data_26837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26837 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for Protein Tyrosine Phosphatase 1B N193A variant. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-23 _Entry.Accession_date 2016-06-23 _Entry.Last_release_date 2016-06-24 _Entry.Original_release_date 2016-06-24 _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 W. . . . 26837 2 Rebecca Page R. . . . 26837 3 Yang Li Y. . . . 26837 4 Meng Choy M. S. . . 26837 5 Luciana Machado L. . . . 26837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 26837 '15N chemical shifts' 233 26837 '1H chemical shifts' 233 26837 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 . 26837 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19224 . 26837 BMRB 26835 'Protein Phosphatase 1B T178A variant' 26837 BMRB 26836 'Protein Tyrosine Phosphatase 1B L192A variant' 26837 BMRB 26838 'Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401' 26837 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26837 _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 M. S. . . 26837 1 2 Yang Li Y. . . . 26837 1 3 Luciana Machado L. . . . 26837 1 4 Chritopher Connors C. R. . . 26837 1 5 Xinyu Wei X. . . . 26837 1 6 Rebecca Page R. . . . 26837 1 7 Wolfgang Peti W. . . . 26837 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26837 _Assembly.ID 1 _Assembly.Name 'Protein Tyrosine Phosphatase 1B N193A 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 N193A variant' 1 $PTP1B_N193A_mutant A . yes native no no . . . 26837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTP1B_N193A_mutant _Entity.Sf_category entity _Entity.Sf_framecode PTP1B_N193A_mutant _Entity.Entry_ID 26837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTP1B_N193A_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 EDTNLKLTLISEDIKSYYTV RQLELENLTTQETREILHFH YTTWPDFGVPESPASFLAFL FKVRESGSLSPEHGPVVVHC SAGIGRSGTFCLADTCLLLM DKRKDPSSVDIKKVLLEMRK FRMGLIQTADQLRFSYLAVI EGAKFIMGDSSVQDQWKELS HEDLEPHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GHMAS are a 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 . 26837 1 2 2 HIS . 26837 1 3 3 MET . 26837 1 4 4 ALA . 26837 1 5 5 SER . 26837 1 6 6 MET . 26837 1 7 7 GLU . 26837 1 8 8 MET . 26837 1 9 9 GLU . 26837 1 10 10 LYS . 26837 1 11 11 GLU . 26837 1 12 12 PHE . 26837 1 13 13 GLU . 26837 1 14 14 GLN . 26837 1 15 15 ILE . 26837 1 16 16 ASP . 26837 1 17 17 LYS . 26837 1 18 18 SER . 26837 1 19 19 GLY . 26837 1 20 20 SER . 26837 1 21 21 TRP . 26837 1 22 22 ALA . 26837 1 23 23 ALA . 26837 1 24 24 ILE . 26837 1 25 25 TYR . 26837 1 26 26 GLN . 26837 1 27 27 ASP . 26837 1 28 28 ILE . 26837 1 29 29 ARG . 26837 1 30 30 HIS . 26837 1 31 31 GLU . 26837 1 32 32 ALA . 26837 1 33 33 SER . 26837 1 34 34 ASP . 26837 1 35 35 PHE . 26837 1 36 36 PRO . 26837 1 37 37 CYS . 26837 1 38 38 ARG . 26837 1 39 39 VAL . 26837 1 40 40 ALA . 26837 1 41 41 LYS . 26837 1 42 42 LEU . 26837 1 43 43 PRO . 26837 1 44 44 LYS . 26837 1 45 45 ASN . 26837 1 46 46 LYS . 26837 1 47 47 ASN . 26837 1 48 48 ARG . 26837 1 49 49 ASN . 26837 1 50 50 ARG . 26837 1 51 51 TYR . 26837 1 52 52 ARG . 26837 1 53 53 ASP . 26837 1 54 54 VAL . 26837 1 55 55 SER . 26837 1 56 56 PRO . 26837 1 57 57 PHE . 26837 1 58 58 ASP . 26837 1 59 59 HIS . 26837 1 60 60 SER . 26837 1 61 61 ARG . 26837 1 62 62 ILE . 26837 1 63 63 LYS . 26837 1 64 64 LEU . 26837 1 65 65 HIS . 26837 1 66 66 GLN . 26837 1 67 67 GLU . 26837 1 68 68 ASP . 26837 1 69 69 ASN . 26837 1 70 70 ASP . 26837 1 71 71 TYR . 26837 1 72 72 ILE . 26837 1 73 73 ASN . 26837 1 74 74 ALA . 26837 1 75 75 SER . 26837 1 76 76 LEU . 26837 1 77 77 ILE . 26837 1 78 78 LYS . 26837 1 79 79 MET . 26837 1 80 80 GLU . 26837 1 81 81 GLU . 26837 1 82 82 ALA . 26837 1 83 83 GLN . 26837 1 84 84 ARG . 26837 1 85 85 SER . 26837 1 86 86 TYR . 26837 1 87 87 ILE . 26837 1 88 88 LEU . 26837 1 89 89 THR . 26837 1 90 90 GLN . 26837 1 91 91 GLY . 26837 1 92 92 PRO . 26837 1 93 93 LEU . 26837 1 94 94 PRO . 26837 1 95 95 ASN . 26837 1 96 96 THR . 26837 1 97 97 CYS . 26837 1 98 98 GLY . 26837 1 99 99 HIS . 26837 1 100 100 PHE . 26837 1 101 101 TRP . 26837 1 102 102 GLU . 26837 1 103 103 MET . 26837 1 104 104 VAL . 26837 1 105 105 TRP . 26837 1 106 106 GLU . 26837 1 107 107 GLN . 26837 1 108 108 LYS . 26837 1 109 109 SER . 26837 1 110 110 ARG . 26837 1 111 111 GLY . 26837 1 112 112 VAL . 26837 1 113 113 VAL . 26837 1 114 114 MET . 26837 1 115 115 LEU . 26837 1 116 116 ASN . 26837 1 117 117 ARG . 26837 1 118 118 VAL . 26837 1 119 119 MET . 26837 1 120 120 GLU . 26837 1 121 121 LYS . 26837 1 122 122 GLY . 26837 1 123 123 SER . 26837 1 124 124 LEU . 26837 1 125 125 LYS . 26837 1 126 126 CYS . 26837 1 127 127 ALA . 26837 1 128 128 GLN . 26837 1 129 129 TYR . 26837 1 130 130 TRP . 26837 1 131 131 PRO . 26837 1 132 132 GLN . 26837 1 133 133 LYS . 26837 1 134 134 GLU . 26837 1 135 135 GLU . 26837 1 136 136 LYS . 26837 1 137 137 GLU . 26837 1 138 138 MET . 26837 1 139 139 ILE . 26837 1 140 140 PHE . 26837 1 141 141 GLU . 26837 1 142 142 ASP . 26837 1 143 143 THR . 26837 1 144 144 ASN . 26837 1 145 145 LEU . 26837 1 146 146 LYS . 26837 1 147 147 LEU . 26837 1 148 148 THR . 26837 1 149 149 LEU . 26837 1 150 150 ILE . 26837 1 151 151 SER . 26837 1 152 152 GLU . 26837 1 153 153 ASP . 26837 1 154 154 ILE . 26837 1 155 155 LYS . 26837 1 156 156 SER . 26837 1 157 157 TYR . 26837 1 158 158 TYR . 26837 1 159 159 THR . 26837 1 160 160 VAL . 26837 1 161 161 ARG . 26837 1 162 162 GLN . 26837 1 163 163 LEU . 26837 1 164 164 GLU . 26837 1 165 165 LEU . 26837 1 166 166 GLU . 26837 1 167 167 ASN . 26837 1 168 168 LEU . 26837 1 169 169 THR . 26837 1 170 170 THR . 26837 1 171 171 GLN . 26837 1 172 172 GLU . 26837 1 173 173 THR . 26837 1 174 174 ARG . 26837 1 175 175 GLU . 26837 1 176 176 ILE . 26837 1 177 177 LEU . 26837 1 178 178 HIS . 26837 1 179 179 PHE . 26837 1 180 180 HIS . 26837 1 181 181 TYR . 26837 1 182 182 THR . 26837 1 183 183 THR . 26837 1 184 184 TRP . 26837 1 185 185 PRO . 26837 1 186 186 ASP . 26837 1 187 187 PHE . 26837 1 188 188 GLY . 26837 1 189 189 VAL . 26837 1 190 190 PRO . 26837 1 191 191 GLU . 26837 1 192 192 SER . 26837 1 193 193 PRO . 26837 1 194 194 ALA . 26837 1 195 195 SER . 26837 1 196 196 PHE . 26837 1 197 197 LEU . 26837 1 198 198 ALA . 26837 1 199 199 PHE . 26837 1 200 200 LEU . 26837 1 201 201 PHE . 26837 1 202 202 LYS . 26837 1 203 203 VAL . 26837 1 204 204 ARG . 26837 1 205 205 GLU . 26837 1 206 206 SER . 26837 1 207 207 GLY . 26837 1 208 208 SER . 26837 1 209 209 LEU . 26837 1 210 210 SER . 26837 1 211 211 PRO . 26837 1 212 212 GLU . 26837 1 213 213 HIS . 26837 1 214 214 GLY . 26837 1 215 215 PRO . 26837 1 216 216 VAL . 26837 1 217 217 VAL . 26837 1 218 218 VAL . 26837 1 219 219 HIS . 26837 1 220 220 CYS . 26837 1 221 221 SER . 26837 1 222 222 ALA . 26837 1 223 223 GLY . 26837 1 224 224 ILE . 26837 1 225 225 GLY . 26837 1 226 226 ARG . 26837 1 227 227 SER . 26837 1 228 228 GLY . 26837 1 229 229 THR . 26837 1 230 230 PHE . 26837 1 231 231 CYS . 26837 1 232 232 LEU . 26837 1 233 233 ALA . 26837 1 234 234 ASP . 26837 1 235 235 THR . 26837 1 236 236 CYS . 26837 1 237 237 LEU . 26837 1 238 238 LEU . 26837 1 239 239 LEU . 26837 1 240 240 MET . 26837 1 241 241 ASP . 26837 1 242 242 LYS . 26837 1 243 243 ARG . 26837 1 244 244 LYS . 26837 1 245 245 ASP . 26837 1 246 246 PRO . 26837 1 247 247 SER . 26837 1 248 248 SER . 26837 1 249 249 VAL . 26837 1 250 250 ASP . 26837 1 251 251 ILE . 26837 1 252 252 LYS . 26837 1 253 253 LYS . 26837 1 254 254 VAL . 26837 1 255 255 LEU . 26837 1 256 256 LEU . 26837 1 257 257 GLU . 26837 1 258 258 MET . 26837 1 259 259 ARG . 26837 1 260 260 LYS . 26837 1 261 261 PHE . 26837 1 262 262 ARG . 26837 1 263 263 MET . 26837 1 264 264 GLY . 26837 1 265 265 LEU . 26837 1 266 266 ILE . 26837 1 267 267 GLN . 26837 1 268 268 THR . 26837 1 269 269 ALA . 26837 1 270 270 ASP . 26837 1 271 271 GLN . 26837 1 272 272 LEU . 26837 1 273 273 ARG . 26837 1 274 274 PHE . 26837 1 275 275 SER . 26837 1 276 276 TYR . 26837 1 277 277 LEU . 26837 1 278 278 ALA . 26837 1 279 279 VAL . 26837 1 280 280 ILE . 26837 1 281 281 GLU . 26837 1 282 282 GLY . 26837 1 283 283 ALA . 26837 1 284 284 LYS . 26837 1 285 285 PHE . 26837 1 286 286 ILE . 26837 1 287 287 MET . 26837 1 288 288 GLY . 26837 1 289 289 ASP . 26837 1 290 290 SER . 26837 1 291 291 SER . 26837 1 292 292 VAL . 26837 1 293 293 GLN . 26837 1 294 294 ASP . 26837 1 295 295 GLN . 26837 1 296 296 TRP . 26837 1 297 297 LYS . 26837 1 298 298 GLU . 26837 1 299 299 LEU . 26837 1 300 300 SER . 26837 1 301 301 HIS . 26837 1 302 302 GLU . 26837 1 303 303 ASP . 26837 1 304 304 LEU . 26837 1 305 305 GLU . 26837 1 306 306 PRO . 26837 1 307 307 HIS . 26837 1 308 308 ASN . 26837 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 26837 1 . HIS 2 2 26837 1 . MET 3 3 26837 1 . ALA 4 4 26837 1 . SER 5 5 26837 1 . MET 6 6 26837 1 . GLU 7 7 26837 1 . MET 8 8 26837 1 . GLU 9 9 26837 1 . LYS 10 10 26837 1 . GLU 11 11 26837 1 . PHE 12 12 26837 1 . GLU 13 13 26837 1 . GLN 14 14 26837 1 . ILE 15 15 26837 1 . ASP 16 16 26837 1 . LYS 17 17 26837 1 . SER 18 18 26837 1 . GLY 19 19 26837 1 . SER 20 20 26837 1 . TRP 21 21 26837 1 . ALA 22 22 26837 1 . ALA 23 23 26837 1 . ILE 24 24 26837 1 . TYR 25 25 26837 1 . GLN 26 26 26837 1 . ASP 27 27 26837 1 . ILE 28 28 26837 1 . ARG 29 29 26837 1 . HIS 30 30 26837 1 . GLU 31 31 26837 1 . ALA 32 32 26837 1 . SER 33 33 26837 1 . ASP 34 34 26837 1 . PHE 35 35 26837 1 . PRO 36 36 26837 1 . CYS 37 37 26837 1 . ARG 38 38 26837 1 . VAL 39 39 26837 1 . ALA 40 40 26837 1 . LYS 41 41 26837 1 . LEU 42 42 26837 1 . PRO 43 43 26837 1 . LYS 44 44 26837 1 . ASN 45 45 26837 1 . LYS 46 46 26837 1 . ASN 47 47 26837 1 . ARG 48 48 26837 1 . ASN 49 49 26837 1 . ARG 50 50 26837 1 . TYR 51 51 26837 1 . ARG 52 52 26837 1 . ASP 53 53 26837 1 . VAL 54 54 26837 1 . SER 55 55 26837 1 . PRO 56 56 26837 1 . PHE 57 57 26837 1 . ASP 58 58 26837 1 . HIS 59 59 26837 1 . SER 60 60 26837 1 . ARG 61 61 26837 1 . ILE 62 62 26837 1 . LYS 63 63 26837 1 . LEU 64 64 26837 1 . HIS 65 65 26837 1 . GLN 66 66 26837 1 . GLU 67 67 26837 1 . ASP 68 68 26837 1 . ASN 69 69 26837 1 . ASP 70 70 26837 1 . TYR 71 71 26837 1 . ILE 72 72 26837 1 . ASN 73 73 26837 1 . ALA 74 74 26837 1 . SER 75 75 26837 1 . LEU 76 76 26837 1 . ILE 77 77 26837 1 . LYS 78 78 26837 1 . MET 79 79 26837 1 . GLU 80 80 26837 1 . GLU 81 81 26837 1 . ALA 82 82 26837 1 . GLN 83 83 26837 1 . ARG 84 84 26837 1 . SER 85 85 26837 1 . TYR 86 86 26837 1 . ILE 87 87 26837 1 . LEU 88 88 26837 1 . THR 89 89 26837 1 . GLN 90 90 26837 1 . GLY 91 91 26837 1 . PRO 92 92 26837 1 . LEU 93 93 26837 1 . PRO 94 94 26837 1 . ASN 95 95 26837 1 . THR 96 96 26837 1 . CYS 97 97 26837 1 . GLY 98 98 26837 1 . HIS 99 99 26837 1 . PHE 100 100 26837 1 . TRP 101 101 26837 1 . GLU 102 102 26837 1 . MET 103 103 26837 1 . VAL 104 104 26837 1 . TRP 105 105 26837 1 . GLU 106 106 26837 1 . GLN 107 107 26837 1 . LYS 108 108 26837 1 . SER 109 109 26837 1 . ARG 110 110 26837 1 . GLY 111 111 26837 1 . VAL 112 112 26837 1 . VAL 113 113 26837 1 . MET 114 114 26837 1 . LEU 115 115 26837 1 . ASN 116 116 26837 1 . ARG 117 117 26837 1 . VAL 118 118 26837 1 . MET 119 119 26837 1 . GLU 120 120 26837 1 . LYS 121 121 26837 1 . GLY 122 122 26837 1 . SER 123 123 26837 1 . LEU 124 124 26837 1 . LYS 125 125 26837 1 . CYS 126 126 26837 1 . ALA 127 127 26837 1 . GLN 128 128 26837 1 . TYR 129 129 26837 1 . TRP 130 130 26837 1 . PRO 131 131 26837 1 . GLN 132 132 26837 1 . LYS 133 133 26837 1 . GLU 134 134 26837 1 . GLU 135 135 26837 1 . LYS 136 136 26837 1 . GLU 137 137 26837 1 . MET 138 138 26837 1 . ILE 139 139 26837 1 . PHE 140 140 26837 1 . GLU 141 141 26837 1 . ASP 142 142 26837 1 . THR 143 143 26837 1 . ASN 144 144 26837 1 . LEU 145 145 26837 1 . LYS 146 146 26837 1 . LEU 147 147 26837 1 . THR 148 148 26837 1 . LEU 149 149 26837 1 . ILE 150 150 26837 1 . SER 151 151 26837 1 . GLU 152 152 26837 1 . ASP 153 153 26837 1 . ILE 154 154 26837 1 . LYS 155 155 26837 1 . SER 156 156 26837 1 . TYR 157 157 26837 1 . TYR 158 158 26837 1 . THR 159 159 26837 1 . VAL 160 160 26837 1 . ARG 161 161 26837 1 . GLN 162 162 26837 1 . LEU 163 163 26837 1 . GLU 164 164 26837 1 . LEU 165 165 26837 1 . GLU 166 166 26837 1 . ASN 167 167 26837 1 . LEU 168 168 26837 1 . THR 169 169 26837 1 . THR 170 170 26837 1 . GLN 171 171 26837 1 . GLU 172 172 26837 1 . THR 173 173 26837 1 . ARG 174 174 26837 1 . GLU 175 175 26837 1 . ILE 176 176 26837 1 . LEU 177 177 26837 1 . HIS 178 178 26837 1 . PHE 179 179 26837 1 . HIS 180 180 26837 1 . TYR 181 181 26837 1 . THR 182 182 26837 1 . THR 183 183 26837 1 . TRP 184 184 26837 1 . PRO 185 185 26837 1 . ASP 186 186 26837 1 . PHE 187 187 26837 1 . GLY 188 188 26837 1 . VAL 189 189 26837 1 . PRO 190 190 26837 1 . GLU 191 191 26837 1 . SER 192 192 26837 1 . PRO 193 193 26837 1 . ALA 194 194 26837 1 . SER 195 195 26837 1 . PHE 196 196 26837 1 . LEU 197 197 26837 1 . ALA 198 198 26837 1 . PHE 199 199 26837 1 . LEU 200 200 26837 1 . PHE 201 201 26837 1 . LYS 202 202 26837 1 . VAL 203 203 26837 1 . ARG 204 204 26837 1 . GLU 205 205 26837 1 . SER 206 206 26837 1 . GLY 207 207 26837 1 . SER 208 208 26837 1 . LEU 209 209 26837 1 . SER 210 210 26837 1 . PRO 211 211 26837 1 . GLU 212 212 26837 1 . HIS 213 213 26837 1 . GLY 214 214 26837 1 . PRO 215 215 26837 1 . VAL 216 216 26837 1 . VAL 217 217 26837 1 . VAL 218 218 26837 1 . HIS 219 219 26837 1 . CYS 220 220 26837 1 . SER 221 221 26837 1 . ALA 222 222 26837 1 . GLY 223 223 26837 1 . ILE 224 224 26837 1 . GLY 225 225 26837 1 . ARG 226 226 26837 1 . SER 227 227 26837 1 . GLY 228 228 26837 1 . THR 229 229 26837 1 . PHE 230 230 26837 1 . CYS 231 231 26837 1 . LEU 232 232 26837 1 . ALA 233 233 26837 1 . ASP 234 234 26837 1 . THR 235 235 26837 1 . CYS 236 236 26837 1 . LEU 237 237 26837 1 . LEU 238 238 26837 1 . LEU 239 239 26837 1 . MET 240 240 26837 1 . ASP 241 241 26837 1 . LYS 242 242 26837 1 . ARG 243 243 26837 1 . LYS 244 244 26837 1 . ASP 245 245 26837 1 . PRO 246 246 26837 1 . SER 247 247 26837 1 . SER 248 248 26837 1 . VAL 249 249 26837 1 . ASP 250 250 26837 1 . ILE 251 251 26837 1 . LYS 252 252 26837 1 . LYS 253 253 26837 1 . VAL 254 254 26837 1 . LEU 255 255 26837 1 . LEU 256 256 26837 1 . GLU 257 257 26837 1 . MET 258 258 26837 1 . ARG 259 259 26837 1 . LYS 260 260 26837 1 . PHE 261 261 26837 1 . ARG 262 262 26837 1 . MET 263 263 26837 1 . GLY 264 264 26837 1 . LEU 265 265 26837 1 . ILE 266 266 26837 1 . GLN 267 267 26837 1 . THR 268 268 26837 1 . ALA 269 269 26837 1 . ASP 270 270 26837 1 . GLN 271 271 26837 1 . LEU 272 272 26837 1 . ARG 273 273 26837 1 . PHE 274 274 26837 1 . SER 275 275 26837 1 . TYR 276 276 26837 1 . LEU 277 277 26837 1 . ALA 278 278 26837 1 . VAL 279 279 26837 1 . ILE 280 280 26837 1 . GLU 281 281 26837 1 . GLY 282 282 26837 1 . ALA 283 283 26837 1 . LYS 284 284 26837 1 . PHE 285 285 26837 1 . ILE 286 286 26837 1 . MET 287 287 26837 1 . GLY 288 288 26837 1 . ASP 289 289 26837 1 . SER 290 290 26837 1 . SER 291 291 26837 1 . VAL 292 292 26837 1 . GLN 293 293 26837 1 . ASP 294 294 26837 1 . GLN 295 295 26837 1 . TRP 296 296 26837 1 . LYS 297 297 26837 1 . GLU 298 298 26837 1 . LEU 299 299 26837 1 . SER 300 300 26837 1 . HIS 301 301 26837 1 . GLU 302 302 26837 1 . ASP 303 303 26837 1 . LEU 304 304 26837 1 . GLU 305 305 26837 1 . PRO 306 306 26837 1 . HIS 307 307 26837 1 . ASN 308 308 26837 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 26837 _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_N193A_mutant . 9606 organism . 'Homo sapiens' humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26837 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 26837 _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_N193A_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pRP1B . . . 26837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26837 _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, N193A mutant' '[U-99% 2H; U-99% 15N]' . . 1 $PTP1B_N193A_mutant . . 0.2 . . mM . . . . 26837 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 26837 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26837 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 26837 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26837 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26837 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26837 _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, N193A mutant' '[U-99% 2H; U-99% 13C; U-99% 15N]' . . 1 $PTP1B_N193A_mutant . . 0.2 . . mM . . . . 26837 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 26837 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26837 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 26837 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26837 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26837 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 26837 _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 26837 1 pH 6.8 . pH 26837 1 pressure 1 . atm 26837 1 temperature 298 . K 26837 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26837 _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' . . 26837 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26837 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26837 _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' . . 26837 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26837 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 26837 _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 . . 26837 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26837 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 26837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _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 26837 _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 III HD' . 850 . . . 26837 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 26837 _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 . . . . . . . . . . . . . . . . 26837 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26837 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26837 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26837 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26837 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 26837 _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 . . . . . 26837 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26837 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26837 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 26837 _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' . . . 26837 1 2 '3D HNCA' . . . 26837 1 3 '3D HN(CO)CA' . . . 26837 1 4 '3D HNCACB' . . . 26837 1 5 '3D CBCA(CO)NH' . . . 26837 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 7.787 0.003 . 1 . . . . 5 SER H . 26837 1 2 . 1 1 5 5 SER CA C 13 60.841 0.260 . 1 . . . . 5 SER CA . 26837 1 3 . 1 1 5 5 SER CB C 13 62.175 0.260 . 1 . . . . 5 SER CB . 26837 1 4 . 1 1 5 5 SER N N 15 114.331 0.130 . 1 . . . . 5 SER N . 26837 1 5 . 1 1 6 6 MET H H 1 8.681 0.003 . 1 . . . . 6 MET H . 26837 1 6 . 1 1 6 6 MET CA C 13 59.370 0.260 . 1 . . . . 6 MET CA . 26837 1 7 . 1 1 6 6 MET CB C 13 32.801 0.260 . 1 . . . . 6 MET CB . 26837 1 8 . 1 1 6 6 MET N N 15 119.234 0.130 . 1 . . . . 6 MET N . 26837 1 9 . 1 1 7 7 GLU H H 1 7.914 0.003 . 1 . . . . 7 GLU H . 26837 1 10 . 1 1 7 7 GLU CA C 13 59.371 0.260 . 1 . . . . 7 GLU CA . 26837 1 11 . 1 1 7 7 GLU CB C 13 29.434 0.260 . 1 . . . . 7 GLU CB . 26837 1 12 . 1 1 7 7 GLU N N 15 119.699 0.130 . 1 . . . . 7 GLU N . 26837 1 13 . 1 1 8 8 MET H H 1 7.706 0.003 . 1 . . . . 8 MET H . 26837 1 14 . 1 1 8 8 MET CA C 13 58.995 0.260 . 1 . . . . 8 MET CA . 26837 1 15 . 1 1 8 8 MET CB C 13 30.975 0.260 . 1 . . . . 8 MET CB . 26837 1 16 . 1 1 8 8 MET N N 15 120.878 0.130 . 1 . . . . 8 MET N . 26837 1 17 . 1 1 10 10 LYS H H 1 8.379 0.003 . 1 . . . . 10 LYS H . 26837 1 18 . 1 1 10 10 LYS CA C 13 59.174 0.260 . 1 . . . . 10 LYS CA . 26837 1 19 . 1 1 10 10 LYS N N 15 120.029 0.130 . 1 . . . . 10 LYS N . 26837 1 20 . 1 1 11 11 GLU H H 1 8.218 0.003 . 1 . . . . 11 GLU H . 26837 1 21 . 1 1 11 11 GLU CA C 13 58.989 0.260 . 1 . . . . 11 GLU CA . 26837 1 22 . 1 1 11 11 GLU CB C 13 29.264 0.260 . 1 . . . . 11 GLU CB . 26837 1 23 . 1 1 11 11 GLU N N 15 121.593 0.130 . 1 . . . . 11 GLU N . 26837 1 24 . 1 1 12 12 PHE H H 1 8.518 0.003 . 1 . . . . 12 PHE H . 26837 1 25 . 1 1 12 12 PHE CA C 13 61.837 0.260 . 1 . . . . 12 PHE CA . 26837 1 26 . 1 1 12 12 PHE CB C 13 39.429 0.260 . 1 . . . . 12 PHE CB . 26837 1 27 . 1 1 12 12 PHE N N 15 119.664 0.130 . 1 . . . . 12 PHE N . 26837 1 28 . 1 1 13 13 GLU H H 1 8.232 0.003 . 1 . . . . 13 GLU H . 26837 1 29 . 1 1 13 13 GLU CA C 13 59.002 0.260 . 1 . . . . 13 GLU CA . 26837 1 30 . 1 1 13 13 GLU CB C 13 28.960 0.260 . 1 . . . . 13 GLU CB . 26837 1 31 . 1 1 13 13 GLU N N 15 117.878 0.130 . 1 . . . . 13 GLU N . 26837 1 32 . 1 1 14 14 GLN H H 1 7.774 0.003 . 1 . . . . 14 GLN H . 26837 1 33 . 1 1 14 14 GLN CA C 13 58.550 0.260 . 1 . . . . 14 GLN CA . 26837 1 34 . 1 1 14 14 GLN CB C 13 27.502 0.260 . 1 . . . . 14 GLN CB . 26837 1 35 . 1 1 14 14 GLN N N 15 119.235 0.130 . 1 . . . . 14 GLN N . 26837 1 36 . 1 1 15 15 ILE H H 1 8.166 0.003 . 1 . . . . 15 ILE H . 26837 1 37 . 1 1 15 15 ILE CA C 13 64.498 0.260 . 1 . . . . 15 ILE CA . 26837 1 38 . 1 1 15 15 ILE CB C 13 37.577 0.260 . 1 . . . . 15 ILE CB . 26837 1 39 . 1 1 15 15 ILE N N 15 122.959 0.130 . 1 . . . . 15 ILE N . 26837 1 40 . 1 1 16 16 ASP H H 1 8.417 0.003 . 1 . . . . 16 ASP H . 26837 1 41 . 1 1 16 16 ASP CA C 13 57.010 0.260 . 1 . . . . 16 ASP CA . 26837 1 42 . 1 1 16 16 ASP CB C 13 40.790 0.260 . 1 . . . . 16 ASP CB . 26837 1 43 . 1 1 16 16 ASP N N 15 119.545 0.130 . 1 . . . . 16 ASP N . 26837 1 44 . 1 1 17 17 LYS H H 1 8.370 0.003 . 1 . . . . 17 LYS H . 26837 1 45 . 1 1 17 17 LYS CA C 13 58.416 0.260 . 1 . . . . 17 LYS CA . 26837 1 46 . 1 1 17 17 LYS CB C 13 31.357 0.260 . 1 . . . . 17 LYS CB . 26837 1 47 . 1 1 17 17 LYS N N 15 118.423 0.130 . 1 . . . . 17 LYS N . 26837 1 48 . 1 1 18 18 SER H H 1 7.544 0.003 . 1 . . . . 18 SER H . 26837 1 49 . 1 1 18 18 SER CA C 13 58.146 0.260 . 1 . . . . 18 SER CA . 26837 1 50 . 1 1 18 18 SER CB C 13 63.800 0.260 . 1 . . . . 18 SER CB . 26837 1 51 . 1 1 18 18 SER N N 15 111.575 0.130 . 1 . . . . 18 SER N . 26837 1 52 . 1 1 19 19 GLY H H 1 7.821 0.003 . 1 . . . . 19 GLY H . 26837 1 53 . 1 1 19 19 GLY CA C 13 46.545 0.260 . 1 . . . . 19 GLY CA . 26837 1 54 . 1 1 19 19 GLY N N 15 113.332 0.130 . 1 . . . . 19 GLY N . 26837 1 55 . 1 1 20 20 SER H H 1 7.802 0.003 . 1 . . . . 20 SER H . 26837 1 56 . 1 1 20 20 SER CA C 13 58.110 0.260 . 1 . . . . 20 SER CA . 26837 1 57 . 1 1 20 20 SER CB C 13 62.871 0.260 . 1 . . . . 20 SER CB . 26837 1 58 . 1 1 20 20 SER N N 15 111.648 0.130 . 1 . . . . 20 SER N . 26837 1 59 . 1 1 21 21 TRP H H 1 7.128 0.003 . 1 . . . . 21 TRP H . 26837 1 60 . 1 1 21 21 TRP HE1 H 1 11.028 0.003 . 1 . . . . 21 TRP HE1 . 26837 1 61 . 1 1 21 21 TRP CA C 13 60.088 0.260 . 1 . . . . 21 TRP CA . 26837 1 62 . 1 1 21 21 TRP CB C 13 28.395 0.260 . 1 . . . . 21 TRP CB . 26837 1 63 . 1 1 21 21 TRP N N 15 121.969 0.130 . 1 . . . . 21 TRP N . 26837 1 64 . 1 1 21 21 TRP NE1 N 15 130.953 0.130 . 1 . . . . 21 TRP NE1 . 26837 1 65 . 1 1 22 22 ALA H H 1 8.686 0.003 . 1 . . . . 22 ALA H . 26837 1 66 . 1 1 22 22 ALA CA C 13 55.142 0.260 . 1 . . . . 22 ALA CA . 26837 1 67 . 1 1 22 22 ALA CB C 13 16.880 0.260 . 1 . . . . 22 ALA CB . 26837 1 68 . 1 1 22 22 ALA N N 15 119.625 0.130 . 1 . . . . 22 ALA N . 26837 1 69 . 1 1 23 23 ALA H H 1 7.639 0.003 . 1 . . . . 23 ALA H . 26837 1 70 . 1 1 23 23 ALA CA C 13 54.708 0.260 . 1 . . . . 23 ALA CA . 26837 1 71 . 1 1 23 23 ALA CB C 13 17.230 0.260 . 1 . . . . 23 ALA CB . 26837 1 72 . 1 1 23 23 ALA N N 15 122.942 0.130 . 1 . . . . 23 ALA N . 26837 1 73 . 1 1 24 24 ILE H H 1 7.922 0.003 . 1 . . . . 24 ILE H . 26837 1 74 . 1 1 24 24 ILE CA C 13 62.932 0.260 . 1 . . . . 24 ILE CA . 26837 1 75 . 1 1 24 24 ILE CB C 13 36.302 0.260 . 1 . . . . 24 ILE CB . 26837 1 76 . 1 1 24 24 ILE N N 15 119.619 0.130 . 1 . . . . 24 ILE N . 26837 1 77 . 1 1 25 25 TYR H H 1 8.535 0.003 . 1 . . . . 25 TYR H . 26837 1 78 . 1 1 25 25 TYR CA C 13 61.972 0.260 . 1 . . . . 25 TYR CA . 26837 1 79 . 1 1 25 25 TYR CB C 13 37.954 0.260 . 1 . . . . 25 TYR CB . 26837 1 80 . 1 1 25 25 TYR N N 15 120.353 0.130 . 1 . . . . 25 TYR N . 26837 1 81 . 1 1 26 26 GLN H H 1 8.136 0.003 . 1 . . . . 26 GLN H . 26837 1 82 . 1 1 26 26 GLN CA C 13 57.992 0.260 . 1 . . . . 26 GLN CA . 26837 1 83 . 1 1 26 26 GLN CB C 13 26.961 0.260 . 1 . . . . 26 GLN CB . 26837 1 84 . 1 1 26 26 GLN N N 15 118.333 0.130 . 1 . . . . 26 GLN N . 26837 1 85 . 1 1 27 27 ASP H H 1 7.786 0.003 . 1 . . . . 27 ASP H . 26837 1 86 . 1 1 27 27 ASP CA C 13 57.394 0.260 . 1 . . . . 27 ASP CA . 26837 1 87 . 1 1 27 27 ASP CB C 13 39.518 0.260 . 1 . . . . 27 ASP CB . 26837 1 88 . 1 1 27 27 ASP N N 15 120.943 0.130 . 1 . . . . 27 ASP N . 26837 1 89 . 1 1 28 28 ILE H H 1 7.633 0.003 . 1 . . . . 28 ILE H . 26837 1 90 . 1 1 28 28 ILE CA C 13 64.541 0.260 . 1 . . . . 28 ILE CA . 26837 1 91 . 1 1 28 28 ILE CB C 13 36.311 0.260 . 1 . . . . 28 ILE CB . 26837 1 92 . 1 1 28 28 ILE N N 15 120.582 0.130 . 1 . . . . 28 ILE N . 26837 1 93 . 1 1 29 29 ARG H H 1 7.673 0.003 . 1 . . . . 29 ARG H . 26837 1 94 . 1 1 29 29 ARG CA C 13 59.492 0.260 . 1 . . . . 29 ARG CA . 26837 1 95 . 1 1 29 29 ARG CB C 13 28.976 0.260 . 1 . . . . 29 ARG CB . 26837 1 96 . 1 1 29 29 ARG N N 15 117.886 0.130 . 1 . . . . 29 ARG N . 26837 1 97 . 1 1 30 30 HIS H H 1 8.118 0.003 . 1 . . . . 30 HIS H . 26837 1 98 . 1 1 30 30 HIS CA C 13 57.886 0.260 . 1 . . . . 30 HIS CA . 26837 1 99 . 1 1 30 30 HIS CB C 13 29.160 0.260 . 1 . . . . 30 HIS CB . 26837 1 100 . 1 1 30 30 HIS N N 15 116.792 0.130 . 1 . . . . 30 HIS N . 26837 1 101 . 1 1 31 31 GLU H H 1 7.760 0.003 . 1 . . . . 31 GLU H . 26837 1 102 . 1 1 31 31 GLU CA C 13 55.942 0.260 . 1 . . . . 31 GLU CA . 26837 1 103 . 1 1 31 31 GLU CB C 13 30.055 0.260 . 1 . . . . 31 GLU CB . 26837 1 104 . 1 1 31 31 GLU N N 15 117.967 0.130 . 1 . . . . 31 GLU N . 26837 1 105 . 1 1 32 32 ALA H H 1 7.388 0.003 . 1 . . . . 32 ALA H . 26837 1 106 . 1 1 32 32 ALA CA C 13 52.453 0.260 . 1 . . . . 32 ALA CA . 26837 1 107 . 1 1 32 32 ALA CB C 13 18.504 0.260 . 1 . . . . 32 ALA CB . 26837 1 108 . 1 1 32 32 ALA N N 15 123.509 0.130 . 1 . . . . 32 ALA N . 26837 1 109 . 1 1 33 33 SER H H 1 7.952 0.003 . 1 . . . . 33 SER H . 26837 1 110 . 1 1 33 33 SER CA C 13 64.207 0.260 . 1 . . . . 33 SER CA . 26837 1 111 . 1 1 33 33 SER N N 15 117.382 0.130 . 1 . . . . 33 SER N . 26837 1 112 . 1 1 34 34 ASP H H 1 8.062 0.003 . 1 . . . . 34 ASP H . 26837 1 113 . 1 1 34 34 ASP CA C 13 53.189 0.260 . 1 . . . . 34 ASP CA . 26837 1 114 . 1 1 34 34 ASP CB C 13 42.787 0.260 . 1 . . . . 34 ASP CB . 26837 1 115 . 1 1 34 34 ASP N N 15 122.705 0.130 . 1 . . . . 34 ASP N . 26837 1 116 . 1 1 35 35 PHE H H 1 6.749 0.003 . 1 . . . . 35 PHE H . 26837 1 117 . 1 1 35 35 PHE CA C 13 54.863 0.260 . 1 . . . . 35 PHE CA . 26837 1 118 . 1 1 35 35 PHE CB C 13 40.177 0.260 . 1 . . . . 35 PHE CB . 26837 1 119 . 1 1 35 35 PHE N N 15 119.737 0.130 . 1 . . . . 35 PHE N . 26837 1 120 . 1 1 36 36 PRO CA C 13 63.958 0.260 . 1 . . . . 36 PRO CA . 26837 1 121 . 1 1 36 36 PRO CB C 13 32.049 0.260 . 1 . . . . 36 PRO CB . 26837 1 122 . 1 1 37 37 CYS H H 1 9.131 0.003 . 1 . . . . 37 CYS H . 26837 1 123 . 1 1 37 37 CYS CA C 13 56.005 0.260 . 1 . . . . 37 CYS CA . 26837 1 124 . 1 1 37 37 CYS CB C 13 27.921 0.260 . 1 . . . . 37 CYS CB . 26837 1 125 . 1 1 37 37 CYS N N 15 126.524 0.130 . 1 . . . . 37 CYS N . 26837 1 126 . 1 1 38 38 ARG H H 1 9.488 0.003 . 1 . . . . 38 ARG H . 26837 1 127 . 1 1 38 38 ARG CA C 13 59.453 0.260 . 1 . . . . 38 ARG CA . 26837 1 128 . 1 1 38 38 ARG CB C 13 29.802 0.260 . 1 . . . . 38 ARG CB . 26837 1 129 . 1 1 38 38 ARG N N 15 121.966 0.130 . 1 . . . . 38 ARG N . 26837 1 130 . 1 1 39 39 VAL H H 1 9.497 0.003 . 1 . . . . 39 VAL H . 26837 1 131 . 1 1 39 39 VAL CA C 13 66.509 0.260 . 1 . . . . 39 VAL CA . 26837 1 132 . 1 1 39 39 VAL CB C 13 29.694 0.260 . 1 . . . . 39 VAL CB . 26837 1 133 . 1 1 39 39 VAL N N 15 121.556 0.130 . 1 . . . . 39 VAL N . 26837 1 134 . 1 1 40 40 ALA H H 1 8.513 0.003 . 1 . . . . 40 ALA H . 26837 1 135 . 1 1 40 40 ALA CA C 13 54.259 0.260 . 1 . . . . 40 ALA CA . 26837 1 136 . 1 1 40 40 ALA CB C 13 20.341 0.260 . 1 . . . . 40 ALA CB . 26837 1 137 . 1 1 40 40 ALA N N 15 121.764 0.130 . 1 . . . . 40 ALA N . 26837 1 138 . 1 1 41 41 LYS H H 1 6.772 0.003 . 1 . . . . 41 LYS H . 26837 1 139 . 1 1 41 41 LYS CA C 13 54.826 0.260 . 1 . . . . 41 LYS CA . 26837 1 140 . 1 1 41 41 LYS CB C 13 32.001 0.260 . 1 . . . . 41 LYS CB . 26837 1 141 . 1 1 41 41 LYS N N 15 111.371 0.130 . 1 . . . . 41 LYS N . 26837 1 142 . 1 1 42 42 LEU H H 1 7.460 0.003 . 1 . . . . 42 LEU H . 26837 1 143 . 1 1 42 42 LEU CA C 13 53.775 0.260 . 1 . . . . 42 LEU CA . 26837 1 144 . 1 1 42 42 LEU CB C 13 40.240 0.260 . 1 . . . . 42 LEU CB . 26837 1 145 . 1 1 42 42 LEU N N 15 123.744 0.130 . 1 . . . . 42 LEU N . 26837 1 146 . 1 1 44 44 LYS H H 1 8.102 0.003 . 1 . . . . 44 LYS H . 26837 1 147 . 1 1 44 44 LYS CA C 13 57.478 0.260 . 1 . . . . 44 LYS CA . 26837 1 148 . 1 1 44 44 LYS CB C 13 30.594 0.260 . 1 . . . . 44 LYS CB . 26837 1 149 . 1 1 44 44 LYS N N 15 114.228 0.130 . 1 . . . . 44 LYS N . 26837 1 150 . 1 1 45 45 ASN H H 1 7.719 0.003 . 1 . . . . 45 ASN H . 26837 1 151 . 1 1 45 45 ASN CA C 13 52.595 0.260 . 1 . . . . 45 ASN CA . 26837 1 152 . 1 1 45 45 ASN CB C 13 38.825 0.260 . 1 . . . . 45 ASN CB . 26837 1 153 . 1 1 45 45 ASN N N 15 117.053 0.130 . 1 . . . . 45 ASN N . 26837 1 154 . 1 1 46 46 LYS H H 1 7.382 0.003 . 1 . . . . 46 LYS H . 26837 1 155 . 1 1 46 46 LYS CA C 13 60.390 0.260 . 1 . . . . 46 LYS CA . 26837 1 156 . 1 1 46 46 LYS CB C 13 31.624 0.260 . 1 . . . . 46 LYS CB . 26837 1 157 . 1 1 46 46 LYS N N 15 123.669 0.130 . 1 . . . . 46 LYS N . 26837 1 158 . 1 1 47 47 ASN H H 1 8.373 0.003 . 1 . . . . 47 ASN H . 26837 1 159 . 1 1 47 47 ASN CA C 13 52.699 0.260 . 1 . . . . 47 ASN CA . 26837 1 160 . 1 1 47 47 ASN CB C 13 36.327 0.260 . 1 . . . . 47 ASN CB . 26837 1 161 . 1 1 47 47 ASN N N 15 113.791 0.130 . 1 . . . . 47 ASN N . 26837 1 162 . 1 1 48 48 ARG H H 1 7.863 0.003 . 1 . . . . 48 ARG H . 26837 1 163 . 1 1 48 48 ARG CA C 13 55.721 0.260 . 1 . . . . 48 ARG CA . 26837 1 164 . 1 1 48 48 ARG CB C 13 30.549 0.260 . 1 . . . . 48 ARG CB . 26837 1 165 . 1 1 48 48 ARG N N 15 115.314 0.130 . 1 . . . . 48 ARG N . 26837 1 166 . 1 1 49 49 ASN H H 1 7.463 0.003 . 1 . . . . 49 ASN H . 26837 1 167 . 1 1 49 49 ASN CA C 13 52.135 0.260 . 1 . . . . 49 ASN CA . 26837 1 168 . 1 1 49 49 ASN CB C 13 40.843 0.260 . 1 . . . . 49 ASN CB . 26837 1 169 . 1 1 49 49 ASN N N 15 120.051 0.130 . 1 . . . . 49 ASN N . 26837 1 170 . 1 1 50 50 ARG H H 1 9.168 0.003 . 1 . . . . 50 ARG H . 26837 1 171 . 1 1 50 50 ARG CA C 13 58.731 0.260 . 1 . . . . 50 ARG CA . 26837 1 172 . 1 1 50 50 ARG CB C 13 30.186 0.260 . 1 . . . . 50 ARG CB . 26837 1 173 . 1 1 50 50 ARG N N 15 126.266 0.130 . 1 . . . . 50 ARG N . 26837 1 174 . 1 1 51 51 TYR H H 1 9.421 0.003 . 1 . . . . 51 TYR H . 26837 1 175 . 1 1 51 51 TYR CA C 13 55.785 0.260 . 1 . . . . 51 TYR CA . 26837 1 176 . 1 1 51 51 TYR CB C 13 39.585 0.260 . 1 . . . . 51 TYR CB . 26837 1 177 . 1 1 51 51 TYR N N 15 117.586 0.130 . 1 . . . . 51 TYR N . 26837 1 178 . 1 1 52 52 ARG CA C 13 57.833 0.260 . 1 . . . . 52 ARG CA . 26837 1 179 . 1 1 52 52 ARG CB C 13 29.113 0.260 . 1 . . . . 52 ARG CB . 26837 1 180 . 1 1 53 53 ASP H H 1 8.570 0.003 . 1 . . . . 53 ASP H . 26837 1 181 . 1 1 53 53 ASP CA C 13 53.005 0.260 . 1 . . . . 53 ASP CA . 26837 1 182 . 1 1 53 53 ASP CB C 13 39.735 0.260 . 1 . . . . 53 ASP CB . 26837 1 183 . 1 1 53 53 ASP N N 15 113.333 0.130 . 1 . . . . 53 ASP N . 26837 1 184 . 1 1 54 54 VAL H H 1 6.983 0.003 . 1 . . . . 54 VAL H . 26837 1 185 . 1 1 54 54 VAL CA C 13 62.339 0.260 . 1 . . . . 54 VAL CA . 26837 1 186 . 1 1 54 54 VAL CB C 13 31.785 0.260 . 1 . . . . 54 VAL CB . 26837 1 187 . 1 1 54 54 VAL N N 15 119.693 0.130 . 1 . . . . 54 VAL N . 26837 1 188 . 1 1 55 55 SER H H 1 7.925 0.003 . 1 . . . . 55 SER H . 26837 1 189 . 1 1 55 55 SER CA C 13 55.333 0.260 . 1 . . . . 55 SER CA . 26837 1 190 . 1 1 55 55 SER CB C 13 64.382 0.260 . 1 . . . . 55 SER CB . 26837 1 191 . 1 1 55 55 SER N N 15 123.713 0.130 . 1 . . . . 55 SER N . 26837 1 192 . 1 1 56 56 PRO CA C 13 61.572 0.260 . 1 . . . . 56 PRO CA . 26837 1 193 . 1 1 56 56 PRO CB C 13 31.552 0.260 . 1 . . . . 56 PRO CB . 26837 1 194 . 1 1 57 57 PHE H H 1 7.218 0.003 . 1 . . . . 57 PHE H . 26837 1 195 . 1 1 57 57 PHE CA C 13 55.328 0.260 . 1 . . . . 57 PHE CA . 26837 1 196 . 1 1 57 57 PHE CB C 13 38.727 0.260 . 1 . . . . 57 PHE CB . 26837 1 197 . 1 1 57 57 PHE N N 15 124.675 0.130 . 1 . . . . 57 PHE N . 26837 1 198 . 1 1 58 58 ASP H H 1 9.264 0.003 . 1 . . . . 58 ASP H . 26837 1 199 . 1 1 58 58 ASP CA C 13 58.556 0.260 . 1 . . . . 58 ASP CA . 26837 1 200 . 1 1 58 58 ASP CB C 13 40.079 0.260 . 1 . . . . 58 ASP CB . 26837 1 201 . 1 1 58 58 ASP N N 15 124.783 0.130 . 1 . . . . 58 ASP N . 26837 1 202 . 1 1 59 59 HIS H H 1 9.005 0.003 . 1 . . . . 59 HIS H . 26837 1 203 . 1 1 59 59 HIS CA C 13 58.924 0.260 . 1 . . . . 59 HIS CA . 26837 1 204 . 1 1 59 59 HIS CB C 13 29.556 0.260 . 1 . . . . 59 HIS CB . 26837 1 205 . 1 1 59 59 HIS N N 15 115.664 0.130 . 1 . . . . 59 HIS N . 26837 1 206 . 1 1 60 60 SER H H 1 6.333 0.003 . 1 . . . . 60 SER H . 26837 1 207 . 1 1 60 60 SER CA C 13 55.264 0.260 . 1 . . . . 60 SER CA . 26837 1 208 . 1 1 60 60 SER CB C 13 63.320 0.260 . 1 . . . . 60 SER CB . 26837 1 209 . 1 1 60 60 SER N N 15 108.499 0.130 . 1 . . . . 60 SER N . 26837 1 210 . 1 1 61 61 ARG H H 1 7.279 0.003 . 1 . . . . 61 ARG H . 26837 1 211 . 1 1 61 61 ARG CA C 13 55.287 0.260 . 1 . . . . 61 ARG CA . 26837 1 212 . 1 1 61 61 ARG CB C 13 27.863 0.260 . 1 . . . . 61 ARG CB . 26837 1 213 . 1 1 61 61 ARG N N 15 123.279 0.130 . 1 . . . . 61 ARG N . 26837 1 214 . 1 1 62 62 ILE H H 1 7.109 0.003 . 1 . . . . 62 ILE H . 26837 1 215 . 1 1 62 62 ILE CA C 13 56.987 0.260 . 1 . . . . 62 ILE CA . 26837 1 216 . 1 1 62 62 ILE CB C 13 35.285 0.260 . 1 . . . . 62 ILE CB . 26837 1 217 . 1 1 62 62 ILE N N 15 122.281 0.130 . 1 . . . . 62 ILE N . 26837 1 218 . 1 1 63 63 LYS H H 1 8.506 0.003 . 1 . . . . 63 LYS H . 26837 1 219 . 1 1 63 63 LYS CA C 13 54.804 0.260 . 1 . . . . 63 LYS CA . 26837 1 220 . 1 1 63 63 LYS CB C 13 32.093 0.260 . 1 . . . . 63 LYS CB . 26837 1 221 . 1 1 63 63 LYS N N 15 127.837 0.130 . 1 . . . . 63 LYS N . 26837 1 222 . 1 1 64 64 LEU H H 1 9.210 0.003 . 1 . . . . 64 LEU H . 26837 1 223 . 1 1 64 64 LEU CA C 13 53.835 0.260 . 1 . . . . 64 LEU CA . 26837 1 224 . 1 1 64 64 LEU CB C 13 41.397 0.260 . 1 . . . . 64 LEU CB . 26837 1 225 . 1 1 64 64 LEU N N 15 125.637 0.130 . 1 . . . . 64 LEU N . 26837 1 226 . 1 1 65 65 HIS H H 1 9.544 0.003 . 1 . . . . 65 HIS H . 26837 1 227 . 1 1 65 65 HIS CA C 13 53.831 0.260 . 1 . . . . 65 HIS CA . 26837 1 228 . 1 1 65 65 HIS CB C 13 26.533 0.260 . 1 . . . . 65 HIS CB . 26837 1 229 . 1 1 65 65 HIS N N 15 124.249 0.130 . 1 . . . . 65 HIS N . 26837 1 230 . 1 1 66 66 GLN H H 1 7.423 0.003 . 1 . . . . 66 GLN H . 26837 1 231 . 1 1 66 66 GLN CA C 13 54.215 0.260 . 1 . . . . 66 GLN CA . 26837 1 232 . 1 1 66 66 GLN CB C 13 30.750 0.260 . 1 . . . . 66 GLN CB . 26837 1 233 . 1 1 66 66 GLN N N 15 119.858 0.130 . 1 . . . . 66 GLN N . 26837 1 234 . 1 1 67 67 GLU H H 1 8.442 0.003 . 1 . . . . 67 GLU H . 26837 1 235 . 1 1 67 67 GLU CA C 13 57.922 0.260 . 1 . . . . 67 GLU CA . 26837 1 236 . 1 1 67 67 GLU CB C 13 29.557 0.260 . 1 . . . . 67 GLU CB . 26837 1 237 . 1 1 67 67 GLU N N 15 121.138 0.130 . 1 . . . . 67 GLU N . 26837 1 238 . 1 1 68 68 ASP H H 1 8.299 0.003 . 1 . . . . 68 ASP H . 26837 1 239 . 1 1 68 68 ASP CA C 13 56.293 0.260 . 1 . . . . 68 ASP CA . 26837 1 240 . 1 1 68 68 ASP CB C 13 40.591 0.260 . 1 . . . . 68 ASP CB . 26837 1 241 . 1 1 68 68 ASP N N 15 118.781 0.130 . 1 . . . . 68 ASP N . 26837 1 242 . 1 1 69 69 ASN H H 1 7.441 0.003 . 1 . . . . 69 ASN H . 26837 1 243 . 1 1 69 69 ASN CA C 13 53.083 0.260 . 1 . . . . 69 ASN CA . 26837 1 244 . 1 1 69 69 ASN CB C 13 37.413 0.260 . 1 . . . . 69 ASN CB . 26837 1 245 . 1 1 69 69 ASN N N 15 114.321 0.130 . 1 . . . . 69 ASN N . 26837 1 246 . 1 1 70 70 ASP H H 1 8.117 0.003 . 1 . . . . 70 ASP H . 26837 1 247 . 1 1 70 70 ASP CA C 13 52.958 0.260 . 1 . . . . 70 ASP CA . 26837 1 248 . 1 1 70 70 ASP CB C 13 41.260 0.260 . 1 . . . . 70 ASP CB . 26837 1 249 . 1 1 70 70 ASP N N 15 126.261 0.130 . 1 . . . . 70 ASP N . 26837 1 250 . 1 1 71 71 TYR H H 1 7.990 0.003 . 1 . . . . 71 TYR H . 26837 1 251 . 1 1 71 71 TYR CA C 13 60.557 0.260 . 1 . . . . 71 TYR CA . 26837 1 252 . 1 1 71 71 TYR CB C 13 38.390 0.260 . 1 . . . . 71 TYR CB . 26837 1 253 . 1 1 71 71 TYR N N 15 118.841 0.130 . 1 . . . . 71 TYR N . 26837 1 254 . 1 1 72 72 ILE H H 1 7.686 0.003 . 1 . . . . 72 ILE H . 26837 1 255 . 1 1 72 72 ILE CA C 13 58.577 0.260 . 1 . . . . 72 ILE CA . 26837 1 256 . 1 1 72 72 ILE CB C 13 41.336 0.260 . 1 . . . . 72 ILE CB . 26837 1 257 . 1 1 72 72 ILE N N 15 125.417 0.130 . 1 . . . . 72 ILE N . 26837 1 258 . 1 1 73 73 ASN H H 1 8.164 0.003 . 1 . . . . 73 ASN H . 26837 1 259 . 1 1 73 73 ASN CA C 13 52.133 0.260 . 1 . . . . 73 ASN CA . 26837 1 260 . 1 1 73 73 ASN CB C 13 35.401 0.260 . 1 . . . . 73 ASN CB . 26837 1 261 . 1 1 73 73 ASN N N 15 125.729 0.130 . 1 . . . . 73 ASN N . 26837 1 262 . 1 1 74 74 ALA H H 1 7.748 0.003 . 1 . . . . 74 ALA H . 26837 1 263 . 1 1 74 74 ALA CA C 13 51.549 0.260 . 1 . . . . 74 ALA CA . 26837 1 264 . 1 1 74 74 ALA CB C 13 22.389 0.260 . 1 . . . . 74 ALA CB . 26837 1 265 . 1 1 74 74 ALA N N 15 129.409 0.130 . 1 . . . . 74 ALA N . 26837 1 266 . 1 1 75 75 SER H H 1 8.934 0.003 . 1 . . . . 75 SER H . 26837 1 267 . 1 1 75 75 SER CA C 13 57.154 0.260 . 1 . . . . 75 SER CA . 26837 1 268 . 1 1 75 75 SER CB C 13 66.608 0.260 . 1 . . . . 75 SER CB . 26837 1 269 . 1 1 75 75 SER N N 15 116.919 0.130 . 1 . . . . 75 SER N . 26837 1 270 . 1 1 76 76 LEU H H 1 8.886 0.003 . 1 . . . . 76 LEU H . 26837 1 271 . 1 1 76 76 LEU CA C 13 53.911 0.260 . 1 . . . . 76 LEU CA . 26837 1 272 . 1 1 76 76 LEU CB C 13 41.498 0.260 . 1 . . . . 76 LEU CB . 26837 1 273 . 1 1 76 76 LEU N N 15 127.210 0.130 . 1 . . . . 76 LEU N . 26837 1 274 . 1 1 77 77 ILE H H 1 9.466 0.003 . 1 . . . . 77 ILE H . 26837 1 275 . 1 1 77 77 ILE CA C 13 60.166 0.260 . 1 . . . . 77 ILE CA . 26837 1 276 . 1 1 77 77 ILE CB C 13 36.956 0.260 . 1 . . . . 77 ILE CB . 26837 1 277 . 1 1 77 77 ILE N N 15 128.225 0.130 . 1 . . . . 77 ILE N . 26837 1 278 . 1 1 78 78 LYS CA C 13 54.593 0.260 . 1 . . . . 78 LYS CA . 26837 1 279 . 1 1 78 78 LYS CB C 13 32.872 0.260 . 1 . . . . 78 LYS CB . 26837 1 280 . 1 1 79 79 MET H H 1 8.258 0.003 . 1 . . . . 79 MET H . 26837 1 281 . 1 1 79 79 MET CA C 13 51.732 0.260 . 1 . . . . 79 MET CA . 26837 1 282 . 1 1 79 79 MET CB C 13 29.154 0.260 . 1 . . . . 79 MET CB . 26837 1 283 . 1 1 79 79 MET N N 15 124.199 0.130 . 1 . . . . 79 MET N . 26837 1 284 . 1 1 80 80 GLU H H 1 8.417 0.003 . 1 . . . . 80 GLU H . 26837 1 285 . 1 1 80 80 GLU CA C 13 59.862 0.260 . 1 . . . . 80 GLU CA . 26837 1 286 . 1 1 80 80 GLU CB C 13 29.043 0.260 . 1 . . . . 80 GLU CB . 26837 1 287 . 1 1 80 80 GLU N N 15 126.342 0.130 . 1 . . . . 80 GLU N . 26837 1 288 . 1 1 81 81 GLU H H 1 8.899 0.003 . 1 . . . . 81 GLU H . 26837 1 289 . 1 1 81 81 GLU CA C 13 58.856 0.260 . 1 . . . . 81 GLU CA . 26837 1 290 . 1 1 81 81 GLU CB C 13 28.197 0.260 . 1 . . . . 81 GLU CB . 26837 1 291 . 1 1 81 81 GLU N N 15 121.735 0.130 . 1 . . . . 81 GLU N . 26837 1 292 . 1 1 82 82 ALA H H 1 7.380 0.003 . 1 . . . . 82 ALA H . 26837 1 293 . 1 1 82 82 ALA CA C 13 52.043 0.260 . 1 . . . . 82 ALA CA . 26837 1 294 . 1 1 82 82 ALA CB C 13 18.313 0.260 . 1 . . . . 82 ALA CB . 26837 1 295 . 1 1 82 82 ALA N N 15 117.369 0.130 . 1 . . . . 82 ALA N . 26837 1 296 . 1 1 83 83 GLN H H 1 7.684 0.003 . 1 . . . . 83 GLN H . 26837 1 297 . 1 1 83 83 GLN CA C 13 55.824 0.260 . 1 . . . . 83 GLN CA . 26837 1 298 . 1 1 83 83 GLN CB C 13 25.696 0.260 . 1 . . . . 83 GLN CB . 26837 1 299 . 1 1 83 83 GLN N N 15 112.434 0.130 . 1 . . . . 83 GLN N . 26837 1 300 . 1 1 84 84 ARG H H 1 7.198 0.003 . 1 . . . . 84 ARG H . 26837 1 301 . 1 1 84 84 ARG CA C 13 53.648 0.260 . 1 . . . . 84 ARG CA . 26837 1 302 . 1 1 84 84 ARG CB C 13 35.090 0.260 . 1 . . . . 84 ARG CB . 26837 1 303 . 1 1 84 84 ARG N N 15 117.931 0.130 . 1 . . . . 84 ARG N . 26837 1 304 . 1 1 85 85 SER H H 1 7.729 0.003 . 1 . . . . 85 SER H . 26837 1 305 . 1 1 85 85 SER CA C 13 56.290 0.260 . 1 . . . . 85 SER CA . 26837 1 306 . 1 1 85 85 SER CB C 13 65.643 0.260 . 1 . . . . 85 SER CB . 26837 1 307 . 1 1 85 85 SER N N 15 118.628 0.130 . 1 . . . . 85 SER N . 26837 1 308 . 1 1 86 86 TYR H H 1 8.570 0.003 . 1 . . . . 86 TYR H . 26837 1 309 . 1 1 86 86 TYR CA C 13 54.799 0.260 . 1 . . . . 86 TYR CA . 26837 1 310 . 1 1 86 86 TYR CB C 13 42.848 0.260 . 1 . . . . 86 TYR CB . 26837 1 311 . 1 1 86 86 TYR N N 15 116.979 0.130 . 1 . . . . 86 TYR N . 26837 1 312 . 1 1 87 87 ILE H H 1 9.437 0.003 . 1 . . . . 87 ILE H . 26837 1 313 . 1 1 87 87 ILE CA C 13 59.850 0.260 . 1 . . . . 87 ILE CA . 26837 1 314 . 1 1 87 87 ILE N N 15 122.967 0.130 . 1 . . . . 87 ILE N . 26837 1 315 . 1 1 88 88 LEU H H 1 8.569 0.003 . 1 . . . . 88 LEU H . 26837 1 316 . 1 1 88 88 LEU CA C 13 53.386 0.260 . 1 . . . . 88 LEU CA . 26837 1 317 . 1 1 88 88 LEU CB C 13 43.107 0.260 . 1 . . . . 88 LEU CB . 26837 1 318 . 1 1 88 88 LEU N N 15 128.796 0.130 . 1 . . . . 88 LEU N . 26837 1 319 . 1 1 89 89 THR H H 1 8.436 0.003 . 1 . . . . 89 THR H . 26837 1 320 . 1 1 89 89 THR CA C 13 57.462 0.260 . 1 . . . . 89 THR CA . 26837 1 321 . 1 1 89 89 THR CB C 13 71.448 0.260 . 1 . . . . 89 THR CB . 26837 1 322 . 1 1 89 89 THR N N 15 115.902 0.130 . 1 . . . . 89 THR N . 26837 1 323 . 1 1 90 90 GLN H H 1 6.440 0.003 . 1 . . . . 90 GLN H . 26837 1 324 . 1 1 90 90 GLN CA C 13 52.347 0.260 . 1 . . . . 90 GLN CA . 26837 1 325 . 1 1 90 90 GLN CB C 13 27.673 0.260 . 1 . . . . 90 GLN CB . 26837 1 326 . 1 1 90 90 GLN N N 15 116.936 0.130 . 1 . . . . 90 GLN N . 26837 1 327 . 1 1 91 91 GLY H H 1 8.807 0.003 . 1 . . . . 91 GLY H . 26837 1 328 . 1 1 91 91 GLY CA C 13 44.654 0.260 . 1 . . . . 91 GLY CA . 26837 1 329 . 1 1 91 91 GLY N N 15 112.773 0.130 . 1 . . . . 91 GLY N . 26837 1 330 . 1 1 92 92 PRO CA C 13 63.715 0.260 . 1 . . . . 92 PRO CA . 26837 1 331 . 1 1 92 92 PRO CB C 13 31.503 0.260 . 1 . . . . 92 PRO CB . 26837 1 332 . 1 1 93 93 LEU H H 1 7.975 0.003 . 1 . . . . 93 LEU H . 26837 1 333 . 1 1 93 93 LEU CA C 13 53.098 0.260 . 1 . . . . 93 LEU CA . 26837 1 334 . 1 1 93 93 LEU CB C 13 41.355 0.260 . 1 . . . . 93 LEU CB . 26837 1 335 . 1 1 93 93 LEU N N 15 124.182 0.130 . 1 . . . . 93 LEU N . 26837 1 336 . 1 1 94 94 PRO CA C 13 65.886 0.260 . 1 . . . . 94 PRO CA . 26837 1 337 . 1 1 94 94 PRO CB C 13 30.653 0.260 . 1 . . . . 94 PRO CB . 26837 1 338 . 1 1 95 95 ASN H H 1 8.589 0.003 . 1 . . . . 95 ASN H . 26837 1 339 . 1 1 95 95 ASN CA C 13 53.551 0.260 . 1 . . . . 95 ASN CA . 26837 1 340 . 1 1 95 95 ASN CB C 13 36.576 0.260 . 1 . . . . 95 ASN CB . 26837 1 341 . 1 1 95 95 ASN N N 15 107.039 0.130 . 1 . . . . 95 ASN N . 26837 1 342 . 1 1 96 96 THR H H 1 8.085 0.003 . 1 . . . . 96 THR H . 26837 1 343 . 1 1 96 96 THR CA C 13 60.521 0.260 . 1 . . . . 96 THR CA . 26837 1 344 . 1 1 96 96 THR CB C 13 69.050 0.260 . 1 . . . . 96 THR CB . 26837 1 345 . 1 1 96 96 THR N N 15 111.916 0.130 . 1 . . . . 96 THR N . 26837 1 346 . 1 1 97 97 CYS H H 1 7.583 0.003 . 1 . . . . 97 CYS H . 26837 1 347 . 1 1 97 97 CYS CA C 13 63.653 0.260 . 1 . . . . 97 CYS CA . 26837 1 348 . 1 1 97 97 CYS CB C 13 27.793 0.260 . 1 . . . . 97 CYS CB . 26837 1 349 . 1 1 97 97 CYS N N 15 121.589 0.130 . 1 . . . . 97 CYS N . 26837 1 350 . 1 1 98 98 GLY H H 1 8.295 0.003 . 1 . . . . 98 GLY H . 26837 1 351 . 1 1 98 98 GLY CA C 13 47.285 0.260 . 1 . . . . 98 GLY CA . 26837 1 352 . 1 1 98 98 GLY N N 15 108.952 0.130 . 1 . . . . 98 GLY N . 26837 1 353 . 1 1 99 99 HIS H H 1 7.439 0.003 . 1 . . . . 99 HIS H . 26837 1 354 . 1 1 99 99 HIS CA C 13 56.665 0.260 . 1 . . . . 99 HIS CA . 26837 1 355 . 1 1 99 99 HIS CB C 13 31.986 0.260 . 1 . . . . 99 HIS CB . 26837 1 356 . 1 1 99 99 HIS N N 15 123.927 0.130 . 1 . . . . 99 HIS N . 26837 1 357 . 1 1 100 100 PHE H H 1 8.205 0.003 . 1 . . . . 100 PHE H . 26837 1 358 . 1 1 100 100 PHE CA C 13 61.598 0.260 . 1 . . . . 100 PHE CA . 26837 1 359 . 1 1 100 100 PHE CB C 13 37.591 0.260 . 1 . . . . 100 PHE CB . 26837 1 360 . 1 1 100 100 PHE N N 15 119.670 0.130 . 1 . . . . 100 PHE N . 26837 1 361 . 1 1 101 101 TRP HE1 H 1 10.979 0.003 . 1 . . . . 101 TRP HE1 . 26837 1 362 . 1 1 101 101 TRP NE1 N 15 128.854 0.130 . 1 . . . . 101 TRP NE1 . 26837 1 363 . 1 1 105 105 TRP HE1 H 1 10.416 0.003 . 1 . . . . 105 TRP HE1 . 26837 1 364 . 1 1 105 105 TRP NE1 N 15 129.947 0.130 . 1 . . . . 105 TRP NE1 . 26837 1 365 . 1 1 109 109 SER CA C 13 60.904 0.260 . 1 . . . . 109 SER CA . 26837 1 366 . 1 1 109 109 SER CB C 13 62.331 0.260 . 1 . . . . 109 SER CB . 26837 1 367 . 1 1 110 110 ARG H H 1 9.219 0.003 . 1 . . . . 110 ARG H . 26837 1 368 . 1 1 110 110 ARG CA C 13 54.893 0.260 . 1 . . . . 110 ARG CA . 26837 1 369 . 1 1 110 110 ARG CB C 13 31.174 0.260 . 1 . . . . 110 ARG CB . 26837 1 370 . 1 1 110 110 ARG N N 15 124.476 0.130 . 1 . . . . 110 ARG N . 26837 1 371 . 1 1 111 111 GLY H H 1 7.267 0.003 . 1 . . . . 111 GLY H . 26837 1 372 . 1 1 111 111 GLY CA C 13 43.479 0.260 . 1 . . . . 111 GLY CA . 26837 1 373 . 1 1 111 111 GLY N N 15 102.330 0.130 . 1 . . . . 111 GLY N . 26837 1 374 . 1 1 114 114 MET H H 1 7.644 0.003 . 1 . . . . 114 MET H . 26837 1 375 . 1 1 114 114 MET CA C 13 53.653 0.260 . 1 . . . . 114 MET CA . 26837 1 376 . 1 1 114 114 MET CB C 13 33.644 0.260 . 1 . . . . 114 MET CB . 26837 1 377 . 1 1 114 114 MET N N 15 116.602 0.130 . 1 . . . . 114 MET N . 26837 1 378 . 1 1 115 115 LEU H H 1 7.870 0.003 . 1 . . . . 115 LEU H . 26837 1 379 . 1 1 115 115 LEU CA C 13 53.830 0.260 . 1 . . . . 115 LEU CA . 26837 1 380 . 1 1 115 115 LEU CB C 13 42.278 0.260 . 1 . . . . 115 LEU CB . 26837 1 381 . 1 1 115 115 LEU N N 15 124.847 0.130 . 1 . . . . 115 LEU N . 26837 1 382 . 1 1 116 116 ASN H H 1 7.451 0.003 . 1 . . . . 116 ASN H . 26837 1 383 . 1 1 116 116 ASN CA C 13 51.379 0.260 . 1 . . . . 116 ASN CA . 26837 1 384 . 1 1 116 116 ASN CB C 13 40.963 0.260 . 1 . . . . 116 ASN CB . 26837 1 385 . 1 1 116 116 ASN N N 15 114.900 0.130 . 1 . . . . 116 ASN N . 26837 1 386 . 1 1 117 117 ARG H H 1 9.302 0.003 . 1 . . . . 117 ARG H . 26837 1 387 . 1 1 117 117 ARG CA C 13 55.565 0.260 . 1 . . . . 117 ARG CA . 26837 1 388 . 1 1 117 117 ARG CB C 13 30.969 0.260 . 1 . . . . 117 ARG CB . 26837 1 389 . 1 1 117 117 ARG N N 15 120.153 0.130 . 1 . . . . 117 ARG N . 26837 1 390 . 1 1 118 118 VAL H H 1 8.914 0.003 . 1 . . . . 118 VAL H . 26837 1 391 . 1 1 118 118 VAL CA C 13 66.411 0.260 . 1 . . . . 118 VAL CA . 26837 1 392 . 1 1 118 118 VAL CB C 13 31.050 0.260 . 1 . . . . 118 VAL CB . 26837 1 393 . 1 1 118 118 VAL N N 15 121.630 0.130 . 1 . . . . 118 VAL N . 26837 1 394 . 1 1 121 121 LYS CA C 13 56.110 0.260 . 1 . . . . 121 LYS CA . 26837 1 395 . 1 1 122 122 GLY H H 1 8.567 0.003 . 1 . . . . 122 GLY H . 26837 1 396 . 1 1 122 122 GLY CA C 13 45.365 0.260 . 1 . . . . 122 GLY CA . 26837 1 397 . 1 1 122 122 GLY N N 15 106.045 0.130 . 1 . . . . 122 GLY N . 26837 1 398 . 1 1 123 123 SER H H 1 7.910 0.003 . 1 . . . . 123 SER H . 26837 1 399 . 1 1 123 123 SER CA C 13 56.958 0.260 . 1 . . . . 123 SER CA . 26837 1 400 . 1 1 123 123 SER CB C 13 64.453 0.260 . 1 . . . . 123 SER CB . 26837 1 401 . 1 1 123 123 SER N N 15 116.438 0.130 . 1 . . . . 123 SER N . 26837 1 402 . 1 1 124 124 LEU H H 1 8.527 0.003 . 1 . . . . 124 LEU H . 26837 1 403 . 1 1 124 124 LEU CA C 13 55.412 0.260 . 1 . . . . 124 LEU CA . 26837 1 404 . 1 1 124 124 LEU N N 15 126.068 0.130 . 1 . . . . 124 LEU N . 26837 1 405 . 1 1 126 126 CYS CA C 13 57.275 0.260 . 1 . . . . 126 CYS CA . 26837 1 406 . 1 1 126 126 CYS CB C 13 28.554 0.260 . 1 . . . . 126 CYS CB . 26837 1 407 . 1 1 127 127 ALA H H 1 7.760 0.003 . 1 . . . . 127 ALA H . 26837 1 408 . 1 1 127 127 ALA CA C 13 51.242 0.260 . 1 . . . . 127 ALA CA . 26837 1 409 . 1 1 127 127 ALA CB C 13 18.108 0.260 . 1 . . . . 127 ALA CB . 26837 1 410 . 1 1 127 127 ALA N N 15 124.343 0.130 . 1 . . . . 127 ALA N . 26837 1 411 . 1 1 128 128 GLN H H 1 8.485 0.003 . 1 . . . . 128 GLN H . 26837 1 412 . 1 1 128 128 GLN CA C 13 55.143 0.260 . 1 . . . . 128 GLN CA . 26837 1 413 . 1 1 128 128 GLN CB C 13 25.698 0.260 . 1 . . . . 128 GLN CB . 26837 1 414 . 1 1 128 128 GLN N N 15 121.079 0.130 . 1 . . . . 128 GLN N . 26837 1 415 . 1 1 129 129 TYR H H 1 6.619 0.003 . 1 . . . . 129 TYR H . 26837 1 416 . 1 1 129 129 TYR CA C 13 55.872 0.260 . 1 . . . . 129 TYR CA . 26837 1 417 . 1 1 129 129 TYR CB C 13 37.289 0.260 . 1 . . . . 129 TYR CB . 26837 1 418 . 1 1 129 129 TYR N N 15 122.943 0.130 . 1 . . . . 129 TYR N . 26837 1 419 . 1 1 130 130 TRP H H 1 6.607 0.003 . 1 . . . . 130 TRP H . 26837 1 420 . 1 1 130 130 TRP HE1 H 1 9.516 0.003 . 1 . . . . 130 TRP HE1 . 26837 1 421 . 1 1 130 130 TRP CA C 13 55.043 0.260 . 1 . . . . 130 TRP CA . 26837 1 422 . 1 1 130 130 TRP CB C 13 29.750 0.260 . 1 . . . . 130 TRP CB . 26837 1 423 . 1 1 130 130 TRP N N 15 121.090 0.130 . 1 . . . . 130 TRP N . 26837 1 424 . 1 1 130 130 TRP NE1 N 15 129.577 0.130 . 1 . . . . 130 TRP NE1 . 26837 1 425 . 1 1 137 137 GLU CA C 13 53.823 0.260 . 1 . . . . 137 GLU CA . 26837 1 426 . 1 1 137 137 GLU CB C 13 32.599 0.260 . 1 . . . . 137 GLU CB . 26837 1 427 . 1 1 138 138 MET H H 1 8.875 0.003 . 1 . . . . 138 MET H . 26837 1 428 . 1 1 138 138 MET CA C 13 54.803 0.260 . 1 . . . . 138 MET CA . 26837 1 429 . 1 1 138 138 MET CB C 13 37.771 0.260 . 1 . . . . 138 MET CB . 26837 1 430 . 1 1 138 138 MET N N 15 121.582 0.130 . 1 . . . . 138 MET N . 26837 1 431 . 1 1 139 139 ILE H H 1 8.163 0.003 . 1 . . . . 139 ILE H . 26837 1 432 . 1 1 139 139 ILE CA C 13 59.545 0.260 . 1 . . . . 139 ILE CA . 26837 1 433 . 1 1 139 139 ILE CB C 13 39.188 0.260 . 1 . . . . 139 ILE CB . 26837 1 434 . 1 1 139 139 ILE N N 15 122.364 0.130 . 1 . . . . 139 ILE N . 26837 1 435 . 1 1 140 140 PHE H H 1 8.919 0.003 . 1 . . . . 140 PHE H . 26837 1 436 . 1 1 140 140 PHE CA C 13 56.069 0.260 . 1 . . . . 140 PHE CA . 26837 1 437 . 1 1 140 140 PHE CB C 13 37.088 0.260 . 1 . . . . 140 PHE CB . 26837 1 438 . 1 1 140 140 PHE N N 15 128.128 0.130 . 1 . . . . 140 PHE N . 26837 1 439 . 1 1 141 141 GLU H H 1 8.984 0.003 . 1 . . . . 141 GLU H . 26837 1 440 . 1 1 141 141 GLU CA C 13 58.643 0.260 . 1 . . . . 141 GLU CA . 26837 1 441 . 1 1 141 141 GLU CB C 13 29.113 0.260 . 1 . . . . 141 GLU CB . 26837 1 442 . 1 1 141 141 GLU N N 15 124.440 0.130 . 1 . . . . 141 GLU N . 26837 1 443 . 1 1 142 142 ASP H H 1 9.091 0.003 . 1 . . . . 142 ASP H . 26837 1 444 . 1 1 142 142 ASP CA C 13 55.414 0.260 . 1 . . . . 142 ASP CA . 26837 1 445 . 1 1 142 142 ASP CB C 13 37.952 0.260 . 1 . . . . 142 ASP CB . 26837 1 446 . 1 1 142 142 ASP N N 15 116.688 0.130 . 1 . . . . 142 ASP N . 26837 1 447 . 1 1 143 143 THR H H 1 7.475 0.003 . 1 . . . . 143 THR H . 26837 1 448 . 1 1 143 143 THR CA C 13 60.004 0.260 . 1 . . . . 143 THR CA . 26837 1 449 . 1 1 143 143 THR CB C 13 68.289 0.260 . 1 . . . . 143 THR CB . 26837 1 450 . 1 1 143 143 THR N N 15 108.346 0.130 . 1 . . . . 143 THR N . 26837 1 451 . 1 1 144 144 ASN H H 1 7.962 0.003 . 1 . . . . 144 ASN H . 26837 1 452 . 1 1 144 144 ASN CA C 13 53.583 0.260 . 1 . . . . 144 ASN CA . 26837 1 453 . 1 1 144 144 ASN CB C 13 37.258 0.260 . 1 . . . . 144 ASN CB . 26837 1 454 . 1 1 144 144 ASN N N 15 120.886 0.130 . 1 . . . . 144 ASN N . 26837 1 455 . 1 1 145 145 LEU H H 1 7.443 0.003 . 1 . . . . 145 LEU H . 26837 1 456 . 1 1 145 145 LEU CA C 13 53.090 0.260 . 1 . . . . 145 LEU CA . 26837 1 457 . 1 1 145 145 LEU CB C 13 45.594 0.260 . 1 . . . . 145 LEU CB . 26837 1 458 . 1 1 145 145 LEU N N 15 117.320 0.130 . 1 . . . . 145 LEU N . 26837 1 459 . 1 1 147 147 LEU H H 1 9.151 0.003 . 1 . . . . 147 LEU H . 26837 1 460 . 1 1 147 147 LEU CA C 13 52.855 0.260 . 1 . . . . 147 LEU CA . 26837 1 461 . 1 1 147 147 LEU CB C 13 47.153 0.260 . 1 . . . . 147 LEU CB . 26837 1 462 . 1 1 147 147 LEU N N 15 129.853 0.130 . 1 . . . . 147 LEU N . 26837 1 463 . 1 1 148 148 THR CA C 13 61.023 0.260 . 1 . . . . 148 THR CA . 26837 1 464 . 1 1 148 148 THR CB C 13 70.854 0.260 . 1 . . . . 148 THR CB . 26837 1 465 . 1 1 149 149 LEU H H 1 8.981 0.003 . 1 . . . . 149 LEU H . 26837 1 466 . 1 1 149 149 LEU CA C 13 54.998 0.260 . 1 . . . . 149 LEU CA . 26837 1 467 . 1 1 149 149 LEU CB C 13 41.870 0.260 . 1 . . . . 149 LEU CB . 26837 1 468 . 1 1 149 149 LEU N N 15 128.256 0.130 . 1 . . . . 149 LEU N . 26837 1 469 . 1 1 150 150 ILE H H 1 8.882 0.003 . 1 . . . . 150 ILE H . 26837 1 470 . 1 1 150 150 ILE CB C 13 36.172 0.260 . 1 . . . . 150 ILE CB . 26837 1 471 . 1 1 150 150 ILE N N 15 130.014 0.130 . 1 . . . . 150 ILE N . 26837 1 472 . 1 1 151 151 SER H H 1 7.807 0.003 . 1 . . . . 151 SER H . 26837 1 473 . 1 1 151 151 SER CA C 13 57.365 0.260 . 1 . . . . 151 SER CA . 26837 1 474 . 1 1 151 151 SER CB C 13 65.013 0.260 . 1 . . . . 151 SER CB . 26837 1 475 . 1 1 151 151 SER N N 15 111.223 0.130 . 1 . . . . 151 SER N . 26837 1 476 . 1 1 152 152 GLU H H 1 8.637 0.003 . 1 . . . . 152 GLU H . 26837 1 477 . 1 1 152 152 GLU CA C 13 55.550 0.260 . 1 . . . . 152 GLU CA . 26837 1 478 . 1 1 152 152 GLU CB C 13 33.573 0.260 . 1 . . . . 152 GLU CB . 26837 1 479 . 1 1 152 152 GLU N N 15 120.906 0.130 . 1 . . . . 152 GLU N . 26837 1 480 . 1 1 153 153 ASP H H 1 8.826 0.003 . 1 . . . . 153 ASP H . 26837 1 481 . 1 1 153 153 ASP CA C 13 52.880 0.260 . 1 . . . . 153 ASP CA . 26837 1 482 . 1 1 153 153 ASP CB C 13 41.436 0.260 . 1 . . . . 153 ASP CB . 26837 1 483 . 1 1 153 153 ASP N N 15 127.211 0.130 . 1 . . . . 153 ASP N . 26837 1 484 . 1 1 154 154 ILE H H 1 8.537 0.003 . 1 . . . . 154 ILE H . 26837 1 485 . 1 1 154 154 ILE CA C 13 61.837 0.260 . 1 . . . . 154 ILE CA . 26837 1 486 . 1 1 154 154 ILE CB C 13 37.741 0.260 . 1 . . . . 154 ILE CB . 26837 1 487 . 1 1 154 154 ILE N N 15 127.320 0.130 . 1 . . . . 154 ILE N . 26837 1 488 . 1 1 155 155 LYS H H 1 8.144 0.003 . 1 . . . . 155 LYS H . 26837 1 489 . 1 1 155 155 LYS CA C 13 53.558 0.260 . 1 . . . . 155 LYS CA . 26837 1 490 . 1 1 155 155 LYS CB C 13 32.487 0.260 . 1 . . . . 155 LYS CB . 26837 1 491 . 1 1 155 155 LYS N N 15 129.152 0.130 . 1 . . . . 155 LYS N . 26837 1 492 . 1 1 156 156 SER CA C 13 61.394 0.260 . 1 . . . . 156 SER CA . 26837 1 493 . 1 1 157 157 TYR H H 1 7.119 0.003 . 1 . . . . 157 TYR H . 26837 1 494 . 1 1 157 157 TYR CA C 13 55.063 0.260 . 1 . . . . 157 TYR CA . 26837 1 495 . 1 1 157 157 TYR CB C 13 38.327 0.260 . 1 . . . . 157 TYR CB . 26837 1 496 . 1 1 157 157 TYR N N 15 112.875 0.130 . 1 . . . . 157 TYR N . 26837 1 497 . 1 1 158 158 TYR H H 1 6.591 0.003 . 1 . . . . 158 TYR H . 26837 1 498 . 1 1 158 158 TYR CA C 13 55.508 0.260 . 1 . . . . 158 TYR CA . 26837 1 499 . 1 1 158 158 TYR CB C 13 40.344 0.260 . 1 . . . . 158 TYR CB . 26837 1 500 . 1 1 158 158 TYR N N 15 113.823 0.130 . 1 . . . . 158 TYR N . 26837 1 501 . 1 1 159 159 THR H H 1 9.444 0.003 . 1 . . . . 159 THR H . 26837 1 502 . 1 1 159 159 THR CA C 13 60.712 0.260 . 1 . . . . 159 THR CA . 26837 1 503 . 1 1 159 159 THR CB C 13 72.876 0.260 . 1 . . . . 159 THR CB . 26837 1 504 . 1 1 159 159 THR N N 15 117.778 0.130 . 1 . . . . 159 THR N . 26837 1 505 . 1 1 160 160 VAL H H 1 8.711 0.003 . 1 . . . . 160 VAL H . 26837 1 506 . 1 1 160 160 VAL CA C 13 59.511 0.260 . 1 . . . . 160 VAL CA . 26837 1 507 . 1 1 160 160 VAL CB C 13 33.462 0.260 . 1 . . . . 160 VAL CB . 26837 1 508 . 1 1 160 160 VAL N N 15 126.378 0.130 . 1 . . . . 160 VAL N . 26837 1 509 . 1 1 166 166 GLU CA C 13 53.148 0.260 . 1 . . . . 166 GLU CA . 26837 1 510 . 1 1 167 167 ASN H H 1 8.219 0.003 . 1 . . . . 167 ASN H . 26837 1 511 . 1 1 167 167 ASN CA C 13 51.695 0.260 . 1 . . . . 167 ASN CA . 26837 1 512 . 1 1 167 167 ASN CB C 13 37.360 0.260 . 1 . . . . 167 ASN CB . 26837 1 513 . 1 1 167 167 ASN N N 15 124.522 0.130 . 1 . . . . 167 ASN N . 26837 1 514 . 1 1 168 168 LEU H H 1 8.283 0.003 . 1 . . . . 168 LEU H . 26837 1 515 . 1 1 168 168 LEU CA C 13 56.496 0.260 . 1 . . . . 168 LEU CA . 26837 1 516 . 1 1 168 168 LEU CB C 13 40.156 0.260 . 1 . . . . 168 LEU CB . 26837 1 517 . 1 1 168 168 LEU N N 15 126.130 0.130 . 1 . . . . 168 LEU N . 26837 1 518 . 1 1 169 169 THR H H 1 8.242 0.003 . 1 . . . . 169 THR H . 26837 1 519 . 1 1 169 169 THR CA C 13 64.772 0.260 . 1 . . . . 169 THR CA . 26837 1 520 . 1 1 169 169 THR CB C 13 68.090 0.260 . 1 . . . . 169 THR CB . 26837 1 521 . 1 1 169 169 THR N N 15 115.202 0.130 . 1 . . . . 169 THR N . 26837 1 522 . 1 1 170 170 THR H H 1 7.057 0.003 . 1 . . . . 170 THR H . 26837 1 523 . 1 1 170 170 THR CA C 13 61.261 0.260 . 1 . . . . 170 THR CA . 26837 1 524 . 1 1 170 170 THR CB C 13 69.675 0.260 . 1 . . . . 170 THR CB . 26837 1 525 . 1 1 170 170 THR N N 15 109.593 0.130 . 1 . . . . 170 THR N . 26837 1 526 . 1 1 171 171 GLN H H 1 8.388 0.003 . 1 . . . . 171 GLN H . 26837 1 527 . 1 1 171 171 GLN CA C 13 57.441 0.260 . 1 . . . . 171 GLN CA . 26837 1 528 . 1 1 171 171 GLN CB C 13 25.453 0.260 . 1 . . . . 171 GLN CB . 26837 1 529 . 1 1 171 171 GLN N N 15 116.792 0.130 . 1 . . . . 171 GLN N . 26837 1 530 . 1 1 172 172 GLU H H 1 7.464 0.003 . 1 . . . . 172 GLU H . 26837 1 531 . 1 1 172 172 GLU CA C 13 55.835 0.260 . 1 . . . . 172 GLU CA . 26837 1 532 . 1 1 172 172 GLU CB C 13 32.833 0.260 . 1 . . . . 172 GLU CB . 26837 1 533 . 1 1 172 172 GLU N N 15 119.804 0.130 . 1 . . . . 172 GLU N . 26837 1 534 . 1 1 173 173 THR H H 1 8.458 0.003 . 1 . . . . 173 THR H . 26837 1 535 . 1 1 173 173 THR CA C 13 59.781 0.260 . 1 . . . . 173 THR CA . 26837 1 536 . 1 1 173 173 THR CB C 13 71.574 0.260 . 1 . . . . 173 THR CB . 26837 1 537 . 1 1 173 173 THR N N 15 113.659 0.130 . 1 . . . . 173 THR N . 26837 1 538 . 1 1 181 181 TYR CA C 13 58.195 0.260 . 1 . . . . 181 TYR CA . 26837 1 539 . 1 1 182 182 THR H H 1 7.468 0.003 . 1 . . . . 182 THR H . 26837 1 540 . 1 1 182 182 THR CA C 13 62.284 0.260 . 1 . . . . 182 THR CA . 26837 1 541 . 1 1 182 182 THR CB C 13 68.224 0.260 . 1 . . . . 182 THR CB . 26837 1 542 . 1 1 182 182 THR N N 15 115.662 0.130 . 1 . . . . 182 THR N . 26837 1 543 . 1 1 183 183 THR H H 1 5.947 0.003 . 1 . . . . 183 THR H . 26837 1 544 . 1 1 183 183 THR CA C 13 60.030 0.260 . 1 . . . . 183 THR CA . 26837 1 545 . 1 1 183 183 THR CB C 13 68.355 0.260 . 1 . . . . 183 THR CB . 26837 1 546 . 1 1 183 183 THR N N 15 107.476 0.130 . 1 . . . . 183 THR N . 26837 1 547 . 1 1 184 184 TRP H H 1 8.820 0.003 . 1 . . . . 184 TRP H . 26837 1 548 . 1 1 184 184 TRP HE1 H 1 9.755 0.003 . 1 . . . . 184 TRP HE1 . 26837 1 549 . 1 1 184 184 TRP CA C 13 56.591 0.260 . 1 . . . . 184 TRP CA . 26837 1 550 . 1 1 184 184 TRP CB C 13 27.161 0.260 . 1 . . . . 184 TRP CB . 26837 1 551 . 1 1 184 184 TRP N N 15 130.162 0.130 . 1 . . . . 184 TRP N . 26837 1 552 . 1 1 184 184 TRP NE1 N 15 131.327 0.130 . 1 . . . . 184 TRP NE1 . 26837 1 553 . 1 1 186 186 ASP CA C 13 56.356 0.260 . 1 . . . . 186 ASP CA . 26837 1 554 . 1 1 187 187 PHE H H 1 7.590 0.003 . 1 . . . . 187 PHE H . 26837 1 555 . 1 1 187 187 PHE CA C 13 56.141 0.260 . 1 . . . . 187 PHE CA . 26837 1 556 . 1 1 187 187 PHE CB C 13 40.614 0.260 . 1 . . . . 187 PHE CB . 26837 1 557 . 1 1 187 187 PHE N N 15 114.837 0.130 . 1 . . . . 187 PHE N . 26837 1 558 . 1 1 188 188 GLY H H 1 8.399 0.003 . 1 . . . . 188 GLY H . 26837 1 559 . 1 1 188 188 GLY CA C 13 44.763 0.260 . 1 . . . . 188 GLY CA . 26837 1 560 . 1 1 188 188 GLY N N 15 110.513 0.130 . 1 . . . . 188 GLY N . 26837 1 561 . 1 1 189 189 VAL H H 1 8.004 0.003 . 1 . . . . 189 VAL H . 26837 1 562 . 1 1 189 189 VAL CA C 13 57.093 0.260 . 1 . . . . 189 VAL CA . 26837 1 563 . 1 1 189 189 VAL CB C 13 30.166 0.260 . 1 . . . . 189 VAL CB . 26837 1 564 . 1 1 189 189 VAL N N 15 114.447 0.130 . 1 . . . . 189 VAL N . 26837 1 565 . 1 1 190 190 PRO CA C 13 62.154 0.260 . 1 . . . . 190 PRO CA . 26837 1 566 . 1 1 190 190 PRO CB C 13 30.432 0.260 . 1 . . . . 190 PRO CB . 26837 1 567 . 1 1 191 191 GLU H H 1 8.381 0.003 . 1 . . . . 191 GLU H . 26837 1 568 . 1 1 191 191 GLU CA C 13 58.094 0.260 . 1 . . . . 191 GLU CA . 26837 1 569 . 1 1 191 191 GLU CB C 13 29.186 0.260 . 1 . . . . 191 GLU CB . 26837 1 570 . 1 1 191 191 GLU N N 15 121.984 0.130 . 1 . . . . 191 GLU N . 26837 1 571 . 1 1 192 192 SER H H 1 7.762 0.003 . 1 . . . . 192 SER H . 26837 1 572 . 1 1 192 192 SER CA C 13 52.867 0.260 . 1 . . . . 192 SER CA . 26837 1 573 . 1 1 192 192 SER CB C 13 64.240 0.260 . 1 . . . . 192 SER CB . 26837 1 574 . 1 1 192 192 SER N N 15 111.387 0.130 . 1 . . . . 192 SER N . 26837 1 575 . 1 1 193 193 PRO CB C 13 32.144 0.260 . 1 . . . . 193 PRO CB . 26837 1 576 . 1 1 194 194 ALA H H 1 8.531 0.003 . 1 . . . . 194 ALA H . 26837 1 577 . 1 1 194 194 ALA CA C 13 52.715 0.260 . 1 . . . . 194 ALA CA . 26837 1 578 . 1 1 194 194 ALA CB C 13 18.495 0.260 . 1 . . . . 194 ALA CB . 26837 1 579 . 1 1 194 194 ALA N N 15 125.650 0.130 . 1 . . . . 194 ALA N . 26837 1 580 . 1 1 195 195 SER H H 1 8.184 0.003 . 1 . . . . 195 SER H . 26837 1 581 . 1 1 195 195 SER CA C 13 58.342 0.260 . 1 . . . . 195 SER CA . 26837 1 582 . 1 1 195 195 SER CB C 13 63.193 0.260 . 1 . . . . 195 SER CB . 26837 1 583 . 1 1 195 195 SER N N 15 114.345 0.130 . 1 . . . . 195 SER N . 26837 1 584 . 1 1 197 197 LEU CA C 13 56.203 0.260 . 1 . . . . 197 LEU CA . 26837 1 585 . 1 1 197 197 LEU CB C 13 40.872 0.260 . 1 . . . . 197 LEU CB . 26837 1 586 . 1 1 198 198 ALA H H 1 8.025 0.003 . 1 . . . . 198 ALA H . 26837 1 587 . 1 1 198 198 ALA CA C 13 55.040 0.260 . 1 . . . . 198 ALA CA . 26837 1 588 . 1 1 198 198 ALA CB C 13 16.727 0.260 . 1 . . . . 198 ALA CB . 26837 1 589 . 1 1 198 198 ALA N N 15 121.503 0.130 . 1 . . . . 198 ALA N . 26837 1 590 . 1 1 201 201 PHE H H 1 8.140 0.003 . 1 . . . . 201 PHE H . 26837 1 591 . 1 1 201 201 PHE N N 15 127.485 0.130 . 1 . . . . 201 PHE N . 26837 1 592 . 1 1 202 202 LYS H H 1 7.474 0.003 . 1 . . . . 202 LYS H . 26837 1 593 . 1 1 202 202 LYS CA C 13 57.076 0.260 . 1 . . . . 202 LYS CA . 26837 1 594 . 1 1 202 202 LYS CB C 13 27.594 0.260 . 1 . . . . 202 LYS CB . 26837 1 595 . 1 1 202 202 LYS N N 15 113.147 0.130 . 1 . . . . 202 LYS N . 26837 1 596 . 1 1 203 203 VAL H H 1 7.830 0.003 . 1 . . . . 203 VAL H . 26837 1 597 . 1 1 203 203 VAL CA C 13 65.802 0.260 . 1 . . . . 203 VAL CA . 26837 1 598 . 1 1 203 203 VAL N N 15 121.498 0.130 . 1 . . . . 203 VAL N . 26837 1 599 . 1 1 204 204 ARG H H 1 8.439 0.003 . 1 . . . . 204 ARG H . 26837 1 600 . 1 1 204 204 ARG CA C 13 59.950 0.260 . 1 . . . . 204 ARG CA . 26837 1 601 . 1 1 204 204 ARG CB C 13 30.486 0.260 . 1 . . . . 204 ARG CB . 26837 1 602 . 1 1 204 204 ARG N N 15 120.695 0.130 . 1 . . . . 204 ARG N . 26837 1 603 . 1 1 205 205 GLU H H 1 8.448 0.003 . 1 . . . . 205 GLU H . 26837 1 604 . 1 1 205 205 GLU CA C 13 59.253 0.260 . 1 . . . . 205 GLU CA . 26837 1 605 . 1 1 205 205 GLU CB C 13 29.913 0.260 . 1 . . . . 205 GLU CB . 26837 1 606 . 1 1 205 205 GLU N N 15 120.672 0.130 . 1 . . . . 205 GLU N . 26837 1 607 . 1 1 206 206 SER H H 1 7.419 0.003 . 1 . . . . 206 SER H . 26837 1 608 . 1 1 206 206 SER CA C 13 59.950 0.260 . 1 . . . . 206 SER CA . 26837 1 609 . 1 1 206 206 SER CB C 13 65.598 0.260 . 1 . . . . 206 SER CB . 26837 1 610 . 1 1 206 206 SER N N 15 112.479 0.130 . 1 . . . . 206 SER N . 26837 1 611 . 1 1 207 207 GLY H H 1 7.659 0.003 . 1 . . . . 207 GLY H . 26837 1 612 . 1 1 207 207 GLY CA C 13 45.684 0.260 . 1 . . . . 207 GLY CA . 26837 1 613 . 1 1 207 207 GLY N N 15 110.382 0.130 . 1 . . . . 207 GLY N . 26837 1 614 . 1 1 208 208 SER H H 1 7.867 0.003 . 1 . . . . 208 SER H . 26837 1 615 . 1 1 208 208 SER CA C 13 62.349 0.260 . 1 . . . . 208 SER CA . 26837 1 616 . 1 1 208 208 SER CB C 13 63.526 0.260 . 1 . . . . 208 SER CB . 26837 1 617 . 1 1 208 208 SER N N 15 114.246 0.130 . 1 . . . . 208 SER N . 26837 1 618 . 1 1 209 209 LEU H H 1 8.243 0.003 . 1 . . . . 209 LEU H . 26837 1 619 . 1 1 209 209 LEU CA C 13 53.754 0.260 . 1 . . . . 209 LEU CA . 26837 1 620 . 1 1 209 209 LEU CB C 13 39.744 0.260 . 1 . . . . 209 LEU CB . 26837 1 621 . 1 1 209 209 LEU N N 15 116.418 0.130 . 1 . . . . 209 LEU N . 26837 1 622 . 1 1 210 210 SER H H 1 7.380 0.003 . 1 . . . . 210 SER H . 26837 1 623 . 1 1 210 210 SER CA C 13 56.560 0.260 . 1 . . . . 210 SER CA . 26837 1 624 . 1 1 210 210 SER CB C 13 63.131 0.260 . 1 . . . . 210 SER CB . 26837 1 625 . 1 1 210 210 SER N N 15 116.544 0.130 . 1 . . . . 210 SER N . 26837 1 626 . 1 1 211 211 PRO CA C 13 63.974 0.260 . 1 . . . . 211 PRO CA . 26837 1 627 . 1 1 211 211 PRO CB C 13 30.951 0.260 . 1 . . . . 211 PRO CB . 26837 1 628 . 1 1 212 212 GLU H H 1 8.165 0.003 . 1 . . . . 212 GLU H . 26837 1 629 . 1 1 212 212 GLU CA C 13 57.157 0.260 . 1 . . . . 212 GLU CA . 26837 1 630 . 1 1 212 212 GLU CB C 13 28.272 0.260 . 1 . . . . 212 GLU CB . 26837 1 631 . 1 1 212 212 GLU N N 15 117.982 0.130 . 1 . . . . 212 GLU N . 26837 1 632 . 1 1 213 213 HIS H H 1 7.470 0.003 . 1 . . . . 213 HIS H . 26837 1 633 . 1 1 213 213 HIS CA C 13 53.793 0.260 . 1 . . . . 213 HIS CA . 26837 1 634 . 1 1 213 213 HIS CB C 13 33.387 0.260 . 1 . . . . 213 HIS CB . 26837 1 635 . 1 1 213 213 HIS N N 15 119.045 0.130 . 1 . . . . 213 HIS N . 26837 1 636 . 1 1 214 214 GLY H H 1 7.286 0.003 . 1 . . . . 214 GLY H . 26837 1 637 . 1 1 214 214 GLY CA C 13 44.020 0.260 . 1 . . . . 214 GLY CA . 26837 1 638 . 1 1 214 214 GLY N N 15 104.800 0.130 . 1 . . . . 214 GLY N . 26837 1 639 . 1 1 216 216 VAL H H 1 8.999 0.003 . 1 . . . . 216 VAL H . 26837 1 640 . 1 1 216 216 VAL CA C 13 61.574 0.260 . 1 . . . . 216 VAL CA . 26837 1 641 . 1 1 216 216 VAL CB C 13 30.876 0.260 . 1 . . . . 216 VAL CB . 26837 1 642 . 1 1 216 216 VAL N N 15 125.825 0.130 . 1 . . . . 216 VAL N . 26837 1 643 . 1 1 217 217 VAL H H 1 7.699 0.003 . 1 . . . . 217 VAL H . 26837 1 644 . 1 1 217 217 VAL CA C 13 60.947 0.260 . 1 . . . . 217 VAL CA . 26837 1 645 . 1 1 217 217 VAL N N 15 126.313 0.130 . 1 . . . . 217 VAL N . 26837 1 646 . 1 1 219 219 HIS H H 1 9.191 0.003 . 1 . . . . 219 HIS H . 26837 1 647 . 1 1 219 219 HIS CB C 13 34.599 0.260 . 1 . . . . 219 HIS CB . 26837 1 648 . 1 1 219 219 HIS N N 15 121.761 0.130 . 1 . . . . 219 HIS N . 26837 1 649 . 1 1 220 220 CYS H H 1 6.084 0.003 . 1 . . . . 220 CYS H . 26837 1 650 . 1 1 220 220 CYS CA C 13 56.471 0.260 . 1 . . . . 220 CYS CA . 26837 1 651 . 1 1 220 220 CYS CB C 13 28.356 0.260 . 1 . . . . 220 CYS CB . 26837 1 652 . 1 1 220 220 CYS N N 15 120.596 0.130 . 1 . . . . 220 CYS N . 26837 1 653 . 1 1 223 223 GLY H H 1 8.800 0.003 . 1 . . . . 223 GLY H . 26837 1 654 . 1 1 223 223 GLY CA C 13 47.335 0.260 . 1 . . . . 223 GLY CA . 26837 1 655 . 1 1 223 223 GLY N N 15 112.258 0.130 . 1 . . . . 223 GLY N . 26837 1 656 . 1 1 224 224 ILE H H 1 7.279 0.003 . 1 . . . . 224 ILE H . 26837 1 657 . 1 1 224 224 ILE CA C 13 61.165 0.260 . 1 . . . . 224 ILE CA . 26837 1 658 . 1 1 224 224 ILE CB C 13 39.637 0.260 . 1 . . . . 224 ILE CB . 26837 1 659 . 1 1 224 224 ILE N N 15 108.077 0.130 . 1 . . . . 224 ILE N . 26837 1 660 . 1 1 226 226 ARG H H 1 8.574 0.003 . 1 . . . . 226 ARG H . 26837 1 661 . 1 1 226 226 ARG CA C 13 59.855 0.260 . 1 . . . . 226 ARG CA . 26837 1 662 . 1 1 226 226 ARG CB C 13 29.434 0.260 . 1 . . . . 226 ARG CB . 26837 1 663 . 1 1 226 226 ARG N N 15 130.725 0.130 . 1 . . . . 226 ARG N . 26837 1 664 . 1 1 227 227 SER CA C 13 62.701 0.260 . 1 . . . . 227 SER CA . 26837 1 665 . 1 1 228 228 GLY H H 1 6.403 0.003 . 1 . . . . 228 GLY H . 26837 1 666 . 1 1 228 228 GLY CA C 13 46.884 0.260 . 1 . . . . 228 GLY CA . 26837 1 667 . 1 1 228 228 GLY N N 15 106.625 0.130 . 1 . . . . 228 GLY N . 26837 1 668 . 1 1 229 229 THR H H 1 7.769 0.003 . 1 . . . . 229 THR H . 26837 1 669 . 1 1 229 229 THR CA C 13 66.659 0.260 . 1 . . . . 229 THR CA . 26837 1 670 . 1 1 229 229 THR CB C 13 68.176 0.260 . 1 . . . . 229 THR CB . 26837 1 671 . 1 1 229 229 THR N N 15 117.422 0.130 . 1 . . . . 229 THR N . 26837 1 672 . 1 1 230 230 PHE H H 1 7.580 0.003 . 1 . . . . 230 PHE H . 26837 1 673 . 1 1 230 230 PHE CA C 13 62.096 0.260 . 1 . . . . 230 PHE CA . 26837 1 674 . 1 1 230 230 PHE CB C 13 39.643 0.260 . 1 . . . . 230 PHE CB . 26837 1 675 . 1 1 230 230 PHE N N 15 120.500 0.130 . 1 . . . . 230 PHE N . 26837 1 676 . 1 1 231 231 CYS H H 1 7.424 0.003 . 1 . . . . 231 CYS H . 26837 1 677 . 1 1 231 231 CYS CA C 13 62.011 0.260 . 1 . . . . 231 CYS CA . 26837 1 678 . 1 1 231 231 CYS CB C 13 26.022 0.260 . 1 . . . . 231 CYS CB . 26837 1 679 . 1 1 231 231 CYS N N 15 115.667 0.130 . 1 . . . . 231 CYS N . 26837 1 680 . 1 1 232 232 LEU H H 1 8.529 0.003 . 1 . . . . 232 LEU H . 26837 1 681 . 1 1 232 232 LEU CA C 13 57.999 0.260 . 1 . . . . 232 LEU CA . 26837 1 682 . 1 1 232 232 LEU CB C 13 42.164 0.260 . 1 . . . . 232 LEU CB . 26837 1 683 . 1 1 232 232 LEU N N 15 121.728 0.130 . 1 . . . . 232 LEU N . 26837 1 684 . 1 1 233 233 ALA H H 1 8.140 0.003 . 1 . . . . 233 ALA H . 26837 1 685 . 1 1 233 233 ALA CA C 13 55.488 0.260 . 1 . . . . 233 ALA CA . 26837 1 686 . 1 1 233 233 ALA CB C 13 16.112 0.260 . 1 . . . . 233 ALA CB . 26837 1 687 . 1 1 233 233 ALA N N 15 119.966 0.130 . 1 . . . . 233 ALA N . 26837 1 688 . 1 1 234 234 ASP H H 1 7.545 0.003 . 1 . . . . 234 ASP H . 26837 1 689 . 1 1 234 234 ASP CA C 13 58.055 0.260 . 1 . . . . 234 ASP CA . 26837 1 690 . 1 1 234 234 ASP CB C 13 40.798 0.260 . 1 . . . . 234 ASP CB . 26837 1 691 . 1 1 234 234 ASP N N 15 114.090 0.130 . 1 . . . . 234 ASP N . 26837 1 692 . 1 1 235 235 THR H H 1 8.522 0.003 . 1 . . . . 235 THR H . 26837 1 693 . 1 1 235 235 THR CA C 13 68.737 0.260 . 1 . . . . 235 THR CA . 26837 1 694 . 1 1 235 235 THR CB C 13 67.354 0.260 . 1 . . . . 235 THR CB . 26837 1 695 . 1 1 235 235 THR N N 15 114.946 0.130 . 1 . . . . 235 THR N . 26837 1 696 . 1 1 236 236 CYS H H 1 8.377 0.003 . 1 . . . . 236 CYS H . 26837 1 697 . 1 1 236 236 CYS CA C 13 65.405 0.260 . 1 . . . . 236 CYS CA . 26837 1 698 . 1 1 236 236 CYS CB C 13 27.137 0.260 . 1 . . . . 236 CYS CB . 26837 1 699 . 1 1 236 236 CYS N N 15 117.785 0.130 . 1 . . . . 236 CYS N . 26837 1 700 . 1 1 237 237 LEU H H 1 7.904 0.003 . 1 . . . . 237 LEU H . 26837 1 701 . 1 1 237 237 LEU CB C 13 41.837 0.260 . 1 . . . . 237 LEU CB . 26837 1 702 . 1 1 237 237 LEU N N 15 117.617 0.130 . 1 . . . . 237 LEU N . 26837 1 703 . 1 1 239 239 LEU H H 1 7.866 0.003 . 1 . . . . 239 LEU H . 26837 1 704 . 1 1 239 239 LEU CA C 13 57.455 0.260 . 1 . . . . 239 LEU CA . 26837 1 705 . 1 1 239 239 LEU CB C 13 41.286 0.260 . 1 . . . . 239 LEU CB . 26837 1 706 . 1 1 239 239 LEU N N 15 122.150 0.130 . 1 . . . . 239 LEU N . 26837 1 707 . 1 1 240 240 MET H H 1 7.903 0.003 . 1 . . . . 240 MET H . 26837 1 708 . 1 1 240 240 MET CA C 13 59.116 0.260 . 1 . . . . 240 MET CA . 26837 1 709 . 1 1 240 240 MET CB C 13 32.294 0.260 . 1 . . . . 240 MET CB . 26837 1 710 . 1 1 240 240 MET N N 15 117.413 0.130 . 1 . . . . 240 MET N . 26837 1 711 . 1 1 241 241 ASP H H 1 7.173 0.003 . 1 . . . . 241 ASP H . 26837 1 712 . 1 1 241 241 ASP CA C 13 55.706 0.260 . 1 . . . . 241 ASP CA . 26837 1 713 . 1 1 241 241 ASP CB C 13 41.987 0.260 . 1 . . . . 241 ASP CB . 26837 1 714 . 1 1 241 241 ASP N N 15 117.058 0.130 . 1 . . . . 241 ASP N . 26837 1 715 . 1 1 242 242 LYS H H 1 8.004 0.003 . 1 . . . . 242 LYS H . 26837 1 716 . 1 1 242 242 LYS CA C 13 57.378 0.260 . 1 . . . . 242 LYS CA . 26837 1 717 . 1 1 242 242 LYS CB C 13 32.590 0.260 . 1 . . . . 242 LYS CB . 26837 1 718 . 1 1 242 242 LYS N N 15 117.947 0.130 . 1 . . . . 242 LYS N . 26837 1 719 . 1 1 243 243 ARG H H 1 7.996 0.003 . 1 . . . . 243 ARG H . 26837 1 720 . 1 1 243 243 ARG CA C 13 57.528 0.260 . 1 . . . . 243 ARG CA . 26837 1 721 . 1 1 243 243 ARG CB C 13 32.573 0.260 . 1 . . . . 243 ARG CB . 26837 1 722 . 1 1 243 243 ARG N N 15 117.221 0.130 . 1 . . . . 243 ARG N . 26837 1 723 . 1 1 244 244 LYS H H 1 7.960 0.003 . 1 . . . . 244 LYS H . 26837 1 724 . 1 1 244 244 LYS CA C 13 57.393 0.260 . 1 . . . . 244 LYS CA . 26837 1 725 . 1 1 244 244 LYS CB C 13 30.297 0.260 . 1 . . . . 244 LYS CB . 26837 1 726 . 1 1 244 244 LYS N N 15 118.330 0.130 . 1 . . . . 244 LYS N . 26837 1 727 . 1 1 246 246 PRO CA C 13 64.450 0.260 . 1 . . . . 246 PRO CA . 26837 1 728 . 1 1 246 246 PRO CB C 13 31.695 0.260 . 1 . . . . 246 PRO CB . 26837 1 729 . 1 1 247 247 SER H H 1 8.110 0.003 . 1 . . . . 247 SER H . 26837 1 730 . 1 1 247 247 SER CA C 13 59.939 0.260 . 1 . . . . 247 SER CA . 26837 1 731 . 1 1 247 247 SER CB C 13 62.732 0.260 . 1 . . . . 247 SER CB . 26837 1 732 . 1 1 247 247 SER N N 15 113.099 0.130 . 1 . . . . 247 SER N . 26837 1 733 . 1 1 248 248 SER H H 1 7.671 0.003 . 1 . . . . 248 SER H . 26837 1 734 . 1 1 248 248 SER CA C 13 58.735 0.260 . 1 . . . . 248 SER CA . 26837 1 735 . 1 1 248 248 SER CB C 13 63.916 0.260 . 1 . . . . 248 SER CB . 26837 1 736 . 1 1 248 248 SER N N 15 115.529 0.130 . 1 . . . . 248 SER N . 26837 1 737 . 1 1 249 249 VAL H H 1 7.209 0.003 . 1 . . . . 249 VAL H . 26837 1 738 . 1 1 249 249 VAL CA C 13 62.945 0.260 . 1 . . . . 249 VAL CA . 26837 1 739 . 1 1 249 249 VAL CB C 13 31.188 0.260 . 1 . . . . 249 VAL CB . 26837 1 740 . 1 1 249 249 VAL N N 15 123.718 0.130 . 1 . . . . 249 VAL N . 26837 1 741 . 1 1 250 250 ASP H H 1 8.425 0.003 . 1 . . . . 250 ASP H . 26837 1 742 . 1 1 250 250 ASP CA C 13 51.437 0.260 . 1 . . . . 250 ASP CA . 26837 1 743 . 1 1 250 250 ASP CB C 13 41.402 0.260 . 1 . . . . 250 ASP CB . 26837 1 744 . 1 1 250 250 ASP N N 15 129.586 0.130 . 1 . . . . 250 ASP N . 26837 1 745 . 1 1 251 251 ILE H H 1 8.443 0.003 . 1 . . . . 251 ILE H . 26837 1 746 . 1 1 251 251 ILE CA C 13 64.990 0.260 . 1 . . . . 251 ILE CA . 26837 1 747 . 1 1 251 251 ILE CB C 13 37.341 0.260 . 1 . . . . 251 ILE CB . 26837 1 748 . 1 1 251 251 ILE N N 15 126.660 0.130 . 1 . . . . 251 ILE N . 26837 1 749 . 1 1 252 252 LYS H H 1 7.854 0.003 . 1 . . . . 252 LYS H . 26837 1 750 . 1 1 252 252 LYS CA C 13 60.060 0.260 . 1 . . . . 252 LYS CA . 26837 1 751 . 1 1 252 252 LYS CB C 13 30.186 0.260 . 1 . . . . 252 LYS CB . 26837 1 752 . 1 1 252 252 LYS N N 15 118.430 0.130 . 1 . . . . 252 LYS N . 26837 1 753 . 1 1 253 253 LYS H H 1 7.149 0.003 . 1 . . . . 253 LYS H . 26837 1 754 . 1 1 253 253 LYS CA C 13 59.051 0.260 . 1 . . . . 253 LYS CA . 26837 1 755 . 1 1 253 253 LYS CB C 13 31.780 0.260 . 1 . . . . 253 LYS CB . 26837 1 756 . 1 1 253 253 LYS N N 15 117.643 0.130 . 1 . . . . 253 LYS N . 26837 1 757 . 1 1 254 254 VAL H H 1 8.061 0.003 . 1 . . . . 254 VAL H . 26837 1 758 . 1 1 254 254 VAL CA C 13 66.061 0.260 . 1 . . . . 254 VAL CA . 26837 1 759 . 1 1 254 254 VAL CB C 13 30.527 0.260 . 1 . . . . 254 VAL CB . 26837 1 760 . 1 1 254 254 VAL N N 15 121.906 0.130 . 1 . . . . 254 VAL N . 26837 1 761 . 1 1 256 256 LEU H H 1 8.203 0.003 . 1 . . . . 256 LEU H . 26837 1 762 . 1 1 256 256 LEU CA C 13 61.615 0.260 . 1 . . . . 256 LEU CA . 26837 1 763 . 1 1 256 256 LEU CB C 13 40.716 0.260 . 1 . . . . 256 LEU CB . 26837 1 764 . 1 1 256 256 LEU N N 15 119.057 0.130 . 1 . . . . 256 LEU N . 26837 1 765 . 1 1 258 258 MET CA C 13 60.414 0.260 . 1 . . . . 258 MET CA . 26837 1 766 . 1 1 259 259 ARG H H 1 8.566 0.003 . 1 . . . . 259 ARG H . 26837 1 767 . 1 1 259 259 ARG CA C 13 57.743 0.260 . 1 . . . . 259 ARG CA . 26837 1 768 . 1 1 259 259 ARG CB C 13 29.796 0.260 . 1 . . . . 259 ARG CB . 26837 1 769 . 1 1 259 259 ARG N N 15 118.060 0.130 . 1 . . . . 259 ARG N . 26837 1 770 . 1 1 260 260 LYS H H 1 7.635 0.003 . 1 . . . . 260 LYS H . 26837 1 771 . 1 1 260 260 LYS CA C 13 58.588 0.260 . 1 . . . . 260 LYS CA . 26837 1 772 . 1 1 260 260 LYS CB C 13 31.041 0.260 . 1 . . . . 260 LYS CB . 26837 1 773 . 1 1 260 260 LYS N N 15 119.260 0.130 . 1 . . . . 260 LYS N . 26837 1 774 . 1 1 261 261 PHE H H 1 8.170 0.003 . 1 . . . . 261 PHE H . 26837 1 775 . 1 1 261 261 PHE CA C 13 59.090 0.260 . 1 . . . . 261 PHE CA . 26837 1 776 . 1 1 261 261 PHE CB C 13 40.777 0.260 . 1 . . . . 261 PHE CB . 26837 1 777 . 1 1 261 261 PHE N N 15 112.916 0.130 . 1 . . . . 261 PHE N . 26837 1 778 . 1 1 262 262 ARG H H 1 7.479 0.003 . 1 . . . . 262 ARG H . 26837 1 779 . 1 1 262 262 ARG CA C 13 56.183 0.260 . 1 . . . . 262 ARG CA . 26837 1 780 . 1 1 262 262 ARG CB C 13 31.779 0.260 . 1 . . . . 262 ARG CB . 26837 1 781 . 1 1 262 262 ARG N N 15 120.911 0.130 . 1 . . . . 262 ARG N . 26837 1 782 . 1 1 263 263 MET H H 1 8.396 0.003 . 1 . . . . 263 MET H . 26837 1 783 . 1 1 263 263 MET CA C 13 55.095 0.260 . 1 . . . . 263 MET CA . 26837 1 784 . 1 1 263 263 MET CB C 13 31.813 0.260 . 1 . . . . 263 MET CB . 26837 1 785 . 1 1 263 263 MET N N 15 122.651 0.130 . 1 . . . . 263 MET N . 26837 1 786 . 1 1 264 264 GLY H H 1 8.805 0.003 . 1 . . . . 264 GLY H . 26837 1 787 . 1 1 264 264 GLY CA C 13 46.242 0.260 . 1 . . . . 264 GLY CA . 26837 1 788 . 1 1 264 264 GLY N N 15 102.016 0.130 . 1 . . . . 264 GLY N . 26837 1 789 . 1 1 265 265 LEU H H 1 6.377 0.003 . 1 . . . . 265 LEU H . 26837 1 790 . 1 1 265 265 LEU CA C 13 55.304 0.260 . 1 . . . . 265 LEU CA . 26837 1 791 . 1 1 265 265 LEU N N 15 115.226 0.130 . 1 . . . . 265 LEU N . 26837 1 792 . 1 1 266 266 ILE H H 1 8.375 0.003 . 1 . . . . 266 ILE H . 26837 1 793 . 1 1 266 266 ILE CA C 13 64.142 0.260 . 1 . . . . 266 ILE CA . 26837 1 794 . 1 1 266 266 ILE CB C 13 41.012 0.260 . 1 . . . . 266 ILE CB . 26837 1 795 . 1 1 266 266 ILE N N 15 115.896 0.130 . 1 . . . . 266 ILE N . 26837 1 796 . 1 1 267 267 GLN H H 1 8.755 0.003 . 1 . . . . 267 GLN H . 26837 1 797 . 1 1 267 267 GLN CA C 13 57.196 0.260 . 1 . . . . 267 GLN CA . 26837 1 798 . 1 1 267 267 GLN CB C 13 32.138 0.260 . 1 . . . . 267 GLN CB . 26837 1 799 . 1 1 267 267 GLN N N 15 126.718 0.130 . 1 . . . . 267 GLN N . 26837 1 800 . 1 1 268 268 THR H H 1 6.674 0.003 . 1 . . . . 268 THR H . 26837 1 801 . 1 1 268 268 THR CA C 13 57.522 0.260 . 1 . . . . 268 THR CA . 26837 1 802 . 1 1 268 268 THR CB C 13 72.946 0.260 . 1 . . . . 268 THR CB . 26837 1 803 . 1 1 268 268 THR N N 15 105.259 0.130 . 1 . . . . 268 THR N . 26837 1 804 . 1 1 269 269 ALA H H 1 8.618 0.003 . 1 . . . . 269 ALA H . 26837 1 805 . 1 1 269 269 ALA CA C 13 54.118 0.260 . 1 . . . . 269 ALA CA . 26837 1 806 . 1 1 269 269 ALA CB C 13 16.846 0.260 . 1 . . . . 269 ALA CB . 26837 1 807 . 1 1 269 269 ALA N N 15 123.754 0.130 . 1 . . . . 269 ALA N . 26837 1 808 . 1 1 270 270 ASP H H 1 7.852 0.003 . 1 . . . . 270 ASP H . 26837 1 809 . 1 1 270 270 ASP CA C 13 56.382 0.260 . 1 . . . . 270 ASP CA . 26837 1 810 . 1 1 270 270 ASP CB C 13 39.356 0.260 . 1 . . . . 270 ASP CB . 26837 1 811 . 1 1 270 270 ASP N N 15 116.350 0.130 . 1 . . . . 270 ASP N . 26837 1 812 . 1 1 271 271 GLN H H 1 7.807 0.003 . 1 . . . . 271 GLN H . 26837 1 813 . 1 1 271 271 GLN CA C 13 58.555 0.260 . 1 . . . . 271 GLN CA . 26837 1 814 . 1 1 271 271 GLN CB C 13 27.996 0.260 . 1 . . . . 271 GLN CB . 26837 1 815 . 1 1 271 271 GLN N N 15 119.865 0.130 . 1 . . . . 271 GLN N . 26837 1 816 . 1 1 272 272 LEU H H 1 7.592 0.003 . 1 . . . . 272 LEU H . 26837 1 817 . 1 1 272 272 LEU CA C 13 58.166 0.260 . 1 . . . . 272 LEU CA . 26837 1 818 . 1 1 272 272 LEU CB C 13 40.668 0.260 . 1 . . . . 272 LEU CB . 26837 1 819 . 1 1 272 272 LEU N N 15 124.395 0.130 . 1 . . . . 272 LEU N . 26837 1 820 . 1 1 273 273 ARG H H 1 7.899 0.003 . 1 . . . . 273 ARG H . 26837 1 821 . 1 1 273 273 ARG CA C 13 59.324 0.260 . 1 . . . . 273 ARG CA . 26837 1 822 . 1 1 273 273 ARG CB C 13 28.207 0.260 . 1 . . . . 273 ARG CB . 26837 1 823 . 1 1 273 273 ARG N N 15 121.366 0.130 . 1 . . . . 273 ARG N . 26837 1 824 . 1 1 274 274 PHE H H 1 8.189 0.003 . 1 . . . . 274 PHE H . 26837 1 825 . 1 1 274 274 PHE CA C 13 59.109 0.260 . 1 . . . . 274 PHE CA . 26837 1 826 . 1 1 274 274 PHE CB C 13 38.985 0.260 . 1 . . . . 274 PHE CB . 26837 1 827 . 1 1 274 274 PHE N N 15 117.804 0.130 . 1 . . . . 274 PHE N . 26837 1 828 . 1 1 275 275 SER H H 1 7.969 0.003 . 1 . . . . 275 SER H . 26837 1 829 . 1 1 275 275 SER CA C 13 63.494 0.260 . 1 . . . . 275 SER CA . 26837 1 830 . 1 1 275 275 SER CB C 13 62.606 0.260 . 1 . . . . 275 SER CB . 26837 1 831 . 1 1 275 275 SER N N 15 115.571 0.130 . 1 . . . . 275 SER N . 26837 1 832 . 1 1 277 277 LEU H H 1 8.411 0.003 . 1 . . . . 277 LEU H . 26837 1 833 . 1 1 277 277 LEU CA C 13 57.073 0.260 . 1 . . . . 277 LEU CA . 26837 1 834 . 1 1 277 277 LEU CB C 13 40.832 0.260 . 1 . . . . 277 LEU CB . 26837 1 835 . 1 1 277 277 LEU N N 15 118.963 0.130 . 1 . . . . 277 LEU N . 26837 1 836 . 1 1 278 278 ALA H H 1 8.509 0.003 . 1 . . . . 278 ALA H . 26837 1 837 . 1 1 278 278 ALA CA C 13 54.364 0.260 . 1 . . . . 278 ALA CA . 26837 1 838 . 1 1 278 278 ALA CB C 13 15.888 0.260 . 1 . . . . 278 ALA CB . 26837 1 839 . 1 1 278 278 ALA N N 15 119.785 0.130 . 1 . . . . 278 ALA N . 26837 1 840 . 1 1 279 279 VAL H H 1 7.787 0.003 . 1 . . . . 279 VAL H . 26837 1 841 . 1 1 279 279 VAL CA C 13 65.571 0.260 . 1 . . . . 279 VAL CA . 26837 1 842 . 1 1 279 279 VAL CB C 13 30.102 0.260 . 1 . . . . 279 VAL CB . 26837 1 843 . 1 1 279 279 VAL N N 15 118.664 0.130 . 1 . . . . 279 VAL N . 26837 1 844 . 1 1 281 281 GLU CA C 13 58.396 0.260 . 1 . . . . 281 GLU CA . 26837 1 845 . 1 1 282 282 GLY H H 1 8.721 0.003 . 1 . . . . 282 GLY H . 26837 1 846 . 1 1 282 282 GLY CA C 13 47.534 0.260 . 1 . . . . 282 GLY CA . 26837 1 847 . 1 1 282 282 GLY N N 15 110.261 0.130 . 1 . . . . 282 GLY N . 26837 1 848 . 1 1 283 283 ALA H H 1 8.586 0.003 . 1 . . . . 283 ALA H . 26837 1 849 . 1 1 283 283 ALA CA C 13 54.501 0.260 . 1 . . . . 283 ALA CA . 26837 1 850 . 1 1 283 283 ALA CB C 13 17.754 0.260 . 1 . . . . 283 ALA CB . 26837 1 851 . 1 1 283 283 ALA N N 15 125.402 0.130 . 1 . . . . 283 ALA N . 26837 1 852 . 1 1 284 284 LYS H H 1 7.495 0.003 . 1 . . . . 284 LYS H . 26837 1 853 . 1 1 284 284 LYS CA C 13 58.799 0.260 . 1 . . . . 284 LYS CA . 26837 1 854 . 1 1 284 284 LYS CB C 13 31.453 0.260 . 1 . . . . 284 LYS CB . 26837 1 855 . 1 1 284 284 LYS N N 15 116.419 0.130 . 1 . . . . 284 LYS N . 26837 1 856 . 1 1 285 285 PHE H H 1 7.631 0.003 . 1 . . . . 285 PHE H . 26837 1 857 . 1 1 285 285 PHE CA C 13 59.503 0.260 . 1 . . . . 285 PHE CA . 26837 1 858 . 1 1 285 285 PHE CB C 13 38.518 0.260 . 1 . . . . 285 PHE CB . 26837 1 859 . 1 1 285 285 PHE N N 15 118.390 0.130 . 1 . . . . 285 PHE N . 26837 1 860 . 1 1 286 286 ILE CA C 13 62.692 0.260 . 1 . . . . 286 ILE CA . 26837 1 861 . 1 1 287 287 MET H H 1 8.060 0.003 . 1 . . . . 287 MET H . 26837 1 862 . 1 1 287 287 MET CA C 13 55.522 0.260 . 1 . . . . 287 MET CA . 26837 1 863 . 1 1 287 287 MET CB C 13 31.716 0.260 . 1 . . . . 287 MET CB . 26837 1 864 . 1 1 287 287 MET N N 15 118.509 0.130 . 1 . . . . 287 MET N . 26837 1 865 . 1 1 288 288 GLY H H 1 7.601 0.003 . 1 . . . . 288 GLY H . 26837 1 866 . 1 1 288 288 GLY CA C 13 45.148 0.260 . 1 . . . . 288 GLY CA . 26837 1 867 . 1 1 288 288 GLY N N 15 108.296 0.130 . 1 . . . . 288 GLY N . 26837 1 868 . 1 1 289 289 ASP H H 1 8.094 0.003 . 1 . . . . 289 ASP H . 26837 1 869 . 1 1 289 289 ASP CA C 13 53.826 0.260 . 1 . . . . 289 ASP CA . 26837 1 870 . 1 1 289 289 ASP CB C 13 40.919 0.260 . 1 . . . . 289 ASP CB . 26837 1 871 . 1 1 289 289 ASP N N 15 120.862 0.130 . 1 . . . . 289 ASP N . 26837 1 872 . 1 1 290 290 SER H H 1 8.320 0.003 . 1 . . . . 290 SER H . 26837 1 873 . 1 1 290 290 SER CA C 13 58.952 0.260 . 1 . . . . 290 SER CA . 26837 1 874 . 1 1 290 290 SER CB C 13 62.987 0.260 . 1 . . . . 290 SER CB . 26837 1 875 . 1 1 290 290 SER N N 15 118.564 0.130 . 1 . . . . 290 SER N . 26837 1 876 . 1 1 291 291 SER H H 1 8.444 0.003 . 1 . . . . 291 SER H . 26837 1 877 . 1 1 291 291 SER CA C 13 59.311 0.260 . 1 . . . . 291 SER CA . 26837 1 878 . 1 1 291 291 SER CB C 13 63.004 0.260 . 1 . . . . 291 SER CB . 26837 1 879 . 1 1 291 291 SER N N 15 118.757 0.130 . 1 . . . . 291 SER N . 26837 1 880 . 1 1 292 292 VAL H H 1 7.812 0.003 . 1 . . . . 292 VAL H . 26837 1 881 . 1 1 292 292 VAL CA C 13 62.847 0.260 . 1 . . . . 292 VAL CA . 26837 1 882 . 1 1 292 292 VAL CB C 13 31.240 0.260 . 1 . . . . 292 VAL CB . 26837 1 883 . 1 1 292 292 VAL N N 15 121.561 0.130 . 1 . . . . 292 VAL N . 26837 1 884 . 1 1 293 293 GLN H H 1 8.389 0.003 . 1 . . . . 293 GLN H . 26837 1 885 . 1 1 293 293 GLN CA C 13 54.879 0.260 . 1 . . . . 293 GLN CA . 26837 1 886 . 1 1 293 293 GLN CB C 13 29.150 0.260 . 1 . . . . 293 GLN CB . 26837 1 887 . 1 1 293 293 GLN N N 15 119.692 0.130 . 1 . . . . 293 GLN N . 26837 1 888 . 1 1 294 294 ASP H H 1 8.128 0.003 . 1 . . . . 294 ASP H . 26837 1 889 . 1 1 294 294 ASP CA C 13 54.570 0.260 . 1 . . . . 294 ASP CA . 26837 1 890 . 1 1 294 294 ASP CB C 13 39.700 0.260 . 1 . . . . 294 ASP CB . 26837 1 891 . 1 1 294 294 ASP N N 15 125.912 0.130 . 1 . . . . 294 ASP N . 26837 1 892 . 1 1 295 295 GLN H H 1 7.965 0.003 . 1 . . . . 295 GLN H . 26837 1 893 . 1 1 295 295 GLN CA C 13 56.699 0.260 . 1 . . . . 295 GLN CA . 26837 1 894 . 1 1 295 295 GLN CB C 13 28.028 0.260 . 1 . . . . 295 GLN CB . 26837 1 895 . 1 1 295 295 GLN N N 15 119.861 0.130 . 1 . . . . 295 GLN N . 26837 1 896 . 1 1 296 296 TRP H H 1 7.954 0.003 . 1 . . . . 296 TRP H . 26837 1 897 . 1 1 296 296 TRP HE1 H 1 10.119 0.003 . 1 . . . . 296 TRP HE1 . 26837 1 898 . 1 1 296 296 TRP CA C 13 57.342 0.260 . 1 . . . . 296 TRP CA . 26837 1 899 . 1 1 296 296 TRP CB C 13 28.214 0.260 . 1 . . . . 296 TRP CB . 26837 1 900 . 1 1 296 296 TRP N N 15 120.783 0.130 . 1 . . . . 296 TRP N . 26837 1 901 . 1 1 296 296 TRP NE1 N 15 129.527 0.130 . 1 . . . . 296 TRP NE1 . 26837 1 902 . 1 1 297 297 LYS H H 1 7.746 0.003 . 1 . . . . 297 LYS H . 26837 1 903 . 1 1 297 297 LYS CA C 13 57.204 0.260 . 1 . . . . 297 LYS CA . 26837 1 904 . 1 1 297 297 LYS CB C 13 31.990 0.260 . 1 . . . . 297 LYS CB . 26837 1 905 . 1 1 297 297 LYS N N 15 122.277 0.130 . 1 . . . . 297 LYS N . 26837 1 906 . 1 1 298 298 GLU H H 1 8.107 0.003 . 1 . . . . 298 GLU H . 26837 1 907 . 1 1 298 298 GLU CA C 13 56.844 0.260 . 1 . . . . 298 GLU CA . 26837 1 908 . 1 1 298 298 GLU CB C 13 29.120 0.260 . 1 . . . . 298 GLU CB . 26837 1 909 . 1 1 298 298 GLU N N 15 120.926 0.130 . 1 . . . . 298 GLU N . 26837 1 910 . 1 1 299 299 LEU H H 1 7.960 0.003 . 1 . . . . 299 LEU H . 26837 1 911 . 1 1 299 299 LEU CA C 13 55.043 0.260 . 1 . . . . 299 LEU CA . 26837 1 912 . 1 1 299 299 LEU CB C 13 41.264 0.260 . 1 . . . . 299 LEU CB . 26837 1 913 . 1 1 299 299 LEU N N 15 122.087 0.130 . 1 . . . . 299 LEU N . 26837 1 914 . 1 1 300 300 SER H H 1 8.114 0.003 . 1 . . . . 300 SER H . 26837 1 915 . 1 1 300 300 SER CA C 13 57.989 0.260 . 1 . . . . 300 SER CA . 26837 1 916 . 1 1 300 300 SER CB C 13 63.246 0.260 . 1 . . . . 300 SER CB . 26837 1 917 . 1 1 300 300 SER N N 15 116.072 0.130 . 1 . . . . 300 SER N . 26837 1 918 . 1 1 301 301 HIS H H 1 8.494 0.003 . 1 . . . . 301 HIS H . 26837 1 919 . 1 1 301 301 HIS CA C 13 56.187 0.260 . 1 . . . . 301 HIS CA . 26837 1 920 . 1 1 301 301 HIS CB C 13 33.144 0.260 . 1 . . . . 301 HIS CB . 26837 1 921 . 1 1 301 301 HIS N N 15 123.017 0.130 . 1 . . . . 301 HIS N . 26837 1 922 . 1 1 303 303 ASP H H 1 8.336 0.003 . 1 . . . . 303 ASP H . 26837 1 923 . 1 1 303 303 ASP CA C 13 54.212 0.260 . 1 . . . . 303 ASP CA . 26837 1 924 . 1 1 303 303 ASP CB C 13 40.594 0.260 . 1 . . . . 303 ASP CB . 26837 1 925 . 1 1 303 303 ASP N N 15 121.595 0.130 . 1 . . . . 303 ASP N . 26837 1 926 . 1 1 304 304 LEU H H 1 8.065 0.003 . 1 . . . . 304 LEU H . 26837 1 927 . 1 1 304 304 LEU CA C 13 54.509 0.260 . 1 . . . . 304 LEU CA . 26837 1 928 . 1 1 304 304 LEU CB C 13 41.332 0.260 . 1 . . . . 304 LEU CB . 26837 1 929 . 1 1 304 304 LEU N N 15 122.656 0.130 . 1 . . . . 304 LEU N . 26837 1 930 . 1 1 305 305 GLU H H 1 8.134 0.003 . 1 . . . . 305 GLU H . 26837 1 931 . 1 1 305 305 GLU CA C 13 53.979 0.260 . 1 . . . . 305 GLU CA . 26837 1 932 . 1 1 305 305 GLU CB C 13 29.017 0.260 . 1 . . . . 305 GLU CB . 26837 1 933 . 1 1 305 305 GLU N N 15 123.008 0.130 . 1 . . . . 305 GLU N . 26837 1 stop_ save_