 . . . . 204 ARG CB . 26832 1 629 . 1 1 204 204 ARG N N 15 120.611 0.13 . 1 . . . . 204 ARG N . 26832 1 630 . 1 1 205 205 GLU H H 1 8.431 0.003 . 1 . . . . 205 GLU H . 26832 1 631 . 1 1 205 205 GLU CA C 13 59.181 0.26 . 1 . . . . 205 GLU CA . 26832 1 632 . 1 1 205 205 GLU CB C 13 30.237 0.26 . 1 . . . . 205 GLU CB . 26832 1 633 . 1 1 205 205 GLU N N 15 120.873 0.13 . 1 . . . . 205 GLU N . 26832 1 634 . 1 1 206 206 SER H H 1 7.340 0.003 . 1 . . . . 206 SER H . 26832 1 635 . 1 1 206 206 SER CA C 13 61.032 0.26 . 1 . . . . 206 SER CA . 26832 1 636 . 1 1 206 206 SER CB C 13 66.751 0.26 . 1 . . . . 206 SER CB . 26832 1 637 . 1 1 206 206 SER N N 15 112.269 0.13 . 1 . . . . 206 SER N . 26832 1 638 . 1 1 207 207 GLY H H 1 7.594 0.003 . 1 . . . . 207 GLY H . 26832 1 639 . 1 1 207 207 GLY CA C 13 46.807 0.26 . 1 . . . . 207 GLY CA . 26832 1 640 . 1 1 207 207 GLY N N 15 110.349 0.13 . 1 . . . . 207 GLY N . 26832 1 641 . 1 1 208 208 SER H H 1 7.807 0.003 . 1 . . . . 208 SER H . 26832 1 642 . 1 1 208 208 SER CA C 13 63.742 0.26 . 1 . . . . 208 SER CA . 26832 1 643 . 1 1 208 208 SER CB C 13 64.824 0.26 . 1 . . . . 208 SER CB . 26832 1 644 . 1 1 208 208 SER N N 15 114.176 0.13 . 1 . . . . 208 SER N . 26832 1 645 . 1 1 209 209 LEU H H 1 8.186 0.003 . 1 . . . . 209 LEU H . 26832 1 646 . 1 1 209 209 LEU CA C 13 54.904 0.26 . 1 . . . . 209 LEU CA . 26832 1 647 . 1 1 209 209 LEU CB C 13 40.977 0.26 . 1 . . . . 209 LEU CB . 26832 1 648 . 1 1 209 209 LEU N N 15 116.417 0.13 . 1 . . . . 209 LEU N . 26832 1 649 . 1 1 210 210 SER H H 1 7.312 0.003 . 1 . . . . 210 SER H . 26832 1 650 . 1 1 210 210 SER CA C 13 57.648 0.26 . 1 . . . . 210 SER CA . 26832 1 651 . 1 1 210 210 SER N N 15 116.426 0.13 . 1 . . . . 210 SER N . 26832 1 652 . 1 1 211 211 PRO CA C 13 65.357 0.26 . 1 . . . . 211 PRO CA . 26832 1 653 . 1 1 212 212 GLU H H 1 8.057 0.003 . 1 . . . . 212 GLU H . 26832 1 654 . 1 1 212 212 GLU CA C 13 58.138 0.26 . 1 . . . . 212 GLU CA . 26832 1 655 . 1 1 212 212 GLU CB C 13 29.293 0.26 . 1 . . . . 212 GLU CB . 26832 1 656 . 1 1 212 212 GLU N N 15 117.838 0.13 . 1 . . . . 212 GLU N . 26832 1 657 . 1 1 213 213 HIS H H 1 7.398 0.003 . 1 . . . . 213 HIS H . 26832 1 658 . 1 1 213 213 HIS CA C 13 54.907 0.26 . 1 . . . . 213 HIS CA . 26832 1 659 . 1 1 213 213 HIS CB C 13 34.303 0.26 . 1 . . . . 213 HIS CB . 26832 1 660 . 1 1 213 213 HIS N N 15 119.018 0.13 . 1 . . . . 213 HIS N . 26832 1 661 . 1 1 214 214 GLY H H 1 7.203 0.003 . 1 . . . . 214 GLY H . 26832 1 662 . 1 1 214 214 GLY CA C 13 45.112 0.26 . 1 . . . . 214 GLY CA . 26832 1 663 . 1 1 214 214 GLY N N 15 104.726 0.13 . 1 . . . . 214 GLY N . 26832 1 664 . 1 1 216 216 VAL H H 1 8.923 0.003 . 1 . . . . 216 VAL H . 26832 1 665 . 1 1 216 216 VAL CA C 13 62.261 0.26 . 1 . . . . 216 VAL CA . 26832 1 666 . 1 1 216 216 VAL CB C 13 32.186 0.26 . 1 . . . . 216 VAL CB . 26832 1 667 . 1 1 216 216 VAL N N 15 125.834 0.13 . 1 . . . . 216 VAL N . 26832 1 668 . 1 1 217 217 VAL H H 1 7.621 0.003 . 1 . . . . 217 VAL H . 26832 1 669 . 1 1 217 217 VAL CA C 13 62.234 0.26 . 1 . . . . 217 VAL CA . 26832 1 670 . 1 1 217 217 VAL CB C 13 33.106 0.26 . 1 . . . . 217 VAL CB . 26832 1 671 . 1 1 217 217 VAL N N 15 126.617 0.13 . 1 . . . . 217 VAL N . 26832 1 672 . 1 1 218 218 VAL H H 1 9.543 0.003 . 1 . . . . 218 VAL H . 26832 1 673 . 1 1 218 218 VAL CA C 13 60.815 0.26 . 1 . . . . 218 VAL CA . 26832 1 674 . 1 1 218 218 VAL CB C 13 34.290 0.26 . 1 . . . . 218 VAL CB . 26832 1 675 . 1 1 218 218 VAL N N 15 129.233 0.13 . 1 . . . . 218 VAL N . 26832 1 676 . 1 1 219 219 HIS H H 1 9.124 0.003 . 1 . . . . 219 HIS H . 26832 1 677 . 1 1 219 219 HIS CA C 13 56.111 0.26 . 1 . . . . 219 HIS CA . 26832 1 678 . 1 1 219 219 HIS CB C 13 35.450 0.26 . 1 . . . . 219 HIS CB . 26832 1 679 . 1 1 219 219 HIS N N 15 122.055 0.13 . 1 . . . . 219 HIS N . 26832 1 680 . 1 1 220 220 CYS H H 1 5.964 0.003 . 1 . . . . 220 CYS H . 26832 1 681 . 1 1 220 220 CYS CA C 13 57.487 0.26 . 1 . . . . 220 CYS CA . 26832 1 682 . 1 1 220 220 CYS CB C 13 29.398 0.26 . 1 . . . . 220 CYS CB . 26832 1 683 . 1 1 220 220 CYS N N 15 120.470 0.13 . 1 . . . . 220 CYS N . 26832 1 684 . 1 1 222 222 ALA CA C 13 52.525 0.26 . 1 . . . . 222 ALA CA . 26832 1 685 . 1 1 223 223 GLY H H 1 8.715 0.003 . 1 . . . . 223 GLY H . 26832 1 686 . 1 1 223 223 GLY CA C 13 48.463 0.26 . 1 . . . . 223 GLY CA . 26832 1 687 . 1 1 223 223 GLY N N 15 112.114 0.13 . 1 . . . . 223 GLY N . 26832 1 688 . 1 1 224 224 ILE H H 1 7.196 0.003 . 1 . . . . 224 ILE H . 26832 1 689 . 1 1 224 224 ILE CA C 13 62.326 0.26 . 1 . . . . 224 ILE CA . 26832 1 690 . 1 1 224 224 ILE CB C 13 41.377 0.26 . 1 . . . . 224 ILE CB . 26832 1 691 . 1 1 224 224 ILE N N 15 107.946 0.13 . 1 . . . . 224 ILE N . 26832 1 692 . 1 1 225 225 GLY CA C 13 48.616 0.26 . 1 . . . . 225 GLY CA . 26832 1 693 . 1 1 226 226 ARG H H 1 8.477 0.003 . 1 . . . . 226 ARG H . 26832 1 694 . 1 1 226 226 ARG CA C 13 60.838 0.26 . 1 . . . . 226 ARG CA . 26832 1 695 . 1 1 226 226 ARG CB C 13 30.407 0.26 . 1 . . . . 226 ARG CB . 26832 1 696 . 1 1 226 226 ARG N N 15 130.597 0.13 . 1 . . . . 226 ARG N . 26832 1 697 . 1 1 227 227 SER CA C 13 63.931 0.26 . 1 . . . . 227 SER CA . 26832 1 698 . 1 1 228 228 GLY H H 1 6.327 0.003 . 1 . . . . 228 GLY H . 26832 1 699 . 1 1 228 228 GLY CA C 13 47.998 0.26 . 1 . . . . 228 GLY CA . 26832 1 700 . 1 1 228 228 GLY N N 15 106.534 0.13 . 1 . . . . 228 GLY N . 26832 1 701 . 1 1 229 229 THR H H 1 7.662 0.003 . 1 . . . . 229 THR H . 26832 1 702 . 1 1 229 229 THR CA C 13 67.526 0.26 . 1 . . . . 229 THR CA . 26832 1 703 . 1 1 229 229 THR CB C 13 69.435 0.26 . 1 . . . . 229 THR CB . 26832 1 704 . 1 1 229 229 THR N N 15 117.321 0.13 . 1 . . . . 229 THR N . 26832 1 705 . 1 1 230 230 PHE H H 1 7.454 0.003 . 1 . . . . 230 PHE H . 26832 1 706 . 1 1 230 230 PHE CA C 13 63.292 0.26 . 1 . . . . 230 PHE CA . 26832 1 707 . 1 1 230 230 PHE CB C 13 40.717 0.26 . 1 . . . . 230 PHE CB . 26832 1 708 . 1 1 230 230 PHE N N 15 120.489 0.13 . 1 . . . . 230 PHE N . 26832 1 709 . 1 1 231 231 CYS H H 1 7.331 0.003 . 1 . . . . 231 CYS H . 26832 1 710 . 1 1 231 231 CYS CA C 13 63.103 0.26 . 1 . . . . 231 CYS CA . 26832 1 711 . 1 1 231 231 CYS CB C 13 27.345 0.26 . 1 . . . . 231 CYS CB . 26832 1 712 . 1 1 231 231 CYS N N 15 115.584 0.13 . 1 . . . . 231 CYS N . 26832 1 713 . 1 1 232 232 LEU H H 1 8.455 0.003 . 1 . . . . 232 LEU H . 26832 1 714 . 1 1 232 232 LEU CA C 13 59.069 0.26 . 1 . . . . 232 LEU CA . 26832 1 715 . 1 1 232 232 LEU CB C 13 43.391 0.26 . 1 . . . . 232 LEU CB . 26832 1 716 . 1 1 232 232 LEU N N 15 121.771 0.13 . 1 . . . . 232 LEU N . 26832 1 717 . 1 1 233 233 ALA H H 1 8.060 0.003 . 1 . . . . 233 ALA H . 26832 1 718 . 1 1 233 233 ALA CA C 13 55.910 0.26 . 1 . . . . 233 ALA CA . 26832 1 719 . 1 1 233 233 ALA CB C 13 17.132 0.26 . 1 . . . . 233 ALA CB . 26832 1 720 . 1 1 233 233 ALA N N 15 119.902 0.13 . 1 . . . . 233 ALA N . 26832 1 721 . 1 1 234 234 ASP H H 1 7.482 0.003 . 1 . . . . 234 ASP H . 26832 1 722 . 1 1 234 234 ASP CA C 13 59.246 0.26 . 1 . . . . 234 ASP CA . 26832 1 723 . 1 1 234 234 ASP CB C 13 42.175 0.26 . 1 . . . . 234 ASP CB . 26832 1 724 . 1 1 234 234 ASP N N 15 114.203 0.13 . 1 . . . . 234 ASP N . 26832 1 725 . 1 1 235 235 THR H H 1 8.452 0.003 . 1 . . . . 235 THR H . 26832 1 726 . 1 1 235 235 THR CA C 13 69.778 0.26 . 1 . . . . 235 THR CA . 26832 1 727 . 1 1 235 235 THR CB C 13 68.644 0.26 . 1 . . . . 235 THR CB . 26832 1 728 . 1 1 235 235 THR N N 15 114.682 0.13 . 1 . . . . 235 THR N . 26832 1 729 . 1 1 236 236 CYS H H 1 8.287 0.003 . 1 . . . . 236 CYS H . 26832 1 730 . 1 1 236 236 CYS CA C 13 66.713 0.26 . 1 . . . . 236 CYS CA . 26832 1 731 . 1 1 236 236 CYS CB C 13 28.458 0.26 . 1 . . . . 236 CYS CB . 26832 1 732 . 1 1 236 236 CYS N N 15 117.808 0.13 . 1 . . . . 236 CYS N . 26832 1 733 . 1 1 237 237 LEU H H 1 7.8280 0.003 . 1 . . . . 237 LEU H . 26832 1 734 . 1 1 237 237 LEU CA C 13 58.790 0.26 . 1 . . . . 237 LEU CA . 26832 1 735 . 1 1 237 237 LEU CB C 13 41.710 0.26 . 1 . . . . 237 LEU CB . 26832 1 736 . 1 1 237 237 LEU N N 15 117.691 0.13 . 1 . . . . 237 LEU N . 26832 1 737 . 1 1 238 238 LEU H H 1 7.834 0.003 . 1 . . . . 238 LEU H . 26832 1 738 . 1 1 238 238 LEU CA C 13 58.694 0.26 . 1 . . . . 238 LEU CA . 26832 1 739 . 1 1 238 238 LEU CB C 13 41.658 0.26 . 1 . . . . 238 LEU CB . 26832 1 740 . 1 1 238 238 LEU N N 15 118.271 0.13 . 1 . . . . 238 LEU N . 26832 1 741 . 1 1 239 239 LEU H H 1 7.773 0.003 . 1 . . . . 239 LEU H . 26832 1 742 . 1 1 239 239 LEU CA C 13 58.648 0.26 . 1 . . . . 239 LEU CA . 26832 1 743 . 1 1 239 239 LEU CB C 13 42.569 0.26 . 1 . . . . 239 LEU CB . 26832 1 744 . 1 1 239 239 LEU N N 15 122.158 0.13 . 1 . . . . 239 LEU N . 26832 1 745 . 1 1 240 240 MET H H 1 7.825 0.003 . 1 . . . . 240 MET H . 26832 1 746 . 1 1 240 240 MET CA C 13 60.319 0.26 . 1 . . . . 240 MET CA . 26832 1 747 . 1 1 240 240 MET CB C 13 33.432 0.26 . 1 . . . . 240 MET CB . 26832 1 748 . 1 1 240 240 MET N N 15 117.424 0.13 . 1 . . . . 240 MET N . 26832 1 749 . 1 1 241 241 ASP H H 1 7.088 0.003 . 1 . . . . 241 ASP H . 26832 1 750 . 1 1 241 241 ASP CA C 13 56.797 0.26 . 1 . . . . 241 ASP CA . 26832 1 751 . 1 1 241 241 ASP CB C 13 43.264 0.26 . 1 . . . . 241 ASP CB . 26832 1 752 . 1 1 241 241 ASP N N 15 116.935 0.13 . 1 . . . . 241 ASP N . 26832 1 753 . 1 1 242 242 LYS H H 1 7.928 0.003 . 1 . . . . 242 LYS H . 26832 1 754 . 1 1 242 242 LYS CA C 13 59.028 0.26 . 1 . . . . 242 LYS CA . 26832 1 755 . 1 1 242 242 LYS CB C 13 33.846 0.26 . 1 . . . . 242 LYS CB . 26832 1 756 . 1 1 242 242 LYS N N 15 117.885 0.13 . 1 . . . . 242 LYS N . 26832 1 757 . 1 1 243 243 ARG H H 1 7.912 0.003 . 1 . . . . 243 ARG H . 26832 1 758 . 1 1 243 243 ARG CA C 13 57.276 0.26 . 1 . . . . 243 ARG CA . 26832 1 759 . 1 1 243 243 ARG CB C 13 31.478 0.26 . 1 . . . . 243 ARG CB . 26832 1 760 . 1 1 243 243 ARG N N 15 117.292 0.13 . 1 . . . . 243 ARG N . 26832 1 761 . 1 1 244 244 LYS H H 1 7.929 0.003 . 1 . . . . 244 LYS H . 26832 1 762 . 1 1 244 244 LYS CB C 13 31.285 0.26 . 1 . . . . 244 LYS CB . 26832 1 763 . 1 1 244 244 LYS N N 15 118.734 0.13 . 1 . . . . 244 LYS N . 26832 1 764 . 1 1 246 246 PRO CA C 13 65.612 0.26 . 1 . . . . 246 PRO CA . 26832 1 765 . 1 1 246 246 PRO CB C 13 33.101 0.26 . 1 . . . . 246 PRO CB . 26832 1 766 . 1 1 247 247 SER H H 1 8.029 0.003 . 1 . . . . 247 SER H . 26832 1 767 . 1 1 247 247 SER CA C 13 61.053 0.26 . 1 . . . . 247 SER CA . 26832 1 768 . 1 1 247 247 SER CB C 13 64.073 0.26 . 1 . . . . 247 SER CB . 26832 1 769 . 1 1 247 247 SER N N 15 113.115 0.13 . 1 . . . . 247 SER N . 26832 1 770 . 1 1 248 248 SER H H 1 7.594 0.003 . 1 . . . . 248 SER H . 26832 1 771 . 1 1 248 248 SER CA C 13 59.824 0.26 . 1 . . . . 248 SER CA . 26832 1 772 . 1 1 248 248 SER CB C 13 65.195 0.26 . 1 . . . . 248 SER CB . 26832 1 773 . 1 1 248 248 SER N N 15 115.380 0.13 . 1 . . . . 248 SER N . 26832 1 774 . 1 1 249 249 VAL H H 1 7.135 0.003 . 1 . . . . 249 VAL H . 26832 1 775 . 1 1 249 249 VAL CA C 13 64.130 0.26 . 1 . . . . 249 VAL CA . 26832 1 776 . 1 1 249 249 VAL CB C 13 32.285 0.26 . 1 . . . . 249 VAL CB . 26832 1 777 . 1 1 249 249 VAL N N 15 123.751 0.13 . 1 . . . . 249 VAL N . 26832 1 778 . 1 1 250 250 ASP H H 1 8.350 0.003 . 1 . . . . 250 ASP H . 26832 1 779 . 1 1 250 250 ASP CA C 13 52.517 0.26 . 1 . . . . 250 ASP CA . 26832 1 780 . 1 1 250 250 ASP CB C 13 42.583 0.26 . 1 . . . . 250 ASP CB . 26832 1 781 . 1 1 250 250 ASP N N 15 129.554 0.13 . 1 . . . . 250 ASP N . 26832 1 782 . 1 1 251 251 ILE H H 1 8.367 0.003 . 1 . . . . 251 ILE H . 26832 1 783 . 1 1 251 251 ILE CA C 13 66.193 0.26 . 1 . . . . 251 ILE CA . 26832 1 784 . 1 1 251 251 ILE CB C 13 38.560 0.26 . 1 . . . . 251 ILE CB . 26832 1 785 . 1 1 251 251 ILE N N 15 126.528 0.13 . 1 . . . . 251 ILE N . 26832 1 786 . 1 1 252 252 LYS H H 1 7.779 0.003 . 1 . . . . 252 LYS H . 26832 1 787 . 1 1 252 252 LYS CA C 13 61.044 0.26 . 1 . . . . 252 LYS CA . 26832 1 788 . 1 1 252 252 LYS CB C 13 31.305 0.26 . 1 . . . . 252 LYS CB . 26832 1 789 . 1 1 252 252 LYS N N 15 118.301 0.13 . 1 . . . . 252 LYS N . 26832 1 790 . 1 1 253 253 LYS H H 1 7.058 0.003 . 1 . . . . 253 LYS H . 26832 1 791 . 1 1 253 253 LYS CA C 13 59.709 0.26 . 1 . . . . 253 LYS CA . 26832 1 792 . 1 1 253 253 LYS CB C 13 32.941 0.26 . 1 . . . . 253 LYS CB . 26832 1 793 . 1 1 253 253 LYS N N 15 117.643 0.13 . 1 . . . . 253 LYS N . 26832 1 794 . 1 1 254 254 VAL H H 1 7.988 0.003 . 1 . . . . 254 VAL H . 26832 1 795 . 1 1 254 254 VAL CA C 13 67.243 0.26 . 1 . . . . 254 VAL CA . 26832 1 796 . 1 1 254 254 VAL CB C 13 31.918 0.26 . 1 . . . . 254 VAL CB . 26832 1 797 . 1 1 254 254 VAL N N 15 121.967 0.13 . 1 . . . . 254 VAL N . 26832 1 798 . 1 1 255 255 LEU H H 1 8.302 0.003 . 1 . . . . 255 LEU H . 26832 1 799 . 1 1 255 255 LEU CA C 13 58.910 0.26 . 1 . . . . 255 LEU CA . 26832 1 800 . 1 1 255 255 LEU N N 15 121.221 0.13 . 1 . . . . 255 LEU N . 26832 1 801 . 1 1 256 256 LEU H H 1 8.104 0.003 . 1 . . . . 256 LEU H . 26832 1 802 . 1 1 256 256 LEU CA C 13 59.145 0.26 . 1 . . . . 256 LEU CA . 26832 1 803 . 1 1 256 256 LEU CB C 13 41.854 0.26 . 1 . . . . 256 LEU CB . 26832 1 804 . 1 1 256 256 LEU N N 15 119.284 0.13 . 1 . . . . 256 LEU N . 26832 1 805 . 1 1 258 258 MET CA C 13 56.332 0.26 . 1 . . . . 258 MET CA . 26832 1 806 . 1 1 259 259 ARG H H 1 8.477 0.003 . 1 . . . . 259 ARG H . 26832 1 807 . 1 1 259 259 ARG CA C 13 58.833 0.26 . 1 . . . . 259 ARG CA . 26832 1 808 . 1 1 259 259 ARG CB C 13 31.000 0.26 . 1 . . . . 259 ARG CB . 26832 1 809 . 1 1 259 259 ARG N N 15 117.941 0.13 . 1 . . . . 259 ARG N . 26832 1 810 . 1 1 260 260 LYS H H 1 7.553 0.003 . 1 . . . . 260 LYS H . 26832 1 811 . 1 1 260 260 LYS CA C 13 59.550 0.26 . 1 . . . . 260 LYS CA . 26832 1 812 . 1 1 260 260 LYS CB C 13 32.124 0.26 . 1 . . . . 260 LYS CB . 26832 1 813 . 1 1 260 260 LYS N N 15 119.220 0.13 . 1 . . . . 260 LYS N . 26832 1 814 . 1 1 261 261 PHE H H 1 8.091 0.003 . 1 . . . . 261 PHE H . 26832 1 815 . 1 1 261 261 PHE CA C 13 60.202 0.26 . 1 . . . . 261 PHE CA . 26832 1 816 . 1 1 261 261 PHE CB C 13 41.955 0.26 . 1 . . . . 261 PHE CB . 26832 1 817 . 1 1 261 261 PHE N N 15 112.973 0.13 . 1 . . . . 261 PHE N . 26832 1 818 . 1 1 262 262 ARG H H 1 7.392 0.003 . 1 . . . . 262 ARG H . 26832 1 819 . 1 1 262 262 ARG CA C 13 57.334 0.26 . 1 . . . . 262 ARG CA . 26832 1 820 . 1 1 262 262 ARG CB C 13 32.887 0.26 . 1 . . . . 262 ARG CB . 26832 1 821 . 1 1 262 262 ARG N N 15 120.799 0.13 . 1 . . . . 262 ARG N . 26832 1 822 . 1 1 263 263 MET H H 1 8.304 0.003 . 1 . . . . 263 MET H . 26832 1 823 . 1 1 263 263 MET CA C 13 56.083 0.26 . 1 . . . . 263 MET CA . 26832 1 824 . 1 1 263 263 MET CB C 13 32.878 0.26 . 1 . . . . 263 MET CB . 26832 1 825 . 1 1 263 263 MET N N 15 122.501 0.13 . 1 . . . . 263 MET N . 26832 1 826 . 1 1 264 264 GLY H H 1 8.723 0.003 . 1 . . . . 264 GLY H . 26832 1 827 . 1 1 264 264 GLY CA C 13 47.289 0.26 . 1 . . . . 264 GLY CA . 26832 1 828 . 1 1 264 264 GLY N N 15 102.006 0.13 . 1 . . . . 264 GLY N . 26832 1 829 . 1 1 265 265 LEU H H 1 6.303 0.003 . 1 . . . . 265 LEU H . 26832 1 830 . 1 1 265 265 LEU CA C 13 56.593 0.26 . 1 . . . . 265 LEU CA . 26832 1 831 . 1 1 265 265 LEU CB C 13 42.304 0.26 . 1 . . . . 265 LEU CB . 26832 1 832 . 1 1 265 265 LEU N N 15 115.251 0.13 . 1 . . . . 265 LEU N . 26832 1 833 . 1 1 266 266 ILE H H 1 8.292 0.003 . 1 . . . . 266 ILE H . 26832 1 834 . 1 1 266 266 ILE CA C 13 65.179 0.26 . 1 . . . . 266 ILE CA . 26832 1 835 . 1 1 266 266 ILE CB C 13 42.408 0.26 . 1 . . . . 266 ILE CB . 26832 1 836 . 1 1 266 266 ILE N N 15 115.799 0.13 . 1 . . . . 266 ILE N . 26832 1 837 . 1 1 267 267 GLN H H 1 8.690 0.003 . 1 . . . . 267 GLN H . 26832 1 838 . 1 1 267 267 GLN CA C 13 58.249 0.26 . 1 . . . . 267 GLN CA . 26832 1 839 . 1 1 267 267 GLN CB C 13 33.307 0.26 . 1 . . . . 267 GLN CB . 26832 1 840 . 1 1 267 267 GLN N N 15 126.342 0.13 . 1 . . . . 267 GLN N . 26832 1 841 . 1 1 268 268 THR H H 1 6.587 0.003 . 1 . . . . 268 THR H . 26832 1 842 . 1 1 268 268 THR CA C 13 58.731 0.26 . 1 . . . . 268 THR CA . 26832 1 843 . 1 1 268 268 THR CB C 13 74.233 0.26 . 1 . . . . 268 THR CB . 26832 1 844 . 1 1 268 268 THR N N 15 105.214 0.13 . 1 . . . . 268 THR N . 26832 1 845 . 1 1 269 269 ALA H H 1 8.535 0.003 . 1 . . . . 269 ALA H . 26832 1 846 . 1 1 269 269 ALA CA C 13 55.254 0.26 . 1 . . . . 269 ALA CA . 26832 1 847 . 1 1 269 269 ALA CB C 13 18.006 0.26 . 1 . . . . 269 ALA CB . 26832 1 848 . 1 1 269 269 ALA N N 15 123.666 0.13 . 1 . . . . 269 ALA N . 26832 1 849 . 1 1 270 270 ASP H H 1 7.768 0.003 . 1 . . . . 270 ASP H . 26832 1 850 . 1 1 270 270 ASP CA C 13 57.542 0.26 . 1 . . . . 270 ASP CA . 26832 1 851 . 1 1 270 270 ASP CB C 13 40.606 0.26 . 1 . . . . 270 ASP CB . 26832 1 852 . 1 1 270 270 ASP N N 15 116.339 0.13 . 1 . . . . 270 ASP N . 26832 1 853 . 1 1 271 271 GLN H H 1 7.727 0.003 . 1 . . . . 271 GLN H . 26832 1 854 . 1 1 271 271 GLN CA C 13 59.756 0.26 . 1 . . . . 271 GLN CA . 26832 1 855 . 1 1 271 271 GLN CB C 13 29.008 0.26 . 1 . . . . 271 GLN CB . 26832 1 856 . 1 1 271 271 GLN N N 15 120.022 0.13 . 1 . . . . 271 GLN N . 26832 1 857 . 1 1 272 272 LEU H H 1 7.493 0.003 . 1 . . . . 272 LEU H . 26832 1 858 . 1 1 272 272 LEU CA C 13 59.268 0.26 . 1 . . . . 272 LEU CA . 26832 1 859 . 1 1 272 272 LEU CB C 13 41.760 0.26 . 1 . . . . 272 LEU CB . 26832 1 860 . 1 1 272 272 LEU N N 15 124.321 0.13 . 1 . . . . 272 LEU N . 26832 1 861 . 1 1 273 273 ARG H H 1 7.815 0.003 . 1 . . . . 273 ARG H . 26832 1 862 . 1 1 273 273 ARG CA C 13 60.565 0.26 . 1 . . . . 273 ARG CA . 26832 1 863 . 1 1 273 273 ARG CB C 13 29.319 0.26 . 1 . . . . 273 ARG CB . 26832 1 864 . 1 1 273 273 ARG N N 15 121.448 0.13 . 1 . . . . 273 ARG N . 26832 1 865 . 1 1 274 274 PHE H H 1 8.134 0.003 . 1 . . . . 274 PHE H . 26832 1 866 . 1 1 274 274 PHE CA C 13 62.736 0.26 . 1 . . . . 274 PHE CA . 26832 1 867 . 1 1 274 274 PHE CB C 13 40.196 0.26 . 1 . . . . 274 PHE CB . 26832 1 868 . 1 1 274 274 PHE N N 15 117.848 0.13 . 1 . . . . 274 PHE N . 26832 1 869 . 1 1 275 275 SER H H 1 7.868 0.003 . 1 . . . . 275 SER H . 26832 1 870 . 1 1 275 275 SER CA C 13 64.335 0.26 . 1 . . . . 275 SER CA . 26832 1 871 . 1 1 275 275 SER CB C 13 63.757 0.26 . 1 . . . . 275 SER CB . 26832 1 872 . 1 1 275 275 SER N N 15 115.662 0.13 . 1 . . . . 275 SER N . 26832 1 873 . 1 1 276 276 TYR H H 1 7.807 0.003 . 1 . . . . 276 TYR H . 26832 1 874 . 1 1 276 276 TYR CA C 13 60.450 0.26 . 1 . . . . 276 TYR CA . 26832 1 875 . 1 1 276 276 TYR CB C 13 42.149 0.26 . 1 . . . . 276 TYR CB . 26832 1 876 . 1 1 276 276 TYR N N 15 121.057 0.13 . 1 . . . . 276 TYR N . 26832 1 877 . 1 1 277 277 LEU H H 1 8.327 0.003 . 1 . . . . 277 LEU H . 26832 1 878 . 1 1 277 277 LEU CA C 13 58.288 0.26 . 1 . . . . 277 LEU CA . 26832 1 879 . 1 1 277 277 LEU CB C 13 42.744 0.26 . 1 . . . . 277 LEU CB . 26832 1 880 . 1 1 277 277 LEU N N 15 119.152 0.13 . 1 . . . . 277 LEU N . 26832 1 881 . 1 1 278 278 ALA H H 1 8.436 0.003 . 1 . . . . 278 ALA H . 26832 1 882 . 1 1 278 278 ALA CA C 13 55.428 0.26 . 1 . . . . 278 ALA CA . 26832 1 883 . 1 1 278 278 ALA CB C 13 17.169 0.26 . 1 . . . . 278 ALA CB . 26832 1 884 . 1 1 278 278 ALA N N 15 119.729 0.13 . 1 . . . . 278 ALA N . 26832 1 885 . 1 1 279 279 VAL H H 1 7.681 0.003 . 1 . . . . 279 VAL H . 26832 1 886 . 1 1 279 279 VAL CA C 13 67.621 0.26 . 1 . . . . 279 VAL CA . 26832 1 887 . 1 1 279 279 VAL CB C 13 31.595 0.26 . 1 . . . . 279 VAL CB . 26832 1 888 . 1 1 279 279 VAL N N 15 118.446 0.13 . 1 . . . . 279 VAL N . 26832 1 889 . 1 1 280 280 ILE H H 1 8.393 0.003 . 1 . . . . 280 ILE H . 26832 1 890 . 1 1 280 280 ILE CA C 13 66.746 0.26 . 1 . . . . 280 ILE CA . 26832 1 891 . 1 1 280 280 ILE CB C 13 38.838 0.26 . 1 . . . . 280 ILE CB . 26832 1 892 . 1 1 280 280 ILE N N 15 119.916 0.13 . 1 . . . . 280 ILE N . 26832 1 893 . 1 1 281 281 GLU CA C 13 59.595 0.26 . 1 . . . . 281 GLU CA . 26832 1 894 . 1 1 282 282 GLY H H 1 8.626 0.003 . 1 . . . . 282 GLY H . 26832 1 895 . 1 1 282 282 GLY CA C 13 48.617 0.26 . 1 . . . . 282 GLY CA . 26832 1 896 . 1 1 282 282 GLY N N 15 110.246 0.13 . 1 . . . . 282 GLY N . 26832 1 897 . 1 1 283 283 ALA H H 1 8.484 0.003 . 1 . . . . 283 ALA H . 26832 1 898 . 1 1 283 283 ALA CA C 13 55.656 0.26 . 1 . . . . 283 ALA CA . 26832 1 899 . 1 1 283 283 ALA CB C 13 18.971 0.26 . 1 . . . . 283 ALA CB . 26832 1 900 . 1 1 283 283 ALA N N 15 125.379 0.13 . 1 . . . . 283 ALA N . 26832 1 901 . 1 1 284 284 LYS H H 1 7.377 0.003 . 1 . . . . 284 LYS H . 26832 1 902 . 1 1 284 284 LYS CA C 13 59.903 0.26 . 1 . . . . 284 LYS CA . 26832 1 903 . 1 1 284 284 LYS CB C 13 32.543 0.26 . 1 . . . . 284 LYS CB . 26832 1 904 . 1 1 284 284 LYS N N 15 116.345 0.13 . 1 . . . . 284 LYS N . 26832 1 905 . 1 1 285 285 PHE H H 1 7.536 0.003 . 1 . . . . 285 PHE H . 26832 1 906 . 1 1 285 285 PHE CA C 13 60.839 0.26 . 1 . . . . 285 PHE CA . 26832 1 907 . 1 1 285 285 PHE CB C 13 39.757 0.26 . 1 . . . . 285 PHE CB . 26832 1 908 . 1 1 285 285 PHE N N 15 118.281 0.13 . 1 . . . . 285 PHE N . 26832 1 909 . 1 1 286 286 ILE H H 1 7.833 0.003 . 1 . . . . 286 ILE H . 26832 1 910 . 1 1 286 286 ILE CA C 13 63.718 0.26 . 1 . . . . 286 ILE CA . 26832 1 911 . 1 1 286 286 ILE CB C 13 38.786 0.26 . 1 . . . . 286 ILE CB . 26832 1 912 . 1 1 286 286 ILE N N 15 118.301 0.13 . 1 . . . . 286 ILE N . 26832 1 913 . 1 1 287 287 MET H H 1 7.997 0.003 . 1 . . . . 287 MET H . 26832 1 914 . 1 1 287 287 MET CA C 13 56.662 0.26 . 1 . . . . 287 MET CA . 26832 1 915 . 1 1 287 287 MET CB C 13 32.850 0.26 . 1 . . . . 287 MET CB . 26832 1 916 . 1 1 287 287 MET N N 15 118.938 0.13 . 1 . . . . 287 MET N . 26832 1 917 . 1 1 288 288 GLY H H 1 7.580 0.003 . 1 . . . . 288 GLY H . 26832 1 918 . 1 1 288 288 GLY CA C 13 46.233 0.26 . 1 . . . . 288 GLY CA . 26832 1 919 . 1 1 288 288 GLY N N 15 108.344 0.13 . 1 . . . . 288 GLY N . 26832 1 920 . 1 1 289 289 ASP H H 1 8.021 0.003 . 1 . . . . 289 ASP H . 26832 1 921 . 1 1 289 289 ASP CA C 13 54.949 0.26 . 1 . . . . 289 ASP CA . 26832 1 922 . 1 1 289 289 ASP CB C 13 42.096 0.26 . 1 . . . . 289 ASP CB . 26832 1 923 . 1 1 289 289 ASP N N 15 120.930 0.13 . 1 . . . . 289 ASP N . 26832 1 924 . 1 1 290 290 SER H H 1 8.239 0.003 . 1 . . . . 290 SER H . 26832 1 925 . 1 1 290 290 SER CA C 13 60.074 0.26 . 1 . . . . 290 SER CA . 26832 1 926 . 1 1 290 290 SER CB C 13 64.210 0.26 . 1 . . . . 290 SER CB . 26832 1 927 . 1 1 290 290 SER N N 15 117.948 0.13 . 1 . . . . 290 SER N . 26832 1 928 . 1 1 291 291 SER H H 1 8.312 0.003 . 1 . . . . 291 SER H . 26832 1 929 . 1 1 291 291 SER CA C 13 60.251 0.26 . 1 . . . . 291 SER CA . 26832 1 930 . 1 1 291 291 SER CB C 13 64.271 0.26 . 1 . . . . 291 SER CB . 26832 1 931 . 1 1 291 291 SER N N 15 118.685 0.13 . 1 . . . . 291 SER N . 26832 1 932 . 1 1 292 292 VAL H H 1 7.739 0.003 . 1 . . . . 292 VAL H . 26832 1 933 . 1 1 292 292 VAL CA C 13 63.835 0.26 . 1 . . . . 292 VAL CA . 26832 1 934 . 1 1 292 292 VAL CB C 13 32.560 0.26 . 1 . . . . 292 VAL CB . 26832 1 935 . 1 1 292 292 VAL N N 15 121.477 0.13 . 1 . . . . 292 VAL N . 26832 1 936 . 1 1 293 293 GLN H H 1 8.314 0.003 . 1 . . . . 293 GLN H . 26832 1 937 . 1 1 293 293 GLN CA C 13 56.222 0.26 . 1 . . . . 293 GLN CA . 26832 1 938 . 1 1 293 293 GLN CB C 13 30.285 0.26 . 1 . . . . 293 GLN CB . 26832 1 939 . 1 1 293 293 GLN N N 15 119.527 0.13 . 1 . . . . 293 GLN N . 26832 1 940 . 1 1 294 294 ASP H H 1 8.056 0.003 . 1 . . . . 294 ASP H . 26832 1 941 . 1 1 294 294 ASP CA C 13 55.901 0.26 . 1 . . . . 294 ASP CA . 26832 1 942 . 1 1 294 294 ASP CB C 13 40.882 0.26 . 1 . . . . 294 ASP CB . 26832 1 943 . 1 1 294 294 ASP N N 15 125.911 0.13 . 1 . . . . 294 ASP N . 26832 1 944 . 1 1 295 295 GLN H H 1 7.938 0.003 . 1 . . . . 295 GLN H . 26832 1 945 . 1 1 295 295 GLN CB C 13 29.241 0.26 . 1 . . . . 295 GLN CB . 26832 1 946 . 1 1 295 295 GLN N N 15 120.166 0.13 . 1 . . . . 295 GLN N . 26832 1 947 . 1 1 296 296 TRP H H 1 7.927 0.003 . 1 . . . . 296 TRP H . 26832 1 948 . 1 1 296 296 TRP HE1 H 1 10.079 0.003 . 1 . . . . 296 TRP HE1 . 26832 1 949 . 1 1 296 296 TRP CA C 13 58.608 0.26 . 1 . . . . 296 TRP CA . 26832 1 950 . 1 1 296 296 TRP CB C 13 29.522 0.26 . 1 . . . . 296 TRP CB . 26832 1 951 . 1 1 296 296 TRP N N 15 121.196 0.13 . 1 . . . . 296 TRP N . 26832 1 952 . 1 1 296 296 TRP NE1 N 15 129.907 0.13 . 1 . . . . 296 TRP NE1 . 26832 1 953 . 1 1 297 297 LYS H H 1 7.598 0.003 . 1 . . . . 297 LYS H . 26832 1 954 . 1 1 297 297 LYS CA C 13 57.670 0.26 . 1 . . . . 297 LYS CA . 26832 1 955 . 1 1 297 297 LYS CB C 13 33.365 0.26 . 1 . . . . 297 LYS CB . 26832 1 956 . 1 1 297 297 LYS N N 15 122.348 0.13 . 1 . . . . 297 LYS N . 26832 1 957 . 1 1 298 298 GLU H H 1 8.005 0.003 . 1 . . . . 298 GLU H . 26832 1 958 . 1 1 298 298 GLU CA C 13 57.938 0.26 . 1 . . . . 298 GLU CA . 26832 1 959 . 1 1 298 298 GLU CB C 13 30.372 0.26 . 1 . . . . 298 GLU CB . 26832 1 960 . 1 1 298 298 GLU N N 15 121.256 0.13 . 1 . . . . 298 GLU N . 26832 1 961 . 1 1 299 299 LEU H H 1 7.993 0.003 . 1 . . . . 299 LEU H . 26832 1 962 . 1 1 299 299 LEU CA C 13 55.943 0.26 . 1 . . . . 299 LEU CA . 26832 1 963 . 1 1 299 299 LEU CB C 13 42.615 0.26 . 1 . . . . 299 LEU CB . 26832 1 964 . 1 1 299 299 LEU N N 15 122.992 0.13 . 1 . . . . 299 LEU N . 26832 1 965 . 1 1 300 300 SER H H 1 8.091 0.003 . 1 . . . . 300 SER H . 26832 1 966 . 1 1 300 300 SER CA C 13 59.136 0.26 . 1 . . . . 300 SER CA . 26832 1 967 . 1 1 300 300 SER CB C 13 64.551 0.26 . 1 . . . . 300 SER CB . 26832 1 968 . 1 1 300 300 SER N N 15 116.333 0.13 . 1 . . . . 300 SER N . 26832 1 969 . 1 1 301 301 HIS H H 1 8.364 0.003 . 1 . . . . 301 HIS H . 26832 1 970 . 1 1 301 301 HIS CA C 13 57.630 0.26 . 1 . . . . 301 HIS CA . 26832 1 971 . 1 1 301 301 HIS CB C 13 34.055 0.26 . 1 . . . . 301 HIS CB . 26832 1 972 . 1 1 301 301 HIS N N 15 122.947 0.13 . 1 . . . . 301 HIS N . 26832 1 973 . 1 1 302 302 GLU CA C 13 57.781 0.26 . 1 . . . . 302 GLU CA . 26832 1 974 . 1 1 302 302 GLU CB C 13 30.762 0.26 . 1 . . . . 302 GLU CB . 26832 1 975 . 1 1 303 303 ASP H H 1 8.263 0.003 . 1 . . . . 303 ASP H . 26832 1 976 . 1 1 303 303 ASP CA C 13 55.414 0.26 . 1 . . . . 303 ASP CA . 26832 1 977 . 1 1 303 303 ASP CB C 13 41.792 0.26 . 1 . . . . 303 ASP CB . 26832 1 978 . 1 1 303 303 ASP N N 15 121.556 0.13 . 1 . . . . 303 ASP N . 26832 1 979 . 1 1 304 304 LEU H H 1 7.880 0.003 . 1 . . . . 304 LEU H . 26832 1 980 . 1 1 304 304 LEU CA C 13 55.907 0.26 . 1 . . . . 304 LEU CA . 26832 1 981 . 1 1 304 304 LEU CB C 13 42.782 0.26 . 1 . . . . 304 LEU CB . 26832 1 982 . 1 1 304 304 LEU N N 15 122.774 0.13 . 1 . . . . 304 LEU N . 26832 1 983 . 1 1 305 305 GLU H H 1 8.014 0.003 . 1 . . . . 305 GLU H . 26832 1 984 . 1 1 305 305 GLU CA C 13 54.406 0.26 . 1 . . . . 305 GLU CA . 26832 1 985 . 1 1 305 305 GLU CB C 13 30.158 0.26 . 1 . . . . 305 GLU CB . 26832 1 986 . 1 1 305 305 GLU N N 15 122.799 0.13 . 1 . . . . 305 GLU N . 26832 1 stop_ save_