data_25154 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25154 _Entry.Title ; Backbone 1H, 15N and 13C resonance assignments of murine STING in complex with DMXAA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-15 _Entry.Accession_date 2014-08-15 _Entry.Last_release_date 2016-09-28 _Entry.Original_release_date 2016-09-28 _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 Yuan-Chao Lou . . . . 25154 2 Yi-Fen Kao . . . . 25154 3 Ko-Hsin Chin . . . . 25154 4 Jen-Kang Chen . . . . 25154 5 Je-Le Tu . . . . 25154 6 Chinpan Chen . . . . 25154 7 Shan-Ho Chou . . . . 25154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 25154 '15N chemical shifts' 221 25154 '1H chemical shifts' 234 25154 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 2 . . 2016-09-28 2014-08-15 update BMRB 'update entry citation' 25154 1 . . 2015-03-23 2014-08-15 original author 'original release' 25154 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4KC0 'Crystal structure of mouse Sting' 25154 PDB 4LOL 'Crystal structure of mSting in complex with DMXAA' 25154 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25154 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25487675 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments of the 54 kDa dimeric C-terminal domain of murine STING in complex with DMXAA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _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 271 _Citation.Page_last 274 _Citation.Year 2015 _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 Yuan-Chao Lou . . . . 25154 1 2 Yi-Fen Kao . . . . 25154 1 3 Ko-Hsin Chin . . . . 25154 1 4 Jen-Kang Chen . . . . 25154 1 5 Je-Le Tu . . . . 25154 1 6 Chinpan Chen . . . . 25154 1 7 Shan-Ho Chou . . . . 25154 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DMXAA 25154 1 NMR 25154 1 STING 25154 1 'innate immune response' 25154 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25154 _Assembly.ID 1 _Assembly.Name 'DMXAA-bound mSTING dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 56000 _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 'stimulators_of_interferon_genes_protein, 1' 1 $stimulators_of_interferon_genes_protein A . yes native no no . . . 25154 1 2 'stimulators_of_interferon_genes_protein, 2' 1 $stimulators_of_interferon_genes_protein B . yes native no no . . . 25154 1 3 'DMXAA, 1' 2 $entity_1YE C . no native no no . . . 25154 1 4 'DMXAA, 2' 2 $entity_1YE D . no native no no . . . 25154 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4KC0 . . X-ray 2.2 . . 25154 1 yes PDB 4LOL . . X-ray 2.43 . . 25154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_stimulators_of_interferon_genes_protein _Entity.Sf_category entity _Entity.Sf_framecode stimulators_of_interferon_genes_protein _Entity.Entry_ID 25154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name stimulators_of_interferon_genes_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNALTPAEVSAVCEEKKLNV AHGLAWSYYIGYLRLILPGL QARIRMFNQLHNNMLSGAGS RRLYILFPLDCGVPDNLSVV DPNIRFRDMLPQQNIDRAGI KNRVYSNSVYEILENGQPAG VCILEYATPLQTLFAMSQDA KAGFSREDRLEQAKLFCRTL EEILEDVPESRNNCRLIVYQ EPTDGNSFSLSQEVLRHIRQ EEKEEVTMNAPMTSVAPPPS VLSQEPRLLISGMDQPLPLR TDLI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1 to 3 are non-native sequence after TEV protease digestion. The 4th residue L is L138 in the native mouse STING protein. And this construct codes for mSTING138-378. ; _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 244 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-DI-GMP binding domain from residue 138 to 378' _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 SER . 25154 1 2 2 ASN . 25154 1 3 3 ALA . 25154 1 4 138 LEU . 25154 1 5 139 THR . 25154 1 6 140 PRO . 25154 1 7 141 ALA . 25154 1 8 142 GLU . 25154 1 9 143 VAL . 25154 1 10 144 SER . 25154 1 11 145 ALA . 25154 1 12 146 VAL . 25154 1 13 147 CYS . 25154 1 14 148 GLU . 25154 1 15 149 GLU . 25154 1 16 150 LYS . 25154 1 17 151 LYS . 25154 1 18 152 LEU . 25154 1 19 153 ASN . 25154 1 20 154 VAL . 25154 1 21 155 ALA . 25154 1 22 156 HIS . 25154 1 23 157 GLY . 25154 1 24 158 LEU . 25154 1 25 159 ALA . 25154 1 26 160 TRP . 25154 1 27 161 SER . 25154 1 28 162 TYR . 25154 1 29 163 TYR . 25154 1 30 164 ILE . 25154 1 31 165 GLY . 25154 1 32 166 TYR . 25154 1 33 167 LEU . 25154 1 34 168 ARG . 25154 1 35 169 LEU . 25154 1 36 170 ILE . 25154 1 37 171 LEU . 25154 1 38 172 PRO . 25154 1 39 173 GLY . 25154 1 40 174 LEU . 25154 1 41 175 GLN . 25154 1 42 176 ALA . 25154 1 43 177 ARG . 25154 1 44 178 ILE . 25154 1 45 179 ARG . 25154 1 46 180 MET . 25154 1 47 181 PHE . 25154 1 48 182 ASN . 25154 1 49 183 GLN . 25154 1 50 184 LEU . 25154 1 51 185 HIS . 25154 1 52 186 ASN . 25154 1 53 187 ASN . 25154 1 54 188 MET . 25154 1 55 189 LEU . 25154 1 56 190 SER . 25154 1 57 191 GLY . 25154 1 58 192 ALA . 25154 1 59 193 GLY . 25154 1 60 194 SER . 25154 1 61 195 ARG . 25154 1 62 196 ARG . 25154 1 63 197 LEU . 25154 1 64 198 TYR . 25154 1 65 199 ILE . 25154 1 66 200 LEU . 25154 1 67 201 PHE . 25154 1 68 202 PRO . 25154 1 69 203 LEU . 25154 1 70 204 ASP . 25154 1 71 205 CYS . 25154 1 72 206 GLY . 25154 1 73 207 VAL . 25154 1 74 208 PRO . 25154 1 75 209 ASP . 25154 1 76 210 ASN . 25154 1 77 211 LEU . 25154 1 78 212 SER . 25154 1 79 213 VAL . 25154 1 80 214 VAL . 25154 1 81 215 ASP . 25154 1 82 216 PRO . 25154 1 83 217 ASN . 25154 1 84 218 ILE . 25154 1 85 219 ARG . 25154 1 86 220 PHE . 25154 1 87 221 ARG . 25154 1 88 222 ASP . 25154 1 89 223 MET . 25154 1 90 224 LEU . 25154 1 91 225 PRO . 25154 1 92 226 GLN . 25154 1 93 227 GLN . 25154 1 94 228 ASN . 25154 1 95 229 ILE . 25154 1 96 230 ASP . 25154 1 97 231 ARG . 25154 1 98 232 ALA . 25154 1 99 233 GLY . 25154 1 100 234 ILE . 25154 1 101 235 LYS . 25154 1 102 236 ASN . 25154 1 103 237 ARG . 25154 1 104 238 VAL . 25154 1 105 239 TYR . 25154 1 106 240 SER . 25154 1 107 241 ASN . 25154 1 108 242 SER . 25154 1 109 243 VAL . 25154 1 110 244 TYR . 25154 1 111 245 GLU . 25154 1 112 246 ILE . 25154 1 113 247 LEU . 25154 1 114 248 GLU . 25154 1 115 249 ASN . 25154 1 116 250 GLY . 25154 1 117 251 GLN . 25154 1 118 252 PRO . 25154 1 119 253 ALA . 25154 1 120 254 GLY . 25154 1 121 255 VAL . 25154 1 122 256 CYS . 25154 1 123 257 ILE . 25154 1 124 258 LEU . 25154 1 125 259 GLU . 25154 1 126 260 TYR . 25154 1 127 261 ALA . 25154 1 128 262 THR . 25154 1 129 263 PRO . 25154 1 130 264 LEU . 25154 1 131 265 GLN . 25154 1 132 266 THR . 25154 1 133 267 LEU . 25154 1 134 268 PHE . 25154 1 135 269 ALA . 25154 1 136 270 MET . 25154 1 137 271 SER . 25154 1 138 272 GLN . 25154 1 139 273 ASP . 25154 1 140 274 ALA . 25154 1 141 275 LYS . 25154 1 142 276 ALA . 25154 1 143 277 GLY . 25154 1 144 278 PHE . 25154 1 145 279 SER . 25154 1 146 280 ARG . 25154 1 147 281 GLU . 25154 1 148 282 ASP . 25154 1 149 283 ARG . 25154 1 150 284 LEU . 25154 1 151 285 GLU . 25154 1 152 286 GLN . 25154 1 153 287 ALA . 25154 1 154 288 LYS . 25154 1 155 289 LEU . 25154 1 156 290 PHE . 25154 1 157 291 CYS . 25154 1 158 292 ARG . 25154 1 159 293 THR . 25154 1 160 294 LEU . 25154 1 161 295 GLU . 25154 1 162 296 GLU . 25154 1 163 297 ILE . 25154 1 164 298 LEU . 25154 1 165 299 GLU . 25154 1 166 300 ASP . 25154 1 167 301 VAL . 25154 1 168 302 PRO . 25154 1 169 303 GLU . 25154 1 170 304 SER . 25154 1 171 305 ARG . 25154 1 172 306 ASN . 25154 1 173 307 ASN . 25154 1 174 308 CYS . 25154 1 175 309 ARG . 25154 1 176 310 LEU . 25154 1 177 311 ILE . 25154 1 178 312 VAL . 25154 1 179 313 TYR . 25154 1 180 314 GLN . 25154 1 181 315 GLU . 25154 1 182 316 PRO . 25154 1 183 317 THR . 25154 1 184 318 ASP . 25154 1 185 319 GLY . 25154 1 186 320 ASN . 25154 1 187 321 SER . 25154 1 188 322 PHE . 25154 1 189 323 SER . 25154 1 190 324 LEU . 25154 1 191 325 SER . 25154 1 192 326 GLN . 25154 1 193 327 GLU . 25154 1 194 328 VAL . 25154 1 195 329 LEU . 25154 1 196 330 ARG . 25154 1 197 331 HIS . 25154 1 198 332 ILE . 25154 1 199 333 ARG . 25154 1 200 334 GLN . 25154 1 201 335 GLU . 25154 1 202 336 GLU . 25154 1 203 337 LYS . 25154 1 204 338 GLU . 25154 1 205 339 GLU . 25154 1 206 340 VAL . 25154 1 207 341 THR . 25154 1 208 342 MET . 25154 1 209 343 ASN . 25154 1 210 344 ALA . 25154 1 211 345 PRO . 25154 1 212 346 MET . 25154 1 213 347 THR . 25154 1 214 348 SER . 25154 1 215 349 VAL . 25154 1 216 350 ALA . 25154 1 217 351 PRO . 25154 1 218 352 PRO . 25154 1 219 353 PRO . 25154 1 220 354 SER . 25154 1 221 355 VAL . 25154 1 222 356 LEU . 25154 1 223 357 SER . 25154 1 224 358 GLN . 25154 1 225 359 GLU . 25154 1 226 360 PRO . 25154 1 227 361 ARG . 25154 1 228 362 LEU . 25154 1 229 363 LEU . 25154 1 230 364 ILE . 25154 1 231 365 SER . 25154 1 232 366 GLY . 25154 1 233 367 MET . 25154 1 234 368 ASP . 25154 1 235 369 GLN . 25154 1 236 370 PRO . 25154 1 237 371 LEU . 25154 1 238 372 PRO . 25154 1 239 373 LEU . 25154 1 240 374 ARG . 25154 1 241 375 THR . 25154 1 242 376 ASP . 25154 1 243 377 LEU . 25154 1 244 378 ILE . 25154 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25154 1 . ASN 2 2 25154 1 . ALA 3 3 25154 1 . LEU 4 4 25154 1 . THR 5 5 25154 1 . PRO 6 6 25154 1 . ALA 7 7 25154 1 . GLU 8 8 25154 1 . VAL 9 9 25154 1 . SER 10 10 25154 1 . ALA 11 11 25154 1 . VAL 12 12 25154 1 . CYS 13 13 25154 1 . GLU 14 14 25154 1 . GLU 15 15 25154 1 . LYS 16 16 25154 1 . LYS 17 17 25154 1 . LEU 18 18 25154 1 . ASN 19 19 25154 1 . VAL 20 20 25154 1 . ALA 21 21 25154 1 . HIS 22 22 25154 1 . GLY 23 23 25154 1 . LEU 24 24 25154 1 . ALA 25 25 25154 1 . TRP 26 26 25154 1 . SER 27 27 25154 1 . TYR 28 28 25154 1 . TYR 29 29 25154 1 . ILE 30 30 25154 1 . GLY 31 31 25154 1 . TYR 32 32 25154 1 . LEU 33 33 25154 1 . ARG 34 34 25154 1 . LEU 35 35 25154 1 . ILE 36 36 25154 1 . LEU 37 37 25154 1 . PRO 38 38 25154 1 . GLY 39 39 25154 1 . LEU 40 40 25154 1 . GLN 41 41 25154 1 . ALA 42 42 25154 1 . ARG 43 43 25154 1 . ILE 44 44 25154 1 . ARG 45 45 25154 1 . MET 46 46 25154 1 . PHE 47 47 25154 1 . ASN 48 48 25154 1 . GLN 49 49 25154 1 . LEU 50 50 25154 1 . HIS 51 51 25154 1 . ASN 52 52 25154 1 . ASN 53 53 25154 1 . MET 54 54 25154 1 . LEU 55 55 25154 1 . SER 56 56 25154 1 . GLY 57 57 25154 1 . ALA 58 58 25154 1 . GLY 59 59 25154 1 . SER 60 60 25154 1 . ARG 61 61 25154 1 . ARG 62 62 25154 1 . LEU 63 63 25154 1 . TYR 64 64 25154 1 . ILE 65 65 25154 1 . LEU 66 66 25154 1 . PHE 67 67 25154 1 . PRO 68 68 25154 1 . LEU 69 69 25154 1 . ASP 70 70 25154 1 . CYS 71 71 25154 1 . GLY 72 72 25154 1 . VAL 73 73 25154 1 . PRO 74 74 25154 1 . ASP 75 75 25154 1 . ASN 76 76 25154 1 . LEU 77 77 25154 1 . SER 78 78 25154 1 . VAL 79 79 25154 1 . VAL 80 80 25154 1 . ASP 81 81 25154 1 . PRO 82 82 25154 1 . ASN 83 83 25154 1 . ILE 84 84 25154 1 . ARG 85 85 25154 1 . PHE 86 86 25154 1 . ARG 87 87 25154 1 . ASP 88 88 25154 1 . MET 89 89 25154 1 . LEU 90 90 25154 1 . PRO 91 91 25154 1 . GLN 92 92 25154 1 . GLN 93 93 25154 1 . ASN 94 94 25154 1 . ILE 95 95 25154 1 . ASP 96 96 25154 1 . ARG 97 97 25154 1 . ALA 98 98 25154 1 . GLY 99 99 25154 1 . ILE 100 100 25154 1 . LYS 101 101 25154 1 . ASN 102 102 25154 1 . ARG 103 103 25154 1 . VAL 104 104 25154 1 . TYR 105 105 25154 1 . SER 106 106 25154 1 . ASN 107 107 25154 1 . SER 108 108 25154 1 . VAL 109 109 25154 1 . TYR 110 110 25154 1 . GLU 111 111 25154 1 . ILE 112 112 25154 1 . LEU 113 113 25154 1 . GLU 114 114 25154 1 . ASN 115 115 25154 1 . GLY 116 116 25154 1 . GLN 117 117 25154 1 . PRO 118 118 25154 1 . ALA 119 119 25154 1 . GLY 120 120 25154 1 . VAL 121 121 25154 1 . CYS 122 122 25154 1 . ILE 123 123 25154 1 . LEU 124 124 25154 1 . GLU 125 125 25154 1 . TYR 126 126 25154 1 . ALA 127 127 25154 1 . THR 128 128 25154 1 . PRO 129 129 25154 1 . LEU 130 130 25154 1 . GLN 131 131 25154 1 . THR 132 132 25154 1 . LEU 133 133 25154 1 . PHE 134 134 25154 1 . ALA 135 135 25154 1 . MET 136 136 25154 1 . SER 137 137 25154 1 . GLN 138 138 25154 1 . ASP 139 139 25154 1 . ALA 140 140 25154 1 . LYS 141 141 25154 1 . ALA 142 142 25154 1 . GLY 143 143 25154 1 . PHE 144 144 25154 1 . SER 145 145 25154 1 . ARG 146 146 25154 1 . GLU 147 147 25154 1 . ASP 148 148 25154 1 . ARG 149 149 25154 1 . LEU 150 150 25154 1 . GLU 151 151 25154 1 . GLN 152 152 25154 1 . ALA 153 153 25154 1 . LYS 154 154 25154 1 . LEU 155 155 25154 1 . PHE 156 156 25154 1 . CYS 157 157 25154 1 . ARG 158 158 25154 1 . THR 159 159 25154 1 . LEU 160 160 25154 1 . GLU 161 161 25154 1 . GLU 162 162 25154 1 . ILE 163 163 25154 1 . LEU 164 164 25154 1 . GLU 165 165 25154 1 . ASP 166 166 25154 1 . VAL 167 167 25154 1 . PRO 168 168 25154 1 . GLU 169 169 25154 1 . SER 170 170 25154 1 . ARG 171 171 25154 1 . ASN 172 172 25154 1 . ASN 173 173 25154 1 . CYS 174 174 25154 1 . ARG 175 175 25154 1 . LEU 176 176 25154 1 . ILE 177 177 25154 1 . VAL 178 178 25154 1 . TYR 179 179 25154 1 . GLN 180 180 25154 1 . GLU 181 181 25154 1 . PRO 182 182 25154 1 . THR 183 183 25154 1 . ASP 184 184 25154 1 . GLY 185 185 25154 1 . ASN 186 186 25154 1 . SER 187 187 25154 1 . PHE 188 188 25154 1 . SER 189 189 25154 1 . LEU 190 190 25154 1 . SER 191 191 25154 1 . GLN 192 192 25154 1 . GLU 193 193 25154 1 . VAL 194 194 25154 1 . LEU 195 195 25154 1 . ARG 196 196 25154 1 . HIS 197 197 25154 1 . ILE 198 198 25154 1 . ARG 199 199 25154 1 . GLN 200 200 25154 1 . GLU 201 201 25154 1 . GLU 202 202 25154 1 . LYS 203 203 25154 1 . GLU 204 204 25154 1 . GLU 205 205 25154 1 . VAL 206 206 25154 1 . THR 207 207 25154 1 . MET 208 208 25154 1 . ASN 209 209 25154 1 . ALA 210 210 25154 1 . PRO 211 211 25154 1 . MET 212 212 25154 1 . THR 213 213 25154 1 . SER 214 214 25154 1 . VAL 215 215 25154 1 . ALA 216 216 25154 1 . PRO 217 217 25154 1 . PRO 218 218 25154 1 . PRO 219 219 25154 1 . SER 220 220 25154 1 . VAL 221 221 25154 1 . LEU 222 222 25154 1 . SER 223 223 25154 1 . GLN 224 224 25154 1 . GLU 225 225 25154 1 . PRO 226 226 25154 1 . ARG 227 227 25154 1 . LEU 228 228 25154 1 . LEU 229 229 25154 1 . ILE 230 230 25154 1 . SER 231 231 25154 1 . GLY 232 232 25154 1 . MET 233 233 25154 1 . ASP 234 234 25154 1 . GLN 235 235 25154 1 . PRO 236 236 25154 1 . LEU 237 237 25154 1 . PRO 238 238 25154 1 . LEU 239 239 25154 1 . ARG 240 240 25154 1 . THR 241 241 25154 1 . ASP 242 242 25154 1 . LEU 243 243 25154 1 . ILE 244 244 25154 1 stop_ save_ save_entity_1YE _Entity.Sf_category entity _Entity.Sf_framecode entity_1YE _Entity.Entry_ID 25154 _Entity.ID 2 _Entity.BMRB_code 1YE _Entity.Name entity_1YE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 1YE _Entity.Nonpolymer_comp_label $chem_comp_1YE _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 282.291 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid' BMRB 25154 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid' BMRB 25154 2 1YE 'Three letter code' 25154 2 stop_ 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 1YE $chem_comp_1YE 25154 2 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 25154 _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 $stimulators_of_interferon_genes_protein . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'MITA, ERIS, MPYS and TMEM173' . 25154 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 25154 _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 $stimulators_of_interferon_genes_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 25154 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_1YE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1YE _Chem_comp.Entry_ID 25154 _Chem_comp.ID 1YE _Chem_comp.Provenance PDB _Chem_comp.Name '(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 1YE _Chem_comp.PDB_code 1YE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2013-08-16 _Chem_comp.Modified_date 2013-08-16 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 1YE _Chem_comp.Number_atoms_all 35 _Chem_comp.Number_atoms_nh 21 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H14 O4' _Chem_comp.Formula_weight 282.291 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 4LOL _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1ccc2C(=O)c3cccc(CC(O)=O)c3Oc2c1C SMILES CACTVS 3.385 25154 1YE Cc1ccc2C(=O)c3cccc(CC(O)=O)c3Oc2c1C SMILES_CANONICAL CACTVS 3.385 25154 1YE Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 25154 1YE Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25154 1YE InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19) InChI InChI 1.03 25154 1YE O=C(O)Cc3cccc1c3Oc2c(C1=O)ccc(c2C)C SMILES ACDLabs 12.01 25154 1YE XGOYIMQSIKSOBS-UHFFFAOYSA-N InChIKey InChI 1.03 25154 1YE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 25154 1YE '2-(5,6-dimethyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25154 1YE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OAD OAD OAD OAD . O . . N 0 . . . 1 no no . . . . 23.110 . -30.875 . -10.641 . 1.128 -3.416 -0.108 1 . 25154 1YE CAQ CAQ CAQ CAQ . C . . N 0 . . . 1 no no . . . . 22.129 . -30.227 . -11.045 . 0.765 -2.256 -0.043 2 . 25154 1YE CAS CAS CAS CAS . C . . N 0 . . . 1 yes no . . . . 21.271 . -29.507 . -10.211 . 1.724 -1.130 -0.061 3 . 25154 1YE CAJ CAJ CAJ CAJ . C . . N 0 . . . 1 yes no . . . . 21.543 . -29.376 . -8.863 . 3.057 -1.327 -0.418 4 . 25154 1YE CAH CAH CAH CAH . C . . N 0 . . . 1 yes no . . . . 20.672 . -28.632 . -8.080 . 3.923 -0.255 -0.430 5 . 25154 1YE CAN CAN CAN CAN . C . . N 0 . . . 1 yes no . . . . 19.523 . -28.032 . -8.589 . 3.468 1.011 -0.090 6 . 25154 1YE CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 18.705 . -27.286 . -7.681 . 4.424 2.176 -0.110 7 . 25154 1YE CAO CAO CAO CAO . C . . N 0 . . . 1 yes no . . . . 19.245 . -28.146 . -9.959 . 2.153 1.216 0.266 8 . 25154 1YE CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 18.109 . -27.577 . -10.574 . 1.679 2.599 0.633 9 . 25154 1YE CAT CAT CAT CAT . C . . N 0 . . . 1 yes no . . . . 20.122 . -28.874 . -10.718 . 1.260 0.148 0.289 10 . 25154 1YE OAL OAL OAL OAL . O . . N 0 . . . 1 no no . . . . 19.779 . -28.958 . -12.005 . -0.023 0.349 0.649 11 . 25154 1YE CAU CAU CAU CAU . C . . N 0 . . . 1 yes no . . . . 20.647 . -29.548 . -12.847 . -0.985 -0.562 0.405 12 . 25154 1YE CAR CAR CAR CAR . C . . N 0 . . . 1 yes no . . . . 21.819 . -30.175 . -12.391 . -0.663 -1.884 0.053 13 . 25154 1YE CAI CAI CAI CAI . C . . N 0 . . . 1 yes no . . . . 22.670 . -30.772 . -13.293 . -1.668 -2.817 -0.189 14 . 25154 1YE CAF CAF CAF CAF . C . . N 0 . . . 1 yes no . . . . 22.347 . -30.735 . -14.620 . -2.989 -2.436 -0.087 15 . 25154 1YE CAG CAG CAG CAG . C . . N 0 . . . 1 yes no . . . . 21.187 . -30.093 . -15.045 . -3.312 -1.132 0.256 16 . 25154 1YE CAP CAP CAP CAP . C . . N 0 . . . 1 yes no . . . . 20.319 . -29.475 . -14.175 . -2.325 -0.197 0.489 17 . 25154 1YE CAK CAK CAK CAK . C . . N 0 . . . 1 no no . . . . 19.154 . -28.836 . -14.625 . -2.699 1.215 0.861 18 . 25154 1YE CAM CAM CAM CAM . C . . N 0 . . . 1 no no . . . . 19.089 . -27.307 . -14.266 . -2.719 2.072 -0.378 19 . 25154 1YE OAE OAE OAE OAE . O . . N 0 . . . 1 no no . . . . 20.115 . -26.650 . -14.018 . -3.028 3.375 -0.288 20 . 25154 1YE OAC OAC OAC OAC . O . . N 0 . . . 1 no no . . . . 17.962 . -26.787 . -14.244 . -2.456 1.587 -1.453 21 . 25154 1YE H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 22.415 . -29.842 . -8.428 . 3.409 -2.313 -0.683 22 . 25154 1YE H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 20.895 . -28.513 . -7.030 . 4.957 -0.400 -0.705 23 . 25154 1YE H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 17.942 . -27.948 . -7.246 . 4.416 2.635 -1.098 24 . 25154 1YE H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 19.332 . -26.873 . -6.878 . 4.118 2.910 0.635 25 . 25154 1YE H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 18.213 . -26.464 . -8.222 . 5.430 1.824 0.119 26 . 25154 1YE H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 17.276 . -28.295 . -10.542 . 1.327 3.111 -0.262 27 . 25154 1YE H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 17.823 . -26.660 . -10.039 . 0.865 2.525 1.354 28 . 25154 1YE H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 18.343 . -27.333 . -11.621 . 2.504 3.160 1.072 29 . 25154 1YE H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 23.574 . -31.259 . -12.959 . -1.415 -3.833 -0.456 30 . 25154 1YE H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 22.995 . -31.207 . -15.344 . -3.774 -3.154 -0.274 31 . 25154 1YE H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 20.959 . -30.080 . -16.101 . -4.350 -0.841 0.332 32 . 25154 1YE H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 18.286 . -29.336 . -14.170 . -3.687 1.220 1.322 33 . 25154 1YE H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 19.103 . -28.938 . -15.719 . -1.968 1.611 1.565 34 . 25154 1YE H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 19.877 . -25.751 . -13.826 . -3.027 3.885 -1.110 35 . 25154 1YE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB CAG CAF yes N 1 . 25154 1YE 2 . SING CAG CAP yes N 2 . 25154 1YE 3 . SING CAK CAM no N 3 . 25154 1YE 4 . SING CAK CAP no N 4 . 25154 1YE 5 . SING CAF CAI yes N 5 . 25154 1YE 6 . DOUB CAM OAC no N 6 . 25154 1YE 7 . SING CAM OAE no N 7 . 25154 1YE 8 . DOUB CAP CAU yes N 8 . 25154 1YE 9 . DOUB CAI CAR yes N 9 . 25154 1YE 10 . SING CAU CAR yes N 10 . 25154 1YE 11 . SING CAU OAL no N 11 . 25154 1YE 12 . SING CAR CAQ no N 12 . 25154 1YE 13 . SING OAL CAT no N 13 . 25154 1YE 14 . DOUB CAQ OAD no N 14 . 25154 1YE 15 . SING CAQ CAS no N 15 . 25154 1YE 16 . DOUB CAT CAS yes N 16 . 25154 1YE 17 . SING CAT CAO yes N 17 . 25154 1YE 18 . SING CAB CAO no N 18 . 25154 1YE 19 . SING CAS CAJ yes N 19 . 25154 1YE 20 . DOUB CAO CAN yes N 20 . 25154 1YE 21 . DOUB CAJ CAH yes N 21 . 25154 1YE 22 . SING CAN CAH yes N 22 . 25154 1YE 23 . SING CAN CAA no N 23 . 25154 1YE 24 . SING CAJ H1 no N 24 . 25154 1YE 25 . SING CAH H2 no N 25 . 25154 1YE 26 . SING CAA H3 no N 26 . 25154 1YE 27 . SING CAA H4 no N 27 . 25154 1YE 28 . SING CAA H5 no N 28 . 25154 1YE 29 . SING CAB H6 no N 29 . 25154 1YE 30 . SING CAB H7 no N 30 . 25154 1YE 31 . SING CAB H8 no N 31 . 25154 1YE 32 . SING CAI H9 no N 32 . 25154 1YE 33 . SING CAF H10 no N 33 . 25154 1YE 34 . SING CAG H11 no N 34 . 25154 1YE 35 . SING CAK H12 no N 35 . 25154 1YE 36 . SING CAK H13 no N 36 . 25154 1YE 37 . SING OAE H14 no N 37 . 25154 1YE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25154 _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 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25154 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25154 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25154 1 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 25154 1 5 'stimulators of interferon genes protein' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $stimulators_of_interferon_genes_protein . . 1.25 1 1.5 mM . . . . 25154 1 6 DMXAA 'natural abundance' . . 2 $entity_1YE . . 3.5 3 4 mM . . . . 25154 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25154 _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' 200 . mM 25154 1 pH 7 . pH 25154 1 pressure 1 . atm 25154 1 temperature 310 . K 25154 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25154 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25154 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25154 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25154 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25154 2 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 25154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25154 _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 . 850 . . . 25154 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 25154 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25154 1 2 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25154 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25154 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25154 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25154 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 25154 _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 . . . . . 25154 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25154 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25154 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 25154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25154 1 2 '3D HN(CO)CACB' . . . 25154 1 3 '3D HNCACB' . . . 25154 1 4 '3D HNCO' . . . 25154 1 5 '3D HN(CA)CO' . . . 25154 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 25154 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 4 4 LEU H H 1 8.1933 0.02 . 1 . . . . 138 LEU HN . 25154 1 2 . 1 1 4 4 LEU C C 13 177.3490 0.1 . 1 . . . . 138 LEU C . 25154 1 3 . 1 1 4 4 LEU CA C 13 54.7760 0.1 . 1 . . . . 138 LEU CA . 25154 1 4 . 1 1 4 4 LEU CB C 13 41.6060 0.1 . 1 . . . . 138 LEU CB . 25154 1 5 . 1 1 4 4 LEU N N 15 120.7526 0.1 . 1 . . . . 138 LEU N . 25154 1 6 . 1 1 5 5 THR H H 1 8.0932 0.02 . 1 . . . . 139 THR HN . 25154 1 7 . 1 1 5 5 THR C C 13 172.9770 0.1 . 1 . . . . 139 THR C . 25154 1 8 . 1 1 5 5 THR CA C 13 59.5350 0.1 . 1 . . . . 139 THR CA . 25154 1 9 . 1 1 5 5 THR CB C 13 69.2990 0.1 . 1 . . . . 139 THR CB . 25154 1 10 . 1 1 5 5 THR N N 15 116.4084 0.1 . 1 . . . . 139 THR N . 25154 1 11 . 1 1 6 6 PRO C C 13 176.9880 0.1 . 1 . . . . 140 PRO C . 25154 1 12 . 1 1 6 6 PRO CA C 13 63.3810 0.1 . 1 . . . . 140 PRO CA . 25154 1 13 . 1 1 6 6 PRO CB C 13 31.2990 0.1 . 1 . . . . 140 PRO CB . 25154 1 14 . 1 1 7 7 ALA H H 1 8.2185 0.02 . 1 . . . . 141 ALA HN . 25154 1 15 . 1 1 7 7 ALA C C 13 178.1020 0.1 . 1 . . . . 141 ALA C . 25154 1 16 . 1 1 7 7 ALA CA C 13 52.6320 0.1 . 1 . . . . 141 ALA CA . 25154 1 17 . 1 1 7 7 ALA CB C 13 18.5400 0.1 . 1 . . . . 141 ALA CB . 25154 1 18 . 1 1 7 7 ALA N N 15 122.6828 0.1 . 1 . . . . 141 ALA N . 25154 1 19 . 1 1 8 8 GLU H H 1 8.1925 0.02 . 1 . . . . 142 GLU HN . 25154 1 20 . 1 1 8 8 GLU C C 13 176.7330 0.1 . 1 . . . . 142 GLU C . 25154 1 21 . 1 1 8 8 GLU CA C 13 56.4440 0.1 . 1 . . . . 142 GLU CA . 25154 1 22 . 1 1 8 8 GLU CB C 13 29.6540 0.1 . 1 . . . . 142 GLU CB . 25154 1 23 . 1 1 8 8 GLU N N 15 119.2458 0.1 . 1 . . . . 142 GLU N . 25154 1 24 . 1 1 9 9 VAL H H 1 8.0252 0.02 . 1 . . . . 143 VAL HN . 25154 1 25 . 1 1 9 9 VAL C C 13 176.2890 0.1 . 1 . . . . 143 VAL C . 25154 1 26 . 1 1 9 9 VAL CA C 13 62.3590 0.1 . 1 . . . . 143 VAL CA . 25154 1 27 . 1 1 9 9 VAL CB C 13 32.1230 0.1 . 1 . . . . 143 VAL CB . 25154 1 28 . 1 1 9 9 VAL N N 15 120.3751 0.1 . 1 . . . . 143 VAL N . 25154 1 29 . 1 1 10 10 SER H H 1 8.2285 0.02 . 1 . . . . 144 SER HN . 25154 1 30 . 1 1 10 10 SER C C 13 174.2390 0.1 . 1 . . . . 144 SER C . 25154 1 31 . 1 1 10 10 SER CA C 13 58.2730 0.1 . 1 . . . . 144 SER CA . 25154 1 32 . 1 1 10 10 SER CB C 13 63.4730 0.1 . 1 . . . . 144 SER CB . 25154 1 33 . 1 1 10 10 SER N N 15 118.4641 0.1 . 1 . . . . 144 SER N . 25154 1 34 . 1 1 11 11 ALA H H 1 8.1866 0.02 . 1 . . . . 145 ALA HN . 25154 1 35 . 1 1 11 11 ALA C C 13 177.6680 0.1 . 1 . . . . 145 ALA C . 25154 1 36 . 1 1 11 11 ALA CA C 13 52.2590 0.1 . 1 . . . . 145 ALA CA . 25154 1 37 . 1 1 11 11 ALA CB C 13 18.7410 0.1 . 1 . . . . 145 ALA CB . 25154 1 38 . 1 1 11 11 ALA N N 15 125.7736 0.1 . 1 . . . . 145 ALA N . 25154 1 39 . 1 1 12 12 VAL H H 1 7.9922 0.02 . 1 . . . . 146 VAL HN . 25154 1 40 . 1 1 12 12 VAL C C 13 176.1280 0.1 . 1 . . . . 146 VAL C . 25154 1 41 . 1 1 12 12 VAL CA C 13 62.1130 0.1 . 1 . . . . 146 VAL CA . 25154 1 42 . 1 1 12 12 VAL CB C 13 32.0400 0.1 . 1 . . . . 146 VAL CB . 25154 1 43 . 1 1 12 12 VAL N N 15 118.6983 0.1 . 1 . . . . 146 VAL N . 25154 1 44 . 1 1 13 13 CYS H H 1 8.3480 0.02 . 1 . . . . 147 CYS HN . 25154 1 45 . 1 1 13 13 CYS C C 13 174.4940 0.1 . 1 . . . . 147 CYS C . 25154 1 46 . 1 1 13 13 CYS CA C 13 58.3380 0.1 . 1 . . . . 147 CYS CA . 25154 1 47 . 1 1 13 13 CYS CB C 13 27.7280 0.1 . 1 . . . . 147 CYS CB . 25154 1 48 . 1 1 13 13 CYS N N 15 122.7884 0.1 . 1 . . . . 147 CYS N . 25154 1 49 . 1 1 14 14 GLU H H 1 8.4608 0.02 . 1 . . . . 148 GLU HN . 25154 1 50 . 1 1 14 14 GLU C C 13 176.2890 0.1 . 1 . . . . 148 GLU C . 25154 1 51 . 1 1 14 14 GLU CA C 13 56.3690 0.1 . 1 . . . . 148 GLU CA . 25154 1 52 . 1 1 14 14 GLU CB C 13 29.6610 0.1 . 1 . . . . 148 GLU CB . 25154 1 53 . 1 1 14 14 GLU N N 15 123.6304 0.1 . 1 . . . . 148 GLU N . 25154 1 54 . 1 1 15 15 GLU H H 1 8.3760 0.02 . 1 . . . . 149 GLU HN . 25154 1 55 . 1 1 15 15 GLU C C 13 176.5780 0.1 . 1 . . . . 149 GLU C . 25154 1 56 . 1 1 15 15 GLU CA C 13 56.4450 0.1 . 1 . . . . 149 GLU CA . 25154 1 57 . 1 1 15 15 GLU CB C 13 29.3500 0.1 . 1 . . . . 149 GLU CB . 25154 1 58 . 1 1 15 15 GLU N N 15 122.0927 0.1 . 1 . . . . 149 GLU N . 25154 1 59 . 1 1 16 16 LYS H H 1 8.2617 0.02 . 1 . . . . 150 LYS HN . 25154 1 60 . 1 1 16 16 LYS C C 13 176.4270 0.1 . 1 . . . . 150 LYS C . 25154 1 61 . 1 1 16 16 LYS CA C 13 56.1070 0.1 . 1 . . . . 150 LYS CA . 25154 1 62 . 1 1 16 16 LYS CB C 13 31.9850 0.1 . 1 . . . . 150 LYS CB . 25154 1 63 . 1 1 16 16 LYS N N 15 121.9805 0.1 . 1 . . . . 150 LYS N . 25154 1 64 . 1 1 17 17 LYS H H 1 8.1639 0.02 . 1 . . . . 151 LYS HN . 25154 1 65 . 1 1 17 17 LYS C C 13 175.9780 0.1 . 1 . . . . 151 LYS C . 25154 1 66 . 1 1 17 17 LYS CA C 13 55.4310 0.1 . 1 . . . . 151 LYS CA . 25154 1 67 . 1 1 17 17 LYS CB C 13 31.9170 0.1 . 1 . . . . 151 LYS CB . 25154 1 68 . 1 1 17 17 LYS N N 15 121.9878 0.1 . 1 . . . . 151 LYS N . 25154 1 69 . 1 1 18 18 LEU H H 1 8.1180 0.02 . 1 . . . . 152 LEU HN . 25154 1 70 . 1 1 18 18 LEU C C 13 177.2250 0.1 . 1 . . . . 152 LEU C . 25154 1 71 . 1 1 18 18 LEU CA C 13 53.8260 0.1 . 1 . . . . 152 LEU CA . 25154 1 72 . 1 1 18 18 LEU CB C 13 41.5480 0.1 . 1 . . . . 152 LEU CB . 25154 1 73 . 1 1 18 18 LEU N N 15 121.2647 0.1 . 1 . . . . 152 LEU N . 25154 1 74 . 1 1 19 19 ASN C C 13 176.3320 0.1 . 1 . . . . 153 ASN C . 25154 1 75 . 1 1 19 19 ASN CA C 13 52.2060 0.1 . 1 . . . . 153 ASN CA . 25154 1 76 . 1 1 19 19 ASN CB C 13 41.6000 0.1 . 1 . . . . 153 ASN CB . 25154 1 77 . 1 1 20 20 VAL H H 1 8.6586 0.02 . 1 . . . . 154 VAL HN . 25154 1 78 . 1 1 20 20 VAL C C 13 178.6070 0.1 . 1 . . . . 154 VAL C . 25154 1 79 . 1 1 20 20 VAL CA C 13 66.5220 0.1 . 1 . . . . 154 VAL CA . 25154 1 80 . 1 1 20 20 VAL CB C 13 31.4640 0.1 . 1 . . . . 154 VAL CB . 25154 1 81 . 1 1 20 20 VAL N N 15 120.4508 0.1 . 1 . . . . 154 VAL N . 25154 1 82 . 1 1 21 21 ALA H H 1 8.9435 0.02 . 1 . . . . 155 ALA HN . 25154 1 83 . 1 1 21 21 ALA C C 13 179.4180 0.1 . 1 . . . . 155 ALA C . 25154 1 84 . 1 1 21 21 ALA CA C 13 55.3410 0.1 . 1 . . . . 155 ALA CA . 25154 1 85 . 1 1 21 21 ALA CB C 13 19.9170 0.1 . 1 . . . . 155 ALA CB . 25154 1 86 . 1 1 21 21 ALA N N 15 119.4372 0.1 . 1 . . . . 155 ALA N . 25154 1 87 . 1 1 22 22 HIS H H 1 7.7688 0.02 . 1 . . . . 156 HIS HN . 25154 1 88 . 1 1 22 22 HIS C C 13 178.9470 0.1 . 1 . . . . 156 HIS C . 25154 1 89 . 1 1 22 22 HIS CA C 13 61.5590 0.1 . 1 . . . . 156 HIS CA . 25154 1 90 . 1 1 22 22 HIS CB C 13 30.6800 0.1 . 1 . . . . 156 HIS CB . 25154 1 91 . 1 1 22 22 HIS N N 15 115.1174 0.1 . 1 . . . . 156 HIS N . 25154 1 92 . 1 1 23 23 GLY H H 1 7.8045 0.02 . 1 . . . . 157 GLY HN . 25154 1 93 . 1 1 23 23 GLY C C 13 176.2750 0.1 . 1 . . . . 157 GLY C . 25154 1 94 . 1 1 23 23 GLY CA C 13 47.1900 0.1 . 1 . . . . 157 GLY CA . 25154 1 95 . 1 1 23 23 GLY N N 15 102.5332 0.1 . 1 . . . . 157 GLY N . 25154 1 96 . 1 1 24 24 LEU H H 1 8.3795 0.02 . 1 . . . . 158 LEU HN . 25154 1 97 . 1 1 24 24 LEU C C 13 177.9820 0.1 . 1 . . . . 158 LEU C . 25154 1 98 . 1 1 24 24 LEU CA C 13 57.5360 0.1 . 1 . . . . 158 LEU CA . 25154 1 99 . 1 1 24 24 LEU CB C 13 40.5030 0.1 . 1 . . . . 158 LEU CB . 25154 1 100 . 1 1 24 24 LEU N N 15 121.1368 0.1 . 1 . . . . 158 LEU N . 25154 1 101 . 1 1 25 25 ALA H H 1 8.5551 0.02 . 1 . . . . 159 ALA HN . 25154 1 102 . 1 1 25 25 ALA C C 13 178.8920 0.1 . 1 . . . . 159 ALA C . 25154 1 103 . 1 1 25 25 ALA CA C 13 55.4980 0.1 . 1 . . . . 159 ALA CA . 25154 1 104 . 1 1 25 25 ALA CB C 13 17.9830 0.1 . 1 . . . . 159 ALA CB . 25154 1 105 . 1 1 25 25 ALA N N 15 121.6717 0.1 . 1 . . . . 159 ALA N . 25154 1 106 . 1 1 26 26 TRP H H 1 8.1921 0.02 . 1 . . . . 160 TRP HN . 25154 1 107 . 1 1 26 26 TRP C C 13 179.0480 0.1 . 1 . . . . 160 TRP C . 25154 1 108 . 1 1 26 26 TRP CA C 13 62.2380 0.1 . 1 . . . . 160 TRP CA . 25154 1 109 . 1 1 26 26 TRP CB C 13 28.3810 0.1 . 1 . . . . 160 TRP CB . 25154 1 110 . 1 1 26 26 TRP N N 15 115.6952 0.1 . 1 . . . . 160 TRP N . 25154 1 111 . 1 1 27 27 SER H H 1 8.5731 0.02 . 1 . . . . 161 SER HN . 25154 1 112 . 1 1 27 27 SER C C 13 177.5440 0.1 . 1 . . . . 161 SER C . 25154 1 113 . 1 1 27 27 SER CA C 13 61.5070 0.1 . 1 . . . . 161 SER CA . 25154 1 114 . 1 1 27 27 SER CB C 13 62.9700 0.1 . 1 . . . . 161 SER CB . 25154 1 115 . 1 1 27 27 SER N N 15 113.8296 0.1 . 1 . . . . 161 SER N . 25154 1 116 . 1 1 28 28 TYR H H 1 8.3545 0.02 . 1 . . . . 162 TYR HN . 25154 1 117 . 1 1 28 28 TYR C C 13 177.5810 0.1 . 1 . . . . 162 TYR C . 25154 1 118 . 1 1 28 28 TYR CA C 13 59.9910 0.1 . 1 . . . . 162 TYR CA . 25154 1 119 . 1 1 28 28 TYR CB C 13 38.7260 0.1 . 1 . . . . 162 TYR CB . 25154 1 120 . 1 1 28 28 TYR N N 15 125.0948 0.1 . 1 . . . . 162 TYR N . 25154 1 121 . 1 1 29 29 TYR H H 1 8.1686 0.02 . 1 . . . . 163 TYR HN . 25154 1 122 . 1 1 29 29 TYR C C 13 175.6280 0.1 . 1 . . . . 163 TYR C . 25154 1 123 . 1 1 29 29 TYR CA C 13 61.3500 0.1 . 1 . . . . 163 TYR CA . 25154 1 124 . 1 1 29 29 TYR CB C 13 37.7860 0.1 . 1 . . . . 163 TYR CB . 25154 1 125 . 1 1 29 29 TYR N N 15 118.0554 0.1 . 1 . . . . 163 TYR N . 25154 1 126 . 1 1 30 30 ILE H H 1 9.0847 0.02 . 1 . . . . 164 ILE HN . 25154 1 127 . 1 1 30 30 ILE C C 13 176.5630 0.1 . 1 . . . . 164 ILE C . 25154 1 128 . 1 1 30 30 ILE CA C 13 61.4540 0.1 . 1 . . . . 164 ILE CA . 25154 1 129 . 1 1 30 30 ILE CB C 13 34.6510 0.1 . 1 . . . . 164 ILE CB . 25154 1 130 . 1 1 30 30 ILE N N 15 118.2462 0.1 . 1 . . . . 164 ILE N . 25154 1 131 . 1 1 31 31 GLY H H 1 7.8518 0.02 . 1 . . . . 165 GLY HN . 25154 1 132 . 1 1 31 31 GLY C C 13 172.1140 0.1 . 1 . . . . 165 GLY C . 25154 1 133 . 1 1 31 31 GLY CA C 13 42.5400 0.1 . 1 . . . . 165 GLY CA . 25154 1 134 . 1 1 31 31 GLY N N 15 103.2362 0.1 . 1 . . . . 165 GLY N . 25154 1 135 . 1 1 32 32 TYR H H 1 6.5711 0.02 . 1 . . . . 166 TYR HN . 25154 1 136 . 1 1 32 32 TYR C C 13 175.6010 0.1 . 1 . . . . 166 TYR C . 25154 1 137 . 1 1 32 32 TYR CA C 13 60.4090 0.1 . 1 . . . . 166 TYR CA . 25154 1 138 . 1 1 32 32 TYR CB C 13 38.5170 0.1 . 1 . . . . 166 TYR CB . 25154 1 139 . 1 1 32 32 TYR N N 15 113.9835 0.1 . 1 . . . . 166 TYR N . 25154 1 140 . 1 1 33 33 LEU H H 1 8.1577 0.02 . 1 . . . . 167 LEU HN . 25154 1 141 . 1 1 33 33 LEU C C 13 178.8450 0.1 . 1 . . . . 167 LEU C . 25154 1 142 . 1 1 33 33 LEU CA C 13 58.3190 0.1 . 1 . . . . 167 LEU CA . 25154 1 143 . 1 1 33 33 LEU CB C 13 39.7710 0.1 . 1 . . . . 167 LEU CB . 25154 1 144 . 1 1 33 33 LEU N N 15 120.9369 0.1 . 1 . . . . 167 LEU N . 25154 1 145 . 1 1 34 34 ARG H H 1 8.8299 0.02 . 1 . . . . 168 ARG HN . 25154 1 146 . 1 1 34 34 ARG C C 13 176.3960 0.1 . 1 . . . . 168 ARG C . 25154 1 147 . 1 1 34 34 ARG CA C 13 57.7970 0.1 . 1 . . . . 168 ARG CA . 25154 1 148 . 1 1 34 34 ARG CB C 13 29.0600 0.1 . 1 . . . . 168 ARG CB . 25154 1 149 . 1 1 34 34 ARG N N 15 115.8652 0.1 . 1 . . . . 168 ARG N . 25154 1 150 . 1 1 35 35 LEU H H 1 6.5924 0.02 . 1 . . . . 169 LEU HN . 25154 1 151 . 1 1 35 35 LEU C C 13 178.0640 0.1 . 1 . . . . 169 LEU C . 25154 1 152 . 1 1 35 35 LEU CA C 13 55.0800 0.1 . 1 . . . . 169 LEU CA . 25154 1 153 . 1 1 35 35 LEU CB C 13 40.3980 0.1 . 1 . . . . 169 LEU CB . 25154 1 154 . 1 1 35 35 LEU N N 15 112.5641 0.1 . 1 . . . . 169 LEU N . 25154 1 155 . 1 1 36 36 ILE H H 1 7.0830 0.02 . 1 . . . . 170 ILE HN . 25154 1 156 . 1 1 36 36 ILE C C 13 176.8890 0.1 . 1 . . . . 170 ILE C . 25154 1 157 . 1 1 36 36 ILE CA C 13 58.5280 0.1 . 1 . . . . 170 ILE CA . 25154 1 158 . 1 1 36 36 ILE CB C 13 39.2490 0.1 . 1 . . . . 170 ILE CB . 25154 1 159 . 1 1 36 36 ILE N N 15 115.9422 0.1 . 1 . . . . 170 ILE N . 25154 1 160 . 1 1 37 37 LEU H H 1 8.3191 0.02 . 1 . . . . 171 LEU HN . 25154 1 161 . 1 1 37 37 LEU C C 13 176.1880 0.1 . 1 . . . . 171 LEU C . 25154 1 162 . 1 1 37 37 LEU CA C 13 58.7900 0.1 . 1 . . . . 171 LEU CA . 25154 1 163 . 1 1 37 37 LEU CB C 13 37.5490 0.1 . 1 . . . . 171 LEU CB . 25154 1 164 . 1 1 37 37 LEU N N 15 120.8068 0.1 . 1 . . . . 171 LEU N . 25154 1 165 . 1 1 38 38 PRO C C 13 178.5120 0.1 . 1 . . . . 172 PRO C . 25154 1 166 . 1 1 38 38 PRO CA C 13 66.1570 0.1 . 1 . . . . 172 PRO CA . 25154 1 167 . 1 1 38 38 PRO CB C 13 29.8440 0.1 . 1 . . . . 172 PRO CB . 25154 1 168 . 1 1 39 39 GLY H H 1 7.7466 0.02 . 1 . . . . 173 GLY HN . 25154 1 169 . 1 1 39 39 GLY C C 13 176.0500 0.1 . 1 . . . . 173 GLY C . 25154 1 170 . 1 1 39 39 GLY CA C 13 44.4210 0.1 . 1 . . . . 173 GLY CA . 25154 1 171 . 1 1 39 39 GLY N N 15 103.2342 0.1 . 1 . . . . 173 GLY N . 25154 1 172 . 1 1 40 40 LEU H H 1 7.3585 0.02 . 1 . . . . 174 LEU HN . 25154 1 173 . 1 1 40 40 LEU C C 13 179.1720 0.1 . 1 . . . . 174 LEU C . 25154 1 174 . 1 1 40 40 LEU CA C 13 58.8420 0.1 . 1 . . . . 174 LEU CA . 25154 1 175 . 1 1 40 40 LEU CB C 13 41.9130 0.1 . 1 . . . . 174 LEU CB . 25154 1 176 . 1 1 40 40 LEU N N 15 122.3752 0.1 . 1 . . . . 174 LEU N . 25154 1 177 . 1 1 41 41 GLN H H 1 8.9539 0.02 . 1 . . . . 175 GLN HN . 25154 1 178 . 1 1 41 41 GLN HE21 H 1 7.4316 0.02 . 2 . . . . 175 GLN HE21 . 25154 1 179 . 1 1 41 41 GLN HE22 H 1 7.4560 0.02 . 2 . . . . 175 GLN HE22 . 25154 1 180 . 1 1 41 41 GLN C C 13 179.6570 0.1 . 1 . . . . 175 GLN C . 25154 1 181 . 1 1 41 41 GLN CA C 13 58.1100 0.1 . 1 . . . . 175 GLN CA . 25154 1 182 . 1 1 41 41 GLN CB C 13 25.6640 0.1 . 1 . . . . 175 GLN CB . 25154 1 183 . 1 1 41 41 GLN N N 15 115.1764 0.1 . 1 . . . . 175 GLN N . 25154 1 184 . 1 1 41 41 GLN NE2 N 15 113.8377 0.1 . 1 . . . . 175 GLN NE2 . 25154 1 185 . 1 1 42 42 ALA H H 1 8.4275 0.02 . 1 . . . . 176 ALA HN . 25154 1 186 . 1 1 42 42 ALA C C 13 181.1440 0.1 . 1 . . . . 176 ALA C . 25154 1 187 . 1 1 42 42 ALA CA C 13 54.9760 0.1 . 1 . . . . 176 ALA CA . 25154 1 188 . 1 1 42 42 ALA CB C 13 17.3040 0.1 . 1 . . . . 176 ALA CB . 25154 1 189 . 1 1 42 42 ALA N N 15 122.8470 0.1 . 1 . . . . 176 ALA N . 25154 1 190 . 1 1 43 43 ARG H H 1 7.4676 0.02 . 1 . . . . 177 ARG HN . 25154 1 191 . 1 1 43 43 ARG C C 13 179.2390 0.1 . 1 . . . . 177 ARG C . 25154 1 192 . 1 1 43 43 ARG CA C 13 58.9100 0.1 . 1 . . . . 177 ARG CA . 25154 1 193 . 1 1 43 43 ARG CB C 13 30.9510 0.1 . 1 . . . . 177 ARG CB . 25154 1 194 . 1 1 43 43 ARG N N 15 118.8500 0.1 . 1 . . . . 177 ARG N . 25154 1 195 . 1 1 44 44 ILE H H 1 8.4380 0.02 . 1 . . . . 178 ILE HN . 25154 1 196 . 1 1 44 44 ILE C C 13 177.6120 0.1 . 1 . . . . 178 ILE C . 25154 1 197 . 1 1 44 44 ILE CA C 13 65.5770 0.1 . 1 . . . . 178 ILE CA . 25154 1 198 . 1 1 44 44 ILE CB C 13 37.1530 0.1 . 1 . . . . 178 ILE CB . 25154 1 199 . 1 1 44 44 ILE N N 15 121.8174 0.1 . 1 . . . . 178 ILE N . 25154 1 200 . 1 1 45 45 ARG H H 1 8.4404 0.02 . 1 . . . . 179 ARG HN . 25154 1 201 . 1 1 45 45 ARG C C 13 180.0250 0.1 . 1 . . . . 179 ARG C . 25154 1 202 . 1 1 45 45 ARG CA C 13 59.7370 0.1 . 1 . . . . 179 ARG CA . 25154 1 203 . 1 1 45 45 ARG CB C 13 28.8840 0.1 . 1 . . . . 179 ARG CB . 25154 1 204 . 1 1 45 45 ARG N N 15 120.4515 0.1 . 1 . . . . 179 ARG N . 25154 1 205 . 1 1 46 46 MET H H 1 7.7292 0.02 . 1 . . . . 180 MET HN . 25154 1 206 . 1 1 46 46 MET C C 13 178.5020 0.1 . 1 . . . . 180 MET C . 25154 1 207 . 1 1 46 46 MET CA C 13 58.0830 0.1 . 1 . . . . 180 MET CA . 25154 1 208 . 1 1 46 46 MET CB C 13 32.0880 0.1 . 1 . . . . 180 MET CB . 25154 1 209 . 1 1 46 46 MET N N 15 118.3568 0.1 . 1 . . . . 180 MET N . 25154 1 210 . 1 1 47 47 PHE H H 1 8.5998 0.02 . 1 . . . . 181 PHE HN . 25154 1 211 . 1 1 47 47 PHE C C 13 178.5280 0.1 . 1 . . . . 181 PHE C . 25154 1 212 . 1 1 47 47 PHE CA C 13 61.7010 0.1 . 1 . . . . 181 PHE CA . 25154 1 213 . 1 1 47 47 PHE CB C 13 39.3230 0.1 . 1 . . . . 181 PHE CB . 25154 1 214 . 1 1 47 47 PHE N N 15 120.8184 0.1 . 1 . . . . 181 PHE N . 25154 1 215 . 1 1 48 48 ASN H H 1 9.1283 0.02 . 1 . . . . 182 ASN HN . 25154 1 216 . 1 1 48 48 ASN C C 13 178.5900 0.1 . 1 . . . . 182 ASN C . 25154 1 217 . 1 1 48 48 ASN CA C 13 55.0340 0.1 . 1 . . . . 182 ASN CA . 25154 1 218 . 1 1 48 48 ASN CB C 13 37.2560 0.1 . 1 . . . . 182 ASN CB . 25154 1 219 . 1 1 48 48 ASN N N 15 118.7437 0.1 . 1 . . . . 182 ASN N . 25154 1 220 . 1 1 49 49 GLN H H 1 7.9250 0.02 . 1 . . . . 183 GLN HN . 25154 1 221 . 1 1 49 49 GLN HE21 H 1 7.3603 0.02 . 2 . . . . 183 GLN HE21 . 25154 1 222 . 1 1 49 49 GLN HE22 H 1 6.7667 0.02 . 2 . . . . 183 GLN HE22 . 25154 1 223 . 1 1 49 49 GLN C C 13 178.1870 0.1 . 1 . . . . 183 GLN C . 25154 1 224 . 1 1 49 49 GLN CA C 13 57.9280 0.1 . 1 . . . . 183 GLN CA . 25154 1 225 . 1 1 49 49 GLN CB C 13 27.5920 0.1 . 1 . . . . 183 GLN CB . 25154 1 226 . 1 1 49 49 GLN N N 15 119.9303 0.1 . 1 . . . . 183 GLN N . 25154 1 227 . 1 1 49 49 GLN NE2 N 15 110.5247 0.1 . 1 . . . . 183 GLN NE2 . 25154 1 228 . 1 1 50 50 LEU H H 1 7.3383 0.02 . 1 . . . . 184 LEU HN . 25154 1 229 . 1 1 50 50 LEU C C 13 177.8430 0.1 . 1 . . . . 184 LEU C . 25154 1 230 . 1 1 50 50 LEU CA C 13 55.1890 0.1 . 1 . . . . 184 LEU CA . 25154 1 231 . 1 1 50 50 LEU CB C 13 42.3210 0.1 . 1 . . . . 184 LEU CB . 25154 1 232 . 1 1 50 50 LEU N N 15 117.8739 0.1 . 1 . . . . 184 LEU N . 25154 1 233 . 1 1 51 51 HIS H H 1 7.6080 0.02 . 1 . . . . 185 HIS HN . 25154 1 234 . 1 1 51 51 HIS C C 13 174.9610 0.1 . 1 . . . . 185 HIS C . 25154 1 235 . 1 1 51 51 HIS CA C 13 54.2590 0.1 . 1 . . . . 185 HIS CA . 25154 1 236 . 1 1 51 51 HIS CB C 13 27.5920 0.1 . 1 . . . . 185 HIS CB . 25154 1 237 . 1 1 51 51 HIS N N 15 115.5727 0.1 . 1 . . . . 185 HIS N . 25154 1 238 . 1 1 52 52 ASN H H 1 8.4421 0.02 . 1 . . . . 186 ASN HN . 25154 1 239 . 1 1 52 52 ASN HD21 H 1 7.6196 0.02 . 2 . . . . 186 ASN HD21 . 25154 1 240 . 1 1 52 52 ASN HD22 H 1 6.8660 0.02 . 2 . . . . 186 ASN HD22 . 25154 1 241 . 1 1 52 52 ASN C C 13 175.1330 0.1 . 1 . . . . 186 ASN C . 25154 1 242 . 1 1 52 52 ASN CA C 13 54.0520 0.1 . 1 . . . . 186 ASN CA . 25154 1 243 . 1 1 52 52 ASN CB C 13 36.7390 0.1 . 1 . . . . 186 ASN CB . 25154 1 244 . 1 1 52 52 ASN N N 15 117.7157 0.1 . 1 . . . . 186 ASN N . 25154 1 245 . 1 1 52 52 ASN ND2 N 15 113.2029 0.1 . 1 . . . . 186 ASN ND2 . 25154 1 246 . 1 1 53 53 ASN H H 1 9.2335 0.02 . 1 . . . . 187 ASN HN . 25154 1 247 . 1 1 53 53 ASN HD21 H 1 7.4399 0.02 . 2 . . . . 187 ASN HD21 . 25154 1 248 . 1 1 53 53 ASN HD22 H 1 6.7060 0.02 . 2 . . . . 187 ASN HD22 . 25154 1 249 . 1 1 53 53 ASN C C 13 175.8440 0.1 . 1 . . . . 187 ASN C . 25154 1 250 . 1 1 53 53 ASN CA C 13 53.7940 0.1 . 1 . . . . 187 ASN CA . 25154 1 251 . 1 1 53 53 ASN CB C 13 36.7220 0.1 . 1 . . . . 187 ASN CB . 25154 1 252 . 1 1 53 53 ASN N N 15 111.5512 0.1 . 1 . . . . 187 ASN N . 25154 1 253 . 1 1 53 53 ASN ND2 N 15 111.5826 0.1 . 1 . . . . 187 ASN ND2 . 25154 1 254 . 1 1 54 54 MET H H 1 6.8368 0.02 . 1 . . . . 188 MET HN . 25154 1 255 . 1 1 54 54 MET C C 13 177.4160 0.1 . 1 . . . . 188 MET C . 25154 1 256 . 1 1 54 54 MET CA C 13 58.9130 0.1 . 1 . . . . 188 MET CA . 25154 1 257 . 1 1 54 54 MET CB C 13 34.4940 0.1 . 1 . . . . 188 MET CB . 25154 1 258 . 1 1 54 54 MET N N 15 114.5298 0.1 . 1 . . . . 188 MET N . 25154 1 259 . 1 1 55 55 LEU H H 1 8.8838 0.02 . 1 . . . . 189 LEU HN . 25154 1 260 . 1 1 55 55 LEU C C 13 176.3650 0.1 . 1 . . . . 189 LEU C . 25154 1 261 . 1 1 55 55 LEU CA C 13 52.4810 0.1 . 1 . . . . 189 LEU CA . 25154 1 262 . 1 1 55 55 LEU CB C 13 37.9460 0.1 . 1 . . . . 189 LEU CB . 25154 1 263 . 1 1 55 55 LEU N N 15 117.0724 0.1 . 1 . . . . 189 LEU N . 25154 1 264 . 1 1 56 56 SER H H 1 7.4002 0.02 . 1 . . . . 190 SER HN . 25154 1 265 . 1 1 56 56 SER C C 13 176.0240 0.1 . 1 . . . . 190 SER C . 25154 1 266 . 1 1 56 56 SER CA C 13 58.9130 0.1 . 1 . . . . 190 SER CA . 25154 1 267 . 1 1 56 56 SER CB C 13 63.8190 0.1 . 1 . . . . 190 SER CB . 25154 1 268 . 1 1 56 56 SER N N 15 115.2331 0.1 . 1 . . . . 190 SER N . 25154 1 269 . 1 1 57 57 GLY H H 1 8.3723 0.02 . 1 . . . . 191 GLY HN . 25154 1 270 . 1 1 57 57 GLY C C 13 175.1410 0.1 . 1 . . . . 191 GLY C . 25154 1 271 . 1 1 57 57 GLY CA C 13 43.9780 0.1 . 1 . . . . 191 GLY CA . 25154 1 272 . 1 1 57 57 GLY N N 15 110.8699 0.1 . 1 . . . . 191 GLY N . 25154 1 273 . 1 1 58 58 ALA H H 1 8.8533 0.02 . 1 . . . . 192 ALA HN . 25154 1 274 . 1 1 58 58 ALA C C 13 180.9190 0.1 . 1 . . . . 192 ALA C . 25154 1 275 . 1 1 58 58 ALA CA C 13 55.1380 0.1 . 1 . . . . 192 ALA CA . 25154 1 276 . 1 1 58 58 ALA CB C 13 17.8760 0.1 . 1 . . . . 192 ALA CB . 25154 1 277 . 1 1 58 58 ALA N N 15 125.0722 0.1 . 1 . . . . 192 ALA N . 25154 1 278 . 1 1 59 59 GLY H H 1 8.9457 0.02 . 1 . . . . 193 GLY HN . 25154 1 279 . 1 1 59 59 GLY C C 13 176.5050 0.1 . 1 . . . . 193 GLY C . 25154 1 280 . 1 1 59 59 GLY CA C 13 45.7830 0.1 . 1 . . . . 193 GLY CA . 25154 1 281 . 1 1 59 59 GLY N N 15 104.0055 0.1 . 1 . . . . 193 GLY N . 25154 1 282 . 1 1 60 60 SER H H 1 7.8132 0.02 . 1 . . . . 194 SER HN . 25154 1 283 . 1 1 60 60 SER C C 13 175.2930 0.1 . 1 . . . . 194 SER C . 25154 1 284 . 1 1 60 60 SER CA C 13 59.6850 0.1 . 1 . . . . 194 SER CA . 25154 1 285 . 1 1 60 60 SER CB C 13 63.6650 0.1 . 1 . . . . 194 SER CB . 25154 1 286 . 1 1 60 60 SER N N 15 114.8686 0.1 . 1 . . . . 194 SER N . 25154 1 287 . 1 1 61 61 ARG H H 1 7.5103 0.02 . 1 . . . . 195 ARG HN . 25154 1 288 . 1 1 61 61 ARG C C 13 173.8040 0.1 . 1 . . . . 195 ARG C . 25154 1 289 . 1 1 61 61 ARG CA C 13 54.8620 0.1 . 1 . . . . 195 ARG CA . 25154 1 290 . 1 1 61 61 ARG CB C 13 28.2980 0.1 . 1 . . . . 195 ARG CB . 25154 1 291 . 1 1 61 61 ARG N N 15 120.3165 0.1 . 1 . . . . 195 ARG N . 25154 1 292 . 1 1 62 62 ARG H H 1 6.5448 0.02 . 1 . . . . 196 ARG HN . 25154 1 293 . 1 1 62 62 ARG C C 13 173.3640 0.1 . 1 . . . . 196 ARG C . 25154 1 294 . 1 1 62 62 ARG CA C 13 53.5180 0.1 . 1 . . . . 196 ARG CA . 25154 1 295 . 1 1 62 62 ARG CB C 13 31.4510 0.1 . 1 . . . . 196 ARG CB . 25154 1 296 . 1 1 62 62 ARG N N 15 111.9118 0.1 . 1 . . . . 196 ARG N . 25154 1 297 . 1 1 63 63 LEU H H 1 8.0926 0.02 . 1 . . . . 197 LEU HN . 25154 1 298 . 1 1 63 63 LEU C C 13 174.1760 0.1 . 1 . . . . 197 LEU C . 25154 1 299 . 1 1 63 63 LEU CA C 13 54.3450 0.1 . 1 . . . . 197 LEU CA . 25154 1 300 . 1 1 63 63 LEU CB C 13 42.1490 0.1 . 1 . . . . 197 LEU CB . 25154 1 301 . 1 1 63 63 LEU N N 15 122.3124 0.1 . 1 . . . . 197 LEU N . 25154 1 302 . 1 1 64 64 TYR H H 1 8.2326 0.02 . 1 . . . . 198 TYR HN . 25154 1 303 . 1 1 64 64 TYR C C 13 174.2780 0.1 . 1 . . . . 198 TYR C . 25154 1 304 . 1 1 64 64 TYR CA C 13 58.1180 0.1 . 1 . . . . 198 TYR CA . 25154 1 305 . 1 1 64 64 TYR CB C 13 38.1690 0.1 . 1 . . . . 198 TYR CB . 25154 1 306 . 1 1 64 64 TYR N N 15 127.0737 0.1 . 1 . . . . 198 TYR N . 25154 1 307 . 1 1 65 65 ILE H H 1 8.4664 0.02 . 1 . . . . 199 ILE HN . 25154 1 308 . 1 1 65 65 ILE C C 13 175.8440 0.1 . 1 . . . . 199 ILE C . 25154 1 309 . 1 1 65 65 ILE CA C 13 58.3760 0.1 . 1 . . . . 199 ILE CA . 25154 1 310 . 1 1 65 65 ILE CB C 13 38.5310 0.1 . 1 . . . . 199 ILE CB . 25154 1 311 . 1 1 65 65 ILE N N 15 122.6331 0.1 . 1 . . . . 199 ILE N . 25154 1 312 . 1 1 66 66 LEU H H 1 9.0490 0.02 . 1 . . . . 200 LEU HN . 25154 1 313 . 1 1 66 66 LEU C C 13 176.3460 0.1 . 1 . . . . 200 LEU C . 25154 1 314 . 1 1 66 66 LEU CA C 13 54.7910 0.1 . 1 . . . . 200 LEU CA . 25154 1 315 . 1 1 66 66 LEU CB C 13 42.2710 0.1 . 1 . . . . 200 LEU CB . 25154 1 316 . 1 1 66 66 LEU N N 15 126.9216 0.1 . 1 . . . . 200 LEU N . 25154 1 317 . 1 1 67 67 PHE H H 1 9.2049 0.02 . 1 . . . . 201 PHE HN . 25154 1 318 . 1 1 67 67 PHE C C 13 176.1120 0.1 . 1 . . . . 201 PHE C . 25154 1 319 . 1 1 67 67 PHE CA C 13 54.8680 0.1 . 1 . . . . 201 PHE CA . 25154 1 320 . 1 1 67 67 PHE CB C 13 40.7210 0.1 . 1 . . . . 201 PHE CB . 25154 1 321 . 1 1 67 67 PHE N N 15 122.3644 0.1 . 1 . . . . 201 PHE N . 25154 1 322 . 1 1 68 68 PRO C C 13 179.1200 0.1 . 1 . . . . 202 PRO C . 25154 1 323 . 1 1 68 68 PRO CA C 13 60.2560 0.1 . 1 . . . . 202 PRO CA . 25154 1 324 . 1 1 68 68 PRO CB C 13 30.5270 0.1 . 1 . . . . 202 PRO CB . 25154 1 325 . 1 1 69 69 LEU H H 1 8.5667 0.02 . 1 . . . . 203 LEU HN . 25154 1 326 . 1 1 69 69 LEU C C 13 177.1510 0.1 . 1 . . . . 203 LEU C . 25154 1 327 . 1 1 69 69 LEU CA C 13 56.5740 0.1 . 1 . . . . 203 LEU CA . 25154 1 328 . 1 1 69 69 LEU CB C 13 40.9530 0.1 . 1 . . . . 203 LEU CB . 25154 1 329 . 1 1 69 69 LEU N N 15 125.5016 0.1 . 1 . . . . 203 LEU N . 25154 1 330 . 1 1 70 70 ASP H H 1 7.8595 0.02 . 1 . . . . 204 ASP HN . 25154 1 331 . 1 1 70 70 ASP C C 13 176.6610 0.1 . 1 . . . . 204 ASP C . 25154 1 332 . 1 1 70 70 ASP CA C 13 53.7440 0.1 . 1 . . . . 204 ASP CA . 25154 1 333 . 1 1 70 70 ASP CB C 13 40.1400 0.1 . 1 . . . . 204 ASP CB . 25154 1 334 . 1 1 70 70 ASP N N 15 112.6701 0.1 . 1 . . . . 204 ASP N . 25154 1 335 . 1 1 71 71 CYS H H 1 8.3381 0.02 . 1 . . . . 205 CYS HN . 25154 1 336 . 1 1 71 71 CYS C C 13 172.9190 0.1 . 1 . . . . 205 CYS C . 25154 1 337 . 1 1 71 71 CYS CA C 13 60.2170 0.1 . 1 . . . . 205 CYS CA . 25154 1 338 . 1 1 71 71 CYS CB C 13 25.2940 0.1 . 1 . . . . 205 CYS CB . 25154 1 339 . 1 1 71 71 CYS N N 15 109.7838 0.1 . 1 . . . . 205 CYS N . 25154 1 340 . 1 1 72 72 GLY H H 1 7.9874 0.02 . 1 . . . . 206 GLY HN . 25154 1 341 . 1 1 72 72 GLY C C 13 174.2820 0.1 . 1 . . . . 206 GLY C . 25154 1 342 . 1 1 72 72 GLY CA C 13 45.3720 0.1 . 1 . . . . 206 GLY CA . 25154 1 343 . 1 1 72 72 GLY N N 15 107.4611 0.1 . 1 . . . . 206 GLY N . 25154 1 344 . 1 1 73 73 VAL H H 1 7.5761 0.02 . 1 . . . . 207 VAL HN . 25154 1 345 . 1 1 73 73 VAL N N 15 123.1491 0.1 . 1 . . . . 207 VAL N . 25154 1 346 . 1 1 78 78 SER C C 13 179.8490 0.1 . 1 . . . . 212 SER C . 25154 1 347 . 1 1 78 78 SER CB C 13 67.6770 0.1 . 1 . . . . 212 SER CB . 25154 1 348 . 1 1 79 79 VAL H H 1 7.1385 0.02 . 1 . . . . 213 VAL HN . 25154 1 349 . 1 1 79 79 VAL C C 13 179.4230 0.1 . 1 . . . . 213 VAL C . 25154 1 350 . 1 1 79 79 VAL CA C 13 58.7250 0.1 . 1 . . . . 213 VAL CA . 25154 1 351 . 1 1 79 79 VAL CB C 13 28.4590 0.1 . 1 . . . . 213 VAL CB . 25154 1 352 . 1 1 79 79 VAL N N 15 119.3138 0.1 . 1 . . . . 213 VAL N . 25154 1 353 . 1 1 80 80 VAL H H 1 8.0419 0.02 . 1 . . . . 214 VAL HN . 25154 1 354 . 1 1 80 80 VAL C C 13 179.6650 0.1 . 1 . . . . 214 VAL C . 25154 1 355 . 1 1 80 80 VAL CA C 13 58.9380 0.1 . 1 . . . . 214 VAL CA . 25154 1 356 . 1 1 80 80 VAL CB C 13 28.5650 0.1 . 1 . . . . 214 VAL CB . 25154 1 357 . 1 1 80 80 VAL N N 15 116.2472 0.1 . 1 . . . . 214 VAL N . 25154 1 358 . 1 1 82 82 PRO C C 13 177.3670 0.1 . 1 . . . . 216 PRO C . 25154 1 359 . 1 1 82 82 PRO CA C 13 64.0530 0.1 . 1 . . . . 216 PRO CA . 25154 1 360 . 1 1 82 82 PRO CB C 13 30.9630 0.1 . 1 . . . . 216 PRO CB . 25154 1 361 . 1 1 83 83 ASN H H 1 8.8952 0.02 . 1 . . . . 217 ASN HN . 25154 1 362 . 1 1 83 83 ASN C C 13 173.6720 0.1 . 1 . . . . 217 ASN C . 25154 1 363 . 1 1 83 83 ASN CA C 13 52.9170 0.1 . 1 . . . . 217 ASN CA . 25154 1 364 . 1 1 83 83 ASN CB C 13 38.5830 0.1 . 1 . . . . 217 ASN CB . 25154 1 365 . 1 1 83 83 ASN N N 15 114.9278 0.1 . 1 . . . . 217 ASN N . 25154 1 366 . 1 1 84 84 ILE H H 1 7.9273 0.02 . 1 . . . . 218 ILE HN . 25154 1 367 . 1 1 84 84 ILE C C 13 174.6300 0.1 . 1 . . . . 218 ILE C . 25154 1 368 . 1 1 84 84 ILE CA C 13 61.4960 0.1 . 1 . . . . 218 ILE CA . 25154 1 369 . 1 1 84 84 ILE CB C 13 37.6770 0.1 . 1 . . . . 218 ILE CB . 25154 1 370 . 1 1 84 84 ILE N N 15 120.3212 0.1 . 1 . . . . 218 ILE N . 25154 1 371 . 1 1 85 85 ARG H H 1 9.2055 0.02 . 1 . . . . 219 ARG HN . 25154 1 372 . 1 1 85 85 ARG C C 13 175.5250 0.1 . 1 . . . . 219 ARG C . 25154 1 373 . 1 1 85 85 ARG CA C 13 53.7690 0.1 . 1 . . . . 219 ARG CA . 25154 1 374 . 1 1 85 85 ARG CB C 13 32.1890 0.1 . 1 . . . . 219 ARG CB . 25154 1 375 . 1 1 85 85 ARG N N 15 125.2026 0.1 . 1 . . . . 219 ARG N . 25154 1 376 . 1 1 86 86 PHE H H 1 9.2883 0.02 . 1 . . . . 220 PHE HN . 25154 1 377 . 1 1 86 86 PHE C C 13 174.5480 0.1 . 1 . . . . 220 PHE C . 25154 1 378 . 1 1 86 86 PHE CA C 13 59.9500 0.1 . 1 . . . . 220 PHE CA . 25154 1 379 . 1 1 86 86 PHE CB C 13 38.2630 0.1 . 1 . . . . 220 PHE CB . 25154 1 380 . 1 1 86 86 PHE N N 15 127.9178 0.1 . 1 . . . . 220 PHE N . 25154 1 381 . 1 1 87 87 ARG H H 1 8.3006 0.02 . 1 . . . . 221 ARG HN . 25154 1 382 . 1 1 87 87 ARG C C 13 174.0160 0.1 . 1 . . . . 221 ARG C . 25154 1 383 . 1 1 87 87 ARG CA C 13 54.7280 0.1 . 1 . . . . 221 ARG CA . 25154 1 384 . 1 1 87 87 ARG CB C 13 30.8030 0.1 . 1 . . . . 221 ARG CB . 25154 1 385 . 1 1 87 87 ARG N N 15 126.3976 0.1 . 1 . . . . 221 ARG N . 25154 1 386 . 1 1 88 88 ASP H H 1 7.0017 0.02 . 1 . . . . 222 ASP HN . 25154 1 387 . 1 1 88 88 ASP C C 13 173.6440 0.1 . 1 . . . . 222 ASP C . 25154 1 388 . 1 1 88 88 ASP CA C 13 52.9170 0.1 . 1 . . . . 222 ASP CA . 25154 1 389 . 1 1 88 88 ASP CB C 13 43.6980 0.1 . 1 . . . . 222 ASP CB . 25154 1 390 . 1 1 88 88 ASP N N 15 114.9192 0.1 . 1 . . . . 222 ASP N . 25154 1 391 . 1 1 89 89 MET H H 1 9.7121 0.02 . 1 . . . . 223 MET HN . 25154 1 392 . 1 1 89 89 MET C C 13 177.4210 0.1 . 1 . . . . 223 MET C . 25154 1 393 . 1 1 89 89 MET CA C 13 53.6630 0.1 . 1 . . . . 223 MET CA . 25154 1 394 . 1 1 89 89 MET CB C 13 33.8400 0.1 . 1 . . . . 223 MET CB . 25154 1 395 . 1 1 89 89 MET N N 15 116.6594 0.1 . 1 . . . . 223 MET N . 25154 1 396 . 1 1 90 90 LEU H H 1 7.8286 0.02 . 1 . . . . 224 LEU HN . 25154 1 397 . 1 1 90 90 LEU C C 13 176.0500 0.1 . 1 . . . . 224 LEU C . 25154 1 398 . 1 1 90 90 LEU CA C 13 53.6630 0.1 . 1 . . . . 224 LEU CA . 25154 1 399 . 1 1 90 90 LEU CB C 13 40.9810 0.1 . 1 . . . . 224 LEU CB . 25154 1 400 . 1 1 90 90 LEU N N 15 116.9453 0.1 . 1 . . . . 224 LEU N . 25154 1 401 . 1 1 91 91 PRO C C 13 176.9570 0.1 . 1 . . . . 225 PRO C . 25154 1 402 . 1 1 91 91 PRO CA C 13 63.4140 0.1 . 1 . . . . 225 PRO CA . 25154 1 403 . 1 1 91 91 PRO CB C 13 31.2290 0.1 . 1 . . . . 225 PRO CB . 25154 1 404 . 1 1 92 92 GLN H H 1 8.8956 0.02 . 1 . . . . 226 GLN HN . 25154 1 405 . 1 1 92 92 GLN HE21 H 1 7.7856 0.02 . 2 . . . . 226 GLN HE21 . 25154 1 406 . 1 1 92 92 GLN HE22 H 1 6.8528 0.02 . 2 . . . . 226 GLN HE22 . 25154 1 407 . 1 1 92 92 GLN C C 13 174.7010 0.1 . 1 . . . . 226 GLN C . 25154 1 408 . 1 1 92 92 GLN CA C 13 56.2740 0.1 . 1 . . . . 226 GLN CA . 25154 1 409 . 1 1 92 92 GLN CB C 13 28.5120 0.1 . 1 . . . . 226 GLN CB . 25154 1 410 . 1 1 92 92 GLN N N 15 123.6194 0.1 . 1 . . . . 226 GLN N . 25154 1 411 . 1 1 92 92 GLN NE2 N 15 112.7346 0.1 . 1 . . . . 226 GLN NE2 . 25154 1 412 . 1 1 93 93 GLN H H 1 8.8326 0.02 . 1 . . . . 227 GLN HN . 25154 1 413 . 1 1 93 93 GLN C C 13 174.1640 0.1 . 1 . . . . 227 GLN C . 25154 1 414 . 1 1 93 93 GLN CA C 13 53.1300 0.1 . 1 . . . . 227 GLN CA . 25154 1 415 . 1 1 93 93 GLN CB C 13 30.3770 0.1 . 1 . . . . 227 GLN CB . 25154 1 416 . 1 1 93 93 GLN N N 15 119.2163 0.1 . 1 . . . . 227 GLN N . 25154 1 417 . 1 1 94 94 ASN H H 1 9.1007 0.02 . 1 . . . . 228 ASN HN . 25154 1 418 . 1 1 94 94 ASN HD21 H 1 7.4835 0.02 . 2 . . . . 228 ASN HD21 . 25154 1 419 . 1 1 94 94 ASN HD22 H 1 6.7821 0.02 . 2 . . . . 228 ASN HD22 . 25154 1 420 . 1 1 94 94 ASN C C 13 176.0030 0.1 . 1 . . . . 228 ASN C . 25154 1 421 . 1 1 94 94 ASN CA C 13 53.2900 0.1 . 1 . . . . 228 ASN CA . 25154 1 422 . 1 1 94 94 ASN CB C 13 38.5830 0.1 . 1 . . . . 228 ASN CB . 25154 1 423 . 1 1 94 94 ASN N N 15 127.7968 0.1 . 1 . . . . 228 ASN N . 25154 1 424 . 1 1 94 94 ASN ND2 N 15 111.3143 0.1 . 1 . . . . 228 ASN ND2 . 25154 1 425 . 1 1 95 95 ILE C C 13 174.1980 0.1 . 1 . . . . 229 ILE C . 25154 1 426 . 1 1 95 95 ILE CA C 13 58.6180 0.1 . 1 . . . . 229 ILE CA . 25154 1 427 . 1 1 95 95 ILE CB C 13 36.8780 0.1 . 1 . . . . 229 ILE CB . 25154 1 428 . 1 1 96 96 ASP H H 1 8.3839 0.02 . 1 . . . . 230 ASP HN . 25154 1 429 . 1 1 96 96 ASP C C 13 175.5560 0.1 . 1 . . . . 230 ASP C . 25154 1 430 . 1 1 96 96 ASP CA C 13 53.2900 0.1 . 1 . . . . 230 ASP CA . 25154 1 431 . 1 1 96 96 ASP CB C 13 41.7800 0.1 . 1 . . . . 230 ASP CB . 25154 1 432 . 1 1 96 96 ASP N N 15 127.0512 0.1 . 1 . . . . 230 ASP N . 25154 1 433 . 1 1 98 98 ALA C C 13 177.6930 0.1 . 1 . . . . 232 ALA C . 25154 1 434 . 1 1 99 99 GLY H H 1 8.4745 0.02 . 1 . . . . 233 GLY HN . 25154 1 435 . 1 1 99 99 GLY C C 13 172.9430 0.1 . 1 . . . . 233 GLY C . 25154 1 436 . 1 1 99 99 GLY CA C 13 45.0300 0.1 . 1 . . . . 233 GLY CA . 25154 1 437 . 1 1 99 99 GLY N N 15 104.9136 0.1 . 1 . . . . 233 GLY N . 25154 1 438 . 1 1 100 100 ILE H H 1 7.9509 0.02 . 1 . . . . 234 ILE HN . 25154 1 439 . 1 1 100 100 ILE C C 13 179.5640 0.1 . 1 . . . . 234 ILE C . 25154 1 440 . 1 1 100 100 ILE CB C 13 40.3410 0.1 . 1 . . . . 234 ILE CB . 25154 1 441 . 1 1 100 100 ILE N N 15 123.8120 0.1 . 1 . . . . 234 ILE N . 25154 1 442 . 1 1 104 104 VAL C C 13 175.0320 0.1 . 1 . . . . 238 VAL C . 25154 1 443 . 1 1 104 104 VAL CA C 13 61.4420 0.1 . 1 . . . . 238 VAL CA . 25154 1 444 . 1 1 104 104 VAL CB C 13 33.7340 0.1 . 1 . . . . 238 VAL CB . 25154 1 445 . 1 1 105 105 TYR H H 1 8.8514 0.02 . 1 . . . . 239 TYR HN . 25154 1 446 . 1 1 105 105 TYR C C 13 175.6940 0.1 . 1 . . . . 239 TYR C . 25154 1 447 . 1 1 105 105 TYR CA C 13 56.2740 0.1 . 1 . . . . 239 TYR CA . 25154 1 448 . 1 1 105 105 TYR CB C 13 41.8330 0.1 . 1 . . . . 239 TYR CB . 25154 1 449 . 1 1 105 105 TYR N N 15 123.5153 0.1 . 1 . . . . 239 TYR N . 25154 1 450 . 1 1 106 106 SER H H 1 8.1761 0.02 . 1 . . . . 240 SER HN . 25154 1 451 . 1 1 106 106 SER C C 13 174.0190 0.1 . 1 . . . . 240 SER C . 25154 1 452 . 1 1 106 106 SER CA C 13 56.1670 0.1 . 1 . . . . 240 SER CA . 25154 1 453 . 1 1 106 106 SER CB C 13 65.3320 0.1 . 1 . . . . 240 SER CB . 25154 1 454 . 1 1 106 106 SER N N 15 112.3031 0.1 . 1 . . . . 240 SER N . 25154 1 455 . 1 1 107 107 ASN H H 1 8.6526 0.02 . 1 . . . . 241 ASN HN . 25154 1 456 . 1 1 107 107 ASN C C 13 173.2340 0.1 . 1 . . . . 241 ASN C . 25154 1 457 . 1 1 107 107 ASN CA C 13 53.7690 0.1 . 1 . . . . 241 ASN CA . 25154 1 458 . 1 1 107 107 ASN CB C 13 42.5790 0.1 . 1 . . . . 241 ASN CB . 25154 1 459 . 1 1 107 107 ASN N N 15 115.3600 0.1 . 1 . . . . 241 ASN N . 25154 1 460 . 1 1 108 108 SER H H 1 9.6525 0.02 . 1 . . . . 242 SER HN . 25154 1 461 . 1 1 108 108 SER C C 13 170.5700 0.1 . 1 . . . . 242 SER C . 25154 1 462 . 1 1 108 108 SER CA C 13 60.0040 0.1 . 1 . . . . 242 SER CA . 25154 1 463 . 1 1 108 108 SER CB C 13 66.6110 0.1 . 1 . . . . 242 SER CB . 25154 1 464 . 1 1 108 108 SER N N 15 120.0037 0.1 . 1 . . . . 242 SER N . 25154 1 465 . 1 1 109 109 VAL H H 1 8.5881 0.02 . 1 . . . . 243 VAL HN . 25154 1 466 . 1 1 109 109 VAL C C 13 174.8180 0.1 . 1 . . . . 243 VAL C . 25154 1 467 . 1 1 109 109 VAL CA C 13 60.5360 0.1 . 1 . . . . 243 VAL CA . 25154 1 468 . 1 1 109 109 VAL CB C 13 31.6560 0.1 . 1 . . . . 243 VAL CB . 25154 1 469 . 1 1 109 109 VAL N N 15 121.1783 0.1 . 1 . . . . 243 VAL N . 25154 1 470 . 1 1 110 110 TYR H H 1 9.4160 0.02 . 1 . . . . 244 TYR HN . 25154 1 471 . 1 1 110 110 TYR C C 13 174.7340 0.1 . 1 . . . . 244 TYR C . 25154 1 472 . 1 1 110 110 TYR CA C 13 56.3800 0.1 . 1 . . . . 244 TYR CA . 25154 1 473 . 1 1 110 110 TYR CB C 13 41.5670 0.1 . 1 . . . . 244 TYR CB . 25154 1 474 . 1 1 110 110 TYR N N 15 124.8518 0.1 . 1 . . . . 244 TYR N . 25154 1 475 . 1 1 111 111 GLU H H 1 9.2877 0.02 . 1 . . . . 245 GLU HN . 25154 1 476 . 1 1 111 111 GLU C C 13 174.3900 0.1 . 1 . . . . 245 GLU C . 25154 1 477 . 1 1 111 111 GLU CA C 13 53.8220 0.1 . 1 . . . . 245 GLU CA . 25154 1 478 . 1 1 111 111 GLU CB C 13 32.3480 0.1 . 1 . . . . 245 GLU CB . 25154 1 479 . 1 1 111 111 GLU N N 15 118.8758 0.1 . 1 . . . . 245 GLU N . 25154 1 480 . 1 1 112 112 ILE H H 1 8.6938 0.02 . 1 . . . . 246 ILE HN . 25154 1 481 . 1 1 112 112 ILE C C 13 175.6130 0.1 . 1 . . . . 246 ILE C . 25154 1 482 . 1 1 112 112 ILE CA C 13 57.8190 0.1 . 1 . . . . 246 ILE CA . 25154 1 483 . 1 1 112 112 ILE CB C 13 36.7180 0.1 . 1 . . . . 246 ILE CB . 25154 1 484 . 1 1 112 112 ILE N N 15 123.0457 0.1 . 1 . . . . 246 ILE N . 25154 1 485 . 1 1 113 113 LEU H H 1 9.2511 0.02 . 1 . . . . 247 LEU HN . 25154 1 486 . 1 1 113 113 LEU C C 13 176.0930 0.1 . 1 . . . . 247 LEU C . 25154 1 487 . 1 1 113 113 LEU CA C 13 53.7690 0.1 . 1 . . . . 247 LEU CA . 25154 1 488 . 1 1 113 113 LEU CB C 13 42.6320 0.1 . 1 . . . . 247 LEU CB . 25154 1 489 . 1 1 113 113 LEU N N 15 127.0954 0.1 . 1 . . . . 247 LEU N . 25154 1 490 . 1 1 114 114 GLU H H 1 8.6484 0.02 . 1 . . . . 248 GLU HN . 25154 1 491 . 1 1 114 114 GLU C C 13 176.0490 0.1 . 1 . . . . 248 GLU C . 25154 1 492 . 1 1 114 114 GLU CA C 13 55.6870 0.1 . 1 . . . . 248 GLU CA . 25154 1 493 . 1 1 114 114 GLU CB C 13 32.2950 0.1 . 1 . . . . 248 GLU CB . 25154 1 494 . 1 1 114 114 GLU N N 15 118.0301 0.1 . 1 . . . . 248 GLU N . 25154 1 495 . 1 1 115 115 ASN H H 1 9.0190 0.02 . 1 . . . . 249 ASN HN . 25154 1 496 . 1 1 115 115 ASN C C 13 175.8140 0.1 . 1 . . . . 249 ASN C . 25154 1 497 . 1 1 115 115 ASN CA C 13 54.4490 0.1 . 1 . . . . 249 ASN CA . 25154 1 498 . 1 1 115 115 ASN CB C 13 37.0380 0.1 . 1 . . . . 249 ASN CB . 25154 1 499 . 1 1 115 115 ASN N N 15 125.6959 0.1 . 1 . . . . 249 ASN N . 25154 1 500 . 1 1 116 116 GLY H H 1 8.5961 0.02 . 1 . . . . 250 GLY HN . 25154 1 501 . 1 1 116 116 GLY C C 13 173.5860 0.1 . 1 . . . . 250 GLY C . 25154 1 502 . 1 1 116 116 GLY CA C 13 44.9240 0.1 . 1 . . . . 250 GLY CA . 25154 1 503 . 1 1 116 116 GLY N N 15 102.1054 0.1 . 1 . . . . 250 GLY N . 25154 1 504 . 1 1 117 117 GLN H H 1 7.5870 0.02 . 1 . . . . 251 GLN HN . 25154 1 505 . 1 1 117 117 GLN HE21 H 1 7.5548 0.02 . 2 . . . . 251 GLN HE21 . 25154 1 506 . 1 1 117 117 GLN HE22 H 1 6.8913 0.02 . 2 . . . . 251 GLN HE22 . 25154 1 507 . 1 1 117 117 GLN C C 13 173.7380 0.1 . 1 . . . . 251 GLN C . 25154 1 508 . 1 1 117 117 GLN CA C 13 51.6910 0.1 . 1 . . . . 251 GLN CA . 25154 1 509 . 1 1 117 117 GLN CB C 13 29.5780 0.1 . 1 . . . . 251 GLN CB . 25154 1 510 . 1 1 117 117 GLN N N 15 118.3446 0.1 . 1 . . . . 251 GLN N . 25154 1 511 . 1 1 117 117 GLN NE2 N 15 112.3907 0.1 . 1 . . . . 251 GLN NE2 . 25154 1 512 . 1 1 118 118 PRO C C 13 176.5260 0.1 . 1 . . . . 252 PRO C . 25154 1 513 . 1 1 118 118 PRO CA C 13 64.0530 0.1 . 1 . . . . 252 PRO CA . 25154 1 514 . 1 1 118 118 PRO CB C 13 30.6430 0.1 . 1 . . . . 252 PRO CB . 25154 1 515 . 1 1 119 119 ALA H H 1 9.4789 0.02 . 1 . . . . 253 ALA HN . 25154 1 516 . 1 1 119 119 ALA C C 13 176.7550 0.1 . 1 . . . . 253 ALA C . 25154 1 517 . 1 1 119 119 ALA CA C 13 51.2650 0.1 . 1 . . . . 253 ALA CA . 25154 1 518 . 1 1 119 119 ALA CB C 13 21.4250 0.1 . 1 . . . . 253 ALA CB . 25154 1 519 . 1 1 119 119 ALA N N 15 128.4664 0.1 . 1 . . . . 253 ALA N . 25154 1 520 . 1 1 120 120 GLY H H 1 7.7370 0.02 . 1 . . . . 254 GLY HN . 25154 1 521 . 1 1 120 120 GLY C C 13 170.8230 0.1 . 1 . . . . 254 GLY C . 25154 1 522 . 1 1 120 120 GLY CA C 13 44.3380 0.1 . 1 . . . . 254 GLY CA . 25154 1 523 . 1 1 120 120 GLY N N 15 104.9936 0.1 . 1 . . . . 254 GLY N . 25154 1 524 . 1 1 121 121 VAL H H 1 8.2048 0.02 . 1 . . . . 255 VAL HN . 25154 1 525 . 1 1 121 121 VAL C C 13 174.4200 0.1 . 1 . . . . 255 VAL C . 25154 1 526 . 1 1 121 121 VAL CA C 13 59.7900 0.1 . 1 . . . . 255 VAL CA . 25154 1 527 . 1 1 121 121 VAL CB C 13 34.2130 0.1 . 1 . . . . 255 VAL CB . 25154 1 528 . 1 1 121 121 VAL N N 15 118.5145 0.1 . 1 . . . . 255 VAL N . 25154 1 529 . 1 1 122 122 CYS H H 1 9.0460 0.02 . 1 . . . . 256 CYS HN . 25154 1 530 . 1 1 122 122 CYS C C 13 171.3830 0.1 . 1 . . . . 256 CYS C . 25154 1 531 . 1 1 122 122 CYS CA C 13 55.7940 0.1 . 1 . . . . 256 CYS CA . 25154 1 532 . 1 1 122 122 CYS CB C 13 30.7500 0.1 . 1 . . . . 256 CYS CB . 25154 1 533 . 1 1 122 122 CYS N N 15 116.3573 0.1 . 1 . . . . 256 CYS N . 25154 1 534 . 1 1 123 123 ILE H H 1 9.5870 0.02 . 1 . . . . 257 ILE HN . 25154 1 535 . 1 1 123 123 ILE C C 13 175.7580 0.1 . 1 . . . . 257 ILE C . 25154 1 536 . 1 1 123 123 ILE CA C 13 60.1630 0.1 . 1 . . . . 257 ILE CA . 25154 1 537 . 1 1 123 123 ILE CB C 13 37.7840 0.1 . 1 . . . . 257 ILE CB . 25154 1 538 . 1 1 123 123 ILE N N 15 123.9893 0.1 . 1 . . . . 257 ILE N . 25154 1 539 . 1 1 124 124 LEU H H 1 7.3809 0.02 . 1 . . . . 258 LEU HN . 25154 1 540 . 1 1 124 124 LEU C C 13 177.4410 0.1 . 1 . . . . 258 LEU C . 25154 1 541 . 1 1 124 124 LEU CA C 13 53.5560 0.1 . 1 . . . . 258 LEU CA . 25154 1 542 . 1 1 124 124 LEU CB C 13 47.3220 0.1 . 1 . . . . 258 LEU CB . 25154 1 543 . 1 1 124 124 LEU N N 15 124.3312 0.1 . 1 . . . . 258 LEU N . 25154 1 544 . 1 1 125 125 GLU H H 1 8.3208 0.02 . 1 . . . . 259 GLU HN . 25154 1 545 . 1 1 125 125 GLU C C 13 174.6110 0.1 . 1 . . . . 259 GLU C . 25154 1 546 . 1 1 125 125 GLU CA C 13 54.9950 0.1 . 1 . . . . 259 GLU CA . 25154 1 547 . 1 1 125 125 GLU CB C 13 31.6020 0.1 . 1 . . . . 259 GLU CB . 25154 1 548 . 1 1 125 125 GLU N N 15 117.4497 0.1 . 1 . . . . 259 GLU N . 25154 1 549 . 1 1 126 126 TYR H H 1 8.7466 0.02 . 1 . . . . 260 TYR HN . 25154 1 550 . 1 1 126 126 TYR C C 13 177.1130 0.1 . 1 . . . . 260 TYR C . 25154 1 551 . 1 1 126 126 TYR CA C 13 58.5120 0.1 . 1 . . . . 260 TYR CA . 25154 1 552 . 1 1 126 126 TYR CB C 13 39.9680 0.1 . 1 . . . . 260 TYR CB . 25154 1 553 . 1 1 126 126 TYR N N 15 118.1469 0.1 . 1 . . . . 260 TYR N . 25154 1 554 . 1 1 127 127 ALA H H 1 7.8433 0.02 . 1 . . . . 261 ALA HN . 25154 1 555 . 1 1 127 127 ALA C C 13 176.6560 0.1 . 1 . . . . 261 ALA C . 25154 1 556 . 1 1 127 127 ALA CA C 13 51.2110 0.1 . 1 . . . . 261 ALA CA . 25154 1 557 . 1 1 127 127 ALA CB C 13 17.8550 0.1 . 1 . . . . 261 ALA CB . 25154 1 558 . 1 1 127 127 ALA N N 15 122.9692 0.1 . 1 . . . . 261 ALA N . 25154 1 559 . 1 1 128 128 THR H H 1 6.8813 0.02 . 1 . . . . 262 THR HN . 25154 1 560 . 1 1 128 128 THR C C 13 174.6210 0.1 . 1 . . . . 262 THR C . 25154 1 561 . 1 1 128 128 THR CA C 13 65.0120 0.1 . 1 . . . . 262 THR CA . 25154 1 562 . 1 1 128 128 THR CB C 13 67.1970 0.1 . 1 . . . . 262 THR CB . 25154 1 563 . 1 1 128 128 THR N N 15 118.6484 0.1 . 1 . . . . 262 THR N . 25154 1 564 . 1 1 129 129 PRO C C 13 177.9110 0.1 . 1 . . . . 263 PRO C . 25154 1 565 . 1 1 129 129 PRO CA C 13 64.1600 0.1 . 1 . . . . 263 PRO CA . 25154 1 566 . 1 1 129 129 PRO CB C 13 30.3240 0.1 . 1 . . . . 263 PRO CB . 25154 1 567 . 1 1 130 130 LEU H H 1 6.9712 0.02 . 1 . . . . 264 LEU HN . 25154 1 568 . 1 1 130 130 LEU C C 13 177.9950 0.1 . 1 . . . . 264 LEU C . 25154 1 569 . 1 1 130 130 LEU CA C 13 57.4460 0.1 . 1 . . . . 264 LEU CA . 25154 1 570 . 1 1 130 130 LEU CB C 13 40.7680 0.1 . 1 . . . . 264 LEU CB . 25154 1 571 . 1 1 130 130 LEU N N 15 114.3815 0.1 . 1 . . . . 264 LEU N . 25154 1 572 . 1 1 131 131 GLN C C 13 177.0470 0.1 . 1 . . . . 265 GLN C . 25154 1 573 . 1 1 131 131 GLN CA C 13 56.5400 0.1 . 1 . . . . 265 GLN CA . 25154 1 574 . 1 1 131 131 GLN CB C 13 33.4670 0.1 . 1 . . . . 265 GLN CB . 25154 1 575 . 1 1 132 132 THR H H 1 8.5374 0.02 . 1 . . . . 266 THR HN . 25154 1 576 . 1 1 132 132 THR C C 13 174.7130 0.1 . 1 . . . . 266 THR C . 25154 1 577 . 1 1 132 132 THR CA C 13 60.9630 0.1 . 1 . . . . 266 THR CA . 25154 1 578 . 1 1 132 132 THR CB C 13 69.7550 0.1 . 1 . . . . 266 THR CB . 25154 1 579 . 1 1 132 132 THR N N 15 113.6448 0.1 . 1 . . . . 266 THR N . 25154 1 580 . 1 1 134 134 PHE C C 13 179.0050 0.1 . 1 . . . . 268 PHE C . 25154 1 581 . 1 1 135 135 ALA H H 1 8.3561 0.02 . 1 . . . . 269 ALA HN . 25154 1 582 . 1 1 135 135 ALA C C 13 181.2450 0.1 . 1 . . . . 269 ALA C . 25154 1 583 . 1 1 135 135 ALA CA C 13 54.9980 0.1 . 1 . . . . 269 ALA CA . 25154 1 584 . 1 1 135 135 ALA CB C 13 17.6170 0.1 . 1 . . . . 269 ALA CB . 25154 1 585 . 1 1 135 135 ALA N N 15 123.2947 0.1 . 1 . . . . 269 ALA N . 25154 1 586 . 1 1 136 136 MET H H 1 8.5402 0.02 . 1 . . . . 270 MET HN . 25154 1 587 . 1 1 136 136 MET C C 13 177.2350 0.1 . 1 . . . . 270 MET C . 25154 1 588 . 1 1 136 136 MET CA C 13 58.7230 0.1 . 1 . . . . 270 MET CA . 25154 1 589 . 1 1 136 136 MET CB C 13 33.1050 0.1 . 1 . . . . 270 MET CB . 25154 1 590 . 1 1 136 136 MET N N 15 116.7959 0.1 . 1 . . . . 270 MET N . 25154 1 591 . 1 1 137 137 SER H H 1 7.2673 0.02 . 1 . . . . 271 SER HN . 25154 1 592 . 1 1 137 137 SER C C 13 174.0920 0.1 . 1 . . . . 271 SER C . 25154 1 593 . 1 1 137 137 SER CA C 13 59.0020 0.1 . 1 . . . . 271 SER CA . 25154 1 594 . 1 1 137 137 SER CB C 13 63.1620 0.1 . 1 . . . . 271 SER CB . 25154 1 595 . 1 1 137 137 SER N N 15 110.9193 0.1 . 1 . . . . 271 SER N . 25154 1 596 . 1 1 138 138 GLN H H 1 7.0225 0.02 . 1 . . . . 272 GLN HN . 25154 1 597 . 1 1 138 138 GLN HE22 H 1 6.6585 0.02 . 2 . . . . 272 GLN HE22 . 25154 1 598 . 1 1 138 138 GLN C C 13 175.4670 0.1 . 1 . . . . 272 GLN C . 25154 1 599 . 1 1 138 138 GLN CA C 13 54.7110 0.1 . 1 . . . . 272 GLN CA . 25154 1 600 . 1 1 138 138 GLN CB C 13 28.8380 0.1 . 1 . . . . 272 GLN CB . 25154 1 601 . 1 1 138 138 GLN N N 15 117.9831 0.1 . 1 . . . . 272 GLN N . 25154 1 602 . 1 1 138 138 GLN NE2 N 15 112.7899 0.1 . 1 . . . . 272 GLN NE2 . 25154 1 603 . 1 1 139 139 ASP H H 1 7.0018 0.02 . 1 . . . . 273 ASP HN . 25154 1 604 . 1 1 139 139 ASP C C 13 177.2890 0.1 . 1 . . . . 273 ASP C . 25154 1 605 . 1 1 139 139 ASP CA C 13 53.8660 0.1 . 1 . . . . 273 ASP CA . 25154 1 606 . 1 1 139 139 ASP CB C 13 43.2050 0.1 . 1 . . . . 273 ASP CB . 25154 1 607 . 1 1 139 139 ASP N N 15 120.1877 0.1 . 1 . . . . 273 ASP N . 25154 1 608 . 1 1 140 140 ALA H H 1 8.8530 0.02 . 1 . . . . 274 ALA HN . 25154 1 609 . 1 1 140 140 ALA C C 13 179.5030 0.1 . 1 . . . . 274 ALA C . 25154 1 610 . 1 1 140 140 ALA CA C 13 54.2560 0.1 . 1 . . . . 274 ALA CA . 25154 1 611 . 1 1 140 140 ALA CB C 13 18.1120 0.1 . 1 . . . . 274 ALA CB . 25154 1 612 . 1 1 140 140 ALA N N 15 129.2466 0.1 . 1 . . . . 274 ALA N . 25154 1 613 . 1 1 141 141 LYS H H 1 8.5052 0.02 . 1 . . . . 275 LYS HN . 25154 1 614 . 1 1 141 141 LYS C C 13 178.4660 0.1 . 1 . . . . 275 LYS C . 25154 1 615 . 1 1 141 141 LYS CA C 13 57.5720 0.1 . 1 . . . . 275 LYS CA . 25154 1 616 . 1 1 141 141 LYS CB C 13 31.6980 0.1 . 1 . . . . 275 LYS CB . 25154 1 617 . 1 1 141 141 LYS N N 15 116.3959 0.1 . 1 . . . . 275 LYS N . 25154 1 618 . 1 1 142 142 ALA H H 1 8.3120 0.02 . 1 . . . . 276 ALA HN . 25154 1 619 . 1 1 142 142 ALA C C 13 177.9950 0.1 . 1 . . . . 276 ALA C . 25154 1 620 . 1 1 142 142 ALA CA C 13 52.6310 0.1 . 1 . . . . 276 ALA CA . 25154 1 621 . 1 1 142 142 ALA CB C 13 17.9170 0.1 . 1 . . . . 276 ALA CB . 25154 1 622 . 1 1 142 142 ALA N N 15 121.6026 0.1 . 1 . . . . 276 ALA N . 25154 1 623 . 1 1 143 143 GLY H H 1 7.4833 0.02 . 1 . . . . 277 GLY HN . 25154 1 624 . 1 1 143 143 GLY C C 13 173.7310 0.1 . 1 . . . . 277 GLY C . 25154 1 625 . 1 1 143 143 GLY CA C 13 46.1300 0.1 . 1 . . . . 277 GLY CA . 25154 1 626 . 1 1 143 143 GLY N N 15 104.3339 0.1 . 1 . . . . 277 GLY N . 25154 1 627 . 1 1 144 144 PHE H H 1 8.0069 0.02 . 1 . . . . 278 PHE HN . 25154 1 628 . 1 1 144 144 PHE C C 13 174.7360 0.1 . 1 . . . . 278 PHE C . 25154 1 629 . 1 1 144 144 PHE CA C 13 55.6860 0.1 . 1 . . . . 278 PHE CA . 25154 1 630 . 1 1 144 144 PHE CB C 13 39.8890 0.1 . 1 . . . . 278 PHE CB . 25154 1 631 . 1 1 144 144 PHE N N 15 119.6151 0.1 . 1 . . . . 278 PHE N . 25154 1 632 . 1 1 145 145 SER H H 1 9.0587 0.02 . 1 . . . . 279 SER HN . 25154 1 633 . 1 1 145 145 SER C C 13 175.1610 0.1 . 1 . . . . 279 SER C . 25154 1 634 . 1 1 145 145 SER CA C 13 57.3770 0.1 . 1 . . . . 279 SER CA . 25154 1 635 . 1 1 145 145 SER CB C 13 65.9580 0.1 . 1 . . . . 279 SER CB . 25154 1 636 . 1 1 145 145 SER N N 15 120.1378 0.1 . 1 . . . . 279 SER N . 25154 1 637 . 1 1 146 146 ARG H H 1 8.8348 0.02 . 1 . . . . 280 ARG HN . 25154 1 638 . 1 1 146 146 ARG C C 13 178.5180 0.1 . 1 . . . . 280 ARG C . 25154 1 639 . 1 1 146 146 ARG CA C 13 59.2990 0.1 . 1 . . . . 280 ARG CA . 25154 1 640 . 1 1 146 146 ARG CB C 13 28.6730 0.1 . 1 . . . . 280 ARG CB . 25154 1 641 . 1 1 146 146 ARG N N 15 119.9210 0.1 . 1 . . . . 280 ARG N . 25154 1 642 . 1 1 147 147 GLU H H 1 8.4475 0.02 . 1 . . . . 281 GLU HN . 25154 1 643 . 1 1 147 147 GLU C C 13 179.4560 0.1 . 1 . . . . 281 GLU C . 25154 1 644 . 1 1 147 147 GLU CA C 13 60.0100 0.1 . 1 . . . . 281 GLU CA . 25154 1 645 . 1 1 147 147 GLU CB C 13 27.8670 0.1 . 1 . . . . 281 GLU CB . 25154 1 646 . 1 1 147 147 GLU N N 15 119.4823 0.1 . 1 . . . . 281 GLU N . 25154 1 647 . 1 1 148 148 ASP H H 1 7.7790 0.02 . 1 . . . . 282 ASP HN . 25154 1 648 . 1 1 148 148 ASP C C 13 178.2380 0.1 . 1 . . . . 282 ASP C . 25154 1 649 . 1 1 148 148 ASP CA C 13 56.6440 0.1 . 1 . . . . 282 ASP CA . 25154 1 650 . 1 1 148 148 ASP CB C 13 39.4820 0.1 . 1 . . . . 282 ASP CB . 25154 1 651 . 1 1 148 148 ASP N N 15 121.4812 0.1 . 1 . . . . 282 ASP N . 25154 1 652 . 1 1 149 149 ARG H H 1 8.2420 0.02 . 1 . . . . 283 ARG HN . 25154 1 653 . 1 1 149 149 ARG C C 13 177.2140 0.1 . 1 . . . . 283 ARG C . 25154 1 654 . 1 1 149 149 ARG CA C 13 59.9150 0.1 . 1 . . . . 283 ARG CA . 25154 1 655 . 1 1 149 149 ARG CB C 13 28.7200 0.1 . 1 . . . . 283 ARG CB . 25154 1 656 . 1 1 149 149 ARG N N 15 120.7157 0.1 . 1 . . . . 283 ARG N . 25154 1 657 . 1 1 150 150 LEU H H 1 7.7307 0.02 . 1 . . . . 284 LEU HN . 25154 1 658 . 1 1 150 150 LEU C C 13 179.0940 0.1 . 1 . . . . 284 LEU C . 25154 1 659 . 1 1 150 150 LEU CA C 13 57.6390 0.1 . 1 . . . . 284 LEU CA . 25154 1 660 . 1 1 150 150 LEU CB C 13 40.5250 0.1 . 1 . . . . 284 LEU CB . 25154 1 661 . 1 1 150 150 LEU N N 15 119.9511 0.1 . 1 . . . . 284 LEU N . 25154 1 662 . 1 1 151 151 GLU H H 1 7.7034 0.02 . 1 . . . . 285 GLU HN . 25154 1 663 . 1 1 151 151 GLU C C 13 180.7030 0.1 . 1 . . . . 285 GLU C . 25154 1 664 . 1 1 151 151 GLU CA C 13 58.8640 0.1 . 1 . . . . 285 GLU CA . 25154 1 665 . 1 1 151 151 GLU CB C 13 28.7750 0.1 . 1 . . . . 285 GLU CB . 25154 1 666 . 1 1 151 151 GLU N N 15 117.8231 0.1 . 1 . . . . 285 GLU N . 25154 1 667 . 1 1 152 152 GLN H H 1 8.6282 0.02 . 1 . . . . 286 GLN HN . 25154 1 668 . 1 1 152 152 GLN HE21 H 1 7.4930 0.02 . 2 . . . . 286 GLN HE21 . 25154 1 669 . 1 1 152 152 GLN HE22 H 1 6.7664 0.02 . 2 . . . . 286 GLN HE22 . 25154 1 670 . 1 1 152 152 GLN C C 13 178.2570 0.1 . 1 . . . . 286 GLN C . 25154 1 671 . 1 1 152 152 GLN CA C 13 57.4100 0.1 . 1 . . . . 286 GLN CA . 25154 1 672 . 1 1 152 152 GLN CB C 13 27.8900 0.1 . 1 . . . . 286 GLN CB . 25154 1 673 . 1 1 152 152 GLN N N 15 116.4976 0.1 . 1 . . . . 286 GLN N . 25154 1 674 . 1 1 152 152 GLN NE2 N 15 111.8377 0.1 . 1 . . . . 286 GLN NE2 . 25154 1 675 . 1 1 153 153 ALA H H 1 9.0192 0.02 . 1 . . . . 287 ALA HN . 25154 1 676 . 1 1 153 153 ALA C C 13 179.9080 0.1 . 1 . . . . 287 ALA C . 25154 1 677 . 1 1 153 153 ALA CA C 13 55.7880 0.1 . 1 . . . . 287 ALA CA . 25154 1 678 . 1 1 153 153 ALA CB C 13 17.7950 0.1 . 1 . . . . 287 ALA CB . 25154 1 679 . 1 1 153 153 ALA N N 15 124.8982 0.1 . 1 . . . . 287 ALA N . 25154 1 680 . 1 1 154 154 LYS H H 1 8.1559 0.02 . 1 . . . . 288 LYS HN . 25154 1 681 . 1 1 154 154 LYS C C 13 179.8220 0.1 . 1 . . . . 288 LYS C . 25154 1 682 . 1 1 154 154 LYS CA C 13 60.0150 0.1 . 1 . . . . 288 LYS CA . 25154 1 683 . 1 1 154 154 LYS CB C 13 31.7110 0.1 . 1 . . . . 288 LYS CB . 25154 1 684 . 1 1 154 154 LYS N N 15 117.0969 0.1 . 1 . . . . 288 LYS N . 25154 1 685 . 1 1 155 155 LEU H H 1 7.9549 0.02 . 1 . . . . 289 LEU HN . 25154 1 686 . 1 1 155 155 LEU C C 13 180.0130 0.1 . 1 . . . . 289 LEU C . 25154 1 687 . 1 1 155 155 LEU CA C 13 56.8700 0.1 . 1 . . . . 289 LEU CA . 25154 1 688 . 1 1 155 155 LEU CB C 13 40.6320 0.1 . 1 . . . . 289 LEU CB . 25154 1 689 . 1 1 155 155 LEU N N 15 120.4874 0.1 . 1 . . . . 289 LEU N . 25154 1 690 . 1 1 156 156 PHE H H 1 9.0412 0.02 . 1 . . . . 290 PHE HN . 25154 1 691 . 1 1 156 156 PHE C C 13 175.5220 0.1 . 1 . . . . 290 PHE C . 25154 1 692 . 1 1 156 156 PHE CA C 13 60.0150 0.1 . 1 . . . . 290 PHE CA . 25154 1 693 . 1 1 156 156 PHE CB C 13 37.4360 0.1 . 1 . . . . 290 PHE CB . 25154 1 694 . 1 1 156 156 PHE N N 15 125.6920 0.1 . 1 . . . . 290 PHE N . 25154 1 695 . 1 1 157 157 CYS H H 1 7.5592 0.02 . 1 . . . . 291 CYS HN . 25154 1 696 . 1 1 157 157 CYS C C 13 176.1460 0.1 . 1 . . . . 291 CYS C . 25154 1 697 . 1 1 157 157 CYS CA C 13 62.6500 0.1 . 1 . . . . 291 CYS CA . 25154 1 698 . 1 1 157 157 CYS CB C 13 25.5790 0.1 . 1 . . . . 291 CYS CB . 25154 1 699 . 1 1 157 157 CYS N N 15 118.0260 0.1 . 1 . . . . 291 CYS N . 25154 1 700 . 1 1 158 158 ARG H H 1 7.6768 0.02 . 1 . . . . 292 ARG HN . 25154 1 701 . 1 1 158 158 ARG C C 13 178.7530 0.1 . 1 . . . . 292 ARG C . 25154 1 702 . 1 1 158 158 ARG CA C 13 58.2110 0.1 . 1 . . . . 292 ARG CA . 25154 1 703 . 1 1 158 158 ARG CB C 13 29.3420 0.1 . 1 . . . . 292 ARG CB . 25154 1 704 . 1 1 158 158 ARG N N 15 117.4945 0.1 . 1 . . . . 292 ARG N . 25154 1 705 . 1 1 159 159 THR H H 1 8.2037 0.02 . 1 . . . . 293 THR HN . 25154 1 706 . 1 1 159 159 THR C C 13 175.9130 0.1 . 1 . . . . 293 THR C . 25154 1 707 . 1 1 159 159 THR CA C 13 66.0460 0.1 . 1 . . . . 293 THR CA . 25154 1 708 . 1 1 159 159 THR CB C 13 67.9540 0.1 . 1 . . . . 293 THR CB . 25154 1 709 . 1 1 159 159 THR N N 15 115.1398 0.1 . 1 . . . . 293 THR N . 25154 1 710 . 1 1 160 160 LEU H H 1 8.1953 0.02 . 1 . . . . 294 LEU HN . 25154 1 711 . 1 1 160 160 LEU C C 13 178.0020 0.1 . 1 . . . . 294 LEU C . 25154 1 712 . 1 1 160 160 LEU CA C 13 57.4370 0.1 . 1 . . . . 294 LEU CA . 25154 1 713 . 1 1 160 160 LEU CB C 13 40.4260 0.1 . 1 . . . . 294 LEU CB . 25154 1 714 . 1 1 160 160 LEU N N 15 121.6056 0.1 . 1 . . . . 294 LEU N . 25154 1 715 . 1 1 161 161 GLU H H 1 7.8025 0.02 . 1 . . . . 295 GLU HN . 25154 1 716 . 1 1 161 161 GLU C C 13 179.1200 0.1 . 1 . . . . 295 GLU C . 25154 1 717 . 1 1 161 161 GLU CA C 13 59.7060 0.1 . 1 . . . . 295 GLU CA . 25154 1 718 . 1 1 161 161 GLU CB C 13 28.3110 0.1 . 1 . . . . 295 GLU CB . 25154 1 719 . 1 1 161 161 GLU N N 15 116.7615 0.1 . 1 . . . . 295 GLU N . 25154 1 720 . 1 1 162 162 GLU H H 1 7.5756 0.02 . 1 . . . . 296 GLU HN . 25154 1 721 . 1 1 162 162 GLU C C 13 179.8340 0.1 . 1 . . . . 296 GLU C . 25154 1 722 . 1 1 162 162 GLU CA C 13 58.9320 0.1 . 1 . . . . 296 GLU CA . 25154 1 723 . 1 1 162 162 GLU CB C 13 28.6200 0.1 . 1 . . . . 296 GLU CB . 25154 1 724 . 1 1 162 162 GLU N N 15 118.7900 0.1 . 1 . . . . 296 GLU N . 25154 1 725 . 1 1 163 163 ILE H H 1 7.8697 0.02 . 1 . . . . 297 ILE HN . 25154 1 726 . 1 1 163 163 ILE C C 13 178.9390 0.1 . 1 . . . . 297 ILE C . 25154 1 727 . 1 1 163 163 ILE CA C 13 64.6030 0.1 . 1 . . . . 297 ILE CA . 25154 1 728 . 1 1 163 163 ILE CB C 13 37.4360 0.1 . 1 . . . . 297 ILE CB . 25154 1 729 . 1 1 163 163 ILE N N 15 120.7645 0.1 . 1 . . . . 297 ILE N . 25154 1 730 . 1 1 164 164 LEU H H 1 7.8825 0.02 . 1 . . . . 298 LEU HN . 25154 1 731 . 1 1 164 164 LEU C C 13 179.4240 0.1 . 1 . . . . 298 LEU C . 25154 1 732 . 1 1 164 164 LEU CA C 13 56.3550 0.1 . 1 . . . . 298 LEU CA . 25154 1 733 . 1 1 164 164 LEU CB C 13 40.1680 0.1 . 1 . . . . 298 LEU CB . 25154 1 734 . 1 1 164 164 LEU N N 15 115.8764 0.1 . 1 . . . . 298 LEU N . 25154 1 735 . 1 1 165 165 GLU H H 1 7.6493 0.02 . 1 . . . . 299 GLU HN . 25154 1 736 . 1 1 165 165 GLU C C 13 177.5780 0.1 . 1 . . . . 299 GLU C . 25154 1 737 . 1 1 165 165 GLU CA C 13 58.5200 0.1 . 1 . . . . 299 GLU CA . 25154 1 738 . 1 1 165 165 GLU CB C 13 28.7240 0.1 . 1 . . . . 299 GLU CB . 25154 1 739 . 1 1 165 165 GLU N N 15 119.0953 0.1 . 1 . . . . 299 GLU N . 25154 1 740 . 1 1 166 166 ASP H H 1 7.0875 0.02 . 1 . . . . 300 ASP HN . 25154 1 741 . 1 1 166 166 ASP C C 13 175.8650 0.1 . 1 . . . . 300 ASP C . 25154 1 742 . 1 1 166 166 ASP CA C 13 53.7260 0.1 . 1 . . . . 300 ASP CA . 25154 1 743 . 1 1 166 166 ASP CB C 13 41.1990 0.1 . 1 . . . . 300 ASP CB . 25154 1 744 . 1 1 166 166 ASP N N 15 114.9450 0.1 . 1 . . . . 300 ASP N . 25154 1 745 . 1 1 167 167 VAL H H 1 7.4628 0.02 . 1 . . . . 301 VAL HN . 25154 1 746 . 1 1 167 167 VAL C C 13 174.6060 0.1 . 1 . . . . 301 VAL C . 25154 1 747 . 1 1 167 167 VAL CA C 13 58.9840 0.1 . 1 . . . . 301 VAL CA . 25154 1 748 . 1 1 167 167 VAL CB C 13 31.4560 0.1 . 1 . . . . 301 VAL CB . 25154 1 749 . 1 1 167 167 VAL N N 15 120.5546 0.1 . 1 . . . . 301 VAL N . 25154 1 750 . 1 1 168 168 PRO C C 13 178.0760 0.1 . 1 . . . . 302 PRO C . 25154 1 751 . 1 1 168 168 PRO CA C 13 64.6550 0.1 . 1 . . . . 302 PRO CA . 25154 1 752 . 1 1 168 168 PRO CB C 13 30.9920 0.1 . 1 . . . . 302 PRO CB . 25154 1 753 . 1 1 169 169 GLU H H 1 9.0599 0.02 . 1 . . . . 303 GLU HN . 25154 1 754 . 1 1 169 169 GLU C C 13 178.3780 0.1 . 1 . . . . 303 GLU C . 25154 1 755 . 1 1 169 169 GLU CA C 13 58.0560 0.1 . 1 . . . . 303 GLU CA . 25154 1 756 . 1 1 169 169 GLU CB C 13 27.3320 0.1 . 1 . . . . 303 GLU CB . 25154 1 757 . 1 1 169 169 GLU N N 15 115.3930 0.1 . 1 . . . . 303 GLU N . 25154 1 758 . 1 1 170 170 SER H H 1 7.9838 0.02 . 1 . . . . 304 SER HN . 25154 1 759 . 1 1 170 170 SER C C 13 176.4310 0.1 . 1 . . . . 304 SER C . 25154 1 760 . 1 1 170 170 SER CA C 13 61.3550 0.1 . 1 . . . . 304 SER CA . 25154 1 761 . 1 1 170 170 SER CB C 13 62.4380 0.1 . 1 . . . . 304 SER CB . 25154 1 762 . 1 1 170 170 SER N N 15 116.2785 0.1 . 1 . . . . 304 SER N . 25154 1 763 . 1 1 171 171 ARG H H 1 8.2293 0.02 . 1 . . . . 305 ARG HN . 25154 1 764 . 1 1 171 171 ARG C C 13 178.1400 0.1 . 1 . . . . 305 ARG C . 25154 1 765 . 1 1 171 171 ARG CA C 13 57.9530 0.1 . 1 . . . . 305 ARG CA . 25154 1 766 . 1 1 171 171 ARG CB C 13 28.8270 0.1 . 1 . . . . 305 ARG CB . 25154 1 767 . 1 1 171 171 ARG N N 15 121.6089 0.1 . 1 . . . . 305 ARG N . 25154 1 768 . 1 1 172 172 ASN H H 1 7.9719 0.02 . 1 . . . . 306 ASN HN . 25154 1 769 . 1 1 172 172 ASN HD21 H 1 7.5910 0.02 . 2 . . . . 306 ASN HD21 . 25154 1 770 . 1 1 172 172 ASN HD22 H 1 6.9202 0.02 . 2 . . . . 306 ASN HD22 . 25154 1 771 . 1 1 172 172 ASN C C 13 175.5990 0.1 . 1 . . . . 306 ASN C . 25154 1 772 . 1 1 172 172 ASN CA C 13 53.8290 0.1 . 1 . . . . 306 ASN CA . 25154 1 773 . 1 1 172 172 ASN CB C 13 38.0030 0.1 . 1 . . . . 306 ASN CB . 25154 1 774 . 1 1 172 172 ASN N N 15 113.9554 0.1 . 1 . . . . 306 ASN N . 25154 1 775 . 1 1 172 172 ASN ND2 N 15 112.0882 0.1 . 1 . . . . 306 ASN ND2 . 25154 1 776 . 1 1 173 173 ASN H H 1 7.5175 0.02 . 1 . . . . 307 ASN HN . 25154 1 777 . 1 1 173 173 ASN HD21 H 1 7.5757 0.02 . 2 . . . . 307 ASN HD21 . 25154 1 778 . 1 1 173 173 ASN HD22 H 1 7.1321 0.02 . 2 . . . . 307 ASN HD22 . 25154 1 779 . 1 1 173 173 ASN C C 13 174.4280 0.1 . 1 . . . . 307 ASN C . 25154 1 780 . 1 1 173 173 ASN CA C 13 53.6740 0.1 . 1 . . . . 307 ASN CA . 25154 1 781 . 1 1 173 173 ASN CB C 13 41.7140 0.1 . 1 . . . . 307 ASN CB . 25154 1 782 . 1 1 173 173 ASN N N 15 113.4687 0.1 . 1 . . . . 307 ASN N . 25154 1 783 . 1 1 173 173 ASN ND2 N 15 113.9029 0.1 . 1 . . . . 307 ASN ND2 . 25154 1 784 . 1 1 174 174 CYS H H 1 8.1089 0.02 . 1 . . . . 308 CYS HN . 25154 1 785 . 1 1 174 174 CYS C C 13 172.3230 0.1 . 1 . . . . 308 CYS C . 25154 1 786 . 1 1 174 174 CYS CA C 13 56.6130 0.1 . 1 . . . . 308 CYS CA . 25154 1 787 . 1 1 174 174 CYS CB C 13 30.0640 0.1 . 1 . . . . 308 CYS CB . 25154 1 788 . 1 1 174 174 CYS N N 15 118.1152 0.1 . 1 . . . . 308 CYS N . 25154 1 789 . 1 1 175 175 ARG H H 1 8.3910 0.02 . 1 . . . . 309 ARG HN . 25154 1 790 . 1 1 175 175 ARG C C 13 173.6680 0.1 . 1 . . . . 309 ARG C . 25154 1 791 . 1 1 175 175 ARG CA C 13 53.7160 0.1 . 1 . . . . 309 ARG CA . 25154 1 792 . 1 1 175 175 ARG CB C 13 32.8140 0.1 . 1 . . . . 309 ARG CB . 25154 1 793 . 1 1 175 175 ARG N N 15 123.3707 0.1 . 1 . . . . 309 ARG N . 25154 1 794 . 1 1 176 176 LEU H H 1 8.8061 0.02 . 1 . . . . 310 LEU HN . 25154 1 795 . 1 1 176 176 LEU C C 13 176.4700 0.1 . 1 . . . . 310 LEU C . 25154 1 796 . 1 1 176 176 LEU CA C 13 53.8000 0.1 . 1 . . . . 310 LEU CA . 25154 1 797 . 1 1 176 176 LEU CB C 13 40.8400 0.1 . 1 . . . . 310 LEU CB . 25154 1 798 . 1 1 176 176 LEU N N 15 124.4454 0.1 . 1 . . . . 310 LEU N . 25154 1 799 . 1 1 177 177 ILE H H 1 9.3133 0.02 . 1 . . . . 311 ILE HN . 25154 1 800 . 1 1 177 177 ILE C C 13 173.4300 0.1 . 1 . . . . 311 ILE C . 25154 1 801 . 1 1 177 177 ILE CA C 13 60.5720 0.1 . 1 . . . . 311 ILE CA . 25154 1 802 . 1 1 177 177 ILE CB C 13 36.4510 0.1 . 1 . . . . 311 ILE CB . 25154 1 803 . 1 1 177 177 ILE N N 15 125.9270 0.1 . 1 . . . . 311 ILE N . 25154 1 804 . 1 1 178 178 VAL H H 1 8.4666 0.02 . 1 . . . . 312 VAL HN . 25154 1 805 . 1 1 178 178 VAL C C 13 176.5040 0.1 . 1 . . . . 312 VAL C . 25154 1 806 . 1 1 178 178 VAL CA C 13 61.3660 0.1 . 1 . . . . 312 VAL CA . 25154 1 807 . 1 1 178 178 VAL CB C 13 32.0620 0.1 . 1 . . . . 312 VAL CB . 25154 1 808 . 1 1 178 178 VAL N N 15 128.6195 0.1 . 1 . . . . 312 VAL N . 25154 1 809 . 1 1 179 179 TYR H H 1 7.7212 0.02 . 1 . . . . 313 TYR HN . 25154 1 810 . 1 1 179 179 TYR C C 13 172.4050 0.1 . 1 . . . . 313 TYR C . 25154 1 811 . 1 1 179 179 TYR CA C 13 55.4300 0.1 . 1 . . . . 313 TYR CA . 25154 1 812 . 1 1 179 179 TYR CB C 13 38.9590 0.1 . 1 . . . . 313 TYR CB . 25154 1 813 . 1 1 179 179 TYR N N 15 122.9676 0.1 . 1 . . . . 313 TYR N . 25154 1 814 . 1 1 180 180 GLN H H 1 8.1827 0.02 . 1 . . . . 314 GLN HN . 25154 1 815 . 1 1 180 180 GLN HE21 H 1 7.5960 0.02 . 2 . . . . 314 GLN HE21 . 25154 1 816 . 1 1 180 180 GLN HE22 H 1 6.5305 0.02 . 2 . . . . 314 GLN HE22 . 25154 1 817 . 1 1 180 180 GLN C C 13 174.5840 0.1 . 1 . . . . 314 GLN C . 25154 1 818 . 1 1 180 180 GLN CA C 13 53.7580 0.1 . 1 . . . . 314 GLN CA . 25154 1 819 . 1 1 180 180 GLN CB C 13 30.7240 0.1 . 1 . . . . 314 GLN CB . 25154 1 820 . 1 1 180 180 GLN N N 15 117.6002 0.1 . 1 . . . . 314 GLN N . 25154 1 821 . 1 1 180 180 GLN NE2 N 15 110.4067 0.1 . 1 . . . . 314 GLN NE2 . 25154 1 822 . 1 1 181 181 GLU H H 1 8.9106 0.02 . 1 . . . . 315 GLU HN . 25154 1 823 . 1 1 181 181 GLU C C 13 174.9740 0.1 . 1 . . . . 315 GLU C . 25154 1 824 . 1 1 181 181 GLU CA C 13 54.4270 0.1 . 1 . . . . 315 GLU CA . 25154 1 825 . 1 1 181 181 GLU CB C 13 28.4250 0.1 . 1 . . . . 315 GLU CB . 25154 1 826 . 1 1 181 181 GLU N N 15 125.2990 0.1 . 1 . . . . 315 GLU N . 25154 1 827 . 1 1 182 182 PRO C C 13 177.6950 0.1 . 1 . . . . 316 PRO C . 25154 1 828 . 1 1 182 182 PRO CA C 13 62.2300 0.1 . 1 . . . . 316 PRO CA . 25154 1 829 . 1 1 182 182 PRO CB C 13 31.7410 0.1 . 1 . . . . 316 PRO CB . 25154 1 830 . 1 1 183 183 THR H H 1 8.4917 0.02 . 1 . . . . 317 THR HN . 25154 1 831 . 1 1 183 183 THR C C 13 175.0030 0.1 . 1 . . . . 317 THR C . 25154 1 832 . 1 1 183 183 THR CA C 13 61.6170 0.1 . 1 . . . . 317 THR CA . 25154 1 833 . 1 1 183 183 THR CB C 13 69.1970 0.1 . 1 . . . . 317 THR CB . 25154 1 834 . 1 1 183 183 THR N N 15 112.3028 0.1 . 1 . . . . 317 THR N . 25154 1 835 . 1 1 184 184 ASP H H 1 8.0714 0.02 . 1 . . . . 318 ASP HN . 25154 1 836 . 1 1 184 184 ASP C C 13 176.8640 0.1 . 1 . . . . 318 ASP C . 25154 1 837 . 1 1 184 184 ASP CA C 13 53.6740 0.1 . 1 . . . . 318 ASP CA . 25154 1 838 . 1 1 184 184 ASP CB C 13 40.5060 0.1 . 1 . . . . 318 ASP CB . 25154 1 839 . 1 1 184 184 ASP N N 15 119.7900 0.1 . 1 . . . . 318 ASP N . 25154 1 840 . 1 1 185 185 GLY H H 1 8.3390 0.02 . 1 . . . . 319 GLY HN . 25154 1 841 . 1 1 185 185 GLY C C 13 174.7310 0.1 . 1 . . . . 319 GLY C . 25154 1 842 . 1 1 185 185 GLY CA C 13 44.9370 0.1 . 1 . . . . 319 GLY CA . 25154 1 843 . 1 1 185 185 GLY N N 15 108.5356 0.1 . 1 . . . . 319 GLY N . 25154 1 844 . 1 1 186 186 ASN H H 1 8.0417 0.02 . 1 . . . . 320 ASN HN . 25154 1 845 . 1 1 186 186 ASN HD21 H 1 7.6262 0.02 . 2 . . . . 320 ASN HD21 . 25154 1 846 . 1 1 186 186 ASN HD22 H 1 6.9188 0.02 . 2 . . . . 320 ASN HD22 . 25154 1 847 . 1 1 186 186 ASN C C 13 175.2660 0.1 . 1 . . . . 320 ASN C . 25154 1 848 . 1 1 186 186 ASN CA C 13 53.0470 0.1 . 1 . . . . 320 ASN CA . 25154 1 849 . 1 1 186 186 ASN CB C 13 38.9590 0.1 . 1 . . . . 320 ASN CB . 25154 1 850 . 1 1 186 186 ASN N N 15 118.4438 0.1 . 1 . . . . 320 ASN N . 25154 1 851 . 1 1 186 186 ASN ND2 N 15 113.4991 0.1 . 1 . . . . 320 ASN ND2 . 25154 1 852 . 1 1 187 187 SER H H 1 8.3950 0.02 . 1 . . . . 321 SER HN . 25154 1 853 . 1 1 187 187 SER C C 13 173.8510 0.1 . 1 . . . . 321 SER C . 25154 1 854 . 1 1 187 187 SER CA C 13 58.0640 0.1 . 1 . . . . 321 SER CA . 25154 1 855 . 1 1 187 187 SER CB C 13 63.8320 0.1 . 1 . . . . 321 SER CB . 25154 1 856 . 1 1 187 187 SER N N 15 114.9933 0.1 . 1 . . . . 321 SER N . 25154 1 857 . 1 1 188 188 PHE H H 1 8.4501 0.02 . 1 . . . . 322 PHE HN . 25154 1 858 . 1 1 188 188 PHE C C 13 174.1590 0.1 . 1 . . . . 322 PHE C . 25154 1 859 . 1 1 188 188 PHE CA C 13 57.7290 0.1 . 1 . . . . 322 PHE CA . 25154 1 860 . 1 1 188 188 PHE CB C 13 41.0080 0.1 . 1 . . . . 322 PHE CB . 25154 1 861 . 1 1 188 188 PHE N N 15 123.3794 0.1 . 1 . . . . 322 PHE N . 25154 1 862 . 1 1 189 189 SER H H 1 7.5942 0.02 . 1 . . . . 323 SER HN . 25154 1 863 . 1 1 189 189 SER C C 13 174.1840 0.1 . 1 . . . . 323 SER C . 25154 1 864 . 1 1 189 189 SER CA C 13 54.9700 0.1 . 1 . . . . 323 SER CA . 25154 1 865 . 1 1 189 189 SER CB C 13 62.4530 0.1 . 1 . . . . 323 SER CB . 25154 1 866 . 1 1 189 189 SER N N 15 121.4476 0.1 . 1 . . . . 323 SER N . 25154 1 867 . 1 1 190 190 LEU H H 1 8.7855 0.02 . 1 . . . . 324 LEU HN . 25154 1 868 . 1 1 190 190 LEU C C 13 178.6170 0.1 . 1 . . . . 324 LEU C . 25154 1 869 . 1 1 190 190 LEU CA C 13 56.8510 0.1 . 1 . . . . 324 LEU CA . 25154 1 870 . 1 1 190 190 LEU CB C 13 40.4920 0.1 . 1 . . . . 324 LEU CB . 25154 1 871 . 1 1 190 190 LEU N N 15 131.2574 0.1 . 1 . . . . 324 LEU N . 25154 1 872 . 1 1 191 191 SER C C 13 176.2870 0.1 . 1 . . . . 325 SER C . 25154 1 873 . 1 1 191 191 SER CA C 13 61.6760 0.1 . 1 . . . . 325 SER CA . 25154 1 874 . 1 1 191 191 SER CB C 13 60.3320 0.1 . 1 . . . . 325 SER CB . 25154 1 875 . 1 1 192 192 GLN H H 1 7.3810 0.02 . 1 . . . . 326 GLN HN . 25154 1 876 . 1 1 192 192 GLN HE21 H 1 7.6594 0.02 . 2 . . . . 326 GLN HE21 . 25154 1 877 . 1 1 192 192 GLN HE22 H 1 7.5546 0.02 . 2 . . . . 326 GLN HE22 . 25154 1 878 . 1 1 192 192 GLN C C 13 178.6510 0.1 . 1 . . . . 326 GLN C . 25154 1 879 . 1 1 192 192 GLN CA C 13 57.8960 0.1 . 1 . . . . 326 GLN CA . 25154 1 880 . 1 1 192 192 GLN CB C 13 27.6300 0.1 . 1 . . . . 326 GLN CB . 25154 1 881 . 1 1 192 192 GLN N N 15 120.3714 0.1 . 1 . . . . 326 GLN N . 25154 1 882 . 1 1 192 192 GLN NE2 N 15 115.5267 0.1 . 1 . . . . 326 GLN NE2 . 25154 1 883 . 1 1 193 193 GLU H H 1 7.5596 0.02 . 1 . . . . 327 GLU HN . 25154 1 884 . 1 1 193 193 GLU C C 13 178.9460 0.1 . 1 . . . . 327 GLU C . 25154 1 885 . 1 1 193 193 GLU CA C 13 57.9800 0.1 . 1 . . . . 327 GLU CA . 25154 1 886 . 1 1 193 193 GLU CB C 13 28.0070 0.1 . 1 . . . . 327 GLU CB . 25154 1 887 . 1 1 193 193 GLU N N 15 121.6733 0.1 . 1 . . . . 327 GLU N . 25154 1 888 . 1 1 194 194 VAL H H 1 8.2440 0.02 . 1 . . . . 328 VAL HN . 25154 1 889 . 1 1 194 194 VAL C C 13 178.6380 0.1 . 1 . . . . 328 VAL C . 25154 1 890 . 1 1 194 194 VAL CA C 13 66.6890 0.1 . 1 . . . . 328 VAL CA . 25154 1 891 . 1 1 194 194 VAL CB C 13 30.5150 0.1 . 1 . . . . 328 VAL CB . 25154 1 892 . 1 1 194 194 VAL N N 15 118.6746 0.1 . 1 . . . . 328 VAL N . 25154 1 893 . 1 1 195 195 LEU H H 1 8.0946 0.02 . 1 . . . . 329 LEU HN . 25154 1 894 . 1 1 195 195 LEU C C 13 178.1860 0.1 . 1 . . . . 329 LEU C . 25154 1 895 . 1 1 195 195 LEU CA C 13 57.5620 0.1 . 1 . . . . 329 LEU CA . 25154 1 896 . 1 1 195 195 LEU CB C 13 40.5900 0.1 . 1 . . . . 329 LEU CB . 25154 1 897 . 1 1 195 195 LEU N N 15 118.4957 0.1 . 1 . . . . 329 LEU N . 25154 1 898 . 1 1 196 196 ARG H H 1 7.5984 0.02 . 1 . . . . 330 ARG HN . 25154 1 899 . 1 1 196 196 ARG C C 13 179.1550 0.1 . 1 . . . . 330 ARG C . 25154 1 900 . 1 1 196 196 ARG CA C 13 58.9830 0.1 . 1 . . . . 330 ARG CA . 25154 1 901 . 1 1 196 196 ARG CB C 13 28.8850 0.1 . 1 . . . . 330 ARG CB . 25154 1 902 . 1 1 196 196 ARG N N 15 116.8808 0.1 . 1 . . . . 330 ARG N . 25154 1 903 . 1 1 197 197 HIS H H 1 7.3652 0.02 . 1 . . . . 331 HIS HN . 25154 1 904 . 1 1 197 197 HIS C C 13 178.4580 0.1 . 1 . . . . 331 HIS C . 25154 1 905 . 1 1 197 197 HIS CA C 13 60.0280 0.1 . 1 . . . . 331 HIS CA . 25154 1 906 . 1 1 197 197 HIS CB C 13 29.9710 0.1 . 1 . . . . 331 HIS CB . 25154 1 907 . 1 1 197 197 HIS N N 15 116.2370 0.1 . 1 . . . . 331 HIS N . 25154 1 908 . 1 1 198 198 ILE H H 1 8.0025 0.02 . 1 . . . . 332 ILE HN . 25154 1 909 . 1 1 198 198 ILE C C 13 178.0360 0.1 . 1 . . . . 332 ILE C . 25154 1 910 . 1 1 198 198 ILE CA C 13 64.0830 0.1 . 1 . . . . 332 ILE CA . 25154 1 911 . 1 1 198 198 ILE CB C 13 37.3710 0.1 . 1 . . . . 332 ILE CB . 25154 1 912 . 1 1 198 198 ILE N N 15 118.0461 0.1 . 1 . . . . 332 ILE N . 25154 1 913 . 1 1 199 199 ARG H H 1 7.7116 0.02 . 1 . . . . 333 ARG HN . 25154 1 914 . 1 1 199 199 ARG C C 13 176.7540 0.1 . 1 . . . . 333 ARG C . 25154 1 915 . 1 1 199 199 ARG CA C 13 56.6840 0.1 . 1 . . . . 333 ARG CA . 25154 1 916 . 1 1 199 199 ARG CB C 13 29.5950 0.1 . 1 . . . . 333 ARG CB . 25154 1 917 . 1 1 199 199 ARG N N 15 116.2216 0.1 . 1 . . . . 333 ARG N . 25154 1 918 . 1 1 200 200 GLN H H 1 7.3610 0.02 . 1 . . . . 334 GLN HN . 25154 1 919 . 1 1 200 200 GLN HE21 H 1 7.0418 0.02 . 2 . . . . 334 GLN HE21 . 25154 1 920 . 1 1 200 200 GLN C C 13 176.1410 0.1 . 1 . . . . 334 GLN C . 25154 1 921 . 1 1 200 200 GLN CA C 13 56.2240 0.1 . 1 . . . . 334 GLN CA . 25154 1 922 . 1 1 200 200 GLN CB C 13 28.0480 0.1 . 1 . . . . 334 GLN CB . 25154 1 923 . 1 1 200 200 GLN N N 15 119.3121 0.1 . 1 . . . . 334 GLN N . 25154 1 924 . 1 1 200 200 GLN NE2 N 15 110.8143 0.1 . 1 . . . . 334 GLN NE2 . 25154 1 925 . 1 1 201 201 GLU H H 1 8.3328 0.02 . 1 . . . . 335 GLU HN . 25154 1 926 . 1 1 201 201 GLU C C 13 175.7920 0.1 . 1 . . . . 335 GLU C . 25154 1 927 . 1 1 201 201 GLU CA C 13 56.3080 0.1 . 1 . . . . 335 GLU CA . 25154 1 928 . 1 1 201 201 GLU CB C 13 29.5980 0.1 . 1 . . . . 335 GLU CB . 25154 1 929 . 1 1 201 201 GLU N N 15 123.2568 0.1 . 1 . . . . 335 GLU N . 25154 1 930 . 1 1 202 202 GLU H H 1 7.8790 0.02 . 1 . . . . 336 GLU HN . 25154 1 931 . 1 1 202 202 GLU C C 13 176.4890 0.1 . 1 . . . . 336 GLU C . 25154 1 932 . 1 1 202 202 GLU CA C 13 57.6040 0.1 . 1 . . . . 336 GLU CA . 25154 1 933 . 1 1 202 202 GLU CB C 13 30.1800 0.1 . 1 . . . . 336 GLU CB . 25154 1 934 . 1 1 202 202 GLU N N 15 125.4694 0.1 . 1 . . . . 336 GLU N . 25154 1 935 . 1 1 204 204 GLU H H 1 8.1700 0.02 . 1 . . . . 338 GLU HN . 25154 1 936 . 1 1 204 204 GLU C C 13 176.5430 0.1 . 1 . . . . 338 GLU C . 25154 1 937 . 1 1 204 204 GLU CA C 13 56.3910 0.1 . 1 . . . . 338 GLU CA . 25154 1 938 . 1 1 204 204 GLU CB C 13 30.2430 0.1 . 1 . . . . 338 GLU CB . 25154 1 939 . 1 1 204 204 GLU N N 15 122.1700 0.1 . 1 . . . . 338 GLU N . 25154 1 940 . 1 1 205 205 GLU H H 1 8.2238 0.02 . 1 . . . . 339 GLU HN . 25154 1 941 . 1 1 205 205 GLU C C 13 176.5590 0.1 . 1 . . . . 339 GLU C . 25154 1 942 . 1 1 205 205 GLU CA C 13 56.4100 0.1 . 1 . . . . 339 GLU CA . 25154 1 943 . 1 1 205 205 GLU CB C 13 29.4560 0.1 . 1 . . . . 339 GLU CB . 25154 1 944 . 1 1 205 205 GLU N N 15 121.1721 0.1 . 1 . . . . 339 GLU N . 25154 1 945 . 1 1 206 206 VAL H H 1 8.1088 0.02 . 1 . . . . 340 VAL HN . 25154 1 946 . 1 1 206 206 VAL C C 13 176.5100 0.1 . 1 . . . . 340 VAL C . 25154 1 947 . 1 1 206 206 VAL CA C 13 62.3590 0.1 . 1 . . . . 340 VAL CA . 25154 1 948 . 1 1 206 206 VAL CB C 13 31.9580 0.1 . 1 . . . . 340 VAL CB . 25154 1 949 . 1 1 206 206 VAL N N 15 120.8020 0.1 . 1 . . . . 340 VAL N . 25154 1 950 . 1 1 207 207 THR H H 1 8.1340 0.02 . 1 . . . . 341 THR HN . 25154 1 951 . 1 1 207 207 THR C C 13 174.4920 0.1 . 1 . . . . 341 THR C . 25154 1 952 . 1 1 207 207 THR CA C 13 61.8320 0.1 . 1 . . . . 341 THR CA . 25154 1 953 . 1 1 207 207 THR CB C 13 69.3810 0.1 . 1 . . . . 341 THR CB . 25154 1 954 . 1 1 207 207 THR N N 15 117.4489 0.1 . 1 . . . . 341 THR N . 25154 1 955 . 1 1 208 208 MET H H 1 8.2833 0.02 . 1 . . . . 342 MET HN . 25154 1 956 . 1 1 208 208 MET C C 13 175.7380 0.1 . 1 . . . . 342 MET C . 25154 1 957 . 1 1 208 208 MET CA C 13 55.3480 0.1 . 1 . . . . 342 MET CA . 25154 1 958 . 1 1 208 208 MET CB C 13 32.2400 0.1 . 1 . . . . 342 MET CB . 25154 1 959 . 1 1 208 208 MET N N 15 122.3612 0.1 . 1 . . . . 342 MET N . 25154 1 960 . 1 1 209 209 ASN H H 1 8.3018 0.02 . 1 . . . . 343 ASN HN . 25154 1 961 . 1 1 209 209 ASN C C 13 174.2820 0.1 . 1 . . . . 343 ASN C . 25154 1 962 . 1 1 209 209 ASN CA C 13 52.8420 0.1 . 1 . . . . 343 ASN CA . 25154 1 963 . 1 1 209 209 ASN CB C 13 38.5910 0.1 . 1 . . . . 343 ASN CB . 25154 1 964 . 1 1 209 209 ASN N N 15 119.2315 0.1 . 1 . . . . 343 ASN N . 25154 1 965 . 1 1 210 210 ALA H H 1 8.0897 0.02 . 1 . . . . 344 ALA HN . 25154 1 966 . 1 1 210 210 ALA C C 13 175.3280 0.1 . 1 . . . . 344 ALA C . 25154 1 967 . 1 1 210 210 ALA CA C 13 50.3720 0.1 . 1 . . . . 344 ALA CA . 25154 1 968 . 1 1 210 210 ALA CB C 13 17.6240 0.1 . 1 . . . . 344 ALA CB . 25154 1 969 . 1 1 210 210 ALA N N 15 125.0547 0.1 . 1 . . . . 344 ALA N . 25154 1 970 . 1 1 211 211 PRO C C 13 177.0400 0.1 . 1 . . . . 345 PRO C . 25154 1 971 . 1 1 211 211 PRO CA C 13 62.7690 0.1 . 1 . . . . 345 PRO CA . 25154 1 972 . 1 1 211 211 PRO CB C 13 31.1790 0.1 . 1 . . . . 345 PRO CB . 25154 1 973 . 1 1 212 212 MET H H 1 8.4213 0.02 . 1 . . . . 346 MET HN . 25154 1 974 . 1 1 212 212 MET C C 13 176.4360 0.1 . 1 . . . . 346 MET C . 25154 1 975 . 1 1 212 212 MET CA C 13 55.4250 0.1 . 1 . . . . 346 MET CA . 25154 1 976 . 1 1 212 212 MET CB C 13 32.3280 0.1 . 1 . . . . 346 MET CB . 25154 1 977 . 1 1 212 212 MET N N 15 120.1913 0.1 . 1 . . . . 346 MET N . 25154 1 978 . 1 1 213 213 THR H H 1 8.0693 0.02 . 1 . . . . 347 THR HN . 25154 1 979 . 1 1 213 213 THR C C 13 174.3540 0.1 . 1 . . . . 347 THR C . 25154 1 980 . 1 1 213 213 THR CA C 13 61.5350 0.1 . 1 . . . . 347 THR CA . 25154 1 981 . 1 1 213 213 THR CB C 13 69.5040 0.1 . 1 . . . . 347 THR CB . 25154 1 982 . 1 1 213 213 THR N N 15 114.7205 0.1 . 1 . . . . 347 THR N . 25154 1 983 . 1 1 214 214 SER H H 1 8.2283 0.02 . 1 . . . . 348 SER HN . 25154 1 984 . 1 1 214 214 SER C C 13 174.1430 0.1 . 1 . . . . 348 SER C . 25154 1 985 . 1 1 214 214 SER CA C 13 57.9340 0.1 . 1 . . . . 348 SER CA . 25154 1 986 . 1 1 214 214 SER CB C 13 63.5660 0.1 . 1 . . . . 348 SER CB . 25154 1 987 . 1 1 214 214 SER N N 15 117.8260 0.1 . 1 . . . . 348 SER N . 25154 1 988 . 1 1 215 215 VAL H H 1 8.0460 0.02 . 1 . . . . 349 VAL HN . 25154 1 989 . 1 1 215 215 VAL C C 13 175.4170 0.1 . 1 . . . . 349 VAL C . 25154 1 990 . 1 1 215 215 VAL CA C 13 61.5280 0.1 . 1 . . . . 349 VAL CA . 25154 1 991 . 1 1 215 215 VAL CB C 13 32.0690 0.1 . 1 . . . . 349 VAL CB . 25154 1 992 . 1 1 215 215 VAL N N 15 121.3505 0.1 . 1 . . . . 349 VAL N . 25154 1 993 . 1 1 216 216 ALA H H 1 8.2376 0.02 . 1 . . . . 350 ALA HN . 25154 1 994 . 1 1 216 216 ALA C C 13 174.8130 0.1 . 1 . . . . 350 ALA C . 25154 1 995 . 1 1 216 216 ALA CA C 13 50.0310 0.1 . 1 . . . . 350 ALA CA . 25154 1 996 . 1 1 216 216 ALA CB C 13 17.6390 0.1 . 1 . . . . 350 ALA CB . 25154 1 997 . 1 1 216 216 ALA N N 15 128.8875 0.1 . 1 . . . . 350 ALA N . 25154 1 998 . 1 1 219 219 PRO C C 13 177.0510 0.1 . 1 . . . . 353 PRO C . 25154 1 999 . 1 1 219 219 PRO CA C 13 62.4750 0.1 . 1 . . . . 353 PRO CA . 25154 1 1000 . 1 1 219 219 PRO CB C 13 31.2400 0.1 . 1 . . . . 353 PRO CB . 25154 1 1001 . 1 1 220 220 SER H H 1 8.2258 0.02 . 1 . . . . 354 SER HN . 25154 1 1002 . 1 1 220 220 SER C C 13 174.7800 0.1 . 1 . . . . 354 SER C . 25154 1 1003 . 1 1 220 220 SER CA C 13 58.0950 0.1 . 1 . . . . 354 SER CA . 25154 1 1004 . 1 1 220 220 SER CB C 13 63.4790 0.1 . 1 . . . . 354 SER CB . 25154 1 1005 . 1 1 220 220 SER N N 15 115.2022 0.1 . 1 . . . . 354 SER N . 25154 1 1006 . 1 1 221 221 VAL H H 1 8.0291 0.02 . 1 . . . . 355 VAL HN . 25154 1 1007 . 1 1 221 221 VAL C C 13 176.1090 0.1 . 1 . . . . 355 VAL C . 25154 1 1008 . 1 1 221 221 VAL CA C 13 61.7190 0.1 . 1 . . . . 355 VAL CA . 25154 1 1009 . 1 1 221 221 VAL CB C 13 32.0050 0.1 . 1 . . . . 355 VAL CB . 25154 1 1010 . 1 1 221 221 VAL N N 15 121.0829 0.1 . 1 . . . . 355 VAL N . 25154 1 1011 . 1 1 222 222 LEU H H 1 8.1543 0.02 . 1 . . . . 356 LEU HN . 25154 1 1012 . 1 1 222 222 LEU C C 13 177.3060 0.1 . 1 . . . . 356 LEU C . 25154 1 1013 . 1 1 222 222 LEU CA C 13 54.8580 0.1 . 1 . . . . 356 LEU CA . 25154 1 1014 . 1 1 222 222 LEU CB C 13 41.4870 0.1 . 1 . . . . 356 LEU CB . 25154 1 1015 . 1 1 222 222 LEU N N 15 124.6270 0.1 . 1 . . . . 356 LEU N . 25154 1 1016 . 1 1 223 223 SER H H 1 8.1361 0.02 . 1 . . . . 357 SER HN . 25154 1 1017 . 1 1 223 223 SER C C 13 174.3210 0.1 . 1 . . . . 357 SER C . 25154 1 1018 . 1 1 223 223 SER CA C 13 58.1520 0.1 . 1 . . . . 357 SER CA . 25154 1 1019 . 1 1 223 223 SER CB C 13 63.5270 0.1 . 1 . . . . 357 SER CB . 25154 1 1020 . 1 1 223 223 SER N N 15 116.0046 0.1 . 1 . . . . 357 SER N . 25154 1 1021 . 1 1 224 224 GLN H H 1 8.2502 0.02 . 1 . . . . 358 GLN HN . 25154 1 1022 . 1 1 224 224 GLN C C 13 175.5170 0.1 . 1 . . . . 358 GLN C . 25154 1 1023 . 1 1 224 224 GLN CA C 13 55.3640 0.1 . 1 . . . . 358 GLN CA . 25154 1 1024 . 1 1 224 224 GLN CB C 13 28.9980 0.1 . 1 . . . . 358 GLN CB . 25154 1 1025 . 1 1 224 224 GLN N N 15 121.7010 0.1 . 1 . . . . 358 GLN N . 25154 1 1026 . 1 1 225 225 GLU H H 1 8.2804 0.02 . 1 . . . . 359 GLU HN . 25154 1 1027 . 1 1 225 225 GLU C C 13 174.6420 0.1 . 1 . . . . 359 GLU C . 25154 1 1028 . 1 1 225 225 GLU CA C 13 54.3240 0.1 . 1 . . . . 359 GLU CA . 25154 1 1029 . 1 1 225 225 GLU CB C 13 29.0050 0.1 . 1 . . . . 359 GLU CB . 25154 1 1030 . 1 1 225 225 GLU N N 15 123.1685 0.1 . 1 . . . . 359 GLU N . 25154 1 1031 . 1 1 226 226 PRO C C 13 176.9340 0.1 . 1 . . . . 360 PRO C . 25154 1 1032 . 1 1 226 226 PRO CA C 13 63.1310 0.1 . 1 . . . . 360 PRO CA . 25154 1 1033 . 1 1 226 226 PRO CB C 13 31.1310 0.1 . 1 . . . . 360 PRO CB . 25154 1 1034 . 1 1 227 227 ARG H H 1 8.3187 0.02 . 1 . . . . 361 ARG HN . 25154 1 1035 . 1 1 227 227 ARG C C 13 176.0370 0.1 . 1 . . . . 361 ARG C . 25154 1 1036 . 1 1 227 227 ARG CA C 13 55.7470 0.1 . 1 . . . . 361 ARG CA . 25154 1 1037 . 1 1 227 227 ARG CB C 13 29.8730 0.1 . 1 . . . . 361 ARG CB . 25154 1 1038 . 1 1 227 227 ARG N N 15 120.4083 0.1 . 1 . . . . 361 ARG N . 25154 1 1039 . 1 1 228 228 LEU H H 1 8.1087 0.02 . 1 . . . . 362 LEU HN . 25154 1 1040 . 1 1 228 228 LEU C C 13 176.8800 0.1 . 1 . . . . 362 LEU C . 25154 1 1041 . 1 1 228 228 LEU CA C 13 54.7370 0.1 . 1 . . . . 362 LEU CA . 25154 1 1042 . 1 1 228 228 LEU CB C 13 41.5140 0.1 . 1 . . . . 362 LEU CB . 25154 1 1043 . 1 1 228 228 LEU N N 15 122.8226 0.1 . 1 . . . . 362 LEU N . 25154 1 1044 . 1 1 229 229 LEU H H 1 8.1252 0.02 . 1 . . . . 363 LEU HN . 25154 1 1045 . 1 1 229 229 LEU C C 13 176.9510 0.1 . 1 . . . . 363 LEU C . 25154 1 1046 . 1 1 229 229 LEU CA C 13 54.6450 0.1 . 1 . . . . 363 LEU CA . 25154 1 1047 . 1 1 229 229 LEU CB C 13 41.3980 0.1 . 1 . . . . 363 LEU CB . 25154 1 1048 . 1 1 229 229 LEU N N 15 123.1448 0.1 . 1 . . . . 363 LEU N . 25154 1 1049 . 1 1 230 230 ILE H H 1 7.9868 0.02 . 1 . . . . 364 ILE HN . 25154 1 1050 . 1 1 230 230 ILE C C 13 176.1610 0.1 . 1 . . . . 364 ILE C . 25154 1 1051 . 1 1 230 230 ILE CA C 13 60.6180 0.1 . 1 . . . . 364 ILE CA . 25154 1 1052 . 1 1 230 230 ILE CB C 13 38.0640 0.1 . 1 . . . . 364 ILE CB . 25154 1 1053 . 1 1 230 230 ILE N N 15 121.3764 0.1 . 1 . . . . 364 ILE N . 25154 1 1054 . 1 1 231 231 SER H H 1 8.3148 0.02 . 1 . . . . 365 SER HN . 25154 1 1055 . 1 1 231 231 SER C C 13 174.9960 0.1 . 1 . . . . 365 SER C . 25154 1 1056 . 1 1 231 231 SER CA C 13 58.3710 0.1 . 1 . . . . 365 SER CA . 25154 1 1057 . 1 1 231 231 SER CB C 13 63.5720 0.1 . 1 . . . . 365 SER CB . 25154 1 1058 . 1 1 231 231 SER N N 15 119.5669 0.1 . 1 . . . . 365 SER N . 25154 1 1059 . 1 1 232 232 GLY H H 1 8.3817 0.02 . 1 . . . . 366 GLY HN . 25154 1 1060 . 1 1 232 232 GLY C C 13 174.1770 0.1 . 1 . . . . 366 GLY C . 25154 1 1061 . 1 1 232 232 GLY CA C 13 45.1710 0.1 . 1 . . . . 366 GLY CA . 25154 1 1062 . 1 1 232 232 GLY N N 15 110.6115 0.1 . 1 . . . . 366 GLY N . 25154 1 1063 . 1 1 233 233 MET H H 1 8.0972 0.02 . 1 . . . . 367 MET HN . 25154 1 1064 . 1 1 233 233 MET C C 13 175.8050 0.1 . 1 . . . . 367 MET C . 25154 1 1065 . 1 1 233 233 MET CA C 13 55.2560 0.1 . 1 . . . . 367 MET CA . 25154 1 1066 . 1 1 233 233 MET CB C 13 32.3950 0.1 . 1 . . . . 367 MET CB . 25154 1 1067 . 1 1 233 233 MET N N 15 119.1164 0.1 . 1 . . . . 367 MET N . 25154 1 1068 . 1 1 234 234 ASP H H 1 8.3406 0.02 . 1 . . . . 368 ASP HN . 25154 1 1069 . 1 1 234 234 ASP C C 13 175.6220 0.1 . 1 . . . . 368 ASP C . 25154 1 1070 . 1 1 234 234 ASP CA C 13 54.1480 0.1 . 1 . . . . 368 ASP CA . 25154 1 1071 . 1 1 234 234 ASP CB C 13 40.5170 0.1 . 1 . . . . 368 ASP CB . 25154 1 1072 . 1 1 234 234 ASP N N 15 120.7097 0.1 . 1 . . . . 368 ASP N . 25154 1 1073 . 1 1 235 235 GLN H H 1 8.0429 0.02 . 1 . . . . 369 GLN HN . 25154 1 1074 . 1 1 235 235 GLN C C 13 173.7110 0.1 . 1 . . . . 369 GLN C . 25154 1 1075 . 1 1 235 235 GLN CA C 13 56.4030 0.1 . 1 . . . . 369 GLN CA . 25154 1 1076 . 1 1 235 235 GLN CB C 13 28.6150 0.1 . 1 . . . . 369 GLN CB . 25154 1 1077 . 1 1 235 235 GLN N N 15 120.5116 0.1 . 1 . . . . 369 GLN N . 25154 1 1078 . 1 1 236 236 PRO C C 13 176.5970 0.1 . 1 . . . . 370 PRO C . 25154 1 1079 . 1 1 236 236 PRO CA C 13 62.6460 0.1 . 1 . . . . 370 PRO CA . 25154 1 1080 . 1 1 236 236 PRO CB C 13 31.3430 0.1 . 1 . . . . 370 PRO CB . 25154 1 1081 . 1 1 237 237 LEU H H 1 8.1984 0.02 . 1 . . . . 371 LEU HN . 25154 1 1082 . 1 1 237 237 LEU C C 13 175.4230 0.1 . 1 . . . . 371 LEU C . 25154 1 1083 . 1 1 237 237 LEU CA C 13 52.8470 0.1 . 1 . . . . 371 LEU CA . 25154 1 1084 . 1 1 237 237 LEU CB C 13 40.9230 0.1 . 1 . . . . 371 LEU CB . 25154 1 1085 . 1 1 237 237 LEU N N 15 123.3123 0.1 . 1 . . . . 371 LEU N . 25154 1 1086 . 1 1 238 238 PRO C C 13 176.6120 0.1 . 1 . . . . 372 PRO C . 25154 1 1087 . 1 1 238 238 PRO CA C 13 62.5300 0.1 . 1 . . . . 372 PRO CA . 25154 1 1088 . 1 1 238 238 PRO CB C 13 31.1310 0.1 . 1 . . . . 372 PRO CB . 25154 1 1089 . 1 1 239 239 LEU H H 1 8.1550 0.02 . 1 . . . . 373 LEU HN . 25154 1 1090 . 1 1 239 239 LEU C C 13 177.3370 0.1 . 1 . . . . 373 LEU C . 25154 1 1091 . 1 1 239 239 LEU CA C 13 54.8710 0.1 . 1 . . . . 373 LEU CA . 25154 1 1092 . 1 1 239 239 LEU CB C 13 41.6340 0.1 . 1 . . . . 373 LEU CB . 25154 1 1093 . 1 1 239 239 LEU N N 15 122.0306 0.1 . 1 . . . . 373 LEU N . 25154 1 1094 . 1 1 240 240 ARG H H 1 8.2721 0.02 . 1 . . . . 374 ARG HN . 25154 1 1095 . 1 1 240 240 ARG C C 13 176.5090 0.1 . 1 . . . . 374 ARG C . 25154 1 1096 . 1 1 240 240 ARG CA C 13 55.5070 0.1 . 1 . . . . 374 ARG CA . 25154 1 1097 . 1 1 240 240 ARG CB C 13 30.1120 0.1 . 1 . . . . 374 ARG CB . 25154 1 1098 . 1 1 240 240 ARG N N 15 121.7916 0.1 . 1 . . . . 374 ARG N . 25154 1 1099 . 1 1 241 241 THR H H 1 8.2280 0.02 . 1 . . . . 375 THR HN . 25154 1 1100 . 1 1 241 241 THR C C 13 174.1860 0.1 . 1 . . . . 375 THR C . 25154 1 1101 . 1 1 241 241 THR CA C 13 61.5860 0.1 . 1 . . . . 375 THR CA . 25154 1 1102 . 1 1 241 241 THR CB C 13 69.2130 0.1 . 1 . . . . 375 THR CB . 25154 1 1103 . 1 1 241 241 THR N N 15 114.3618 0.1 . 1 . . . . 375 THR N . 25154 1 1104 . 1 1 242 242 ASP H H 1 8.4046 0.02 . 1 . . . . 376 ASP HN . 25154 1 1105 . 1 1 242 242 ASP C C 13 175.6760 0.1 . 1 . . . . 376 ASP C . 25154 1 1106 . 1 1 242 242 ASP CA C 13 53.9960 0.1 . 1 . . . . 376 ASP CA . 25154 1 1107 . 1 1 242 242 ASP CB C 13 40.3760 0.1 . 1 . . . . 376 ASP CB . 25154 1 1108 . 1 1 242 242 ASP N N 15 121.2339 0.1 . 1 . . . . 376 ASP N . 25154 1 1109 . 1 1 243 243 LEU H H 1 7.9461 0.02 . 1 . . . . 377 LEU HN . 25154 1 1110 . 1 1 243 243 LEU C C 13 176.1160 0.1 . 1 . . . . 377 LEU C . 25154 1 1111 . 1 1 243 243 LEU CA C 13 54.9560 0.1 . 1 . . . . 377 LEU CA . 25154 1 1112 . 1 1 243 243 LEU CB C 13 41.4480 0.1 . 1 . . . . 377 LEU CB . 25154 1 1113 . 1 1 243 243 LEU N N 15 121.7268 0.1 . 1 . . . . 377 LEU N . 25154 1 1114 . 1 1 244 244 ILE H H 1 7.4592 0.02 . 1 . . . . 378 ILE HN . 25154 1 1115 . 1 1 244 244 ILE C C 13 180.9190 0.1 . 1 . . . . 378 ILE C . 25154 1 1116 . 1 1 244 244 ILE CA C 13 62.4950 0.1 . 1 . . . . 378 ILE CA . 25154 1 1117 . 1 1 244 244 ILE CB C 13 39.0170 0.1 . 1 . . . . 378 ILE CB . 25154 1 1118 . 1 1 244 244 ILE N N 15 125.2828 0.1 . 1 . . . . 378 ILE N . 25154 1 stop_ save_