data_26702 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26702 _Entry.Title ; Partial assignments of full-length (deltaAH)-NS5A protein from Hepatitis C Virus (Con1) produced in wheat germ cell-free system ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-05 _Entry.Accession_date 2015-11-05 _Entry.Last_release_date 2015-11-05 _Entry.Original_release_date 2015-11-05 _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 ; The data from this entry were obtained on a (deltaAH)-NS5A-D1D2D3 protein from Hepatitis C Virus (Con1) produced in wheat germ cell-free system. Only resonances from the domains 2 and 3 of the protein were detected. Due to phosphorylation on both Ser and Thr residues, the spectrum has multiple resonances for residues between 398-416, 427-441 and 432-437. These populations have varying intensities and were assigned as a major and three minor populations. ; _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 Xavier Hanoulle . . . . 26702 2 Stephane Sarrazin . . . . 26702 3 Marie-Laure Fogeron . . . . 26702 4 Aurelie Badillo . . . . 26702 5 Francois-Xavier Cantrelle . . . . 26702 6 Francois Penin . . . . 26702 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CNRS UMR8576, Univ. Lille' . 26702 2 . 'CNRS UMR5086, Univ. Lyon' . 26702 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 26702 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 26702 '15N chemical shifts' 147 26702 '1H chemical shifts' 147 26702 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 . . 2017-07-20 2015-11-05 update BMRB 'update entry citation' 26702 1 . . 2017-06-19 2015-11-05 original author 'original release' 26702 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16166 '1H, 15N and 13C backbone resonance assignments of domain 3 of the non-structural 5A (NS5A) protein from Hepatitis C Virus (Con1)' 26702 BMRB 16800 ; 1H, 15N and 13C backbone resonance assignments of domain 3 of the non-structural 5A (NS5A) protein from Hepatitis C Virus (Con1) in presence of 50%TFE ; 26702 BMRB 19055 '1H, 15N and 13C backbone resonance assignments of domain 2 of the non-structural 5A (NS5A) protein from Hepatitis C Virus (Con1)' 26702 GB AJ238799.1 'Hepatitis C virus type 1b complete genome, isolate Con1' 26702 PDB 2M5L ; A Proline-Tryptophan Turn in the Intrinsically Disordered Domain 2 of NS5A Protein Is Essential for Hepatitis C Virus RNA Replication ; 26702 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26702 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28535337 _Citation.Full_citation . _Citation.Title ; Overall Structural Model of NS5A Protein from Hepatitis C Virus and Modulation by Mutations Confering Resistance of Virus Replication to Cyclosporin A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 56 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 3029 _Citation.Page_last 3048 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aurelie Badillo A. . . . 26702 1 2 Veronique Receveur-Brechot V. . . . 26702 1 3 Stephane Sarrazin S. . . . 26702 1 4 Francois-Xavier Cantrelle F. X. . . 26702 1 5 Frederic Delolme F. . . . 26702 1 6 Marie-Laure Fogeron M. L. . . 26702 1 7 Jennifer Molle J. . . . 26702 1 8 Roland Montserret R. . . . 26702 1 9 Anja Bockmann A. . . . 26702 1 10 Ralf Bartenschlager R. . . . 26702 1 11 Volker Lohmann V. . . . 26702 1 12 Guy Lippens G. . . . 26702 1 13 Sylvie Ricard-Blum S. . . . 26702 1 14 Xavier Hanoulle X. . . . 26702 1 15 Francois Penin F. . . . 26702 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HCV 26702 1 IDP 26702 1 NMR 26702 1 cell-free 26702 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26702 _Assembly.ID 1 _Assembly.Name NS5A-D1D2D3 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _Assembly.Enzyme_commission_number . _Assembly.Details 'In solution, NS5A-D1D2D3 exists as high molecular weight assembly' _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 'NS5A-D1D2D3, Major conformer' 1 $NS5A-D1D2D3 A . yes native yes no . . ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This strongest intensity population is called Major conformer. ; 26702 1 2 'NS5A-D1D2D3, Minor conformer1' 2 $NS5A-D1D2D3_1 A . yes native yes no . . ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer1. ; 26702 1 3 'NS5A-D1D2D3, Minor conformer2' 3 $NS5A-D1D2D3_2 A . yes native yes no . . ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer2. ; 26702 1 4 'NS5A-D1D2D3, Minor conformer3' 4 $NS5A-D1D2D3_3 A . yes native yes no . . ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer3. ; 26702 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS5A-D1D2D3 _Entity.Sf_category entity _Entity.Sf_framecode NS5A-D1D2D3 _Entity.Entry_ID 26702 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NS5A-D1D2D3 _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 ; MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPSDDGDAG XDVEXYSXMPPLEGEPGDPD LXDGXWXXVXEEASEDVVCC SAWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 430 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'HCV RNA replication and viral particles production.' 26702 1 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 28 MET . 26702 1 2 29 ALA . 26702 1 3 30 ARG . 26702 1 4 31 LEU . 26702 1 5 32 PRO . 26702 1 6 33 GLY . 26702 1 7 34 VAL . 26702 1 8 35 PRO . 26702 1 9 36 PHE . 26702 1 10 37 PHE . 26702 1 11 38 SER . 26702 1 12 39 CYS . 26702 1 13 40 GLN . 26702 1 14 41 ARG . 26702 1 15 42 GLY . 26702 1 16 43 TYR . 26702 1 17 44 LYS . 26702 1 18 45 GLY . 26702 1 19 46 VAL . 26702 1 20 47 TRP . 26702 1 21 48 ARG . 26702 1 22 49 GLY . 26702 1 23 50 ASP . 26702 1 24 51 GLY . 26702 1 25 52 ILE . 26702 1 26 53 MET . 26702 1 27 54 GLN . 26702 1 28 55 THR . 26702 1 29 56 THR . 26702 1 30 57 CYS . 26702 1 31 58 PRO . 26702 1 32 59 CYS . 26702 1 33 60 GLY . 26702 1 34 61 ALA . 26702 1 35 62 GLN . 26702 1 36 63 ILE . 26702 1 37 64 THR . 26702 1 38 65 GLY . 26702 1 39 66 HIS . 26702 1 40 67 VAL . 26702 1 41 68 LYS . 26702 1 42 69 ASN . 26702 1 43 70 GLY . 26702 1 44 71 SER . 26702 1 45 72 MET . 26702 1 46 73 ARG . 26702 1 47 74 ILE . 26702 1 48 75 VAL . 26702 1 49 76 GLY . 26702 1 50 77 PRO . 26702 1 51 78 ARG . 26702 1 52 79 THR . 26702 1 53 80 CYS . 26702 1 54 81 SER . 26702 1 55 82 ASN . 26702 1 56 83 THR . 26702 1 57 84 TRP . 26702 1 58 85 HIS . 26702 1 59 86 GLY . 26702 1 60 87 THR . 26702 1 61 88 PHE . 26702 1 62 89 PRO . 26702 1 63 90 ILE . 26702 1 64 91 ASN . 26702 1 65 92 ALA . 26702 1 66 93 TYR . 26702 1 67 94 THR . 26702 1 68 95 THR . 26702 1 69 96 GLY . 26702 1 70 97 PRO . 26702 1 71 98 CYS . 26702 1 72 99 THR . 26702 1 73 100 PRO . 26702 1 74 101 SER . 26702 1 75 102 PRO . 26702 1 76 103 ALA . 26702 1 77 104 PRO . 26702 1 78 105 ASN . 26702 1 79 106 TYR . 26702 1 80 107 SER . 26702 1 81 108 ARG . 26702 1 82 109 ALA . 26702 1 83 110 LEU . 26702 1 84 111 TRP . 26702 1 85 112 ARG . 26702 1 86 113 VAL . 26702 1 87 114 ALA . 26702 1 88 115 ALA . 26702 1 89 116 GLU . 26702 1 90 117 GLU . 26702 1 91 118 TYR . 26702 1 92 119 VAL . 26702 1 93 120 GLU . 26702 1 94 121 VAL . 26702 1 95 122 THR . 26702 1 96 123 ARG . 26702 1 97 124 VAL . 26702 1 98 125 GLY . 26702 1 99 126 ASP . 26702 1 100 127 PHE . 26702 1 101 128 HIS . 26702 1 102 129 TYR . 26702 1 103 130 VAL . 26702 1 104 131 THR . 26702 1 105 132 GLY . 26702 1 106 133 MET . 26702 1 107 134 THR . 26702 1 108 135 THR . 26702 1 109 136 ASP . 26702 1 110 137 ASN . 26702 1 111 138 VAL . 26702 1 112 139 LYS . 26702 1 113 140 CYS . 26702 1 114 141 PRO . 26702 1 115 142 CYS . 26702 1 116 143 GLN . 26702 1 117 144 VAL . 26702 1 118 145 PRO . 26702 1 119 146 ALA . 26702 1 120 147 PRO . 26702 1 121 148 GLU . 26702 1 122 149 PHE . 26702 1 123 150 PHE . 26702 1 124 151 THR . 26702 1 125 152 GLU . 26702 1 126 153 VAL . 26702 1 127 154 ASP . 26702 1 128 155 GLY . 26702 1 129 156 VAL . 26702 1 130 157 ARG . 26702 1 131 158 LEU . 26702 1 132 159 HIS . 26702 1 133 160 ARG . 26702 1 134 161 TYR . 26702 1 135 162 ALA . 26702 1 136 163 PRO . 26702 1 137 164 ALA . 26702 1 138 165 CYS . 26702 1 139 166 LYS . 26702 1 140 167 PRO . 26702 1 141 168 LEU . 26702 1 142 169 LEU . 26702 1 143 170 ARG . 26702 1 144 171 GLU . 26702 1 145 172 GLU . 26702 1 146 173 VAL . 26702 1 147 174 THR . 26702 1 148 175 PHE . 26702 1 149 176 LEU . 26702 1 150 177 VAL . 26702 1 151 178 GLY . 26702 1 152 179 LEU . 26702 1 153 180 ASN . 26702 1 154 181 GLN . 26702 1 155 182 TYR . 26702 1 156 183 LEU . 26702 1 157 184 VAL . 26702 1 158 185 GLY . 26702 1 159 186 SER . 26702 1 160 187 GLN . 26702 1 161 188 LEU . 26702 1 162 189 PRO . 26702 1 163 190 CYS . 26702 1 164 191 GLU . 26702 1 165 192 PRO . 26702 1 166 193 GLU . 26702 1 167 194 PRO . 26702 1 168 195 ASP . 26702 1 169 196 VAL . 26702 1 170 197 ALA . 26702 1 171 198 VAL . 26702 1 172 199 LEU . 26702 1 173 200 THR . 26702 1 174 201 SER . 26702 1 175 202 MET . 26702 1 176 203 LEU . 26702 1 177 204 THR . 26702 1 178 205 ASP . 26702 1 179 206 PRO . 26702 1 180 207 SER . 26702 1 181 208 HIS . 26702 1 182 209 ILE . 26702 1 183 210 THR . 26702 1 184 211 ALA . 26702 1 185 212 GLU . 26702 1 186 213 THR . 26702 1 187 214 ALA . 26702 1 188 215 LYS . 26702 1 189 216 ARG . 26702 1 190 217 ARG . 26702 1 191 218 LEU . 26702 1 192 219 ALA . 26702 1 193 220 ARG . 26702 1 194 221 GLY . 26702 1 195 222 SER . 26702 1 196 223 PRO . 26702 1 197 224 PRO . 26702 1 198 225 SER . 26702 1 199 226 LEU . 26702 1 200 227 ALA . 26702 1 201 228 SER . 26702 1 202 229 SER . 26702 1 203 230 SER . 26702 1 204 231 ALA . 26702 1 205 232 SER . 26702 1 206 233 GLN . 26702 1 207 234 LEU . 26702 1 208 235 SER . 26702 1 209 236 ALA . 26702 1 210 237 PRO . 26702 1 211 238 SER . 26702 1 212 239 LEU . 26702 1 213 240 LYS . 26702 1 214 241 ALA . 26702 1 215 242 THR . 26702 1 216 243 CYS . 26702 1 217 244 THR . 26702 1 218 245 THR . 26702 1 219 246 ARG . 26702 1 220 247 HIS . 26702 1 221 248 ASP . 26702 1 222 249 SER . 26702 1 223 250 PRO . 26702 1 224 251 ASP . 26702 1 225 252 ALA . 26702 1 226 253 ASP . 26702 1 227 254 LEU . 26702 1 228 255 ILE . 26702 1 229 256 GLU . 26702 1 230 257 ALA . 26702 1 231 258 ASN . 26702 1 232 259 LEU . 26702 1 233 260 LEU . 26702 1 234 261 TRP . 26702 1 235 262 ARG . 26702 1 236 263 GLN . 26702 1 237 264 GLU . 26702 1 238 265 MET . 26702 1 239 266 GLY . 26702 1 240 267 GLY . 26702 1 241 268 ASN . 26702 1 242 269 ILE . 26702 1 243 270 THR . 26702 1 244 271 ARG . 26702 1 245 272 VAL . 26702 1 246 273 GLU . 26702 1 247 274 SER . 26702 1 248 275 GLU . 26702 1 249 276 ASN . 26702 1 250 277 LYS . 26702 1 251 278 VAL . 26702 1 252 279 VAL . 26702 1 253 280 ILE . 26702 1 254 281 LEU . 26702 1 255 282 ASP . 26702 1 256 283 SER . 26702 1 257 284 PHE . 26702 1 258 285 GLU . 26702 1 259 286 PRO . 26702 1 260 287 LEU . 26702 1 261 288 GLN . 26702 1 262 289 ALA . 26702 1 263 290 GLU . 26702 1 264 291 GLU . 26702 1 265 292 ASP . 26702 1 266 293 GLU . 26702 1 267 294 ARG . 26702 1 268 295 GLU . 26702 1 269 296 VAL . 26702 1 270 297 SER . 26702 1 271 298 VAL . 26702 1 272 299 PRO . 26702 1 273 300 ALA . 26702 1 274 301 GLU . 26702 1 275 302 ILE . 26702 1 276 303 LEU . 26702 1 277 304 ARG . 26702 1 278 305 ARG . 26702 1 279 306 SER . 26702 1 280 307 ARG . 26702 1 281 308 LYS . 26702 1 282 309 PHE . 26702 1 283 310 PRO . 26702 1 284 311 ARG . 26702 1 285 312 ALA . 26702 1 286 313 MET . 26702 1 287 314 PRO . 26702 1 288 315 ILE . 26702 1 289 316 TRP . 26702 1 290 317 ALA . 26702 1 291 318 ARG . 26702 1 292 319 PRO . 26702 1 293 320 ASP . 26702 1 294 321 TYR . 26702 1 295 322 ASN . 26702 1 296 323 PRO . 26702 1 297 324 PRO . 26702 1 298 325 LEU . 26702 1 299 326 LEU . 26702 1 300 327 GLU . 26702 1 301 328 SER . 26702 1 302 329 TRP . 26702 1 303 330 LYS . 26702 1 304 331 ASP . 26702 1 305 332 PRO . 26702 1 306 333 ASP . 26702 1 307 334 TYR . 26702 1 308 335 VAL . 26702 1 309 336 PRO . 26702 1 310 337 PRO . 26702 1 311 338 VAL . 26702 1 312 339 VAL . 26702 1 313 340 HIS . 26702 1 314 341 GLY . 26702 1 315 342 CYS . 26702 1 316 343 PRO . 26702 1 317 344 LEU . 26702 1 318 345 PRO . 26702 1 319 346 PRO . 26702 1 320 347 ALA . 26702 1 321 348 LYS . 26702 1 322 349 ALA . 26702 1 323 350 PRO . 26702 1 324 351 PRO . 26702 1 325 352 ILE . 26702 1 326 353 PRO . 26702 1 327 354 PRO . 26702 1 328 355 PRO . 26702 1 329 356 ARG . 26702 1 330 357 ARG . 26702 1 331 358 LYS . 26702 1 332 359 ARG . 26702 1 333 360 THR . 26702 1 334 361 VAL . 26702 1 335 362 VAL . 26702 1 336 363 LEU . 26702 1 337 364 SER . 26702 1 338 365 GLU . 26702 1 339 366 SER . 26702 1 340 367 THR . 26702 1 341 368 VAL . 26702 1 342 369 SER . 26702 1 343 370 SER . 26702 1 344 371 ALA . 26702 1 345 372 LEU . 26702 1 346 373 ALA . 26702 1 347 374 GLU . 26702 1 348 375 LEU . 26702 1 349 376 ALA . 26702 1 350 377 THR . 26702 1 351 378 LYS . 26702 1 352 379 THR . 26702 1 353 380 PHE . 26702 1 354 381 GLY . 26702 1 355 382 SER . 26702 1 356 383 SER . 26702 1 357 384 GLU . 26702 1 358 385 SER . 26702 1 359 386 SER . 26702 1 360 387 ALA . 26702 1 361 388 VAL . 26702 1 362 389 ASP . 26702 1 363 390 SER . 26702 1 364 391 GLY . 26702 1 365 392 THR . 26702 1 366 393 ALA . 26702 1 367 394 THR . 26702 1 368 395 ALA . 26702 1 369 396 SER . 26702 1 370 397 PRO . 26702 1 371 398 ASP . 26702 1 372 399 GLN . 26702 1 373 400 PRO . 26702 1 374 401 SER . 26702 1 375 402 ASP . 26702 1 376 403 ASP . 26702 1 377 404 GLY . 26702 1 378 405 ASP . 26702 1 379 406 ALA . 26702 1 380 407 GLY . 26702 1 381 408 SEP . 26702 1 382 409 ASP . 26702 1 383 410 VAL . 26702 1 384 411 GLU . 26702 1 385 412 SEP . 26702 1 386 413 TYR . 26702 1 387 414 SER . 26702 1 388 415 SEP . 26702 1 389 416 MET . 26702 1 390 417 PRO . 26702 1 391 418 PRO . 26702 1 392 419 LEU . 26702 1 393 420 GLU . 26702 1 394 421 GLY . 26702 1 395 422 GLU . 26702 1 396 423 PRO . 26702 1 397 424 GLY . 26702 1 398 425 ASP . 26702 1 399 426 PRO . 26702 1 400 427 ASP . 26702 1 401 428 LEU . 26702 1 402 429 SEP . 26702 1 403 430 ASP . 26702 1 404 431 GLY . 26702 1 405 432 SEP . 26702 1 406 433 TRP . 26702 1 407 434 SEP . 26702 1 408 435 TPO . 26702 1 409 436 VAL . 26702 1 410 437 SEP . 26702 1 411 438 GLU . 26702 1 412 439 GLU . 26702 1 413 440 ALA . 26702 1 414 441 SER . 26702 1 415 442 GLU . 26702 1 416 443 ASP . 26702 1 417 444 VAL . 26702 1 418 445 VAL . 26702 1 419 446 CYS . 26702 1 420 447 CYS . 26702 1 421 448 SER . 26702 1 422 449 ALA . 26702 1 423 450 TRP . 26702 1 424 451 SER . 26702 1 425 452 HIS . 26702 1 426 453 PRO . 26702 1 427 454 GLN . 26702 1 428 455 PHE . 26702 1 429 456 GLU . 26702 1 430 457 LYS . 26702 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26702 1 . ALA 2 2 26702 1 . ARG 3 3 26702 1 . LEU 4 4 26702 1 . PRO 5 5 26702 1 . GLY 6 6 26702 1 . VAL 7 7 26702 1 . PRO 8 8 26702 1 . PHE 9 9 26702 1 . PHE 10 10 26702 1 . SER 11 11 26702 1 . CYS 12 12 26702 1 . GLN 13 13 26702 1 . ARG 14 14 26702 1 . GLY 15 15 26702 1 . TYR 16 16 26702 1 . LYS 17 17 26702 1 . GLY 18 18 26702 1 . VAL 19 19 26702 1 . TRP 20 20 26702 1 . ARG 21 21 26702 1 . GLY 22 22 26702 1 . ASP 23 23 26702 1 . GLY 24 24 26702 1 . ILE 25 25 26702 1 . MET 26 26 26702 1 . GLN 27 27 26702 1 . THR 28 28 26702 1 . THR 29 29 26702 1 . CYS 30 30 26702 1 . PRO 31 31 26702 1 . CYS 32 32 26702 1 . GLY 33 33 26702 1 . ALA 34 34 26702 1 . GLN 35 35 26702 1 . ILE 36 36 26702 1 . THR 37 37 26702 1 . GLY 38 38 26702 1 . HIS 39 39 26702 1 . VAL 40 40 26702 1 . LYS 41 41 26702 1 . ASN 42 42 26702 1 . GLY 43 43 26702 1 . SER 44 44 26702 1 . MET 45 45 26702 1 . ARG 46 46 26702 1 . ILE 47 47 26702 1 . VAL 48 48 26702 1 . GLY 49 49 26702 1 . PRO 50 50 26702 1 . ARG 51 51 26702 1 . THR 52 52 26702 1 . CYS 53 53 26702 1 . SER 54 54 26702 1 . ASN 55 55 26702 1 . THR 56 56 26702 1 . TRP 57 57 26702 1 . HIS 58 58 26702 1 . GLY 59 59 26702 1 . THR 60 60 26702 1 . PHE 61 61 26702 1 . PRO 62 62 26702 1 . ILE 63 63 26702 1 . ASN 64 64 26702 1 . ALA 65 65 26702 1 . TYR 66 66 26702 1 . THR 67 67 26702 1 . THR 68 68 26702 1 . GLY 69 69 26702 1 . PRO 70 70 26702 1 . CYS 71 71 26702 1 . THR 72 72 26702 1 . PRO 73 73 26702 1 . SER 74 74 26702 1 . PRO 75 75 26702 1 . ALA 76 76 26702 1 . PRO 77 77 26702 1 . ASN 78 78 26702 1 . TYR 79 79 26702 1 . SER 80 80 26702 1 . ARG 81 81 26702 1 . ALA 82 82 26702 1 . LEU 83 83 26702 1 . TRP 84 84 26702 1 . ARG 85 85 26702 1 . VAL 86 86 26702 1 . ALA 87 87 26702 1 . ALA 88 88 26702 1 . GLU 89 89 26702 1 . GLU 90 90 26702 1 . TYR 91 91 26702 1 . VAL 92 92 26702 1 . GLU 93 93 26702 1 . VAL 94 94 26702 1 . THR 95 95 26702 1 . ARG 96 96 26702 1 . VAL 97 97 26702 1 . GLY 98 98 26702 1 . ASP 99 99 26702 1 . PHE 100 100 26702 1 . HIS 101 101 26702 1 . TYR 102 102 26702 1 . VAL 103 103 26702 1 . THR 104 104 26702 1 . GLY 105 105 26702 1 . MET 106 106 26702 1 . THR 107 107 26702 1 . THR 108 108 26702 1 . ASP 109 109 26702 1 . ASN 110 110 26702 1 . VAL 111 111 26702 1 . LYS 112 112 26702 1 . CYS 113 113 26702 1 . PRO 114 114 26702 1 . CYS 115 115 26702 1 . GLN 116 116 26702 1 . VAL 117 117 26702 1 . PRO 118 118 26702 1 . ALA 119 119 26702 1 . PRO 120 120 26702 1 . GLU 121 121 26702 1 . PHE 122 122 26702 1 . PHE 123 123 26702 1 . THR 124 124 26702 1 . GLU 125 125 26702 1 . VAL 126 126 26702 1 . ASP 127 127 26702 1 . GLY 128 128 26702 1 . VAL 129 129 26702 1 . ARG 130 130 26702 1 . LEU 131 131 26702 1 . HIS 132 132 26702 1 . ARG 133 133 26702 1 . TYR 134 134 26702 1 . ALA 135 135 26702 1 . PRO 136 136 26702 1 . ALA 137 137 26702 1 . CYS 138 138 26702 1 . LYS 139 139 26702 1 . PRO 140 140 26702 1 . LEU 141 141 26702 1 . LEU 142 142 26702 1 . ARG 143 143 26702 1 . GLU 144 144 26702 1 . GLU 145 145 26702 1 . VAL 146 146 26702 1 . THR 147 147 26702 1 . PHE 148 148 26702 1 . LEU 149 149 26702 1 . VAL 150 150 26702 1 . GLY 151 151 26702 1 . LEU 152 152 26702 1 . ASN 153 153 26702 1 . GLN 154 154 26702 1 . TYR 155 155 26702 1 . LEU 156 156 26702 1 . VAL 157 157 26702 1 . GLY 158 158 26702 1 . SER 159 159 26702 1 . GLN 160 160 26702 1 . LEU 161 161 26702 1 . PRO 162 162 26702 1 . CYS 163 163 26702 1 . GLU 164 164 26702 1 . PRO 165 165 26702 1 . GLU 166 166 26702 1 . PRO 167 167 26702 1 . ASP 168 168 26702 1 . VAL 169 169 26702 1 . ALA 170 170 26702 1 . VAL 171 171 26702 1 . LEU 172 172 26702 1 . THR 173 173 26702 1 . SER 174 174 26702 1 . MET 175 175 26702 1 . LEU 176 176 26702 1 . THR 177 177 26702 1 . ASP 178 178 26702 1 . PRO 179 179 26702 1 . SER 180 180 26702 1 . HIS 181 181 26702 1 . ILE 182 182 26702 1 . THR 183 183 26702 1 . ALA 184 184 26702 1 . GLU 185 185 26702 1 . THR 186 186 26702 1 . ALA 187 187 26702 1 . LYS 188 188 26702 1 . ARG 189 189 26702 1 . ARG 190 190 26702 1 . LEU 191 191 26702 1 . ALA 192 192 26702 1 . ARG 193 193 26702 1 . GLY 194 194 26702 1 . SER 195 195 26702 1 . PRO 196 196 26702 1 . PRO 197 197 26702 1 . SER 198 198 26702 1 . LEU 199 199 26702 1 . ALA 200 200 26702 1 . SER 201 201 26702 1 . SER 202 202 26702 1 . SER 203 203 26702 1 . ALA 204 204 26702 1 . SER 205 205 26702 1 . GLN 206 206 26702 1 . LEU 207 207 26702 1 . SER 208 208 26702 1 . ALA 209 209 26702 1 . PRO 210 210 26702 1 . SER 211 211 26702 1 . LEU 212 212 26702 1 . LYS 213 213 26702 1 . ALA 214 214 26702 1 . THR 215 215 26702 1 . CYS 216 216 26702 1 . THR 217 217 26702 1 . THR 218 218 26702 1 . ARG 219 219 26702 1 . HIS 220 220 26702 1 . ASP 221 221 26702 1 . SER 222 222 26702 1 . PRO 223 223 26702 1 . ASP 224 224 26702 1 . ALA 225 225 26702 1 . ASP 226 226 26702 1 . LEU 227 227 26702 1 . ILE 228 228 26702 1 . GLU 229 229 26702 1 . ALA 230 230 26702 1 . ASN 231 231 26702 1 . LEU 232 232 26702 1 . LEU 233 233 26702 1 . TRP 234 234 26702 1 . ARG 235 235 26702 1 . GLN 236 236 26702 1 . GLU 237 237 26702 1 . MET 238 238 26702 1 . GLY 239 239 26702 1 . GLY 240 240 26702 1 . ASN 241 241 26702 1 . ILE 242 242 26702 1 . THR 243 243 26702 1 . ARG 244 244 26702 1 . VAL 245 245 26702 1 . GLU 246 246 26702 1 . SER 247 247 26702 1 . GLU 248 248 26702 1 . ASN 249 249 26702 1 . LYS 250 250 26702 1 . VAL 251 251 26702 1 . VAL 252 252 26702 1 . ILE 253 253 26702 1 . LEU 254 254 26702 1 . ASP 255 255 26702 1 . SER 256 256 26702 1 . PHE 257 257 26702 1 . GLU 258 258 26702 1 . PRO 259 259 26702 1 . LEU 260 260 26702 1 . GLN 261 261 26702 1 . ALA 262 262 26702 1 . GLU 263 263 26702 1 . GLU 264 264 26702 1 . ASP 265 265 26702 1 . GLU 266 266 26702 1 . ARG 267 267 26702 1 . GLU 268 268 26702 1 . VAL 269 269 26702 1 . SER 270 270 26702 1 . VAL 271 271 26702 1 . PRO 272 272 26702 1 . ALA 273 273 26702 1 . GLU 274 274 26702 1 . ILE 275 275 26702 1 . LEU 276 276 26702 1 . ARG 277 277 26702 1 . ARG 278 278 26702 1 . SER 279 279 26702 1 . ARG 280 280 26702 1 . LYS 281 281 26702 1 . PHE 282 282 26702 1 . PRO 283 283 26702 1 . ARG 284 284 26702 1 . ALA 285 285 26702 1 . MET 286 286 26702 1 . PRO 287 287 26702 1 . ILE 288 288 26702 1 . TRP 289 289 26702 1 . ALA 290 290 26702 1 . ARG 291 291 26702 1 . PRO 292 292 26702 1 . ASP 293 293 26702 1 . TYR 294 294 26702 1 . ASN 295 295 26702 1 . PRO 296 296 26702 1 . PRO 297 297 26702 1 . LEU 298 298 26702 1 . LEU 299 299 26702 1 . GLU 300 300 26702 1 . SER 301 301 26702 1 . TRP 302 302 26702 1 . LYS 303 303 26702 1 . ASP 304 304 26702 1 . PRO 305 305 26702 1 . ASP 306 306 26702 1 . TYR 307 307 26702 1 . VAL 308 308 26702 1 . PRO 309 309 26702 1 . PRO 310 310 26702 1 . VAL 311 311 26702 1 . VAL 312 312 26702 1 . HIS 313 313 26702 1 . GLY 314 314 26702 1 . CYS 315 315 26702 1 . PRO 316 316 26702 1 . LEU 317 317 26702 1 . PRO 318 318 26702 1 . PRO 319 319 26702 1 . ALA 320 320 26702 1 . LYS 321 321 26702 1 . ALA 322 322 26702 1 . PRO 323 323 26702 1 . PRO 324 324 26702 1 . ILE 325 325 26702 1 . PRO 326 326 26702 1 . PRO 327 327 26702 1 . PRO 328 328 26702 1 . ARG 329 329 26702 1 . ARG 330 330 26702 1 . LYS 331 331 26702 1 . ARG 332 332 26702 1 . THR 333 333 26702 1 . VAL 334 334 26702 1 . VAL 335 335 26702 1 . LEU 336 336 26702 1 . SER 337 337 26702 1 . GLU 338 338 26702 1 . SER 339 339 26702 1 . THR 340 340 26702 1 . VAL 341 341 26702 1 . SER 342 342 26702 1 . SER 343 343 26702 1 . ALA 344 344 26702 1 . LEU 345 345 26702 1 . ALA 346 346 26702 1 . GLU 347 347 26702 1 . LEU 348 348 26702 1 . ALA 349 349 26702 1 . THR 350 350 26702 1 . LYS 351 351 26702 1 . THR 352 352 26702 1 . PHE 353 353 26702 1 . GLY 354 354 26702 1 . SER 355 355 26702 1 . SER 356 356 26702 1 . GLU 357 357 26702 1 . SER 358 358 26702 1 . SER 359 359 26702 1 . ALA 360 360 26702 1 . VAL 361 361 26702 1 . ASP 362 362 26702 1 . SER 363 363 26702 1 . GLY 364 364 26702 1 . THR 365 365 26702 1 . ALA 366 366 26702 1 . THR 367 367 26702 1 . ALA 368 368 26702 1 . SER 369 369 26702 1 . PRO 370 370 26702 1 . ASP 371 371 26702 1 . GLN 372 372 26702 1 . PRO 373 373 26702 1 . SER 374 374 26702 1 . ASP 375 375 26702 1 . ASP 376 376 26702 1 . GLY 377 377 26702 1 . ASP 378 378 26702 1 . ALA 379 379 26702 1 . GLY 380 380 26702 1 . SEP 381 381 26702 1 . ASP 382 382 26702 1 . VAL 383 383 26702 1 . GLU 384 384 26702 1 . SEP 385 385 26702 1 . TYR 386 386 26702 1 . SER 387 387 26702 1 . SEP 388 388 26702 1 . MET 389 389 26702 1 . PRO 390 390 26702 1 . PRO 391 391 26702 1 . LEU 392 392 26702 1 . GLU 393 393 26702 1 . GLY 394 394 26702 1 . GLU 395 395 26702 1 . PRO 396 396 26702 1 . GLY 397 397 26702 1 . ASP 398 398 26702 1 . PRO 399 399 26702 1 . ASP 400 400 26702 1 . LEU 401 401 26702 1 . SEP 402 402 26702 1 . ASP 403 403 26702 1 . GLY 404 404 26702 1 . SEP 405 405 26702 1 . TRP 406 406 26702 1 . SEP 407 407 26702 1 . TPO 408 408 26702 1 . VAL 409 409 26702 1 . SEP 410 410 26702 1 . GLU 411 411 26702 1 . GLU 412 412 26702 1 . ALA 413 413 26702 1 . SER 414 414 26702 1 . GLU 415 415 26702 1 . ASP 416 416 26702 1 . VAL 417 417 26702 1 . VAL 418 418 26702 1 . CYS 419 419 26702 1 . CYS 420 420 26702 1 . SER 421 421 26702 1 . ALA 422 422 26702 1 . TRP 423 423 26702 1 . SER 424 424 26702 1 . HIS 425 425 26702 1 . PRO 426 426 26702 1 . GLN 427 427 26702 1 . PHE 428 428 26702 1 . GLU 429 429 26702 1 . LYS 430 430 26702 1 stop_ save_ save_NS5A-D1D2D3_1 _Entity.Sf_category entity _Entity.Sf_framecode NS5A-D1D2D3_1 _Entity.Entry_ID 26702 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NS5A-D1D2D3 _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 ; MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPXDDGDAG XDVESYSSMPPLEGEPGDPD LXDGXWXXVXEEASEDVVCC SAWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 430 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'HCV RNA replication and viral particles production.' 26702 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 28 MET . 26702 2 2 29 ALA . 26702 2 3 30 ARG . 26702 2 4 31 LEU . 26702 2 5 32 PRO . 26702 2 6 33 GLY . 26702 2 7 34 VAL . 26702 2 8 35 PRO . 26702 2 9 36 PHE . 26702 2 10 37 PHE . 26702 2 11 38 SER . 26702 2 12 39 CYS . 26702 2 13 40 GLN . 26702 2 14 41 ARG . 26702 2 15 42 GLY . 26702 2 16 43 TYR . 26702 2 17 44 LYS . 26702 2 18 45 GLY . 26702 2 19 46 VAL . 26702 2 20 47 TRP . 26702 2 21 48 ARG . 26702 2 22 49 GLY . 26702 2 23 50 ASP . 26702 2 24 51 GLY . 26702 2 25 52 ILE . 26702 2 26 53 MET . 26702 2 27 54 GLN . 26702 2 28 55 THR . 26702 2 29 56 THR . 26702 2 30 57 CYS . 26702 2 31 58 PRO . 26702 2 32 59 CYS . 26702 2 33 60 GLY . 26702 2 34 61 ALA . 26702 2 35 62 GLN . 26702 2 36 63 ILE . 26702 2 37 64 THR . 26702 2 38 65 GLY . 26702 2 39 66 HIS . 26702 2 40 67 VAL . 26702 2 41 68 LYS . 26702 2 42 69 ASN . 26702 2 43 70 GLY . 26702 2 44 71 SER . 26702 2 45 72 MET . 26702 2 46 73 ARG . 26702 2 47 74 ILE . 26702 2 48 75 VAL . 26702 2 49 76 GLY . 26702 2 50 77 PRO . 26702 2 51 78 ARG . 26702 2 52 79 THR . 26702 2 53 80 CYS . 26702 2 54 81 SER . 26702 2 55 82 ASN . 26702 2 56 83 THR . 26702 2 57 84 TRP . 26702 2 58 85 HIS . 26702 2 59 86 GLY . 26702 2 60 87 THR . 26702 2 61 88 PHE . 26702 2 62 89 PRO . 26702 2 63 90 ILE . 26702 2 64 91 ASN . 26702 2 65 92 ALA . 26702 2 66 93 TYR . 26702 2 67 94 THR . 26702 2 68 95 THR . 26702 2 69 96 GLY . 26702 2 70 97 PRO . 26702 2 71 98 CYS . 26702 2 72 99 THR . 26702 2 73 100 PRO . 26702 2 74 101 SER . 26702 2 75 102 PRO . 26702 2 76 103 ALA . 26702 2 77 104 PRO . 26702 2 78 105 ASN . 26702 2 79 106 TYR . 26702 2 80 107 SER . 26702 2 81 108 ARG . 26702 2 82 109 ALA . 26702 2 83 110 LEU . 26702 2 84 111 TRP . 26702 2 85 112 ARG . 26702 2 86 113 VAL . 26702 2 87 114 ALA . 26702 2 88 115 ALA . 26702 2 89 116 GLU . 26702 2 90 117 GLU . 26702 2 91 118 TYR . 26702 2 92 119 VAL . 26702 2 93 120 GLU . 26702 2 94 121 VAL . 26702 2 95 122 THR . 26702 2 96 123 ARG . 26702 2 97 124 VAL . 26702 2 98 125 GLY . 26702 2 99 126 ASP . 26702 2 100 127 PHE . 26702 2 101 128 HIS . 26702 2 102 129 TYR . 26702 2 103 130 VAL . 26702 2 104 131 THR . 26702 2 105 132 GLY . 26702 2 106 133 MET . 26702 2 107 134 THR . 26702 2 108 135 THR . 26702 2 109 136 ASP . 26702 2 110 137 ASN . 26702 2 111 138 VAL . 26702 2 112 139 LYS . 26702 2 113 140 CYS . 26702 2 114 141 PRO . 26702 2 115 142 CYS . 26702 2 116 143 GLN . 26702 2 117 144 VAL . 26702 2 118 145 PRO . 26702 2 119 146 ALA . 26702 2 120 147 PRO . 26702 2 121 148 GLU . 26702 2 122 149 PHE . 26702 2 123 150 PHE . 26702 2 124 151 THR . 26702 2 125 152 GLU . 26702 2 126 153 VAL . 26702 2 127 154 ASP . 26702 2 128 155 GLY . 26702 2 129 156 VAL . 26702 2 130 157 ARG . 26702 2 131 158 LEU . 26702 2 132 159 HIS . 26702 2 133 160 ARG . 26702 2 134 161 TYR . 26702 2 135 162 ALA . 26702 2 136 163 PRO . 26702 2 137 164 ALA . 26702 2 138 165 CYS . 26702 2 139 166 LYS . 26702 2 140 167 PRO . 26702 2 141 168 LEU . 26702 2 142 169 LEU . 26702 2 143 170 ARG . 26702 2 144 171 GLU . 26702 2 145 172 GLU . 26702 2 146 173 VAL . 26702 2 147 174 THR . 26702 2 148 175 PHE . 26702 2 149 176 LEU . 26702 2 150 177 VAL . 26702 2 151 178 GLY . 26702 2 152 179 LEU . 26702 2 153 180 ASN . 26702 2 154 181 GLN . 26702 2 155 182 TYR . 26702 2 156 183 LEU . 26702 2 157 184 VAL . 26702 2 158 185 GLY . 26702 2 159 186 SER . 26702 2 160 187 GLN . 26702 2 161 188 LEU . 26702 2 162 189 PRO . 26702 2 163 190 CYS . 26702 2 164 191 GLU . 26702 2 165 192 PRO . 26702 2 166 193 GLU . 26702 2 167 194 PRO . 26702 2 168 195 ASP . 26702 2 169 196 VAL . 26702 2 170 197 ALA . 26702 2 171 198 VAL . 26702 2 172 199 LEU . 26702 2 173 200 THR . 26702 2 174 201 SER . 26702 2 175 202 MET . 26702 2 176 203 LEU . 26702 2 177 204 THR . 26702 2 178 205 ASP . 26702 2 179 206 PRO . 26702 2 180 207 SER . 26702 2 181 208 HIS . 26702 2 182 209 ILE . 26702 2 183 210 THR . 26702 2 184 211 ALA . 26702 2 185 212 GLU . 26702 2 186 213 THR . 26702 2 187 214 ALA . 26702 2 188 215 LYS . 26702 2 189 216 ARG . 26702 2 190 217 ARG . 26702 2 191 218 LEU . 26702 2 192 219 ALA . 26702 2 193 220 ARG . 26702 2 194 221 GLY . 26702 2 195 222 SER . 26702 2 196 223 PRO . 26702 2 197 224 PRO . 26702 2 198 225 SER . 26702 2 199 226 LEU . 26702 2 200 227 ALA . 26702 2 201 228 SER . 26702 2 202 229 SER . 26702 2 203 230 SER . 26702 2 204 231 ALA . 26702 2 205 232 SER . 26702 2 206 233 GLN . 26702 2 207 234 LEU . 26702 2 208 235 SER . 26702 2 209 236 ALA . 26702 2 210 237 PRO . 26702 2 211 238 SER . 26702 2 212 239 LEU . 26702 2 213 240 LYS . 26702 2 214 241 ALA . 26702 2 215 242 THR . 26702 2 216 243 CYS . 26702 2 217 244 THR . 26702 2 218 245 THR . 26702 2 219 246 ARG . 26702 2 220 247 HIS . 26702 2 221 248 ASP . 26702 2 222 249 SER . 26702 2 223 250 PRO . 26702 2 224 251 ASP . 26702 2 225 252 ALA . 26702 2 226 253 ASP . 26702 2 227 254 LEU . 26702 2 228 255 ILE . 26702 2 229 256 GLU . 26702 2 230 257 ALA . 26702 2 231 258 ASN . 26702 2 232 259 LEU . 26702 2 233 260 LEU . 26702 2 234 261 TRP . 26702 2 235 262 ARG . 26702 2 236 263 GLN . 26702 2 237 264 GLU . 26702 2 238 265 MET . 26702 2 239 266 GLY . 26702 2 240 267 GLY . 26702 2 241 268 ASN . 26702 2 242 269 ILE . 26702 2 243 270 THR . 26702 2 244 271 ARG . 26702 2 245 272 VAL . 26702 2 246 273 GLU . 26702 2 247 274 SER . 26702 2 248 275 GLU . 26702 2 249 276 ASN . 26702 2 250 277 LYS . 26702 2 251 278 VAL . 26702 2 252 279 VAL . 26702 2 253 280 ILE . 26702 2 254 281 LEU . 26702 2 255 282 ASP . 26702 2 256 283 SER . 26702 2 257 284 PHE . 26702 2 258 285 GLU . 26702 2 259 286 PRO . 26702 2 260 287 LEU . 26702 2 261 288 GLN . 26702 2 262 289 ALA . 26702 2 263 290 GLU . 26702 2 264 291 GLU . 26702 2 265 292 ASP . 26702 2 266 293 GLU . 26702 2 267 294 ARG . 26702 2 268 295 GLU . 26702 2 269 296 VAL . 26702 2 270 297 SER . 26702 2 271 298 VAL . 26702 2 272 299 PRO . 26702 2 273 300 ALA . 26702 2 274 301 GLU . 26702 2 275 302 ILE . 26702 2 276 303 LEU . 26702 2 277 304 ARG . 26702 2 278 305 ARG . 26702 2 279 306 SER . 26702 2 280 307 ARG . 26702 2 281 308 LYS . 26702 2 282 309 PHE . 26702 2 283 310 PRO . 26702 2 284 311 ARG . 26702 2 285 312 ALA . 26702 2 286 313 MET . 26702 2 287 314 PRO . 26702 2 288 315 ILE . 26702 2 289 316 TRP . 26702 2 290 317 ALA . 26702 2 291 318 ARG . 26702 2 292 319 PRO . 26702 2 293 320 ASP . 26702 2 294 321 TYR . 26702 2 295 322 ASN . 26702 2 296 323 PRO . 26702 2 297 324 PRO . 26702 2 298 325 LEU . 26702 2 299 326 LEU . 26702 2 300 327 GLU . 26702 2 301 328 SER . 26702 2 302 329 TRP . 26702 2 303 330 LYS . 26702 2 304 331 ASP . 26702 2 305 332 PRO . 26702 2 306 333 ASP . 26702 2 307 334 TYR . 26702 2 308 335 VAL . 26702 2 309 336 PRO . 26702 2 310 337 PRO . 26702 2 311 338 VAL . 26702 2 312 339 VAL . 26702 2 313 340 HIS . 26702 2 314 341 GLY . 26702 2 315 342 CYS . 26702 2 316 343 PRO . 26702 2 317 344 LEU . 26702 2 318 345 PRO . 26702 2 319 346 PRO . 26702 2 320 347 ALA . 26702 2 321 348 LYS . 26702 2 322 349 ALA . 26702 2 323 350 PRO . 26702 2 324 351 PRO . 26702 2 325 352 ILE . 26702 2 326 353 PRO . 26702 2 327 354 PRO . 26702 2 328 355 PRO . 26702 2 329 356 ARG . 26702 2 330 357 ARG . 26702 2 331 358 LYS . 26702 2 332 359 ARG . 26702 2 333 360 THR . 26702 2 334 361 VAL . 26702 2 335 362 VAL . 26702 2 336 363 LEU . 26702 2 337 364 SER . 26702 2 338 365 GLU . 26702 2 339 366 SER . 26702 2 340 367 THR . 26702 2 341 368 VAL . 26702 2 342 369 SER . 26702 2 343 370 SER . 26702 2 344 371 ALA . 26702 2 345 372 LEU . 26702 2 346 373 ALA . 26702 2 347 374 GLU . 26702 2 348 375 LEU . 26702 2 349 376 ALA . 26702 2 350 377 THR . 26702 2 351 378 LYS . 26702 2 352 379 THR . 26702 2 353 380 PHE . 26702 2 354 381 GLY . 26702 2 355 382 SER . 26702 2 356 383 SER . 26702 2 357 384 GLU . 26702 2 358 385 SER . 26702 2 359 386 SER . 26702 2 360 387 ALA . 26702 2 361 388 VAL . 26702 2 362 389 ASP . 26702 2 363 390 SER . 26702 2 364 391 GLY . 26702 2 365 392 THR . 26702 2 366 393 ALA . 26702 2 367 394 THR . 26702 2 368 395 ALA . 26702 2 369 396 SER . 26702 2 370 397 PRO . 26702 2 371 398 ASP . 26702 2 372 399 GLN . 26702 2 373 400 PRO . 26702 2 374 401 SEP . 26702 2 375 402 ASP . 26702 2 376 403 ASP . 26702 2 377 404 GLY . 26702 2 378 405 ASP . 26702 2 379 406 ALA . 26702 2 380 407 GLY . 26702 2 381 408 SEP . 26702 2 382 409 ASP . 26702 2 383 410 VAL . 26702 2 384 411 GLU . 26702 2 385 412 SER . 26702 2 386 413 TYR . 26702 2 387 414 SER . 26702 2 388 415 SER . 26702 2 389 416 MET . 26702 2 390 417 PRO . 26702 2 391 418 PRO . 26702 2 392 419 LEU . 26702 2 393 420 GLU . 26702 2 394 421 GLY . 26702 2 395 422 GLU . 26702 2 396 423 PRO . 26702 2 397 424 GLY . 26702 2 398 425 ASP . 26702 2 399 426 PRO . 26702 2 400 427 ASP . 26702 2 401 428 LEU . 26702 2 402 429 SEP . 26702 2 403 430 ASP . 26702 2 404 431 GLY . 26702 2 405 432 SEP . 26702 2 406 433 TRP . 26702 2 407 434 SEP . 26702 2 408 435 TPO . 26702 2 409 436 VAL . 26702 2 410 437 SEP . 26702 2 411 438 GLU . 26702 2 412 439 GLU . 26702 2 413 440 ALA . 26702 2 414 441 SER . 26702 2 415 442 GLU . 26702 2 416 443 ASP . 26702 2 417 444 VAL . 26702 2 418 445 VAL . 26702 2 419 446 CYS . 26702 2 420 447 CYS . 26702 2 421 448 SER . 26702 2 422 449 ALA . 26702 2 423 450 TRP . 26702 2 424 451 SER . 26702 2 425 452 HIS . 26702 2 426 453 PRO . 26702 2 427 454 GLN . 26702 2 428 455 PHE . 26702 2 429 456 GLU . 26702 2 430 457 LYS . 26702 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26702 2 . ALA 2 2 26702 2 . ARG 3 3 26702 2 . LEU 4 4 26702 2 . PRO 5 5 26702 2 . GLY 6 6 26702 2 . VAL 7 7 26702 2 . PRO 8 8 26702 2 . PHE 9 9 26702 2 . PHE 10 10 26702 2 . SER 11 11 26702 2 . CYS 12 12 26702 2 . GLN 13 13 26702 2 . ARG 14 14 26702 2 . GLY 15 15 26702 2 . TYR 16 16 26702 2 . LYS 17 17 26702 2 . GLY 18 18 26702 2 . VAL 19 19 26702 2 . TRP 20 20 26702 2 . ARG 21 21 26702 2 . GLY 22 22 26702 2 . ASP 23 23 26702 2 . GLY 24 24 26702 2 . ILE 25 25 26702 2 . MET 26 26 26702 2 . GLN 27 27 26702 2 . THR 28 28 26702 2 . THR 29 29 26702 2 . CYS 30 30 26702 2 . PRO 31 31 26702 2 . CYS 32 32 26702 2 . GLY 33 33 26702 2 . ALA 34 34 26702 2 . GLN 35 35 26702 2 . ILE 36 36 26702 2 . THR 37 37 26702 2 . GLY 38 38 26702 2 . HIS 39 39 26702 2 . VAL 40 40 26702 2 . LYS 41 41 26702 2 . ASN 42 42 26702 2 . GLY 43 43 26702 2 . SER 44 44 26702 2 . MET 45 45 26702 2 . ARG 46 46 26702 2 . ILE 47 47 26702 2 . VAL 48 48 26702 2 . GLY 49 49 26702 2 . PRO 50 50 26702 2 . ARG 51 51 26702 2 . THR 52 52 26702 2 . CYS 53 53 26702 2 . SER 54 54 26702 2 . ASN 55 55 26702 2 . THR 56 56 26702 2 . TRP 57 57 26702 2 . HIS 58 58 26702 2 . GLY 59 59 26702 2 . THR 60 60 26702 2 . PHE 61 61 26702 2 . PRO 62 62 26702 2 . ILE 63 63 26702 2 . ASN 64 64 26702 2 . ALA 65 65 26702 2 . TYR 66 66 26702 2 . THR 67 67 26702 2 . THR 68 68 26702 2 . GLY 69 69 26702 2 . PRO 70 70 26702 2 . CYS 71 71 26702 2 . THR 72 72 26702 2 . PRO 73 73 26702 2 . SER 74 74 26702 2 . PRO 75 75 26702 2 . ALA 76 76 26702 2 . PRO 77 77 26702 2 . ASN 78 78 26702 2 . TYR 79 79 26702 2 . SER 80 80 26702 2 . ARG 81 81 26702 2 . ALA 82 82 26702 2 . LEU 83 83 26702 2 . TRP 84 84 26702 2 . ARG 85 85 26702 2 . VAL 86 86 26702 2 . ALA 87 87 26702 2 . ALA 88 88 26702 2 . GLU 89 89 26702 2 . GLU 90 90 26702 2 . TYR 91 91 26702 2 . VAL 92 92 26702 2 . GLU 93 93 26702 2 . VAL 94 94 26702 2 . THR 95 95 26702 2 . ARG 96 96 26702 2 . VAL 97 97 26702 2 . GLY 98 98 26702 2 . ASP 99 99 26702 2 . PHE 100 100 26702 2 . HIS 101 101 26702 2 . TYR 102 102 26702 2 . VAL 103 103 26702 2 . THR 104 104 26702 2 . GLY 105 105 26702 2 . MET 106 106 26702 2 . THR 107 107 26702 2 . THR 108 108 26702 2 . ASP 109 109 26702 2 . ASN 110 110 26702 2 . VAL 111 111 26702 2 . LYS 112 112 26702 2 . CYS 113 113 26702 2 . PRO 114 114 26702 2 . CYS 115 115 26702 2 . GLN 116 116 26702 2 . VAL 117 117 26702 2 . PRO 118 118 26702 2 . ALA 119 119 26702 2 . PRO 120 120 26702 2 . GLU 121 121 26702 2 . PHE 122 122 26702 2 . PHE 123 123 26702 2 . THR 124 124 26702 2 . GLU 125 125 26702 2 . VAL 126 126 26702 2 . ASP 127 127 26702 2 . GLY 128 128 26702 2 . VAL 129 129 26702 2 . ARG 130 130 26702 2 . LEU 131 131 26702 2 . HIS 132 132 26702 2 . ARG 133 133 26702 2 . TYR 134 134 26702 2 . ALA 135 135 26702 2 . PRO 136 136 26702 2 . ALA 137 137 26702 2 . CYS 138 138 26702 2 . LYS 139 139 26702 2 . PRO 140 140 26702 2 . LEU 141 141 26702 2 . LEU 142 142 26702 2 . ARG 143 143 26702 2 . GLU 144 144 26702 2 . GLU 145 145 26702 2 . VAL 146 146 26702 2 . THR 147 147 26702 2 . PHE 148 148 26702 2 . LEU 149 149 26702 2 . VAL 150 150 26702 2 . GLY 151 151 26702 2 . LEU 152 152 26702 2 . ASN 153 153 26702 2 . GLN 154 154 26702 2 . TYR 155 155 26702 2 . LEU 156 156 26702 2 . VAL 157 157 26702 2 . GLY 158 158 26702 2 . SER 159 159 26702 2 . GLN 160 160 26702 2 . LEU 161 161 26702 2 . PRO 162 162 26702 2 . CYS 163 163 26702 2 . GLU 164 164 26702 2 . PRO 165 165 26702 2 . GLU 166 166 26702 2 . PRO 167 167 26702 2 . ASP 168 168 26702 2 . VAL 169 169 26702 2 . ALA 170 170 26702 2 . VAL 171 171 26702 2 . LEU 172 172 26702 2 . THR 173 173 26702 2 . SER 174 174 26702 2 . MET 175 175 26702 2 . LEU 176 176 26702 2 . THR 177 177 26702 2 . ASP 178 178 26702 2 . PRO 179 179 26702 2 . SER 180 180 26702 2 . HIS 181 181 26702 2 . ILE 182 182 26702 2 . THR 183 183 26702 2 . ALA 184 184 26702 2 . GLU 185 185 26702 2 . THR 186 186 26702 2 . ALA 187 187 26702 2 . LYS 188 188 26702 2 . ARG 189 189 26702 2 . ARG 190 190 26702 2 . LEU 191 191 26702 2 . ALA 192 192 26702 2 . ARG 193 193 26702 2 . GLY 194 194 26702 2 . SER 195 195 26702 2 . PRO 196 196 26702 2 . PRO 197 197 26702 2 . SER 198 198 26702 2 . LEU 199 199 26702 2 . ALA 200 200 26702 2 . SER 201 201 26702 2 . SER 202 202 26702 2 . SER 203 203 26702 2 . ALA 204 204 26702 2 . SER 205 205 26702 2 . GLN 206 206 26702 2 . LEU 207 207 26702 2 . SER 208 208 26702 2 . ALA 209 209 26702 2 . PRO 210 210 26702 2 . SER 211 211 26702 2 . LEU 212 212 26702 2 . LYS 213 213 26702 2 . ALA 214 214 26702 2 . THR 215 215 26702 2 . CYS 216 216 26702 2 . THR 217 217 26702 2 . THR 218 218 26702 2 . ARG 219 219 26702 2 . HIS 220 220 26702 2 . ASP 221 221 26702 2 . SER 222 222 26702 2 . PRO 223 223 26702 2 . ASP 224 224 26702 2 . ALA 225 225 26702 2 . ASP 226 226 26702 2 . LEU 227 227 26702 2 . ILE 228 228 26702 2 . GLU 229 229 26702 2 . ALA 230 230 26702 2 . ASN 231 231 26702 2 . LEU 232 232 26702 2 . LEU 233 233 26702 2 . TRP 234 234 26702 2 . ARG 235 235 26702 2 . GLN 236 236 26702 2 . GLU 237 237 26702 2 . MET 238 238 26702 2 . GLY 239 239 26702 2 . GLY 240 240 26702 2 . ASN 241 241 26702 2 . ILE 242 242 26702 2 . THR 243 243 26702 2 . ARG 244 244 26702 2 . VAL 245 245 26702 2 . GLU 246 246 26702 2 . SER 247 247 26702 2 . GLU 248 248 26702 2 . ASN 249 249 26702 2 . LYS 250 250 26702 2 . VAL 251 251 26702 2 . VAL 252 252 26702 2 . ILE 253 253 26702 2 . LEU 254 254 26702 2 . ASP 255 255 26702 2 . SER 256 256 26702 2 . PHE 257 257 26702 2 . GLU 258 258 26702 2 . PRO 259 259 26702 2 . LEU 260 260 26702 2 . GLN 261 261 26702 2 . ALA 262 262 26702 2 . GLU 263 263 26702 2 . GLU 264 264 26702 2 . ASP 265 265 26702 2 . GLU 266 266 26702 2 . ARG 267 267 26702 2 . GLU 268 268 26702 2 . VAL 269 269 26702 2 . SER 270 270 26702 2 . VAL 271 271 26702 2 . PRO 272 272 26702 2 . ALA 273 273 26702 2 . GLU 274 274 26702 2 . ILE 275 275 26702 2 . LEU 276 276 26702 2 . ARG 277 277 26702 2 . ARG 278 278 26702 2 . SER 279 279 26702 2 . ARG 280 280 26702 2 . LYS 281 281 26702 2 . PHE 282 282 26702 2 . PRO 283 283 26702 2 . ARG 284 284 26702 2 . ALA 285 285 26702 2 . MET 286 286 26702 2 . PRO 287 287 26702 2 . ILE 288 288 26702 2 . TRP 289 289 26702 2 . ALA 290 290 26702 2 . ARG 291 291 26702 2 . PRO 292 292 26702 2 . ASP 293 293 26702 2 . TYR 294 294 26702 2 . ASN 295 295 26702 2 . PRO 296 296 26702 2 . PRO 297 297 26702 2 . LEU 298 298 26702 2 . LEU 299 299 26702 2 . GLU 300 300 26702 2 . SER 301 301 26702 2 . TRP 302 302 26702 2 . LYS 303 303 26702 2 . ASP 304 304 26702 2 . PRO 305 305 26702 2 . ASP 306 306 26702 2 . TYR 307 307 26702 2 . VAL 308 308 26702 2 . PRO 309 309 26702 2 . PRO 310 310 26702 2 . VAL 311 311 26702 2 . VAL 312 312 26702 2 . HIS 313 313 26702 2 . GLY 314 314 26702 2 . CYS 315 315 26702 2 . PRO 316 316 26702 2 . LEU 317 317 26702 2 . PRO 318 318 26702 2 . PRO 319 319 26702 2 . ALA 320 320 26702 2 . LYS 321 321 26702 2 . ALA 322 322 26702 2 . PRO 323 323 26702 2 . PRO 324 324 26702 2 . ILE 325 325 26702 2 . PRO 326 326 26702 2 . PRO 327 327 26702 2 . PRO 328 328 26702 2 . ARG 329 329 26702 2 . ARG 330 330 26702 2 . LYS 331 331 26702 2 . ARG 332 332 26702 2 . THR 333 333 26702 2 . VAL 334 334 26702 2 . VAL 335 335 26702 2 . LEU 336 336 26702 2 . SER 337 337 26702 2 . GLU 338 338 26702 2 . SER 339 339 26702 2 . THR 340 340 26702 2 . VAL 341 341 26702 2 . SER 342 342 26702 2 . SER 343 343 26702 2 . ALA 344 344 26702 2 . LEU 345 345 26702 2 . ALA 346 346 26702 2 . GLU 347 347 26702 2 . LEU 348 348 26702 2 . ALA 349 349 26702 2 . THR 350 350 26702 2 . LYS 351 351 26702 2 . THR 352 352 26702 2 . PHE 353 353 26702 2 . GLY 354 354 26702 2 . SER 355 355 26702 2 . SER 356 356 26702 2 . GLU 357 357 26702 2 . SER 358 358 26702 2 . SER 359 359 26702 2 . ALA 360 360 26702 2 . VAL 361 361 26702 2 . ASP 362 362 26702 2 . SER 363 363 26702 2 . GLY 364 364 26702 2 . THR 365 365 26702 2 . ALA 366 366 26702 2 . THR 367 367 26702 2 . ALA 368 368 26702 2 . SER 369 369 26702 2 . PRO 370 370 26702 2 . ASP 371 371 26702 2 . GLN 372 372 26702 2 . PRO 373 373 26702 2 . SEP 374 374 26702 2 . ASP 375 375 26702 2 . ASP 376 376 26702 2 . GLY 377 377 26702 2 . ASP 378 378 26702 2 . ALA 379 379 26702 2 . GLY 380 380 26702 2 . SEP 381 381 26702 2 . ASP 382 382 26702 2 . VAL 383 383 26702 2 . GLU 384 384 26702 2 . SER 385 385 26702 2 . TYR 386 386 26702 2 . SER 387 387 26702 2 . SER 388 388 26702 2 . MET 389 389 26702 2 . PRO 390 390 26702 2 . PRO 391 391 26702 2 . LEU 392 392 26702 2 . GLU 393 393 26702 2 . GLY 394 394 26702 2 . GLU 395 395 26702 2 . PRO 396 396 26702 2 . GLY 397 397 26702 2 . ASP 398 398 26702 2 . PRO 399 399 26702 2 . ASP 400 400 26702 2 . LEU 401 401 26702 2 . SEP 402 402 26702 2 . ASP 403 403 26702 2 . GLY 404 404 26702 2 . SEP 405 405 26702 2 . TRP 406 406 26702 2 . SEP 407 407 26702 2 . TPO 408 408 26702 2 . VAL 409 409 26702 2 . SEP 410 410 26702 2 . GLU 411 411 26702 2 . GLU 412 412 26702 2 . ALA 413 413 26702 2 . SER 414 414 26702 2 . GLU 415 415 26702 2 . ASP 416 416 26702 2 . VAL 417 417 26702 2 . VAL 418 418 26702 2 . CYS 419 419 26702 2 . CYS 420 420 26702 2 . SER 421 421 26702 2 . ALA 422 422 26702 2 . TRP 423 423 26702 2 . SER 424 424 26702 2 . HIS 425 425 26702 2 . PRO 426 426 26702 2 . GLN 427 427 26702 2 . PHE 428 428 26702 2 . GLU 429 429 26702 2 . LYS 430 430 26702 2 stop_ save_ save_NS5A-D1D2D3_2 _Entity.Sf_category entity _Entity.Sf_framecode NS5A-D1D2D3_2 _Entity.Entry_ID 26702 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name NS5A-D1D2D3 _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 ; MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPSDDGDAG XDVEXYSXMPPLEGEPGDPD LSDGSWSTVSEEASEDVVCC SAWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 430 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'HCV RNA replication and viral particles production.' 26702 3 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 28 MET . 26702 3 2 29 ALA . 26702 3 3 30 ARG . 26702 3 4 31 LEU . 26702 3 5 32 PRO . 26702 3 6 33 GLY . 26702 3 7 34 VAL . 26702 3 8 35 PRO . 26702 3 9 36 PHE . 26702 3 10 37 PHE . 26702 3 11 38 SER . 26702 3 12 39 CYS . 26702 3 13 40 GLN . 26702 3 14 41 ARG . 26702 3 15 42 GLY . 26702 3 16 43 TYR . 26702 3 17 44 LYS . 26702 3 18 45 GLY . 26702 3 19 46 VAL . 26702 3 20 47 TRP . 26702 3 21 48 ARG . 26702 3 22 49 GLY . 26702 3 23 50 ASP . 26702 3 24 51 GLY . 26702 3 25 52 ILE . 26702 3 26 53 MET . 26702 3 27 54 GLN . 26702 3 28 55 THR . 26702 3 29 56 THR . 26702 3 30 57 CYS . 26702 3 31 58 PRO . 26702 3 32 59 CYS . 26702 3 33 60 GLY . 26702 3 34 61 ALA . 26702 3 35 62 GLN . 26702 3 36 63 ILE . 26702 3 37 64 THR . 26702 3 38 65 GLY . 26702 3 39 66 HIS . 26702 3 40 67 VAL . 26702 3 41 68 LYS . 26702 3 42 69 ASN . 26702 3 43 70 GLY . 26702 3 44 71 SER . 26702 3 45 72 MET . 26702 3 46 73 ARG . 26702 3 47 74 ILE . 26702 3 48 75 VAL . 26702 3 49 76 GLY . 26702 3 50 77 PRO . 26702 3 51 78 ARG . 26702 3 52 79 THR . 26702 3 53 80 CYS . 26702 3 54 81 SER . 26702 3 55 82 ASN . 26702 3 56 83 THR . 26702 3 57 84 TRP . 26702 3 58 85 HIS . 26702 3 59 86 GLY . 26702 3 60 87 THR . 26702 3 61 88 PHE . 26702 3 62 89 PRO . 26702 3 63 90 ILE . 26702 3 64 91 ASN . 26702 3 65 92 ALA . 26702 3 66 93 TYR . 26702 3 67 94 THR . 26702 3 68 95 THR . 26702 3 69 96 GLY . 26702 3 70 97 PRO . 26702 3 71 98 CYS . 26702 3 72 99 THR . 26702 3 73 100 PRO . 26702 3 74 101 SER . 26702 3 75 102 PRO . 26702 3 76 103 ALA . 26702 3 77 104 PRO . 26702 3 78 105 ASN . 26702 3 79 106 TYR . 26702 3 80 107 SER . 26702 3 81 108 ARG . 26702 3 82 109 ALA . 26702 3 83 110 LEU . 26702 3 84 111 TRP . 26702 3 85 112 ARG . 26702 3 86 113 VAL . 26702 3 87 114 ALA . 26702 3 88 115 ALA . 26702 3 89 116 GLU . 26702 3 90 117 GLU . 26702 3 91 118 TYR . 26702 3 92 119 VAL . 26702 3 93 120 GLU . 26702 3 94 121 VAL . 26702 3 95 122 THR . 26702 3 96 123 ARG . 26702 3 97 124 VAL . 26702 3 98 125 GLY . 26702 3 99 126 ASP . 26702 3 100 127 PHE . 26702 3 101 128 HIS . 26702 3 102 129 TYR . 26702 3 103 130 VAL . 26702 3 104 131 THR . 26702 3 105 132 GLY . 26702 3 106 133 MET . 26702 3 107 134 THR . 26702 3 108 135 THR . 26702 3 109 136 ASP . 26702 3 110 137 ASN . 26702 3 111 138 VAL . 26702 3 112 139 LYS . 26702 3 113 140 CYS . 26702 3 114 141 PRO . 26702 3 115 142 CYS . 26702 3 116 143 GLN . 26702 3 117 144 VAL . 26702 3 118 145 PRO . 26702 3 119 146 ALA . 26702 3 120 147 PRO . 26702 3 121 148 GLU . 26702 3 122 149 PHE . 26702 3 123 150 PHE . 26702 3 124 151 THR . 26702 3 125 152 GLU . 26702 3 126 153 VAL . 26702 3 127 154 ASP . 26702 3 128 155 GLY . 26702 3 129 156 VAL . 26702 3 130 157 ARG . 26702 3 131 158 LEU . 26702 3 132 159 HIS . 26702 3 133 160 ARG . 26702 3 134 161 TYR . 26702 3 135 162 ALA . 26702 3 136 163 PRO . 26702 3 137 164 ALA . 26702 3 138 165 CYS . 26702 3 139 166 LYS . 26702 3 140 167 PRO . 26702 3 141 168 LEU . 26702 3 142 169 LEU . 26702 3 143 170 ARG . 26702 3 144 171 GLU . 26702 3 145 172 GLU . 26702 3 146 173 VAL . 26702 3 147 174 THR . 26702 3 148 175 PHE . 26702 3 149 176 LEU . 26702 3 150 177 VAL . 26702 3 151 178 GLY . 26702 3 152 179 LEU . 26702 3 153 180 ASN . 26702 3 154 181 GLN . 26702 3 155 182 TYR . 26702 3 156 183 LEU . 26702 3 157 184 VAL . 26702 3 158 185 GLY . 26702 3 159 186 SER . 26702 3 160 187 GLN . 26702 3 161 188 LEU . 26702 3 162 189 PRO . 26702 3 163 190 CYS . 26702 3 164 191 GLU . 26702 3 165 192 PRO . 26702 3 166 193 GLU . 26702 3 167 194 PRO . 26702 3 168 195 ASP . 26702 3 169 196 VAL . 26702 3 170 197 ALA . 26702 3 171 198 VAL . 26702 3 172 199 LEU . 26702 3 173 200 THR . 26702 3 174 201 SER . 26702 3 175 202 MET . 26702 3 176 203 LEU . 26702 3 177 204 THR . 26702 3 178 205 ASP . 26702 3 179 206 PRO . 26702 3 180 207 SER . 26702 3 181 208 HIS . 26702 3 182 209 ILE . 26702 3 183 210 THR . 26702 3 184 211 ALA . 26702 3 185 212 GLU . 26702 3 186 213 THR . 26702 3 187 214 ALA . 26702 3 188 215 LYS . 26702 3 189 216 ARG . 26702 3 190 217 ARG . 26702 3 191 218 LEU . 26702 3 192 219 ALA . 26702 3 193 220 ARG . 26702 3 194 221 GLY . 26702 3 195 222 SER . 26702 3 196 223 PRO . 26702 3 197 224 PRO . 26702 3 198 225 SER . 26702 3 199 226 LEU . 26702 3 200 227 ALA . 26702 3 201 228 SER . 26702 3 202 229 SER . 26702 3 203 230 SER . 26702 3 204 231 ALA . 26702 3 205 232 SER . 26702 3 206 233 GLN . 26702 3 207 234 LEU . 26702 3 208 235 SER . 26702 3 209 236 ALA . 26702 3 210 237 PRO . 26702 3 211 238 SER . 26702 3 212 239 LEU . 26702 3 213 240 LYS . 26702 3 214 241 ALA . 26702 3 215 242 THR . 26702 3 216 243 CYS . 26702 3 217 244 THR . 26702 3 218 245 THR . 26702 3 219 246 ARG . 26702 3 220 247 HIS . 26702 3 221 248 ASP . 26702 3 222 249 SER . 26702 3 223 250 PRO . 26702 3 224 251 ASP . 26702 3 225 252 ALA . 26702 3 226 253 ASP . 26702 3 227 254 LEU . 26702 3 228 255 ILE . 26702 3 229 256 GLU . 26702 3 230 257 ALA . 26702 3 231 258 ASN . 26702 3 232 259 LEU . 26702 3 233 260 LEU . 26702 3 234 261 TRP . 26702 3 235 262 ARG . 26702 3 236 263 GLN . 26702 3 237 264 GLU . 26702 3 238 265 MET . 26702 3 239 266 GLY . 26702 3 240 267 GLY . 26702 3 241 268 ASN . 26702 3 242 269 ILE . 26702 3 243 270 THR . 26702 3 244 271 ARG . 26702 3 245 272 VAL . 26702 3 246 273 GLU . 26702 3 247 274 SER . 26702 3 248 275 GLU . 26702 3 249 276 ASN . 26702 3 250 277 LYS . 26702 3 251 278 VAL . 26702 3 252 279 VAL . 26702 3 253 280 ILE . 26702 3 254 281 LEU . 26702 3 255 282 ASP . 26702 3 256 283 SER . 26702 3 257 284 PHE . 26702 3 258 285 GLU . 26702 3 259 286 PRO . 26702 3 260 287 LEU . 26702 3 261 288 GLN . 26702 3 262 289 ALA . 26702 3 263 290 GLU . 26702 3 264 291 GLU . 26702 3 265 292 ASP . 26702 3 266 293 GLU . 26702 3 267 294 ARG . 26702 3 268 295 GLU . 26702 3 269 296 VAL . 26702 3 270 297 SER . 26702 3 271 298 VAL . 26702 3 272 299 PRO . 26702 3 273 300 ALA . 26702 3 274 301 GLU . 26702 3 275 302 ILE . 26702 3 276 303 LEU . 26702 3 277 304 ARG . 26702 3 278 305 ARG . 26702 3 279 306 SER . 26702 3 280 307 ARG . 26702 3 281 308 LYS . 26702 3 282 309 PHE . 26702 3 283 310 PRO . 26702 3 284 311 ARG . 26702 3 285 312 ALA . 26702 3 286 313 MET . 26702 3 287 314 PRO . 26702 3 288 315 ILE . 26702 3 289 316 TRP . 26702 3 290 317 ALA . 26702 3 291 318 ARG . 26702 3 292 319 PRO . 26702 3 293 320 ASP . 26702 3 294 321 TYR . 26702 3 295 322 ASN . 26702 3 296 323 PRO . 26702 3 297 324 PRO . 26702 3 298 325 LEU . 26702 3 299 326 LEU . 26702 3 300 327 GLU . 26702 3 301 328 SER . 26702 3 302 329 TRP . 26702 3 303 330 LYS . 26702 3 304 331 ASP . 26702 3 305 332 PRO . 26702 3 306 333 ASP . 26702 3 307 334 TYR . 26702 3 308 335 VAL . 26702 3 309 336 PRO . 26702 3 310 337 PRO . 26702 3 311 338 VAL . 26702 3 312 339 VAL . 26702 3 313 340 HIS . 26702 3 314 341 GLY . 26702 3 315 342 CYS . 26702 3 316 343 PRO . 26702 3 317 344 LEU . 26702 3 318 345 PRO . 26702 3 319 346 PRO . 26702 3 320 347 ALA . 26702 3 321 348 LYS . 26702 3 322 349 ALA . 26702 3 323 350 PRO . 26702 3 324 351 PRO . 26702 3 325 352 ILE . 26702 3 326 353 PRO . 26702 3 327 354 PRO . 26702 3 328 355 PRO . 26702 3 329 356 ARG . 26702 3 330 357 ARG . 26702 3 331 358 LYS . 26702 3 332 359 ARG . 26702 3 333 360 THR . 26702 3 334 361 VAL . 26702 3 335 362 VAL . 26702 3 336 363 LEU . 26702 3 337 364 SER . 26702 3 338 365 GLU . 26702 3 339 366 SER . 26702 3 340 367 THR . 26702 3 341 368 VAL . 26702 3 342 369 SER . 26702 3 343 370 SER . 26702 3 344 371 ALA . 26702 3 345 372 LEU . 26702 3 346 373 ALA . 26702 3 347 374 GLU . 26702 3 348 375 LEU . 26702 3 349 376 ALA . 26702 3 350 377 THR . 26702 3 351 378 LYS . 26702 3 352 379 THR . 26702 3 353 380 PHE . 26702 3 354 381 GLY . 26702 3 355 382 SER . 26702 3 356 383 SER . 26702 3 357 384 GLU . 26702 3 358 385 SER . 26702 3 359 386 SER . 26702 3 360 387 ALA . 26702 3 361 388 VAL . 26702 3 362 389 ASP . 26702 3 363 390 SER . 26702 3 364 391 GLY . 26702 3 365 392 THR . 26702 3 366 393 ALA . 26702 3 367 394 THR . 26702 3 368 395 ALA . 26702 3 369 396 SER . 26702 3 370 397 PRO . 26702 3 371 398 ASP . 26702 3 372 399 GLN . 26702 3 373 400 PRO . 26702 3 374 401 SER . 26702 3 375 402 ASP . 26702 3 376 403 ASP . 26702 3 377 404 GLY . 26702 3 378 405 ASP . 26702 3 379 406 ALA . 26702 3 380 407 GLY . 26702 3 381 408 SEP . 26702 3 382 409 ASP . 26702 3 383 410 VAL . 26702 3 384 411 GLU . 26702 3 385 412 SEP . 26702 3 386 413 TYR . 26702 3 387 414 SER . 26702 3 388 415 SEP . 26702 3 389 416 MET . 26702 3 390 417 PRO . 26702 3 391 418 PRO . 26702 3 392 419 LEU . 26702 3 393 420 GLU . 26702 3 394 421 GLY . 26702 3 395 422 GLU . 26702 3 396 423 PRO . 26702 3 397 424 GLY . 26702 3 398 425 ASP . 26702 3 399 426 PRO . 26702 3 400 427 ASP . 26702 3 401 428 LEU . 26702 3 402 429 SER . 26702 3 403 430 ASP . 26702 3 404 431 GLY . 26702 3 405 432 SER . 26702 3 406 433 TRP . 26702 3 407 434 SER . 26702 3 408 435 THR . 26702 3 409 436 VAL . 26702 3 410 437 SER . 26702 3 411 438 GLU . 26702 3 412 439 GLU . 26702 3 413 440 ALA . 26702 3 414 441 SER . 26702 3 415 442 GLU . 26702 3 416 443 ASP . 26702 3 417 444 VAL . 26702 3 418 445 VAL . 26702 3 419 446 CYS . 26702 3 420 447 CYS . 26702 3 421 448 SER . 26702 3 422 449 ALA . 26702 3 423 450 TRP . 26702 3 424 451 SER . 26702 3 425 452 HIS . 26702 3 426 453 PRO . 26702 3 427 454 GLN . 26702 3 428 455 PHE . 26702 3 429 456 GLU . 26702 3 430 457 LYS . 26702 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26702 3 . ALA 2 2 26702 3 . ARG 3 3 26702 3 . LEU 4 4 26702 3 . PRO 5 5 26702 3 . GLY 6 6 26702 3 . VAL 7 7 26702 3 . PRO 8 8 26702 3 . PHE 9 9 26702 3 . PHE 10 10 26702 3 . SER 11 11 26702 3 . CYS 12 12 26702 3 . GLN 13 13 26702 3 . ARG 14 14 26702 3 . GLY 15 15 26702 3 . TYR 16 16 26702 3 . LYS 17 17 26702 3 . GLY 18 18 26702 3 . VAL 19 19 26702 3 . TRP 20 20 26702 3 . ARG 21 21 26702 3 . GLY 22 22 26702 3 . ASP 23 23 26702 3 . GLY 24 24 26702 3 . ILE 25 25 26702 3 . MET 26 26 26702 3 . GLN 27 27 26702 3 . THR 28 28 26702 3 . THR 29 29 26702 3 . CYS 30 30 26702 3 . PRO 31 31 26702 3 . CYS 32 32 26702 3 . GLY 33 33 26702 3 . ALA 34 34 26702 3 . GLN 35 35 26702 3 . ILE 36 36 26702 3 . THR 37 37 26702 3 . GLY 38 38 26702 3 . HIS 39 39 26702 3 . VAL 40 40 26702 3 . LYS 41 41 26702 3 . ASN 42 42 26702 3 . GLY 43 43 26702 3 . SER 44 44 26702 3 . MET 45 45 26702 3 . ARG 46 46 26702 3 . ILE 47 47 26702 3 . VAL 48 48 26702 3 . GLY 49 49 26702 3 . PRO 50 50 26702 3 . ARG 51 51 26702 3 . THR 52 52 26702 3 . CYS 53 53 26702 3 . SER 54 54 26702 3 . ASN 55 55 26702 3 . THR 56 56 26702 3 . TRP 57 57 26702 3 . HIS 58 58 26702 3 . GLY 59 59 26702 3 . THR 60 60 26702 3 . PHE 61 61 26702 3 . PRO 62 62 26702 3 . ILE 63 63 26702 3 . ASN 64 64 26702 3 . ALA 65 65 26702 3 . TYR 66 66 26702 3 . THR 67 67 26702 3 . THR 68 68 26702 3 . GLY 69 69 26702 3 . PRO 70 70 26702 3 . CYS 71 71 26702 3 . THR 72 72 26702 3 . PRO 73 73 26702 3 . SER 74 74 26702 3 . PRO 75 75 26702 3 . ALA 76 76 26702 3 . PRO 77 77 26702 3 . ASN 78 78 26702 3 . TYR 79 79 26702 3 . SER 80 80 26702 3 . ARG 81 81 26702 3 . ALA 82 82 26702 3 . LEU 83 83 26702 3 . TRP 84 84 26702 3 . ARG 85 85 26702 3 . VAL 86 86 26702 3 . ALA 87 87 26702 3 . ALA 88 88 26702 3 . GLU 89 89 26702 3 . GLU 90 90 26702 3 . TYR 91 91 26702 3 . VAL 92 92 26702 3 . GLU 93 93 26702 3 . VAL 94 94 26702 3 . THR 95 95 26702 3 . ARG 96 96 26702 3 . VAL 97 97 26702 3 . GLY 98 98 26702 3 . ASP 99 99 26702 3 . PHE 100 100 26702 3 . HIS 101 101 26702 3 . TYR 102 102 26702 3 . VAL 103 103 26702 3 . THR 104 104 26702 3 . GLY 105 105 26702 3 . MET 106 106 26702 3 . THR 107 107 26702 3 . THR 108 108 26702 3 . ASP 109 109 26702 3 . ASN 110 110 26702 3 . VAL 111 111 26702 3 . LYS 112 112 26702 3 . CYS 113 113 26702 3 . PRO 114 114 26702 3 . CYS 115 115 26702 3 . GLN 116 116 26702 3 . VAL 117 117 26702 3 . PRO 118 118 26702 3 . ALA 119 119 26702 3 . PRO 120 120 26702 3 . GLU 121 121 26702 3 . PHE 122 122 26702 3 . PHE 123 123 26702 3 . THR 124 124 26702 3 . GLU 125 125 26702 3 . VAL 126 126 26702 3 . ASP 127 127 26702 3 . GLY 128 128 26702 3 . VAL 129 129 26702 3 . ARG 130 130 26702 3 . LEU 131 131 26702 3 . HIS 132 132 26702 3 . ARG 133 133 26702 3 . TYR 134 134 26702 3 . ALA 135 135 26702 3 . PRO 136 136 26702 3 . ALA 137 137 26702 3 . CYS 138 138 26702 3 . LYS 139 139 26702 3 . PRO 140 140 26702 3 . LEU 141 141 26702 3 . LEU 142 142 26702 3 . ARG 143 143 26702 3 . GLU 144 144 26702 3 . GLU 145 145 26702 3 . VAL 146 146 26702 3 . THR 147 147 26702 3 . PHE 148 148 26702 3 . LEU 149 149 26702 3 . VAL 150 150 26702 3 . GLY 151 151 26702 3 . LEU 152 152 26702 3 . ASN 153 153 26702 3 . GLN 154 154 26702 3 . TYR 155 155 26702 3 . LEU 156 156 26702 3 . VAL 157 157 26702 3 . GLY 158 158 26702 3 . SER 159 159 26702 3 . GLN 160 160 26702 3 . LEU 161 161 26702 3 . PRO 162 162 26702 3 . CYS 163 163 26702 3 . GLU 164 164 26702 3 . PRO 165 165 26702 3 . GLU 166 166 26702 3 . PRO 167 167 26702 3 . ASP 168 168 26702 3 . VAL 169 169 26702 3 . ALA 170 170 26702 3 . VAL 171 171 26702 3 . LEU 172 172 26702 3 . THR 173 173 26702 3 . SER 174 174 26702 3 . MET 175 175 26702 3 . LEU 176 176 26702 3 . THR 177 177 26702 3 . ASP 178 178 26702 3 . PRO 179 179 26702 3 . SER 180 180 26702 3 . HIS 181 181 26702 3 . ILE 182 182 26702 3 . THR 183 183 26702 3 . ALA 184 184 26702 3 . GLU 185 185 26702 3 . THR 186 186 26702 3 . ALA 187 187 26702 3 . LYS 188 188 26702 3 . ARG 189 189 26702 3 . ARG 190 190 26702 3 . LEU 191 191 26702 3 . ALA 192 192 26702 3 . ARG 193 193 26702 3 . GLY 194 194 26702 3 . SER 195 195 26702 3 . PRO 196 196 26702 3 . PRO 197 197 26702 3 . SER 198 198 26702 3 . LEU 199 199 26702 3 . ALA 200 200 26702 3 . SER 201 201 26702 3 . SER 202 202 26702 3 . SER 203 203 26702 3 . ALA 204 204 26702 3 . SER 205 205 26702 3 . GLN 206 206 26702 3 . LEU 207 207 26702 3 . SER 208 208 26702 3 . ALA 209 209 26702 3 . PRO 210 210 26702 3 . SER 211 211 26702 3 . LEU 212 212 26702 3 . LYS 213 213 26702 3 . ALA 214 214 26702 3 . THR 215 215 26702 3 . CYS 216 216 26702 3 . THR 217 217 26702 3 . THR 218 218 26702 3 . ARG 219 219 26702 3 . HIS 220 220 26702 3 . ASP 221 221 26702 3 . SER 222 222 26702 3 . PRO 223 223 26702 3 . ASP 224 224 26702 3 . ALA 225 225 26702 3 . ASP 226 226 26702 3 . LEU 227 227 26702 3 . ILE 228 228 26702 3 . GLU 229 229 26702 3 . ALA 230 230 26702 3 . ASN 231 231 26702 3 . LEU 232 232 26702 3 . LEU 233 233 26702 3 . TRP 234 234 26702 3 . ARG 235 235 26702 3 . GLN 236 236 26702 3 . GLU 237 237 26702 3 . MET 238 238 26702 3 . GLY 239 239 26702 3 . GLY 240 240 26702 3 . ASN 241 241 26702 3 . ILE 242 242 26702 3 . THR 243 243 26702 3 . ARG 244 244 26702 3 . VAL 245 245 26702 3 . GLU 246 246 26702 3 . SER 247 247 26702 3 . GLU 248 248 26702 3 . ASN 249 249 26702 3 . LYS 250 250 26702 3 . VAL 251 251 26702 3 . VAL 252 252 26702 3 . ILE 253 253 26702 3 . LEU 254 254 26702 3 . ASP 255 255 26702 3 . SER 256 256 26702 3 . PHE 257 257 26702 3 . GLU 258 258 26702 3 . PRO 259 259 26702 3 . LEU 260 260 26702 3 . GLN 261 261 26702 3 . ALA 262 262 26702 3 . GLU 263 263 26702 3 . GLU 264 264 26702 3 . ASP 265 265 26702 3 . GLU 266 266 26702 3 . ARG 267 267 26702 3 . GLU 268 268 26702 3 . VAL 269 269 26702 3 . SER 270 270 26702 3 . VAL 271 271 26702 3 . PRO 272 272 26702 3 . ALA 273 273 26702 3 . GLU 274 274 26702 3 . ILE 275 275 26702 3 . LEU 276 276 26702 3 . ARG 277 277 26702 3 . ARG 278 278 26702 3 . SER 279 279 26702 3 . ARG 280 280 26702 3 . LYS 281 281 26702 3 . PHE 282 282 26702 3 . PRO 283 283 26702 3 . ARG 284 284 26702 3 . ALA 285 285 26702 3 . MET 286 286 26702 3 . PRO 287 287 26702 3 . ILE 288 288 26702 3 . TRP 289 289 26702 3 . ALA 290 290 26702 3 . ARG 291 291 26702 3 . PRO 292 292 26702 3 . ASP 293 293 26702 3 . TYR 294 294 26702 3 . ASN 295 295 26702 3 . PRO 296 296 26702 3 . PRO 297 297 26702 3 . LEU 298 298 26702 3 . LEU 299 299 26702 3 . GLU 300 300 26702 3 . SER 301 301 26702 3 . TRP 302 302 26702 3 . LYS 303 303 26702 3 . ASP 304 304 26702 3 . PRO 305 305 26702 3 . ASP 306 306 26702 3 . TYR 307 307 26702 3 . VAL 308 308 26702 3 . PRO 309 309 26702 3 . PRO 310 310 26702 3 . VAL 311 311 26702 3 . VAL 312 312 26702 3 . HIS 313 313 26702 3 . GLY 314 314 26702 3 . CYS 315 315 26702 3 . PRO 316 316 26702 3 . LEU 317 317 26702 3 . PRO 318 318 26702 3 . PRO 319 319 26702 3 . ALA 320 320 26702 3 . LYS 321 321 26702 3 . ALA 322 322 26702 3 . PRO 323 323 26702 3 . PRO 324 324 26702 3 . ILE 325 325 26702 3 . PRO 326 326 26702 3 . PRO 327 327 26702 3 . PRO 328 328 26702 3 . ARG 329 329 26702 3 . ARG 330 330 26702 3 . LYS 331 331 26702 3 . ARG 332 332 26702 3 . THR 333 333 26702 3 . VAL 334 334 26702 3 . VAL 335 335 26702 3 . LEU 336 336 26702 3 . SER 337 337 26702 3 . GLU 338 338 26702 3 . SER 339 339 26702 3 . THR 340 340 26702 3 . VAL 341 341 26702 3 . SER 342 342 26702 3 . SER 343 343 26702 3 . ALA 344 344 26702 3 . LEU 345 345 26702 3 . ALA 346 346 26702 3 . GLU 347 347 26702 3 . LEU 348 348 26702 3 . ALA 349 349 26702 3 . THR 350 350 26702 3 . LYS 351 351 26702 3 . THR 352 352 26702 3 . PHE 353 353 26702 3 . GLY 354 354 26702 3 . SER 355 355 26702 3 . SER 356 356 26702 3 . GLU 357 357 26702 3 . SER 358 358 26702 3 . SER 359 359 26702 3 . ALA 360 360 26702 3 . VAL 361 361 26702 3 . ASP 362 362 26702 3 . SER 363 363 26702 3 . GLY 364 364 26702 3 . THR 365 365 26702 3 . ALA 366 366 26702 3 . THR 367 367 26702 3 . ALA 368 368 26702 3 . SER 369 369 26702 3 . PRO 370 370 26702 3 . ASP 371 371 26702 3 . GLN 372 372 26702 3 . PRO 373 373 26702 3 . SER 374 374 26702 3 . ASP 375 375 26702 3 . ASP 376 376 26702 3 . GLY 377 377 26702 3 . ASP 378 378 26702 3 . ALA 379 379 26702 3 . GLY 380 380 26702 3 . SEP 381 381 26702 3 . ASP 382 382 26702 3 . VAL 383 383 26702 3 . GLU 384 384 26702 3 . SEP 385 385 26702 3 . TYR 386 386 26702 3 . SER 387 387 26702 3 . SEP 388 388 26702 3 . MET 389 389 26702 3 . PRO 390 390 26702 3 . PRO 391 391 26702 3 . LEU 392 392 26702 3 . GLU 393 393 26702 3 . GLY 394 394 26702 3 . GLU 395 395 26702 3 . PRO 396 396 26702 3 . GLY 397 397 26702 3 . ASP 398 398 26702 3 . PRO 399 399 26702 3 . ASP 400 400 26702 3 . LEU 401 401 26702 3 . SER 402 402 26702 3 . ASP 403 403 26702 3 . GLY 404 404 26702 3 . SER 405 405 26702 3 . TRP 406 406 26702 3 . SER 407 407 26702 3 . THR 408 408 26702 3 . VAL 409 409 26702 3 . SER 410 410 26702 3 . GLU 411 411 26702 3 . GLU 412 412 26702 3 . ALA 413 413 26702 3 . SER 414 414 26702 3 . GLU 415 415 26702 3 . ASP 416 416 26702 3 . VAL 417 417 26702 3 . VAL 418 418 26702 3 . CYS 419 419 26702 3 . CYS 420 420 26702 3 . SER 421 421 26702 3 . ALA 422 422 26702 3 . TRP 423 423 26702 3 . SER 424 424 26702 3 . HIS 425 425 26702 3 . PRO 426 426 26702 3 . GLN 427 427 26702 3 . PHE 428 428 26702 3 . GLU 429 429 26702 3 . LYS 430 430 26702 3 stop_ save_ save_NS5A-D1D2D3_3 _Entity.Sf_category entity _Entity.Sf_framecode NS5A-D1D2D3_3 _Entity.Entry_ID 26702 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name NS5A-D1D2D3 _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 ; MARLPGVPFFSCQRGYKGVW RGDGIMQTTCPCGAQITGHV KNGSMRIVGPRTCSNTWHGT FPINAYTTGPCTPSPAPNYS RALWRVAAEEYVEVTRVGDF HYVTGMTTDNVKCPCQVPAP EFFTEVDGVRLHRYAPACKP LLREEVTFLVGLNQYLVGSQ LPCEPEPDVAVLTSMLTDPS HITAETAKRRLARGSPPSLA SSSASQLSAPSLKATCTTRH DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGCPLPPA KAPPIPPPRRKRTVVLSEST VSSALAELATKTFGSSESSA VDSGTATASPDQPSDDGDAG XDVEXYSXMPPLEGEPGDPD LSDGXWXXVXEEASEDVVCC SAWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 3 to 420 correspond to residues 30 to 447 of NS5A protein from HCV Con1 strain. Residues 421-430 represent a non-native affinity tag. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 430 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'HCV RNA replication and viral particles production.' 26702 4 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 28 MET . 26702 4 2 29 ALA . 26702 4 3 30 ARG . 26702 4 4 31 LEU . 26702 4 5 32 PRO . 26702 4 6 33 GLY . 26702 4 7 34 VAL . 26702 4 8 35 PRO . 26702 4 9 36 PHE . 26702 4 10 37 PHE . 26702 4 11 38 SER . 26702 4 12 39 CYS . 26702 4 13 40 GLN . 26702 4 14 41 ARG . 26702 4 15 42 GLY . 26702 4 16 43 TYR . 26702 4 17 44 LYS . 26702 4 18 45 GLY . 26702 4 19 46 VAL . 26702 4 20 47 TRP . 26702 4 21 48 ARG . 26702 4 22 49 GLY . 26702 4 23 50 ASP . 26702 4 24 51 GLY . 26702 4 25 52 ILE . 26702 4 26 53 MET . 26702 4 27 54 GLN . 26702 4 28 55 THR . 26702 4 29 56 THR . 26702 4 30 57 CYS . 26702 4 31 58 PRO . 26702 4 32 59 CYS . 26702 4 33 60 GLY . 26702 4 34 61 ALA . 26702 4 35 62 GLN . 26702 4 36 63 ILE . 26702 4 37 64 THR . 26702 4 38 65 GLY . 26702 4 39 66 HIS . 26702 4 40 67 VAL . 26702 4 41 68 LYS . 26702 4 42 69 ASN . 26702 4 43 70 GLY . 26702 4 44 71 SER . 26702 4 45 72 MET . 26702 4 46 73 ARG . 26702 4 47 74 ILE . 26702 4 48 75 VAL . 26702 4 49 76 GLY . 26702 4 50 77 PRO . 26702 4 51 78 ARG . 26702 4 52 79 THR . 26702 4 53 80 CYS . 26702 4 54 81 SER . 26702 4 55 82 ASN . 26702 4 56 83 THR . 26702 4 57 84 TRP . 26702 4 58 85 HIS . 26702 4 59 86 GLY . 26702 4 60 87 THR . 26702 4 61 88 PHE . 26702 4 62 89 PRO . 26702 4 63 90 ILE . 26702 4 64 91 ASN . 26702 4 65 92 ALA . 26702 4 66 93 TYR . 26702 4 67 94 THR . 26702 4 68 95 THR . 26702 4 69 96 GLY . 26702 4 70 97 PRO . 26702 4 71 98 CYS . 26702 4 72 99 THR . 26702 4 73 100 PRO . 26702 4 74 101 SER . 26702 4 75 102 PRO . 26702 4 76 103 ALA . 26702 4 77 104 PRO . 26702 4 78 105 ASN . 26702 4 79 106 TYR . 26702 4 80 107 SER . 26702 4 81 108 ARG . 26702 4 82 109 ALA . 26702 4 83 110 LEU . 26702 4 84 111 TRP . 26702 4 85 112 ARG . 26702 4 86 113 VAL . 26702 4 87 114 ALA . 26702 4 88 115 ALA . 26702 4 89 116 GLU . 26702 4 90 117 GLU . 26702 4 91 118 TYR . 26702 4 92 119 VAL . 26702 4 93 120 GLU . 26702 4 94 121 VAL . 26702 4 95 122 THR . 26702 4 96 123 ARG . 26702 4 97 124 VAL . 26702 4 98 125 GLY . 26702 4 99 126 ASP . 26702 4 100 127 PHE . 26702 4 101 128 HIS . 26702 4 102 129 TYR . 26702 4 103 130 VAL . 26702 4 104 131 THR . 26702 4 105 132 GLY . 26702 4 106 133 MET . 26702 4 107 134 THR . 26702 4 108 135 THR . 26702 4 109 136 ASP . 26702 4 110 137 ASN . 26702 4 111 138 VAL . 26702 4 112 139 LYS . 26702 4 113 140 CYS . 26702 4 114 141 PRO . 26702 4 115 142 CYS . 26702 4 116 143 GLN . 26702 4 117 144 VAL . 26702 4 118 145 PRO . 26702 4 119 146 ALA . 26702 4 120 147 PRO . 26702 4 121 148 GLU . 26702 4 122 149 PHE . 26702 4 123 150 PHE . 26702 4 124 151 THR . 26702 4 125 152 GLU . 26702 4 126 153 VAL . 26702 4 127 154 ASP . 26702 4 128 155 GLY . 26702 4 129 156 VAL . 26702 4 130 157 ARG . 26702 4 131 158 LEU . 26702 4 132 159 HIS . 26702 4 133 160 ARG . 26702 4 134 161 TYR . 26702 4 135 162 ALA . 26702 4 136 163 PRO . 26702 4 137 164 ALA . 26702 4 138 165 CYS . 26702 4 139 166 LYS . 26702 4 140 167 PRO . 26702 4 141 168 LEU . 26702 4 142 169 LEU . 26702 4 143 170 ARG . 26702 4 144 171 GLU . 26702 4 145 172 GLU . 26702 4 146 173 VAL . 26702 4 147 174 THR . 26702 4 148 175 PHE . 26702 4 149 176 LEU . 26702 4 150 177 VAL . 26702 4 151 178 GLY . 26702 4 152 179 LEU . 26702 4 153 180 ASN . 26702 4 154 181 GLN . 26702 4 155 182 TYR . 26702 4 156 183 LEU . 26702 4 157 184 VAL . 26702 4 158 185 GLY . 26702 4 159 186 SER . 26702 4 160 187 GLN . 26702 4 161 188 LEU . 26702 4 162 189 PRO . 26702 4 163 190 CYS . 26702 4 164 191 GLU . 26702 4 165 192 PRO . 26702 4 166 193 GLU . 26702 4 167 194 PRO . 26702 4 168 195 ASP . 26702 4 169 196 VAL . 26702 4 170 197 ALA . 26702 4 171 198 VAL . 26702 4 172 199 LEU . 26702 4 173 200 THR . 26702 4 174 201 SER . 26702 4 175 202 MET . 26702 4 176 203 LEU . 26702 4 177 204 THR . 26702 4 178 205 ASP . 26702 4 179 206 PRO . 26702 4 180 207 SER . 26702 4 181 208 HIS . 26702 4 182 209 ILE . 26702 4 183 210 THR . 26702 4 184 211 ALA . 26702 4 185 212 GLU . 26702 4 186 213 THR . 26702 4 187 214 ALA . 26702 4 188 215 LYS . 26702 4 189 216 ARG . 26702 4 190 217 ARG . 26702 4 191 218 LEU . 26702 4 192 219 ALA . 26702 4 193 220 ARG . 26702 4 194 221 GLY . 26702 4 195 222 SER . 26702 4 196 223 PRO . 26702 4 197 224 PRO . 26702 4 198 225 SER . 26702 4 199 226 LEU . 26702 4 200 227 ALA . 26702 4 201 228 SER . 26702 4 202 229 SER . 26702 4 203 230 SER . 26702 4 204 231 ALA . 26702 4 205 232 SER . 26702 4 206 233 GLN . 26702 4 207 234 LEU . 26702 4 208 235 SER . 26702 4 209 236 ALA . 26702 4 210 237 PRO . 26702 4 211 238 SER . 26702 4 212 239 LEU . 26702 4 213 240 LYS . 26702 4 214 241 ALA . 26702 4 215 242 THR . 26702 4 216 243 CYS . 26702 4 217 244 THR . 26702 4 218 245 THR . 26702 4 219 246 ARG . 26702 4 220 247 HIS . 26702 4 221 248 ASP . 26702 4 222 249 SER . 26702 4 223 250 PRO . 26702 4 224 251 ASP . 26702 4 225 252 ALA . 26702 4 226 253 ASP . 26702 4 227 254 LEU . 26702 4 228 255 ILE . 26702 4 229 256 GLU . 26702 4 230 257 ALA . 26702 4 231 258 ASN . 26702 4 232 259 LEU . 26702 4 233 260 LEU . 26702 4 234 261 TRP . 26702 4 235 262 ARG . 26702 4 236 263 GLN . 26702 4 237 264 GLU . 26702 4 238 265 MET . 26702 4 239 266 GLY . 26702 4 240 267 GLY . 26702 4 241 268 ASN . 26702 4 242 269 ILE . 26702 4 243 270 THR . 26702 4 244 271 ARG . 26702 4 245 272 VAL . 26702 4 246 273 GLU . 26702 4 247 274 SER . 26702 4 248 275 GLU . 26702 4 249 276 ASN . 26702 4 250 277 LYS . 26702 4 251 278 VAL . 26702 4 252 279 VAL . 26702 4 253 280 ILE . 26702 4 254 281 LEU . 26702 4 255 282 ASP . 26702 4 256 283 SER . 26702 4 257 284 PHE . 26702 4 258 285 GLU . 26702 4 259 286 PRO . 26702 4 260 287 LEU . 26702 4 261 288 GLN . 26702 4 262 289 ALA . 26702 4 263 290 GLU . 26702 4 264 291 GLU . 26702 4 265 292 ASP . 26702 4 266 293 GLU . 26702 4 267 294 ARG . 26702 4 268 295 GLU . 26702 4 269 296 VAL . 26702 4 270 297 SER . 26702 4 271 298 VAL . 26702 4 272 299 PRO . 26702 4 273 300 ALA . 26702 4 274 301 GLU . 26702 4 275 302 ILE . 26702 4 276 303 LEU . 26702 4 277 304 ARG . 26702 4 278 305 ARG . 26702 4 279 306 SER . 26702 4 280 307 ARG . 26702 4 281 308 LYS . 26702 4 282 309 PHE . 26702 4 283 310 PRO . 26702 4 284 311 ARG . 26702 4 285 312 ALA . 26702 4 286 313 MET . 26702 4 287 314 PRO . 26702 4 288 315 ILE . 26702 4 289 316 TRP . 26702 4 290 317 ALA . 26702 4 291 318 ARG . 26702 4 292 319 PRO . 26702 4 293 320 ASP . 26702 4 294 321 TYR . 26702 4 295 322 ASN . 26702 4 296 323 PRO . 26702 4 297 324 PRO . 26702 4 298 325 LEU . 26702 4 299 326 LEU . 26702 4 300 327 GLU . 26702 4 301 328 SER . 26702 4 302 329 TRP . 26702 4 303 330 LYS . 26702 4 304 331 ASP . 26702 4 305 332 PRO . 26702 4 306 333 ASP . 26702 4 307 334 TYR . 26702 4 308 335 VAL . 26702 4 309 336 PRO . 26702 4 310 337 PRO . 26702 4 311 338 VAL . 26702 4 312 339 VAL . 26702 4 313 340 HIS . 26702 4 314 341 GLY . 26702 4 315 342 CYS . 26702 4 316 343 PRO . 26702 4 317 344 LEU . 26702 4 318 345 PRO . 26702 4 319 346 PRO . 26702 4 320 347 ALA . 26702 4 321 348 LYS . 26702 4 322 349 ALA . 26702 4 323 350 PRO . 26702 4 324 351 PRO . 26702 4 325 352 ILE . 26702 4 326 353 PRO . 26702 4 327 354 PRO . 26702 4 328 355 PRO . 26702 4 329 356 ARG . 26702 4 330 357 ARG . 26702 4 331 358 LYS . 26702 4 332 359 ARG . 26702 4 333 360 THR . 26702 4 334 361 VAL . 26702 4 335 362 VAL . 26702 4 336 363 LEU . 26702 4 337 364 SER . 26702 4 338 365 GLU . 26702 4 339 366 SER . 26702 4 340 367 THR . 26702 4 341 368 VAL . 26702 4 342 369 SER . 26702 4 343 370 SER . 26702 4 344 371 ALA . 26702 4 345 372 LEU . 26702 4 346 373 ALA . 26702 4 347 374 GLU . 26702 4 348 375 LEU . 26702 4 349 376 ALA . 26702 4 350 377 THR . 26702 4 351 378 LYS . 26702 4 352 379 THR . 26702 4 353 380 PHE . 26702 4 354 381 GLY . 26702 4 355 382 SER . 26702 4 356 383 SER . 26702 4 357 384 GLU . 26702 4 358 385 SER . 26702 4 359 386 SER . 26702 4 360 387 ALA . 26702 4 361 388 VAL . 26702 4 362 389 ASP . 26702 4 363 390 SER . 26702 4 364 391 GLY . 26702 4 365 392 THR . 26702 4 366 393 ALA . 26702 4 367 394 THR . 26702 4 368 395 ALA . 26702 4 369 396 SER . 26702 4 370 397 PRO . 26702 4 371 398 ASP . 26702 4 372 399 GLN . 26702 4 373 400 PRO . 26702 4 374 401 SER . 26702 4 375 402 ASP . 26702 4 376 403 ASP . 26702 4 377 404 GLY . 26702 4 378 405 ASP . 26702 4 379 406 ALA . 26702 4 380 407 GLY . 26702 4 381 408 SEP . 26702 4 382 409 ASP . 26702 4 383 410 VAL . 26702 4 384 411 GLU . 26702 4 385 412 SEP . 26702 4 386 413 TYR . 26702 4 387 414 SER . 26702 4 388 415 SEP . 26702 4 389 416 MET . 26702 4 390 417 PRO . 26702 4 391 418 PRO . 26702 4 392 419 LEU . 26702 4 393 420 GLU . 26702 4 394 421 GLY . 26702 4 395 422 GLU . 26702 4 396 423 PRO . 26702 4 397 424 GLY . 26702 4 398 425 ASP . 26702 4 399 426 PRO . 26702 4 400 427 ASP . 26702 4 401 428 LEU . 26702 4 402 429 SER . 26702 4 403 430 ASP . 26702 4 404 431 GLY . 26702 4 405 432 SEP . 26702 4 406 433 TRP . 26702 4 407 434 SEP . 26702 4 408 435 TPO . 26702 4 409 436 VAL . 26702 4 410 437 SEP . 26702 4 411 438 GLU . 26702 4 412 439 GLU . 26702 4 413 440 ALA . 26702 4 414 441 SER . 26702 4 415 442 GLU . 26702 4 416 443 ASP . 26702 4 417 444 VAL . 26702 4 418 445 VAL . 26702 4 419 446 CYS . 26702 4 420 447 CYS . 26702 4 421 448 SER . 26702 4 422 449 ALA . 26702 4 423 450 TRP . 26702 4 424 451 SER . 26702 4 425 452 HIS . 26702 4 426 453 PRO . 26702 4 427 454 GLN . 26702 4 428 455 PHE . 26702 4 429 456 GLU . 26702 4 430 457 LYS . 26702 4 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26702 4 . ALA 2 2 26702 4 . ARG 3 3 26702 4 . LEU 4 4 26702 4 . PRO 5 5 26702 4 . GLY 6 6 26702 4 . VAL 7 7 26702 4 . PRO 8 8 26702 4 . PHE 9 9 26702 4 . PHE 10 10 26702 4 . SER 11 11 26702 4 . CYS 12 12 26702 4 . GLN 13 13 26702 4 . ARG 14 14 26702 4 . GLY 15 15 26702 4 . TYR 16 16 26702 4 . LYS 17 17 26702 4 . GLY 18 18 26702 4 . VAL 19 19 26702 4 . TRP 20 20 26702 4 . ARG 21 21 26702 4 . GLY 22 22 26702 4 . ASP 23 23 26702 4 . GLY 24 24 26702 4 . ILE 25 25 26702 4 . MET 26 26 26702 4 . GLN 27 27 26702 4 . THR 28 28 26702 4 . THR 29 29 26702 4 . CYS 30 30 26702 4 . PRO 31 31 26702 4 . CYS 32 32 26702 4 . GLY 33 33 26702 4 . ALA 34 34 26702 4 . GLN 35 35 26702 4 . ILE 36 36 26702 4 . THR 37 37 26702 4 . GLY 38 38 26702 4 . HIS 39 39 26702 4 . VAL 40 40 26702 4 . LYS 41 41 26702 4 . ASN 42 42 26702 4 . GLY 43 43 26702 4 . SER 44 44 26702 4 . MET 45 45 26702 4 . ARG 46 46 26702 4 . ILE 47 47 26702 4 . VAL 48 48 26702 4 . GLY 49 49 26702 4 . PRO 50 50 26702 4 . ARG 51 51 26702 4 . THR 52 52 26702 4 . CYS 53 53 26702 4 . SER 54 54 26702 4 . ASN 55 55 26702 4 . THR 56 56 26702 4 . TRP 57 57 26702 4 . HIS 58 58 26702 4 . GLY 59 59 26702 4 . THR 60 60 26702 4 . PHE 61 61 26702 4 . PRO 62 62 26702 4 . ILE 63 63 26702 4 . ASN 64 64 26702 4 . ALA 65 65 26702 4 . TYR 66 66 26702 4 . THR 67 67 26702 4 . THR 68 68 26702 4 . GLY 69 69 26702 4 . PRO 70 70 26702 4 . CYS 71 71 26702 4 . THR 72 72 26702 4 . PRO 73 73 26702 4 . SER 74 74 26702 4 . PRO 75 75 26702 4 . ALA 76 76 26702 4 . PRO 77 77 26702 4 . ASN 78 78 26702 4 . TYR 79 79 26702 4 . SER 80 80 26702 4 . ARG 81 81 26702 4 . ALA 82 82 26702 4 . LEU 83 83 26702 4 . TRP 84 84 26702 4 . ARG 85 85 26702 4 . VAL 86 86 26702 4 . ALA 87 87 26702 4 . ALA 88 88 26702 4 . GLU 89 89 26702 4 . GLU 90 90 26702 4 . TYR 91 91 26702 4 . VAL 92 92 26702 4 . GLU 93 93 26702 4 . VAL 94 94 26702 4 . THR 95 95 26702 4 . ARG 96 96 26702 4 . VAL 97 97 26702 4 . GLY 98 98 26702 4 . ASP 99 99 26702 4 . PHE 100 100 26702 4 . HIS 101 101 26702 4 . TYR 102 102 26702 4 . VAL 103 103 26702 4 . THR 104 104 26702 4 . GLY 105 105 26702 4 . MET 106 106 26702 4 . THR 107 107 26702 4 . THR 108 108 26702 4 . ASP 109 109 26702 4 . ASN 110 110 26702 4 . VAL 111 111 26702 4 . LYS 112 112 26702 4 . CYS 113 113 26702 4 . PRO 114 114 26702 4 . CYS 115 115 26702 4 . GLN 116 116 26702 4 . VAL 117 117 26702 4 . PRO 118 118 26702 4 . ALA 119 119 26702 4 . PRO 120 120 26702 4 . GLU 121 121 26702 4 . PHE 122 122 26702 4 . PHE 123 123 26702 4 . THR 124 124 26702 4 . GLU 125 125 26702 4 . VAL 126 126 26702 4 . ASP 127 127 26702 4 . GLY 128 128 26702 4 . VAL 129 129 26702 4 . ARG 130 130 26702 4 . LEU 131 131 26702 4 . HIS 132 132 26702 4 . ARG 133 133 26702 4 . TYR 134 134 26702 4 . ALA 135 135 26702 4 . PRO 136 136 26702 4 . ALA 137 137 26702 4 . CYS 138 138 26702 4 . LYS 139 139 26702 4 . PRO 140 140 26702 4 . LEU 141 141 26702 4 . LEU 142 142 26702 4 . ARG 143 143 26702 4 . GLU 144 144 26702 4 . GLU 145 145 26702 4 . VAL 146 146 26702 4 . THR 147 147 26702 4 . PHE 148 148 26702 4 . LEU 149 149 26702 4 . VAL 150 150 26702 4 . GLY 151 151 26702 4 . LEU 152 152 26702 4 . ASN 153 153 26702 4 . GLN 154 154 26702 4 . TYR 155 155 26702 4 . LEU 156 156 26702 4 . VAL 157 157 26702 4 . GLY 158 158 26702 4 . SER 159 159 26702 4 . GLN 160 160 26702 4 . LEU 161 161 26702 4 . PRO 162 162 26702 4 . CYS 163 163 26702 4 . GLU 164 164 26702 4 . PRO 165 165 26702 4 . GLU 166 166 26702 4 . PRO 167 167 26702 4 . ASP 168 168 26702 4 . VAL 169 169 26702 4 . ALA 170 170 26702 4 . VAL 171 171 26702 4 . LEU 172 172 26702 4 . THR 173 173 26702 4 . SER 174 174 26702 4 . MET 175 175 26702 4 . LEU 176 176 26702 4 . THR 177 177 26702 4 . ASP 178 178 26702 4 . PRO 179 179 26702 4 . SER 180 180 26702 4 . HIS 181 181 26702 4 . ILE 182 182 26702 4 . THR 183 183 26702 4 . ALA 184 184 26702 4 . GLU 185 185 26702 4 . THR 186 186 26702 4 . ALA 187 187 26702 4 . LYS 188 188 26702 4 . ARG 189 189 26702 4 . ARG 190 190 26702 4 . LEU 191 191 26702 4 . ALA 192 192 26702 4 . ARG 193 193 26702 4 . GLY 194 194 26702 4 . SER 195 195 26702 4 . PRO 196 196 26702 4 . PRO 197 197 26702 4 . SER 198 198 26702 4 . LEU 199 199 26702 4 . ALA 200 200 26702 4 . SER 201 201 26702 4 . SER 202 202 26702 4 . SER 203 203 26702 4 . ALA 204 204 26702 4 . SER 205 205 26702 4 . GLN 206 206 26702 4 . LEU 207 207 26702 4 . SER 208 208 26702 4 . ALA 209 209 26702 4 . PRO 210 210 26702 4 . SER 211 211 26702 4 . LEU 212 212 26702 4 . LYS 213 213 26702 4 . ALA 214 214 26702 4 . THR 215 215 26702 4 . CYS 216 216 26702 4 . THR 217 217 26702 4 . THR 218 218 26702 4 . ARG 219 219 26702 4 . HIS 220 220 26702 4 . ASP 221 221 26702 4 . SER 222 222 26702 4 . PRO 223 223 26702 4 . ASP 224 224 26702 4 . ALA 225 225 26702 4 . ASP 226 226 26702 4 . LEU 227 227 26702 4 . ILE 228 228 26702 4 . GLU 229 229 26702 4 . ALA 230 230 26702 4 . ASN 231 231 26702 4 . LEU 232 232 26702 4 . LEU 233 233 26702 4 . TRP 234 234 26702 4 . ARG 235 235 26702 4 . GLN 236 236 26702 4 . GLU 237 237 26702 4 . MET 238 238 26702 4 . GLY 239 239 26702 4 . GLY 240 240 26702 4 . ASN 241 241 26702 4 . ILE 242 242 26702 4 . THR 243 243 26702 4 . ARG 244 244 26702 4 . VAL 245 245 26702 4 . GLU 246 246 26702 4 . SER 247 247 26702 4 . GLU 248 248 26702 4 . ASN 249 249 26702 4 . LYS 250 250 26702 4 . VAL 251 251 26702 4 . VAL 252 252 26702 4 . ILE 253 253 26702 4 . LEU 254 254 26702 4 . ASP 255 255 26702 4 . SER 256 256 26702 4 . PHE 257 257 26702 4 . GLU 258 258 26702 4 . PRO 259 259 26702 4 . LEU 260 260 26702 4 . GLN 261 261 26702 4 . ALA 262 262 26702 4 . GLU 263 263 26702 4 . GLU 264 264 26702 4 . ASP 265 265 26702 4 . GLU 266 266 26702 4 . ARG 267 267 26702 4 . GLU 268 268 26702 4 . VAL 269 269 26702 4 . SER 270 270 26702 4 . VAL 271 271 26702 4 . PRO 272 272 26702 4 . ALA 273 273 26702 4 . GLU 274 274 26702 4 . ILE 275 275 26702 4 . LEU 276 276 26702 4 . ARG 277 277 26702 4 . ARG 278 278 26702 4 . SER 279 279 26702 4 . ARG 280 280 26702 4 . LYS 281 281 26702 4 . PHE 282 282 26702 4 . PRO 283 283 26702 4 . ARG 284 284 26702 4 . ALA 285 285 26702 4 . MET 286 286 26702 4 . PRO 287 287 26702 4 . ILE 288 288 26702 4 . TRP 289 289 26702 4 . ALA 290 290 26702 4 . ARG 291 291 26702 4 . PRO 292 292 26702 4 . ASP 293 293 26702 4 . TYR 294 294 26702 4 . ASN 295 295 26702 4 . PRO 296 296 26702 4 . PRO 297 297 26702 4 . LEU 298 298 26702 4 . LEU 299 299 26702 4 . GLU 300 300 26702 4 . SER 301 301 26702 4 . TRP 302 302 26702 4 . LYS 303 303 26702 4 . ASP 304 304 26702 4 . PRO 305 305 26702 4 . ASP 306 306 26702 4 . TYR 307 307 26702 4 . VAL 308 308 26702 4 . PRO 309 309 26702 4 . PRO 310 310 26702 4 . VAL 311 311 26702 4 . VAL 312 312 26702 4 . HIS 313 313 26702 4 . GLY 314 314 26702 4 . CYS 315 315 26702 4 . PRO 316 316 26702 4 . LEU 317 317 26702 4 . PRO 318 318 26702 4 . PRO 319 319 26702 4 . ALA 320 320 26702 4 . LYS 321 321 26702 4 . ALA 322 322 26702 4 . PRO 323 323 26702 4 . PRO 324 324 26702 4 . ILE 325 325 26702 4 . PRO 326 326 26702 4 . PRO 327 327 26702 4 . PRO 328 328 26702 4 . ARG 329 329 26702 4 . ARG 330 330 26702 4 . LYS 331 331 26702 4 . ARG 332 332 26702 4 . THR 333 333 26702 4 . VAL 334 334 26702 4 . VAL 335 335 26702 4 . LEU 336 336 26702 4 . SER 337 337 26702 4 . GLU 338 338 26702 4 . SER 339 339 26702 4 . THR 340 340 26702 4 . VAL 341 341 26702 4 . SER 342 342 26702 4 . SER 343 343 26702 4 . ALA 344 344 26702 4 . LEU 345 345 26702 4 . ALA 346 346 26702 4 . GLU 347 347 26702 4 . LEU 348 348 26702 4 . ALA 349 349 26702 4 . THR 350 350 26702 4 . LYS 351 351 26702 4 . THR 352 352 26702 4 . PHE 353 353 26702 4 . GLY 354 354 26702 4 . SER 355 355 26702 4 . SER 356 356 26702 4 . GLU 357 357 26702 4 . SER 358 358 26702 4 . SER 359 359 26702 4 . ALA 360 360 26702 4 . VAL 361 361 26702 4 . ASP 362 362 26702 4 . SER 363 363 26702 4 . GLY 364 364 26702 4 . THR 365 365 26702 4 . ALA 366 366 26702 4 . THR 367 367 26702 4 . ALA 368 368 26702 4 . SER 369 369 26702 4 . PRO 370 370 26702 4 . ASP 371 371 26702 4 . GLN 372 372 26702 4 . PRO 373 373 26702 4 . SER 374 374 26702 4 . ASP 375 375 26702 4 . ASP 376 376 26702 4 . GLY 377 377 26702 4 . ASP 378 378 26702 4 . ALA 379 379 26702 4 . GLY 380 380 26702 4 . SEP 381 381 26702 4 . ASP 382 382 26702 4 . VAL 383 383 26702 4 . GLU 384 384 26702 4 . SEP 385 385 26702 4 . TYR 386 386 26702 4 . SER 387 387 26702 4 . SEP 388 388 26702 4 . MET 389 389 26702 4 . PRO 390 390 26702 4 . PRO 391 391 26702 4 . LEU 392 392 26702 4 . GLU 393 393 26702 4 . GLY 394 394 26702 4 . GLU 395 395 26702 4 . PRO 396 396 26702 4 . GLY 397 397 26702 4 . ASP 398 398 26702 4 . PRO 399 399 26702 4 . ASP 400 400 26702 4 . LEU 401 401 26702 4 . SER 402 402 26702 4 . ASP 403 403 26702 4 . GLY 404 404 26702 4 . SEP 405 405 26702 4 . TRP 406 406 26702 4 . SEP 407 407 26702 4 . TPO 408 408 26702 4 . VAL 409 409 26702 4 . SEP 410 410 26702 4 . GLU 411 411 26702 4 . GLU 412 412 26702 4 . ALA 413 413 26702 4 . SER 414 414 26702 4 . GLU 415 415 26702 4 . ASP 416 416 26702 4 . VAL 417 417 26702 4 . VAL 418 418 26702 4 . CYS 419 419 26702 4 . CYS 420 420 26702 4 . SER 421 421 26702 4 . ALA 422 422 26702 4 . TRP 423 423 26702 4 . SER 424 424 26702 4 . HIS 425 425 26702 4 . PRO 426 426 26702 4 . GLN 427 427 26702 4 . PHE 428 428 26702 4 . GLU 429 429 26702 4 . LYS 430 430 26702 4 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 26702 _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 $NS5A-D1D2D3 . 11103 virus . 'Hepatitis C Virus' 'Hepatitis C Virus' . . Viruses . Hepacivirus 'Hepatitis C Virus' 'Con1 isolate' . . . . . . . . . . . . 26702 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 26702 _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 $NS5A-D1D2D3 . 'cell free synthesis' 'wheat germ - cell free' . . . . . . . . . . . pEU-E01-MCS . . . 26702 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 26702 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _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 PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _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 BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 26702 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 26702 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26702 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 26702 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 26702 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 26702 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 26702 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26702 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 26702 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 26702 SEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 26702 SEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 26702 SEP OG OG OG OG . O . . N 0 . . . 1 no no . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 26702 SEP C C C C . C . . N 0 . . . 1 no no . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 26702 SEP O O O O . O . . N 0 . . . 1 no no . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 26702 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 26702 SEP P P P P . P . . N 0 . . . 1 no no . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 26702 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 26702 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 26702 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 26702 SEP H H H H . H . . N 0 . . . 1 no no . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 26702 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 26702 SEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 26702 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 26702 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 26702 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 26702 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 26702 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 26702 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 26702 SEP 2 . SING N H no N 2 . 26702 SEP 3 . SING N H2 no N 3 . 26702 SEP 4 . SING CA CB no N 4 . 26702 SEP 5 . SING CA C no N 5 . 26702 SEP 6 . SING CA HA no N 6 . 26702 SEP 7 . SING CB OG no N 7 . 26702 SEP 8 . SING CB HB2 no N 8 . 26702 SEP 9 . SING CB HB3 no N 9 . 26702 SEP 10 . SING OG P no N 10 . 26702 SEP 11 . DOUB C O no N 11 . 26702 SEP 12 . SING C OXT no N 12 . 26702 SEP 13 . SING OXT HXT no N 13 . 26702 SEP 14 . DOUB P O1P no N 14 . 26702 SEP 15 . SING P O2P no N 15 . 26702 SEP 16 . SING P O3P no N 16 . 26702 SEP 17 . SING O2P HOP2 no N 17 . 26702 SEP 18 . SING O3P HOP3 no N 18 . 26702 SEP stop_ save_ save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 26702 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID THR _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 PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FMO _Chem_comp.Processing_site EBI _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 CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 26702 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 26702 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26702 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 26702 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 26702 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 26702 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 26702 TPO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26702 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 26702 TPO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 26702 TPO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 26702 TPO CB CB CB CB . C . . R 0 . . . 1 no no . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 26702 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 26702 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 26702 TPO P P P P . P . . N 0 . . . 1 no no . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 26702 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 26702 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 26702 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 26702 TPO C C C C . C . . N 0 . . . 1 no no . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 26702 TPO O O O O . O . . N 0 . . . 1 no no . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 26702 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 26702 TPO H H H H . H . . N 0 . . . 1 no no . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 26702 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 26702 TPO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 26702 TPO HB HB HB HB . H . . N 0 . . . 1 no no . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 26702 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 no no . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 26702 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 no no . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 26702 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 no no . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 26702 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 26702 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 26702 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 26702 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 26702 TPO 2 . SING N H no N 2 . 26702 TPO 3 . SING N H2 no N 3 . 26702 TPO 4 . SING CA CB no N 4 . 26702 TPO 5 . SING CA C no N 5 . 26702 TPO 6 . SING CA HA no N 6 . 26702 TPO 7 . SING CB CG2 no N 7 . 26702 TPO 8 . SING CB OG1 no N 8 . 26702 TPO 9 . SING CB HB no N 9 . 26702 TPO 10 . SING CG2 HG21 no N 10 . 26702 TPO 11 . SING CG2 HG22 no N 11 . 26702 TPO 12 . SING CG2 HG23 no N 12 . 26702 TPO 13 . SING OG1 P no N 13 . 26702 TPO 14 . DOUB P O1P no N 14 . 26702 TPO 15 . SING P O2P no N 15 . 26702 TPO 16 . SING P O3P no N 16 . 26702 TPO 17 . SING O2P HOP2 no N 17 . 26702 TPO 18 . SING O3P HOP3 no N 18 . 26702 TPO 19 . DOUB C O no N 19 . 26702 TPO 20 . SING C OXT no N 20 . 26702 TPO 21 . SING OXT HXT no N 21 . 26702 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26702 _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 NS5A-D1D2D3 '[U-100% 13C; U-100% 15N]' . . 1 $NS5A-D1D2D3 . . 120 . . uM . . . . 26702 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26702 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26702 1 4 THP 'natural abundance' . . . . . . 1 . . mM . . . . 26702 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26702 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 26702 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.100 . M 26702 1 pH 6.7 . pH 26702 1 pressure 1 . atm 26702 1 temperature 298 . K 26702 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26702 _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' . . 26702 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26702 1 processing 26702 1 stop_ save_ save_In_house_product_plane_algorithm _Software.Sf_category software _Software.Sf_framecode In_house_product_plane_algorithm _Software.Entry_ID 26702 _Software.ID 2 _Software.Name In_house_product_plane_algorithm _Software.Version . _Software.Details 'Published in 2008 (Verdegem et al. (2008) J. Biomol NMR 42:11-21)' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dries Verdegem' . . 26702 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26702 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 26702 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 26702 _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 . 900 . . . 26702 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 26702 _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 . . . . . . . . . . . . . . . . 26702 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26702 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26702 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26702 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26702 1 6 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26702 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 26702 _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 . . . . . 26702 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26702 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26702 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 26702 _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 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.500 _Assigned_chem_shift_list.Chem_shift_15N_err 0.120 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This strongest intensity population is called Major conformer. ; _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' . . . 26702 1 2 '3D HNCACB' . . . 26702 1 3 '3D HN(CO)CACB' . . . 26702 1 4 '3D HNCO' . . . 26702 1 5 '3D HN(CA)CO' . . . 26702 1 6 '3D HN(CA)NNH' . . . 26702 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 1 224 224 ASP H H 1 8.251 0.007 . 1 . . . . 251 ASP H . 26702 1 2 . 1 1 224 224 ASP C C 13 176.246 0.100 . 1 . . . . 251 ASP C . 26702 1 3 . 1 1 224 224 ASP CA C 13 54.343 0.500 . 1 . . . . 251 ASP CA . 26702 1 4 . 1 1 224 224 ASP CB C 13 40.866 0.500 . 1 . . . . 251 ASP CB . 26702 1 5 . 1 1 224 224 ASP N N 15 119.629 0.120 . 1 . . . . 251 ASP N . 26702 1 6 . 1 1 225 225 ALA H H 1 8.074 0.007 . 1 . . . . 252 ALA H . 26702 1 7 . 1 1 225 225 ALA C C 13 177.901 0.100 . 1 . . . . 252 ALA C . 26702 1 8 . 1 1 225 225 ALA CA C 13 53.455 0.500 . 1 . . . . 252 ALA CA . 26702 1 9 . 1 1 225 225 ALA CB C 13 19.062 0.500 . 1 . . . . 252 ALA CB . 26702 1 10 . 1 1 225 225 ALA N N 15 123.909 0.120 . 1 . . . . 252 ALA N . 26702 1 11 . 1 1 226 226 ASP H H 1 8.266 0.007 . 1 . . . . 253 ASP H . 26702 1 12 . 1 1 226 226 ASP C C 13 176.629 0.100 . 1 . . . . 253 ASP C . 26702 1 13 . 1 1 226 226 ASP CA C 13 54.980 0.500 . 1 . . . . 253 ASP CA . 26702 1 14 . 1 1 226 226 ASP CB C 13 40.573 0.500 . 1 . . . . 253 ASP CB . 26702 1 15 . 1 1 226 226 ASP N N 15 118.397 0.120 . 1 . . . . 253 ASP N . 26702 1 16 . 1 1 227 227 LEU H H 1 7.918 0.007 . 1 . . . . 254 LEU H . 26702 1 17 . 1 1 227 227 LEU C C 13 177.588 0.100 . 1 . . . . 254 LEU C . 26702 1 18 . 1 1 227 227 LEU CA C 13 55.555 0.500 . 1 . . . . 254 LEU CA . 26702 1 19 . 1 1 227 227 LEU CB C 13 41.926 0.500 . 1 . . . . 254 LEU CB . 26702 1 20 . 1 1 227 227 LEU N N 15 121.890 0.120 . 1 . . . . 254 LEU N . 26702 1 21 . 1 1 228 228 ILE H H 1 7.939 0.007 . 1 . . . . 255 ILE H . 26702 1 22 . 1 1 228 228 ILE C C 13 176.962 0.100 . 1 . . . . 255 ILE C . 26702 1 23 . 1 1 228 228 ILE CA C 13 62.054 0.500 . 1 . . . . 255 ILE CA . 26702 1 24 . 1 1 228 228 ILE CB C 13 37.977 0.500 . 1 . . . . 255 ILE CB . 26702 1 25 . 1 1 228 228 ILE N N 15 121.221 0.120 . 1 . . . . 255 ILE N . 26702 1 26 . 1 1 229 229 GLU H H 1 8.322 0.007 . 1 . . . . 256 GLU H . 26702 1 27 . 1 1 229 229 GLU C C 13 176.978 0.100 . 1 . . . . 256 GLU C . 26702 1 28 . 1 1 229 229 GLU CA C 13 57.439 0.500 . 1 . . . . 256 GLU CA . 26702 1 29 . 1 1 229 229 GLU CB C 13 29.820 0.500 . 1 . . . . 256 GLU CB . 26702 1 30 . 1 1 229 229 GLU N N 15 123.472 0.120 . 1 . . . . 256 GLU N . 26702 1 31 . 1 1 230 230 ALA H H 1 8.166 0.007 . 1 . . . . 257 ALA H . 26702 1 32 . 1 1 230 230 ALA C C 13 178.227 0.100 . 1 . . . . 257 ALA C . 26702 1 33 . 1 1 230 230 ALA CA C 13 53.619 0.500 . 1 . . . . 257 ALA CA . 26702 1 34 . 1 1 230 230 ALA CB C 13 18.721 0.500 . 1 . . . . 257 ALA CB . 26702 1 35 . 1 1 230 230 ALA N N 15 123.330 0.120 . 1 . . . . 257 ALA N . 26702 1 36 . 1 1 231 231 ASN H H 1 8.191 0.007 . 1 . . . . 258 ASN H . 26702 1 37 . 1 1 231 231 ASN C C 13 175.737 0.100 . 1 . . . . 258 ASN C . 26702 1 38 . 1 1 231 231 ASN CA C 13 53.890 0.500 . 1 . . . . 258 ASN CA . 26702 1 39 . 1 1 231 231 ASN CB C 13 38.268 0.500 . 1 . . . . 258 ASN CB . 26702 1 40 . 1 1 231 231 ASN N N 15 116.465 0.120 . 1 . . . . 258 ASN N . 26702 1 41 . 1 1 232 232 LEU H H 1 7.994 0.007 . 1 . . . . 259 LEU H . 26702 1 42 . 1 1 232 232 LEU C C 13 177.850 0.100 . 1 . . . . 259 LEU C . 26702 1 43 . 1 1 232 232 LEU CA C 13 56.152 0.500 . 1 . . . . 259 LEU CA . 26702 1 44 . 1 1 232 232 LEU CB C 13 41.811 0.500 . 1 . . . . 259 LEU CB . 26702 1 45 . 1 1 232 232 LEU N N 15 121.474 0.120 . 1 . . . . 259 LEU N . 26702 1 46 . 1 1 233 233 LEU H H 1 7.976 0.007 . 1 . . . . 260 LEU H . 26702 1 47 . 1 1 233 233 LEU C C 13 177.920 0.100 . 1 . . . . 260 LEU C . 26702 1 48 . 1 1 233 233 LEU CA C 13 56.184 0.500 . 1 . . . . 260 LEU CA . 26702 1 49 . 1 1 233 233 LEU CB C 13 41.800 0.500 . 1 . . . . 260 LEU CB . 26702 1 50 . 1 1 233 233 LEU N N 15 120.675 0.120 . 1 . . . . 260 LEU N . 26702 1 51 . 1 1 239 239 GLY C C 13 174.627 0.100 . 1 . . . . 266 GLY C . 26702 1 52 . 1 1 239 239 GLY CA C 13 45.243 0.500 . 1 . . . . 266 GLY CA . 26702 1 53 . 1 1 240 240 GLY H H 1 8.212 0.007 . 1 . . . . 267 GLY H . 26702 1 54 . 1 1 240 240 GLY C C 13 174.554 0.100 . 1 . . . . 267 GLY C . 26702 1 55 . 1 1 240 240 GLY CA C 13 44.998 0.500 . 1 . . . . 267 GLY CA . 26702 1 56 . 1 1 240 240 GLY N N 15 108.289 0.120 . 1 . . . . 267 GLY N . 26702 1 57 . 1 1 241 241 ASN H H 1 8.326 0.007 . 1 . . . . 268 ASN H . 26702 1 58 . 1 1 241 241 ASN C C 13 175.091 0.100 . 1 . . . . 268 ASN C . 26702 1 59 . 1 1 241 241 ASN CA C 13 53.284 0.500 . 1 . . . . 268 ASN CA . 26702 1 60 . 1 1 241 241 ASN CB C 13 38.892 0.500 . 1 . . . . 268 ASN CB . 26702 1 61 . 1 1 241 241 ASN N N 15 118.648 0.120 . 1 . . . . 268 ASN N . 26702 1 62 . 1 1 242 242 ILE H H 1 8.075 0.007 . 1 . . . . 269 ILE H . 26702 1 63 . 1 1 242 242 ILE C C 13 176.260 0.100 . 1 . . . . 269 ILE C . 26702 1 64 . 1 1 242 242 ILE CA C 13 61.157 0.500 . 1 . . . . 269 ILE CA . 26702 1 65 . 1 1 242 242 ILE CB C 13 38.489 0.500 . 1 . . . . 269 ILE CB . 26702 1 66 . 1 1 242 242 ILE N N 15 120.791 0.120 . 1 . . . . 269 ILE N . 26702 1 67 . 1 1 243 243 THR H H 1 8.259 0.007 . 1 . . . . 270 THR H . 26702 1 68 . 1 1 243 243 THR C C 13 174.147 0.100 . 1 . . . . 270 THR C . 26702 1 69 . 1 1 243 243 THR CA C 13 62.018 0.500 . 1 . . . . 270 THR CA . 26702 1 70 . 1 1 243 243 THR CB C 13 69.680 0.500 . 1 . . . . 270 THR CB . 26702 1 71 . 1 1 243 243 THR N N 15 118.836 0.120 . 1 . . . . 270 THR N . 26702 1 72 . 1 1 244 244 ARG H H 1 8.334 0.007 . 1 . . . . 271 ARG H . 26702 1 73 . 1 1 244 244 ARG C C 13 175.959 0.100 . 1 . . . . 271 ARG C . 26702 1 74 . 1 1 244 244 ARG CA C 13 55.929 0.500 . 1 . . . . 271 ARG CA . 26702 1 75 . 1 1 244 244 ARG CB C 13 31.010 0.500 . 1 . . . . 271 ARG CB . 26702 1 76 . 1 1 244 244 ARG N N 15 124.390 0.120 . 1 . . . . 271 ARG N . 26702 1 77 . 1 1 245 245 VAL H H 1 8.246 0.007 . 1 . . . . 272 VAL H . 26702 1 78 . 1 1 245 245 VAL C C 13 176.263 0.100 . 1 . . . . 272 VAL C . 26702 1 79 . 1 1 245 245 VAL CA C 13 62.219 0.500 . 1 . . . . 272 VAL CA . 26702 1 80 . 1 1 245 245 VAL CB C 13 32.548 0.500 . 1 . . . . 272 VAL CB . 26702 1 81 . 1 1 245 245 VAL N N 15 122.287 0.120 . 1 . . . . 272 VAL N . 26702 1 82 . 1 1 246 246 GLU H H 1 8.563 0.007 . 1 . . . . 273 GLU H . 26702 1 83 . 1 1 246 246 GLU C C 13 176.543 0.100 . 1 . . . . 273 GLU C . 26702 1 84 . 1 1 246 246 GLU CA C 13 56.542 0.500 . 1 . . . . 273 GLU CA . 26702 1 85 . 1 1 246 246 GLU CB C 13 30.207 0.500 . 1 . . . . 273 GLU CB . 26702 1 86 . 1 1 246 246 GLU N N 15 124.959 0.120 . 1 . . . . 273 GLU N . 26702 1 87 . 1 1 247 247 SER H H 1 8.308 0.007 . 1 . . . . 274 SER H . 26702 1 88 . 1 1 247 247 SER C C 13 174.590 0.100 . 1 . . . . 274 SER C . 26702 1 89 . 1 1 247 247 SER CA C 13 58.471 0.500 . 1 . . . . 274 SER CA . 26702 1 90 . 1 1 247 247 SER CB C 13 63.701 0.500 . 1 . . . . 274 SER CB . 26702 1 91 . 1 1 247 247 SER N N 15 116.574 0.120 . 1 . . . . 274 SER N . 26702 1 92 . 1 1 248 248 GLU H H 1 8.434 0.007 . 1 . . . . 275 GLU H . 26702 1 93 . 1 1 248 248 GLU C C 13 176.105 0.100 . 1 . . . . 275 GLU C . 26702 1 94 . 1 1 248 248 GLU CA C 13 56.648 0.500 . 1 . . . . 275 GLU CA . 26702 1 95 . 1 1 248 248 GLU CB C 13 29.861 0.500 . 1 . . . . 275 GLU CB . 26702 1 96 . 1 1 248 248 GLU N N 15 122.503 0.120 . 1 . . . . 275 GLU N . 26702 1 97 . 1 1 249 249 ASN H H 1 8.388 0.007 . 1 . . . . 276 ASN H . 26702 1 98 . 1 1 249 249 ASN C C 13 174.829 0.100 . 1 . . . . 276 ASN C . 26702 1 99 . 1 1 249 249 ASN CA C 13 53.125 0.500 . 1 . . . . 276 ASN CA . 26702 1 100 . 1 1 249 249 ASN CB C 13 38.758 0.500 . 1 . . . . 276 ASN CB . 26702 1 101 . 1 1 249 249 ASN N N 15 119.524 0.120 . 1 . . . . 276 ASN N . 26702 1 102 . 1 1 250 250 LYS H H 1 8.184 0.007 . 1 . . . . 277 LYS H . 26702 1 103 . 1 1 250 250 LYS C C 13 176.175 0.100 . 1 . . . . 277 LYS C . 26702 1 104 . 1 1 250 250 LYS CA C 13 55.967 0.500 . 1 . . . . 277 LYS CA . 26702 1 105 . 1 1 250 250 LYS CB C 13 32.820 0.500 . 1 . . . . 277 LYS CB . 26702 1 106 . 1 1 250 250 LYS N N 15 121.989 0.120 . 1 . . . . 277 LYS N . 26702 1 107 . 1 1 251 251 VAL H H 1 8.137 0.007 . 1 . . . . 278 VAL H . 26702 1 108 . 1 1 251 251 VAL C C 13 175.773 0.100 . 1 . . . . 278 VAL C . 26702 1 109 . 1 1 251 251 VAL CA C 13 62.120 0.500 . 1 . . . . 278 VAL CA . 26702 1 110 . 1 1 251 251 VAL CB C 13 32.473 0.500 . 1 . . . . 278 VAL CB . 26702 1 111 . 1 1 251 251 VAL N N 15 122.355 0.120 . 1 . . . . 278 VAL N . 26702 1 112 . 1 1 252 252 VAL H H 1 8.261 0.007 . 1 . . . . 279 VAL H . 26702 1 113 . 1 1 252 252 VAL C C 13 175.521 0.100 . 1 . . . . 279 VAL C . 26702 1 114 . 1 1 252 252 VAL CA C 13 62.031 0.500 . 1 . . . . 279 VAL CA . 26702 1 115 . 1 1 252 252 VAL CB C 13 32.818 0.500 . 1 . . . . 279 VAL CB . 26702 1 116 . 1 1 252 252 VAL N N 15 125.742 0.120 . 1 . . . . 279 VAL N . 26702 1 117 . 1 1 253 253 ILE H H 1 8.324 0.007 . 1 . . . . 280 ILE H . 26702 1 118 . 1 1 253 253 ILE C C 13 175.937 0.100 . 1 . . . . 280 ILE C . 26702 1 119 . 1 1 253 253 ILE CA C 13 60.455 0.500 . 1 . . . . 280 ILE CA . 26702 1 120 . 1 1 253 253 ILE CB C 13 38.109 0.500 . 1 . . . . 280 ILE CB . 26702 1 121 . 1 1 253 253 ILE N N 15 126.564 0.120 . 1 . . . . 280 ILE N . 26702 1 122 . 1 1 254 254 LEU H H 1 8.369 0.007 . 1 . . . . 281 LEU H . 26702 1 123 . 1 1 254 254 LEU C C 13 176.806 0.100 . 1 . . . . 281 LEU C . 26702 1 124 . 1 1 254 254 LEU CA C 13 54.857 0.500 . 1 . . . . 281 LEU CA . 26702 1 125 . 1 1 254 254 LEU CB C 13 42.281 0.500 . 1 . . . . 281 LEU CB . 26702 1 126 . 1 1 254 254 LEU N N 15 127.473 0.120 . 1 . . . . 281 LEU N . 26702 1 127 . 1 1 255 255 ASP H H 1 8.271 0.007 . 1 . . . . 282 ASP H . 26702 1 128 . 1 1 255 255 ASP C C 13 175.932 0.100 . 1 . . . . 282 ASP C . 26702 1 129 . 1 1 255 255 ASP CA C 13 54.022 0.500 . 1 . . . . 282 ASP CA . 26702 1 130 . 1 1 255 255 ASP CB C 13 41.007 0.500 . 1 . . . . 282 ASP CB . 26702 1 131 . 1 1 255 255 ASP N N 15 121.398 0.120 . 1 . . . . 282 ASP N . 26702 1 132 . 1 1 256 256 SER H H 1 8.064 0.007 . 1 . . . . 283 SER H . 26702 1 133 . 1 1 256 256 SER C C 13 173.956 0.100 . 1 . . . . 283 SER C . 26702 1 134 . 1 1 256 256 SER CA C 13 58.086 0.500 . 1 . . . . 283 SER CA . 26702 1 135 . 1 1 256 256 SER CB C 13 63.704 0.500 . 1 . . . . 283 SER CB . 26702 1 136 . 1 1 256 256 SER N N 15 115.293 0.120 . 1 . . . . 283 SER N . 26702 1 137 . 1 1 257 257 PHE H H 1 8.219 0.007 . 1 . . . . 284 PHE H . 26702 1 138 . 1 1 257 257 PHE C C 13 175.146 0.100 . 1 . . . . 284 PHE C . 26702 1 139 . 1 1 257 257 PHE CA C 13 57.434 0.500 . 1 . . . . 284 PHE CA . 26702 1 140 . 1 1 257 257 PHE CB C 13 39.383 0.500 . 1 . . . . 284 PHE CB . 26702 1 141 . 1 1 257 257 PHE N N 15 122.096 0.120 . 1 . . . . 284 PHE N . 26702 1 142 . 1 1 258 258 GLU H H 1 8.144 0.007 . 1 . . . . 285 GLU H . 26702 1 143 . 1 1 258 258 GLU C C 13 173.902 0.100 . 1 . . . . 285 GLU C . 26702 1 144 . 1 1 258 258 GLU CA C 13 53.819 0.500 . 1 . . . . 285 GLU CA . 26702 1 145 . 1 1 258 258 GLU CB C 13 29.798 0.500 . 1 . . . . 285 GLU CB . 26702 1 146 . 1 1 258 258 GLU N N 15 124.320 0.120 . 1 . . . . 285 GLU N . 26702 1 147 . 1 1 259 259 PRO C C 13 176.806 0.100 . 1 . . . . 286 PRO C . 26702 1 148 . 1 1 259 259 PRO CA C 13 62.919 0.500 . 1 . . . . 286 PRO CA . 26702 1 149 . 1 1 259 259 PRO CB C 13 31.916 0.500 . 1 . . . . 286 PRO CB . 26702 1 150 . 1 1 260 260 LEU H H 1 8.324 0.007 . 1 . . . . 287 LEU H . 26702 1 151 . 1 1 260 260 LEU C C 13 177.383 0.100 . 1 . . . . 287 LEU C . 26702 1 152 . 1 1 260 260 LEU CA C 13 55.124 0.500 . 1 . . . . 287 LEU CA . 26702 1 153 . 1 1 260 260 LEU CB C 13 42.214 0.500 . 1 . . . . 287 LEU CB . 26702 1 154 . 1 1 260 260 LEU N N 15 122.215 0.120 . 1 . . . . 287 LEU N . 26702 1 155 . 1 1 261 261 GLN H H 1 8.336 0.007 . 1 . . . . 288 GLN H . 26702 1 156 . 1 1 261 261 GLN C C 13 175.407 0.100 . 1 . . . . 288 GLN C . 26702 1 157 . 1 1 261 261 GLN CA C 13 55.323 0.500 . 1 . . . . 288 GLN CA . 26702 1 158 . 1 1 261 261 GLN CB C 13 29.369 0.500 . 1 . . . . 288 GLN CB . 26702 1 159 . 1 1 261 261 GLN N N 15 121.579 0.120 . 1 . . . . 288 GLN N . 26702 1 160 . 1 1 262 262 ALA H H 1 8.357 0.007 . 1 . . . . 289 ALA H . 26702 1 161 . 1 1 262 262 ALA C C 13 177.666 0.100 . 1 . . . . 289 ALA C . 26702 1 162 . 1 1 262 262 ALA CA C 13 52.485 0.500 . 1 . . . . 289 ALA CA . 26702 1 163 . 1 1 262 262 ALA CB C 13 19.238 0.500 . 1 . . . . 289 ALA CB . 26702 1 164 . 1 1 262 262 ALA N N 15 125.810 0.120 . 1 . . . . 289 ALA N . 26702 1 165 . 1 1 263 263 GLU H H 1 8.436 0.007 . 1 . . . . 290 GLU H . 26702 1 166 . 1 1 263 263 GLU C C 13 176.689 0.100 . 1 . . . . 290 GLU C . 26702 1 167 . 1 1 263 263 GLU CA C 13 56.481 0.500 . 1 . . . . 290 GLU CA . 26702 1 168 . 1 1 263 263 GLU CB C 13 30.171 0.500 . 1 . . . . 290 GLU CB . 26702 1 169 . 1 1 263 263 GLU N N 15 120.460 0.120 . 1 . . . . 290 GLU N . 26702 1 170 . 1 1 264 264 GLU H H 1 8.439 0.007 . 1 . . . . 291 GLU H . 26702 1 171 . 1 1 264 264 GLU C C 13 176.184 0.100 . 1 . . . . 291 GLU C . 26702 1 172 . 1 1 264 264 GLU CA C 13 56.604 0.500 . 1 . . . . 291 GLU CA . 26702 1 173 . 1 1 264 264 GLU CB C 13 30.125 0.500 . 1 . . . . 291 GLU CB . 26702 1 174 . 1 1 264 264 GLU N N 15 121.472 0.120 . 1 . . . . 291 GLU N . 26702 1 175 . 1 1 265 265 ASP H H 1 8.334 0.007 . 1 . . . . 292 ASP H . 26702 1 176 . 1 1 265 265 ASP C C 13 176.330 0.100 . 1 . . . . 292 ASP C . 26702 1 177 . 1 1 265 265 ASP CA C 13 54.335 0.500 . 1 . . . . 292 ASP CA . 26702 1 178 . 1 1 265 265 ASP CB C 13 41.023 0.500 . 1 . . . . 292 ASP CB . 26702 1 179 . 1 1 265 265 ASP N N 15 121.450 0.120 . 1 . . . . 292 ASP N . 26702 1 180 . 1 1 266 266 GLU H H 1 8.370 0.007 . 1 . . . . 293 GLU H . 26702 1 181 . 1 1 266 266 GLU C C 13 176.481 0.100 . 1 . . . . 293 GLU C . 26702 1 182 . 1 1 266 266 GLU CA C 13 56.740 0.500 . 1 . . . . 293 GLU CA . 26702 1 183 . 1 1 266 266 GLU CB C 13 29.926 0.500 . 1 . . . . 293 GLU CB . 26702 1 184 . 1 1 266 266 GLU N N 15 121.730 0.120 . 1 . . . . 293 GLU N . 26702 1 185 . 1 1 267 267 ARG H H 1 8.236 0.007 . 1 . . . . 294 ARG H . 26702 1 186 . 1 1 267 267 ARG C C 13 176.361 0.100 . 1 . . . . 294 ARG C . 26702 1 187 . 1 1 267 267 ARG CA C 13 56.083 0.500 . 1 . . . . 294 ARG CA . 26702 1 188 . 1 1 267 267 ARG CB C 13 30.611 0.500 . 1 . . . . 294 ARG CB . 26702 1 189 . 1 1 267 267 ARG N N 15 121.511 0.120 . 1 . . . . 294 ARG N . 26702 1 190 . 1 1 268 268 GLU H H 1 8.352 0.007 . 1 . . . . 295 GLU H . 26702 1 191 . 1 1 268 268 GLU C C 13 176.433 0.100 . 1 . . . . 295 GLU C . 26702 1 192 . 1 1 268 268 GLU CA C 13 56.354 0.500 . 1 . . . . 295 GLU CA . 26702 1 193 . 1 1 268 268 GLU CB C 13 30.116 0.500 . 1 . . . . 295 GLU CB . 26702 1 194 . 1 1 268 268 GLU N N 15 121.481 0.120 . 1 . . . . 295 GLU N . 26702 1 195 . 1 1 272 272 PRO C C 13 176.676 0.100 . 1 . . . . 299 PRO C . 26702 1 196 . 1 1 272 272 PRO CA C 13 62.840 0.500 . 1 . . . . 299 PRO CA . 26702 1 197 . 1 1 272 272 PRO CB C 13 31.826 0.500 . 1 . . . . 299 PRO CB . 26702 1 198 . 1 1 273 273 ALA H H 1 8.319 0.007 . 1 . . . . 300 ALA H . 26702 1 199 . 1 1 273 273 ALA C C 13 177.676 0.100 . 1 . . . . 300 ALA C . 26702 1 200 . 1 1 273 273 ALA CA C 13 52.475 0.500 . 1 . . . . 300 ALA CA . 26702 1 201 . 1 1 273 273 ALA CB C 13 19.168 0.500 . 1 . . . . 300 ALA CB . 26702 1 202 . 1 1 273 273 ALA N N 15 124.155 0.120 . 1 . . . . 300 ALA N . 26702 1 203 . 1 1 274 274 GLU H H 1 8.482 0.007 . 1 . . . . 301 GLU H . 26702 1 204 . 1 1 274 274 GLU C C 13 177.424 0.100 . 1 . . . . 301 GLU C . 26702 1 205 . 1 1 274 274 GLU CA C 13 57.614 0.500 . 1 . . . . 301 GLU CA . 26702 1 206 . 1 1 274 274 GLU CB C 13 29.397 0.500 . 1 . . . . 301 GLU CB . 26702 1 207 . 1 1 274 274 GLU N N 15 118.540 0.120 . 1 . . . . 301 GLU N . 26702 1 208 . 1 1 302 302 TRP H H 1 7.797 0.007 . 1 . . . . 329 TRP H . 26702 1 209 . 1 1 302 302 TRP C C 13 175.707 0.100 . 1 . . . . 329 TRP C . 26702 1 210 . 1 1 302 302 TRP CA C 13 57.446 0.500 . 1 . . . . 329 TRP CA . 26702 1 211 . 1 1 302 302 TRP CB C 13 28.913 0.500 . 1 . . . . 329 TRP CB . 26702 1 212 . 1 1 302 302 TRP N N 15 121.692 0.120 . 1 . . . . 329 TRP N . 26702 1 213 . 1 1 303 303 LYS H H 1 7.527 0.007 . 1 . . . . 330 LYS H . 26702 1 214 . 1 1 303 303 LYS C C 13 175.379 0.100 . 1 . . . . 330 LYS C . 26702 1 215 . 1 1 303 303 LYS CA C 13 55.619 0.500 . 1 . . . . 330 LYS CA . 26702 1 216 . 1 1 303 303 LYS CB C 13 33.694 0.500 . 1 . . . . 330 LYS CB . 26702 1 217 . 1 1 303 303 LYS N N 15 122.414 0.120 . 1 . . . . 330 LYS N . 26702 1 218 . 1 1 305 305 PRO C C 13 176.839 0.100 . 1 . . . . 332 PRO C . 26702 1 219 . 1 1 305 305 PRO CA C 13 63.691 0.500 . 1 . . . . 332 PRO CA . 26702 1 220 . 1 1 305 305 PRO CB C 13 31.800 0.500 . 1 . . . . 332 PRO CB . 26702 1 221 . 1 1 306 306 ASP H H 1 8.344 0.007 . 1 . . . . 333 ASP H . 26702 1 222 . 1 1 306 306 ASP C C 13 175.687 0.100 . 1 . . . . 333 ASP C . 26702 1 223 . 1 1 306 306 ASP CA C 13 54.097 0.500 . 1 . . . . 333 ASP CA . 26702 1 224 . 1 1 306 306 ASP CB C 13 40.891 0.500 . 1 . . . . 333 ASP CB . 26702 1 225 . 1 1 306 306 ASP N N 15 118.331 0.120 . 1 . . . . 333 ASP N . 26702 1 226 . 1 1 307 307 TYR H H 1 7.710 0.007 . 1 . . . . 334 TYR H . 26702 1 227 . 1 1 307 307 TYR C C 13 174.772 0.100 . 1 . . . . 334 TYR C . 26702 1 228 . 1 1 307 307 TYR CA C 13 58.602 0.500 . 1 . . . . 334 TYR CA . 26702 1 229 . 1 1 307 307 TYR CB C 13 38.787 0.500 . 1 . . . . 334 TYR CB . 26702 1 230 . 1 1 307 307 TYR N N 15 121.219 0.120 . 1 . . . . 334 TYR N . 26702 1 231 . 1 1 308 308 VAL H H 1 7.656 0.007 . 1 . . . . 335 VAL H . 26702 1 232 . 1 1 308 308 VAL C C 13 172.700 0.100 . 1 . . . . 335 VAL C . 26702 1 233 . 1 1 308 308 VAL CA C 13 58.783 0.500 . 1 . . . . 335 VAL CA . 26702 1 234 . 1 1 308 308 VAL CB C 13 33.242 0.500 . 1 . . . . 335 VAL CB . 26702 1 235 . 1 1 308 308 VAL N N 15 128.301 0.120 . 1 . . . . 335 VAL N . 26702 1 236 . 1 1 356 356 SER C C 13 174.676 0.100 . 1 . . . . 383 SER C . 26702 1 237 . 1 1 356 356 SER CA C 13 58.393 0.500 . 1 . . . . 383 SER CA . 26702 1 238 . 1 1 356 356 SER CB C 13 63.705 0.500 . 1 . . . . 383 SER CB . 26702 1 239 . 1 1 357 357 GLU H H 1 8.477 0.007 . 1 . . . . 384 GLU H . 26702 1 240 . 1 1 357 357 GLU C C 13 176.664 0.100 . 1 . . . . 384 GLU C . 26702 1 241 . 1 1 357 357 GLU CA C 13 56.638 0.500 . 1 . . . . 384 GLU CA . 26702 1 242 . 1 1 357 357 GLU CB C 13 30.114 0.500 . 1 . . . . 384 GLU CB . 26702 1 243 . 1 1 357 357 GLU N N 15 122.748 0.120 . 1 . . . . 384 GLU N . 26702 1 244 . 1 1 358 358 SER H H 1 8.341 0.007 . 1 . . . . 385 SER H . 26702 1 245 . 1 1 358 358 SER C C 13 174.642 0.100 . 1 . . . . 385 SER C . 26702 1 246 . 1 1 358 358 SER CA C 13 58.524 0.500 . 1 . . . . 385 SER CA . 26702 1 247 . 1 1 358 358 SER CB C 13 63.660 0.500 . 1 . . . . 385 SER CB . 26702 1 248 . 1 1 358 358 SER N N 15 116.780 0.120 . 1 . . . . 385 SER N . 26702 1 249 . 1 1 359 359 SER H H 1 8.322 0.007 . 1 . . . . 386 SER H . 26702 1 250 . 1 1 359 359 SER C C 13 174.205 0.100 . 1 . . . . 386 SER C . 26702 1 251 . 1 1 359 359 SER CA C 13 58.225 0.500 . 1 . . . . 386 SER CA . 26702 1 252 . 1 1 359 359 SER CB C 13 63.683 0.500 . 1 . . . . 386 SER CB . 26702 1 253 . 1 1 359 359 SER N N 15 117.977 0.120 . 1 . . . . 386 SER N . 26702 1 254 . 1 1 360 360 ALA H H 1 8.273 0.007 . 1 . . . . 387 ALA H . 26702 1 255 . 1 1 360 360 ALA C C 13 177.757 0.100 . 1 . . . . 387 ALA C . 26702 1 256 . 1 1 360 360 ALA CA C 13 52.508 0.500 . 1 . . . . 387 ALA CA . 26702 1 257 . 1 1 360 360 ALA CB C 13 19.045 0.500 . 1 . . . . 387 ALA CB . 26702 1 258 . 1 1 360 360 ALA N N 15 126.152 0.120 . 1 . . . . 387 ALA N . 26702 1 259 . 1 1 361 361 VAL H H 1 8.046 0.007 . 1 . . . . 388 VAL H . 26702 1 260 . 1 1 361 361 VAL C C 13 175.996 0.100 . 1 . . . . 388 VAL C . 26702 1 261 . 1 1 361 361 VAL CA C 13 62.396 0.500 . 1 . . . . 388 VAL CA . 26702 1 262 . 1 1 361 361 VAL CB C 13 32.662 0.500 . 1 . . . . 388 VAL CB . 26702 1 263 . 1 1 361 361 VAL N N 15 118.905 0.120 . 1 . . . . 388 VAL N . 26702 1 264 . 1 1 362 362 ASP H H 1 8.357 0.007 . 1 . . . . 389 ASP H . 26702 1 265 . 1 1 362 362 ASP C C 13 176.407 0.100 . 1 . . . . 389 ASP C . 26702 1 266 . 1 1 362 362 ASP CA C 13 54.043 0.500 . 1 . . . . 389 ASP CA . 26702 1 267 . 1 1 362 362 ASP CB C 13 41.122 0.500 . 1 . . . . 389 ASP CB . 26702 1 268 . 1 1 362 362 ASP N N 15 123.902 0.120 . 1 . . . . 389 ASP N . 26702 1 269 . 1 1 363 363 SER H H 1 8.337 0.007 . 1 . . . . 390 SER H . 26702 1 270 . 1 1 363 363 SER C C 13 175.328 0.100 . 1 . . . . 390 SER C . 26702 1 271 . 1 1 363 363 SER CA C 13 58.821 0.500 . 1 . . . . 390 SER CA . 26702 1 272 . 1 1 363 363 SER CB C 13 63.559 0.500 . 1 . . . . 390 SER CB . 26702 1 273 . 1 1 363 363 SER N N 15 117.234 0.120 . 1 . . . . 390 SER N . 26702 1 274 . 1 1 364 364 GLY H H 1 8.512 0.007 . 1 . . . . 391 GLY H . 26702 1 275 . 1 1 364 364 GLY C C 13 174.458 0.100 . 1 . . . . 391 GLY C . 26702 1 276 . 1 1 364 364 GLY CA C 13 45.316 0.500 . 1 . . . . 391 GLY CA . 26702 1 277 . 1 1 364 364 GLY N N 15 110.884 0.500 . 1 . . . . 391 GLY N . 26702 1 278 . 1 1 365 365 THR H H 1 7.993 0.120 . 1 . . . . 392 THR H . 26702 1 279 . 1 1 365 365 THR C C 13 174.380 0.007 . 1 . . . . 392 THR C . 26702 1 280 . 1 1 365 365 THR CA C 13 61.888 0.100 . 1 . . . . 392 THR CA . 26702 1 281 . 1 1 365 365 THR CB C 13 69.709 0.500 . 1 . . . . 392 THR CB . 26702 1 282 . 1 1 365 365 THR N N 15 113.754 0.500 . 1 . . . . 392 THR N . 26702 1 283 . 1 1 366 366 ALA H H 1 8.333 0.120 . 1 . . . . 393 ALA H . 26702 1 284 . 1 1 366 366 ALA C C 13 177.782 0.007 . 1 . . . . 393 ALA C . 26702 1 285 . 1 1 366 366 ALA CA C 13 52.513 0.100 . 1 . . . . 393 ALA CA . 26702 1 286 . 1 1 366 366 ALA CB C 13 19.057 0.500 . 1 . . . . 393 ALA CB . 26702 1 287 . 1 1 366 366 ALA N N 15 126.802 0.500 . 1 . . . . 393 ALA N . 26702 1 288 . 1 1 367 367 THR H H 1 8.099 0.120 . 1 . . . . 394 THR H . 26702 1 289 . 1 1 367 367 THR C C 13 174.073 0.007 . 1 . . . . 394 THR C . 26702 1 290 . 1 1 367 367 THR CA C 13 61.504 0.100 . 1 . . . . 394 THR CA . 26702 1 291 . 1 1 367 367 THR CB C 13 69.672 0.500 . 1 . . . . 394 THR CB . 26702 1 292 . 1 1 367 367 THR N N 15 113.829 0.500 . 1 . . . . 394 THR N . 26702 1 293 . 1 1 368 368 ALA H H 1 8.268 0.120 . 1 . . . . 395 ALA H . 26702 1 294 . 1 1 368 368 ALA C C 13 177.352 0.007 . 1 . . . . 395 ALA C . 26702 1 295 . 1 1 368 368 ALA CA C 13 52.117 0.100 . 1 . . . . 395 ALA CA . 26702 1 296 . 1 1 368 368 ALA CB C 13 19.282 0.500 . 1 . . . . 395 ALA CB . 26702 1 297 . 1 1 368 368 ALA N N 15 126.878 0.500 . 1 . . . . 395 ALA N . 26702 1 298 . 1 1 369 369 SER H H 1 8.375 0.120 . 1 . . . . 396 SER H . 26702 1 299 . 1 1 369 369 SER C C 13 173.050 0.007 . 1 . . . . 396 SER C . 26702 1 300 . 1 1 369 369 SER CA C 13 56.157 0.100 . 1 . . . . 396 SER CA . 26702 1 301 . 1 1 369 369 SER CB C 13 63.298 0.500 . 1 . . . . 396 SER CB . 26702 1 302 . 1 1 369 369 SER N N 15 117.061 0.500 . 1 . . . . 396 SER N . 26702 1 303 . 1 1 370 370 PRO C C 13 176.541 0.100 . 1 . . . . 397 PRO C . 26702 1 304 . 1 1 370 370 PRO CA C 13 63.266 0.500 . 1 . . . . 397 PRO CA . 26702 1 305 . 1 1 370 370 PRO CB C 13 31.878 0.500 . 1 . . . . 397 PRO CB . 26702 1 306 . 1 1 371 371 ASP H H 1 8.291 0.007 . 1 . . . . 398 ASP H . 26702 1 307 . 1 1 371 371 ASP C C 13 175.722 0.100 . 1 . . . . 398 ASP C . 26702 1 308 . 1 1 371 371 ASP CA C 13 54.279 0.500 . 1 . . . . 398 ASP CA . 26702 1 309 . 1 1 371 371 ASP CB C 13 40.937 0.500 . 1 . . . . 398 ASP CB . 26702 1 310 . 1 1 371 371 ASP N N 15 119.910 0.120 . 1 . . . . 398 ASP N . 26702 1 311 . 1 1 372 372 GLN H H 1 8.123 0.007 . 1 . . . . 399 GLN H . 26702 1 312 . 1 1 372 372 GLN C C 13 173.756 0.100 . 1 . . . . 399 GLN C . 26702 1 313 . 1 1 372 372 GLN CA C 13 53.398 0.500 . 1 . . . . 399 GLN CA . 26702 1 314 . 1 1 372 372 GLN CB C 13 28.944 0.500 . 1 . . . . 399 GLN CB . 26702 1 315 . 1 1 372 372 GLN N N 15 121.072 0.120 . 1 . . . . 399 GLN N . 26702 1 316 . 1 1 373 373 PRO C C 13 176.898 0.100 . 1 . . . . 400 PRO C . 26702 1 317 . 1 1 373 373 PRO CA C 13 62.758 0.500 . 1 . . . . 400 PRO CA . 26702 1 318 . 1 1 373 373 PRO CB C 13 31.932 0.500 . 1 . . . . 400 PRO CB . 26702 1 319 . 1 1 374 374 SER H H 1 8.475 0.007 . 1 . . . . 401 SER H . 26702 1 320 . 1 1 374 374 SER C C 13 174.316 0.100 . 1 . . . . 401 SER C . 26702 1 321 . 1 1 374 374 SER CA C 13 58.077 0.500 . 1 . . . . 401 SER CA . 26702 1 322 . 1 1 374 374 SER CB C 13 63.885 0.500 . 1 . . . . 401 SER CB . 26702 1 323 . 1 1 374 374 SER N N 15 116.487 0.120 . 1 . . . . 401 SER N . 26702 1 324 . 1 1 375 375 ASP H H 1 8.418 0.007 . 1 . . . . 402 ASP H . 26702 1 325 . 1 1 375 375 ASP C C 13 175.954 0.100 . 1 . . . . 402 ASP C . 26702 1 326 . 1 1 375 375 ASP CA C 13 54.239 0.500 . 1 . . . . 402 ASP CA . 26702 1 327 . 1 1 375 375 ASP CB C 13 41.336 0.500 . 1 . . . . 402 ASP CB . 26702 1 328 . 1 1 375 375 ASP N N 15 122.841 0.120 . 1 . . . . 402 ASP N . 26702 1 329 . 1 1 376 376 ASP H H 1 8.305 0.007 . 1 . . . . 403 ASP H . 26702 1 330 . 1 1 376 376 ASP C C 13 176.881 0.100 . 1 . . . . 403 ASP C . 26702 1 331 . 1 1 376 376 ASP CA C 13 54.714 0.500 . 1 . . . . 403 ASP CA . 26702 1 332 . 1 1 376 376 ASP CB C 13 40.933 0.500 . 1 . . . . 403 ASP CB . 26702 1 333 . 1 1 376 376 ASP N N 15 121.012 0.120 . 1 . . . . 403 ASP N . 26702 1 334 . 1 1 377 377 GLY H H 1 8.353 0.007 . 1 . . . . 404 GLY H . 26702 1 335 . 1 1 377 377 GLY C C 13 173.989 0.100 . 1 . . . . 404 GLY C . 26702 1 336 . 1 1 377 377 GLY CA C 13 45.226 0.500 . 1 . . . . 404 GLY CA . 26702 1 337 . 1 1 377 377 GLY N N 15 109.193 0.120 . 1 . . . . 404 GLY N . 26702 1 338 . 1 1 378 378 ASP H H 1 8.211 0.007 . 1 . . . . 405 ASP H . 26702 1 339 . 1 1 378 378 ASP C C 13 175.987 0.100 . 1 . . . . 405 ASP C . 26702 1 340 . 1 1 378 378 ASP CA C 13 54.014 0.500 . 1 . . . . 405 ASP CA . 26702 1 341 . 1 1 378 378 ASP CB C 13 41.369 0.500 . 1 . . . . 405 ASP CB . 26702 1 342 . 1 1 378 378 ASP N N 15 120.591 0.120 . 1 . . . . 405 ASP N . 26702 1 343 . 1 1 379 379 ALA H H 1 8.280 0.007 . 1 . . . . 406 ALA H . 26702 1 344 . 1 1 379 379 ALA C C 13 178.120 0.100 . 1 . . . . 406 ALA C . 26702 1 345 . 1 1 379 379 ALA CA C 13 52.542 0.500 . 1 . . . . 406 ALA CA . 26702 1 346 . 1 1 379 379 ALA CB C 13 19.265 0.500 . 1 . . . . 406 ALA CB . 26702 1 347 . 1 1 379 379 ALA N N 15 124.851 0.120 . 1 . . . . 406 ALA N . 26702 1 348 . 1 1 380 380 GLY H H 1 8.320 0.007 . 1 . . . . 407 GLY H . 26702 1 349 . 1 1 380 380 GLY C C 13 174.224 0.100 . 1 . . . . 407 GLY C . 26702 1 350 . 1 1 380 380 GLY CA C 13 44.911 0.500 . 1 . . . . 407 GLY CA . 26702 1 351 . 1 1 380 380 GLY N N 15 108.274 0.120 . 1 . . . . 407 GLY N . 26702 1 352 . 1 1 381 381 SEP H H 1 8.798 0.007 . 1 . . . . 408 SEP H . 26702 1 353 . 1 1 381 381 SEP C C 13 174.141 0.100 . 1 . . . . 408 SEP C . 26702 1 354 . 1 1 381 381 SEP CA C 13 57.690 0.500 . 1 . . . . 408 SEP CA . 26702 1 355 . 1 1 381 381 SEP CB C 13 65.848 0.500 . 1 . . . . 408 SEP CB . 26702 1 356 . 1 1 381 381 SEP N N 15 117.002 0.120 . 1 . . . . 408 SEP N . 26702 1 357 . 1 1 382 382 ASP H H 1 8.515 0.007 . 1 . . . . 409 ASP H . 26702 1 358 . 1 1 382 382 ASP C C 13 175.896 0.100 . 1 . . . . 409 ASP C . 26702 1 359 . 1 1 382 382 ASP CA C 13 54.248 0.500 . 1 . . . . 409 ASP CA . 26702 1 360 . 1 1 382 382 ASP CB C 13 40.927 0.500 . 1 . . . . 409 ASP CB . 26702 1 361 . 1 1 382 382 ASP N N 15 122.553 0.120 . 1 . . . . 409 ASP N . 26702 1 362 . 1 1 383 383 VAL H H 1 8.029 0.007 . 1 . . . . 410 VAL H . 26702 1 363 . 1 1 383 383 VAL C C 13 176.018 0.100 . 1 . . . . 410 VAL C . 26702 1 364 . 1 1 383 383 VAL CA C 13 61.827 0.500 . 1 . . . . 410 VAL CA . 26702 1 365 . 1 1 383 383 VAL CB C 13 32.780 0.500 . 1 . . . . 410 VAL CB . 26702 1 366 . 1 1 383 383 VAL N N 15 120.100 0.120 . 1 . . . . 410 VAL N . 26702 1 367 . 1 1 384 384 GLU H H 1 8.404 0.007 . 1 . . . . 411 GLU H . 26702 1 368 . 1 1 384 384 GLU C C 13 176.092 0.100 . 1 . . . . 411 GLU C . 26702 1 369 . 1 1 384 384 GLU CA C 13 56.084 0.500 . 1 . . . . 411 GLU CA . 26702 1 370 . 1 1 384 384 GLU CB C 13 30.506 0.500 . 1 . . . . 411 GLU CB . 26702 1 371 . 1 1 384 384 GLU N N 15 125.191 0.120 . 1 . . . . 411 GLU N . 26702 1 372 . 1 1 385 385 SEP H H 1 8.696 0.007 . 1 . . . . 412 SEP H . 26702 1 373 . 1 1 385 385 SEP C C 13 173.919 0.100 . 1 . . . . 412 SEP C . 26702 1 374 . 1 1 385 385 SEP CA C 13 57.270 0.500 . 1 . . . . 412 SEP CA . 26702 1 375 . 1 1 385 385 SEP CB C 13 65.883 0.500 . 1 . . . . 412 SEP CB . 26702 1 376 . 1 1 385 385 SEP N N 15 118.315 0.120 . 1 . . . . 412 SEP N . 26702 1 377 . 1 1 386 386 TYR H H 1 8.448 0.007 . 1 . . . . 413 TYR H . 26702 1 378 . 1 1 386 386 TYR C C 13 175.495 0.100 . 1 . . . . 413 TYR C . 26702 1 379 . 1 1 386 386 TYR CA C 13 58.181 0.500 . 1 . . . . 413 TYR CA . 26702 1 380 . 1 1 386 386 TYR CB C 13 38.808 0.500 . 1 . . . . 413 TYR CB . 26702 1 381 . 1 1 386 386 TYR N N 15 123.226 0.120 . 1 . . . . 413 TYR N . 26702 1 382 . 1 1 387 387 SER H H 1 7.950 0.007 . 1 . . . . 414 SER H . 26702 1 383 . 1 1 387 387 SER C C 13 173.919 0.100 . 1 . . . . 414 SER C . 26702 1 384 . 1 1 387 387 SER CA C 13 57.938 0.500 . 1 . . . . 414 SER CA . 26702 1 385 . 1 1 387 387 SER CB C 13 64.117 0.500 . 1 . . . . 414 SER CB . 26702 1 386 . 1 1 387 387 SER N N 15 118.912 0.120 . 1 . . . . 414 SER N . 26702 1 387 . 1 1 388 388 SEP H H 1 8.762 0.007 . 1 . . . . 415 SEP H . 26702 1 388 . 1 1 388 388 SEP C C 13 174.012 0.100 . 1 . . . . 415 SEP C . 26702 1 389 . 1 1 388 388 SEP CA C 13 57.479 0.500 . 1 . . . . 415 SEP CA . 26702 1 390 . 1 1 388 388 SEP CB C 13 65.745 0.500 . 1 . . . . 415 SEP CB . 26702 1 391 . 1 1 388 388 SEP N N 15 119.499 0.120 . 1 . . . . 415 SEP N . 26702 1 392 . 1 1 389 389 MET H H 1 8.357 0.007 . 1 . . . . 416 MET H . 26702 1 393 . 1 1 389 389 MET C C 13 173.681 0.100 . 1 . . . . 416 MET C . 26702 1 394 . 1 1 389 389 MET CA C 13 53.800 0.500 . 1 . . . . 416 MET CA . 26702 1 395 . 1 1 389 389 MET CB C 13 32.371 0.500 . 1 . . . . 416 MET CB . 26702 1 396 . 1 1 389 389 MET N N 15 123.667 0.120 . 1 . . . . 416 MET N . 26702 1 397 . 1 1 391 391 PRO C C 13 176.883 0.100 . 1 . . . . 418 PRO C . 26702 1 398 . 1 1 391 391 PRO CA C 13 62.404 0.500 . 1 . . . . 418 PRO CA . 26702 1 399 . 1 1 391 391 PRO CB C 13 31.770 0.500 . 1 . . . . 418 PRO CB . 26702 1 400 . 1 1 392 392 LEU H H 1 8.319 0.007 . 1 . . . . 419 LEU H . 26702 1 401 . 1 1 392 392 LEU C C 13 177.455 0.100 . 1 . . . . 419 LEU C . 26702 1 402 . 1 1 392 392 LEU CA C 13 55.096 0.500 . 1 . . . . 419 LEU CA . 26702 1 403 . 1 1 392 392 LEU CB C 13 42.234 0.500 . 1 . . . . 419 LEU CB . 26702 1 404 . 1 1 392 392 LEU N N 15 122.858 0.120 . 1 . . . . 419 LEU N . 26702 1 405 . 1 1 393 393 GLU H H 1 8.411 0.007 . 1 . . . . 420 GLU H . 26702 1 406 . 1 1 393 393 GLU C C 13 176.641 0.100 . 1 . . . . 420 GLU C . 26702 1 407 . 1 1 393 393 GLU CA C 13 56.333 0.500 . 1 . . . . 420 GLU CA . 26702 1 408 . 1 1 393 393 GLU CB C 13 30.174 0.500 . 1 . . . . 420 GLU CB . 26702 1 409 . 1 1 393 393 GLU N N 15 122.104 0.120 . 1 . . . . 420 GLU N . 26702 1 410 . 1 1 394 394 GLY H H 1 8.313 0.007 . 1 . . . . 421 GLY H . 26702 1 411 . 1 1 394 394 GLY C C 13 173.522 0.100 . 1 . . . . 421 GLY C . 26702 1 412 . 1 1 394 394 GLY CA C 13 44.800 0.500 . 1 . . . . 421 GLY CA . 26702 1 413 . 1 1 394 394 GLY N N 15 110.065 0.500 . 1 . . . . 421 GLY N . 26702 1 414 . 1 1 395 395 GLU H H 1 8.274 0.120 . 1 . . . . 422 GLU H . 26702 1 415 . 1 1 395 395 GLU C C 13 174.850 0.007 . 1 . . . . 422 GLU C . 26702 1 416 . 1 1 395 395 GLU CA C 13 54.057 0.100 . 1 . . . . 422 GLU CA . 26702 1 417 . 1 1 395 395 GLU CB C 13 29.662 0.500 . 1 . . . . 422 GLU CB . 26702 1 418 . 1 1 395 395 GLU N N 15 121.645 0.500 . 1 . . . . 422 GLU N . 26702 1 419 . 1 1 396 396 PRO C C 13 177.428 0.120 . 1 . . . . 423 PRO C . 26702 1 420 . 1 1 396 396 PRO CA C 13 63.300 0.500 . 1 . . . . 423 PRO CA . 26702 1 421 . 1 1 396 396 PRO CB C 13 31.896 0.500 . 1 . . . . 423 PRO CB . 26702 1 422 . 1 1 397 397 GLY H H 1 8.371 0.007 . 1 . . . . 424 GLY H . 26702 1 423 . 1 1 397 397 GLY C C 13 173.438 0.100 . 1 . . . . 424 GLY C . 26702 1 424 . 1 1 397 397 GLY CA C 13 44.694 0.500 . 1 . . . . 424 GLY CA . 26702 1 425 . 1 1 397 397 GLY N N 15 109.080 0.120 . 1 . . . . 424 GLY N . 26702 1 426 . 1 1 398 398 ASP H H 1 8.181 0.007 . 1 . . . . 425 ASP H . 26702 1 427 . 1 1 398 398 ASP C C 13 174.869 0.100 . 1 . . . . 425 ASP C . 26702 1 428 . 1 1 398 398 ASP CA C 13 52.497 0.500 . 1 . . . . 425 ASP CA . 26702 1 429 . 1 1 398 398 ASP CB C 13 40.845 0.500 . 1 . . . . 425 ASP CB . 26702 1 430 . 1 1 398 398 ASP N N 15 121.815 0.120 . 1 . . . . 425 ASP N . 26702 1 431 . 1 1 399 399 PRO C C 13 176.603 0.100 . 1 . . . . 426 PRO C . 26702 1 432 . 1 1 399 399 PRO CA C 13 63.359 0.500 . 1 . . . . 426 PRO CA . 26702 1 433 . 1 1 399 399 PRO CB C 13 31.936 0.500 . 1 . . . . 426 PRO CB . 26702 1 434 . 1 1 400 400 ASP H H 1 8.415 0.007 . 1 . . . . 427 ASP H . 26702 1 435 . 1 1 400 400 ASP C C 13 176.019 0.100 . 1 . . . . 427 ASP C . 26702 1 436 . 1 1 400 400 ASP CA C 13 54.224 0.500 . 1 . . . . 427 ASP CA . 26702 1 437 . 1 1 400 400 ASP CB C 13 40.821 0.500 . 1 . . . . 427 ASP CB . 26702 1 438 . 1 1 400 400 ASP N N 15 120.323 0.120 . 1 . . . . 427 ASP N . 26702 1 439 . 1 1 401 401 LEU H H 1 8.019 0.007 . 1 . . . . 428 LEU H . 26702 1 440 . 1 1 401 401 LEU C C 13 177.448 0.100 . 1 . . . . 428 LEU C . 26702 1 441 . 1 1 401 401 LEU CA C 13 54.760 0.500 . 1 . . . . 428 LEU CA . 26702 1 442 . 1 1 401 401 LEU CB C 13 42.657 0.500 . 1 . . . . 428 LEU CB . 26702 1 443 . 1 1 401 401 LEU N N 15 122.569 0.120 . 1 . . . . 428 LEU N . 26702 1 444 . 1 1 402 402 SEP H H 1 8.652 0.007 . 1 . . . . 429 SEP H . 26702 1 445 . 1 1 402 402 SEP C C 13 174.152 0.100 . 1 . . . . 429 SEP C . 26702 1 446 . 1 1 402 402 SEP CA C 13 57.318 0.500 . 1 . . . . 429 SEP CA . 26702 1 447 . 1 1 402 402 SEP CB C 13 65.844 0.500 . 1 . . . . 429 SEP CB . 26702 1 448 . 1 1 402 402 SEP N N 15 118.014 0.120 . 1 . . . . 429 SEP N . 26702 1 449 . 1 1 403 403 ASP H H 1 8.474 0.007 . 1 . . . . 430 ASP H . 26702 1 450 . 1 1 403 403 ASP C C 13 176.552 0.100 . 1 . . . . 430 ASP C . 26702 1 451 . 1 1 403 403 ASP CA C 13 54.301 0.500 . 1 . . . . 430 ASP CA . 26702 1 452 . 1 1 403 403 ASP CB C 13 41.361 0.500 . 1 . . . . 430 ASP CB . 26702 1 453 . 1 1 403 403 ASP N N 15 122.913 0.120 . 1 . . . . 430 ASP N . 26702 1 454 . 1 1 404 404 GLY H H 1 8.141 0.007 . 1 . . . . 431 GLY H . 26702 1 455 . 1 1 404 404 GLY C C 13 173.773 0.100 . 1 . . . . 431 GLY C . 26702 1 456 . 1 1 404 404 GLY CA C 13 45.221 0.500 . 1 . . . . 431 GLY CA . 26702 1 457 . 1 1 404 404 GLY N N 15 109.060 0.120 . 1 . . . . 431 GLY N . 26702 1 458 . 1 1 405 405 SEP H H 1 8.401 0.007 . 1 . . . . 432 SEP H . 26702 1 459 . 1 1 405 405 SEP C C 13 173.741 0.100 . 1 . . . . 432 SEP C . 26702 1 460 . 1 1 405 405 SEP CA C 13 56.873 0.500 . 1 . . . . 432 SEP CA . 26702 1 461 . 1 1 405 405 SEP CB C 13 65.948 0.500 . 1 . . . . 432 SEP CB . 26702 1 462 . 1 1 405 405 SEP N N 15 116.311 0.120 . 1 . . . . 432 SEP N . 26702 1 463 . 1 1 406 406 TRP H H 1 8.155 0.007 . 1 . . . . 433 TRP H . 26702 1 464 . 1 1 406 406 TRP C C 13 175.909 0.100 . 1 . . . . 433 TRP C . 26702 1 465 . 1 1 406 406 TRP CA C 13 56.702 0.500 . 1 . . . . 433 TRP CA . 26702 1 466 . 1 1 406 406 TRP CB C 13 29.920 0.500 . 1 . . . . 433 TRP CB . 26702 1 467 . 1 1 406 406 TRP N N 15 123.090 0.120 . 1 . . . . 433 TRP N . 26702 1 468 . 1 1 407 407 SEP H H 1 8.588 0.007 . 1 . . . . 434 SEP H . 26702 1 469 . 1 1 407 407 SEP C C 13 173.625 0.100 . 1 . . . . 434 SEP C . 26702 1 470 . 1 1 407 407 SEP CA C 13 57.242 0.500 . 1 . . . . 434 SEP CA . 26702 1 471 . 1 1 407 407 SEP CB C 13 66.260 0.500 . 1 . . . . 434 SEP CB . 26702 1 472 . 1 1 407 407 SEP N N 15 118.966 0.120 . 1 . . . . 434 SEP N . 26702 1 473 . 1 1 408 408 TPO H H 1 8.897 0.007 . 1 . . . . 435 TPO H . 26702 1 474 . 1 1 408 408 TPO C C 13 173.732 0.100 . 1 . . . . 435 TPO C . 26702 1 475 . 1 1 408 408 TPO CA C 13 62.292 0.500 . 1 . . . . 435 TPO CA . 26702 1 476 . 1 1 408 408 TPO CB C 13 72.250 0.500 . 1 . . . . 435 TPO CB . 26702 1 477 . 1 1 408 408 TPO N N 15 119.916 0.120 . 1 . . . . 435 TPO N . 26702 1 478 . 1 1 409 409 VAL H H 1 8.356 0.007 . 1 . . . . 436 VAL H . 26702 1 479 . 1 1 409 409 VAL C C 13 175.960 0.100 . 1 . . . . 436 VAL C . 26702 1 480 . 1 1 409 409 VAL CA C 13 61.597 0.500 . 1 . . . . 436 VAL CA . 26702 1 481 . 1 1 409 409 VAL CB C 13 33.236 0.500 . 1 . . . . 436 VAL CB . 26702 1 482 . 1 1 409 409 VAL N N 15 124.783 0.120 . 1 . . . . 436 VAL N . 26702 1 483 . 1 1 410 410 SEP H H 1 8.829 0.007 . 1 . . . . 437 SEP H . 26702 1 484 . 1 1 410 410 SEP C C 13 174.149 0.100 . 1 . . . . 437 SEP C . 26702 1 485 . 1 1 410 410 SEP CA C 13 57.603 0.500 . 1 . . . . 437 SEP CA . 26702 1 486 . 1 1 410 410 SEP CB C 13 65.866 0.500 . 1 . . . . 437 SEP CB . 26702 1 487 . 1 1 410 410 SEP N N 15 121.569 0.120 . 1 . . . . 437 SEP N . 26702 1 488 . 1 1 411 411 GLU H H 1 8.470 0.007 . 1 . . . . 438 GLU H . 26702 1 489 . 1 1 411 411 GLU C C 13 176.158 0.100 . 1 . . . . 438 GLU C . 26702 1 490 . 1 1 411 411 GLU CA C 13 56.301 0.500 . 1 . . . . 438 GLU CA . 26702 1 491 . 1 1 411 411 GLU CB C 13 30.473 0.500 . 1 . . . . 438 GLU CB . 26702 1 492 . 1 1 411 411 GLU N N 15 123.393 0.120 . 1 . . . . 438 GLU N . 26702 1 493 . 1 1 412 412 GLU H H 1 8.487 0.007 . 1 . . . . 439 GLU H . 26702 1 494 . 1 1 412 412 GLU C C 13 176.137 0.100 . 1 . . . . 439 GLU C . 26702 1 495 . 1 1 412 412 GLU CA C 13 56.606 0.500 . 1 . . . . 439 GLU CA . 26702 1 496 . 1 1 412 412 GLU CB C 13 30.230 0.500 . 1 . . . . 439 GLU CB . 26702 1 497 . 1 1 412 412 GLU N N 15 123.211 0.120 . 1 . . . . 439 GLU N . 26702 1 498 . 1 1 413 413 ALA H H 1 8.428 0.007 . 1 . . . . 440 ALA H . 26702 1 499 . 1 1 413 413 ALA C C 13 177.643 0.100 . 1 . . . . 440 ALA C . 26702 1 500 . 1 1 413 413 ALA CA C 13 52.200 0.500 . 1 . . . . 440 ALA CA . 26702 1 501 . 1 1 413 413 ALA CB C 13 19.307 0.500 . 1 . . . . 440 ALA CB . 26702 1 502 . 1 1 413 413 ALA N N 15 126.409 0.120 . 1 . . . . 440 ALA N . 26702 1 503 . 1 1 414 414 SER H H 1 8.348 0.007 . 1 . . . . 441 SER H . 26702 1 504 . 1 1 414 414 SER C C 13 177.606 0.100 . 1 . . . . 441 SER C . 26702 1 505 . 1 1 414 414 SER CA C 13 58.149 0.500 . 1 . . . . 441 SER CA . 26702 1 506 . 1 1 414 414 SER CB C 13 63.785 0.500 . 1 . . . . 441 SER CB . 26702 1 507 . 1 1 414 414 SER N N 15 116.072 0.120 . 1 . . . . 441 SER N . 26702 1 508 . 1 1 415 415 GLU H H 1 8.507 0.007 . 1 . . . . 442 GLU H . 26702 1 509 . 1 1 415 415 GLU C C 13 175.900 0.100 . 1 . . . . 442 GLU C . 26702 1 510 . 1 1 415 415 GLU CA C 13 56.454 0.500 . 1 . . . . 442 GLU CA . 26702 1 511 . 1 1 415 415 GLU CB C 13 30.200 0.500 . 1 . . . . 442 GLU CB . 26702 1 512 . 1 1 415 415 GLU N N 15 122.870 0.120 . 1 . . . . 442 GLU N . 26702 1 513 . 1 1 416 416 ASP H H 1 8.352 0.007 . 1 . . . . 443 ASP H . 26702 1 514 . 1 1 416 416 ASP C C 13 175.981 0.100 . 1 . . . . 443 ASP C . 26702 1 515 . 1 1 416 416 ASP CA C 13 54.322 0.500 . 1 . . . . 443 ASP CA . 26702 1 516 . 1 1 416 416 ASP CB C 13 41.006 0.500 . 1 . . . . 443 ASP CB . 26702 1 517 . 1 1 416 416 ASP N N 15 121.545 0.120 . 1 . . . . 443 ASP N . 26702 1 518 . 1 1 417 417 VAL H H 1 8.077 0.007 . 1 . . . . 444 VAL H . 26702 1 519 . 1 1 417 417 VAL C C 13 175.942 0.100 . 1 . . . . 444 VAL C . 26702 1 520 . 1 1 417 417 VAL CA C 13 62.090 0.500 . 1 . . . . 444 VAL CA . 26702 1 521 . 1 1 417 417 VAL CB C 13 32.430 0.500 . 1 . . . . 444 VAL CB . 26702 1 522 . 1 1 417 417 VAL N N 15 120.504 0.120 . 1 . . . . 444 VAL N . 26702 1 523 . 1 1 418 418 VAL H H 1 8.220 0.007 . 1 . . . . 445 VAL H . 26702 1 524 . 1 1 418 418 VAL C C 13 175.002 0.100 . 1 . . . . 445 VAL C . 26702 1 525 . 1 1 418 418 VAL CA C 13 62.029 0.500 . 1 . . . . 445 VAL CA . 26702 1 526 . 1 1 418 418 VAL CB C 13 32.421 0.500 . 1 . . . . 445 VAL CB . 26702 1 527 . 1 1 418 418 VAL N N 15 124.186 0.120 . 1 . . . . 445 VAL N . 26702 1 528 . 1 1 422 422 ALA C C 13 177.340 0.100 . 1 . . . . 449 ALA C . 26702 1 529 . 1 1 422 422 ALA CA C 13 52.557 0.500 . 1 . . . . 449 ALA CA . 26702 1 530 . 1 1 422 422 ALA CB C 13 18.800 0.500 . 1 . . . . 449 ALA CB . 26702 1 531 . 1 1 423 423 TRP H H 1 7.874 0.007 . 1 . . . . 450 TRP H . 26702 1 532 . 1 1 423 423 TRP C C 13 175.981 0.100 . 1 . . . . 450 TRP C . 26702 1 533 . 1 1 423 423 TRP CA C 13 57.166 0.500 . 1 . . . . 450 TRP CA . 26702 1 534 . 1 1 423 423 TRP CB C 13 29.366 0.500 . 1 . . . . 450 TRP CB . 26702 1 535 . 1 1 423 423 TRP N N 15 118.731 0.120 . 1 . . . . 450 TRP N . 26702 1 536 . 1 1 424 424 SER H H 1 7.821 0.007 . 1 . . . . 451 SER H . 26702 1 537 . 1 1 424 424 SER C C 13 175.981 0.100 . 1 . . . . 451 SER C . 26702 1 538 . 1 1 424 424 SER CA C 13 57.803 0.500 . 1 . . . . 451 SER CA . 26702 1 539 . 1 1 424 424 SER CB C 13 63.697 0.500 . 1 . . . . 451 SER CB . 26702 1 540 . 1 1 424 424 SER N N 15 116.804 0.120 . 1 . . . . 451 SER N . 26702 1 541 . 1 1 425 425 HIS H H 1 8.197 0.007 . 1 . . . . 452 HIS H . 26702 1 542 . 1 1 425 425 HIS C C 13 175.415 0.100 . 1 . . . . 452 HIS C . 26702 1 543 . 1 1 425 425 HIS CA C 13 50.857 0.500 . 1 . . . . 452 HIS CA . 26702 1 544 . 1 1 425 425 HIS CB C 13 32.945 0.500 . 1 . . . . 452 HIS CB . 26702 1 545 . 1 1 425 425 HIS N N 15 126.869 0.120 . 1 . . . . 452 HIS N . 26702 1 546 . 1 1 426 426 PRO C C 13 176.787 0.100 . 1 . . . . 453 PRO C . 26702 1 547 . 1 1 426 426 PRO CA C 13 63.296 0.500 . 1 . . . . 453 PRO CA . 26702 1 548 . 1 1 426 426 PRO CB C 13 31.875 0.500 . 1 . . . . 453 PRO CB . 26702 1 549 . 1 1 427 427 GLN H H 1 8.637 0.007 . 1 . . . . 454 GLN H . 26702 1 550 . 1 1 427 427 GLN C C 13 175.559 0.100 . 1 . . . . 454 GLN C . 26702 1 551 . 1 1 427 427 GLN CA C 13 55.864 0.500 . 1 . . . . 454 GLN CA . 26702 1 552 . 1 1 427 427 GLN CB C 13 29.246 0.500 . 1 . . . . 454 GLN CB . 26702 1 553 . 1 1 427 427 GLN N N 15 120.486 0.120 . 1 . . . . 454 GLN N . 26702 1 554 . 1 1 428 428 PHE H H 1 8.126 0.007 . 1 . . . . 455 PHE H . 26702 1 555 . 1 1 428 428 PHE C C 13 175.397 0.100 . 1 . . . . 455 PHE C . 26702 1 556 . 1 1 428 428 PHE CA C 13 57.299 0.500 . 1 . . . . 455 PHE CA . 26702 1 557 . 1 1 428 428 PHE CB C 13 39.586 0.500 . 1 . . . . 455 PHE CB . 26702 1 558 . 1 1 428 428 PHE N N 15 120.476 0.120 . 1 . . . . 455 PHE N . 26702 1 559 . 1 1 429 429 GLU H H 1 8.274 0.007 . 1 . . . . 456 GLU H . 26702 1 560 . 1 1 429 429 GLU C C 13 175.112 0.100 . 1 . . . . 456 GLU C . 26702 1 561 . 1 1 429 429 GLU CA C 13 56.385 0.500 . 1 . . . . 456 GLU CA . 26702 1 562 . 1 1 429 429 GLU CB C 13 30.237 0.500 . 1 . . . . 456 GLU CB . 26702 1 563 . 1 1 429 429 GLU N N 15 122.719 0.120 . 1 . . . . 456 GLU N . 26702 1 564 . 1 1 430 430 LYS H H 1 7.876 0.007 . 1 . . . . 457 LYS H . 26702 1 565 . 1 1 430 430 LYS C C 13 171.179 0.100 . 1 . . . . 457 LYS C . 26702 1 566 . 1 1 430 430 LYS CA C 13 57.644 0.500 . 1 . . . . 457 LYS CA . 26702 1 567 . 1 1 430 430 LYS CB C 13 33.601 0.500 . 1 . . . . 457 LYS CB . 26702 1 568 . 1 1 430 430 LYS N N 15 127.362 0.120 . 1 . . . . 457 LYS N . 26702 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26702 _Assigned_chem_shift_list.ID 2 _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 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer1. ; _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' . . . 26702 2 2 '3D HNCACB' . . . 26702 2 3 '3D HN(CO)CACB' . . . 26702 2 4 '3D HNCO' . . . 26702 2 5 '3D HN(CA)CO' . . . 26702 2 6 '3D HN(CA)NNH' . . . 26702 2 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 . 2 2 371 371 ASP H H 1 8.297 0.007 . 1 . . . . 398 ASP H . 26702 2 2 . 2 2 371 371 ASP C C 13 175.709 0.100 . 1 . . . . 398 ASP C . 26702 2 3 . 2 2 371 371 ASP CA C 13 54.294 0.500 . 1 . . . . 398 ASP CA . 26702 2 4 . 2 2 371 371 ASP CB C 13 40.897 0.500 . 1 . . . . 398 ASP CB . 26702 2 5 . 2 2 371 371 ASP N N 15 120.147 0.120 . 1 . . . . 398 ASP N . 26702 2 6 . 2 2 372 372 GLN H H 1 8.167 0.007 . 1 . . . . 399 GLN H . 26702 2 7 . 2 2 372 372 GLN C C 13 173.632 0.100 . 1 . . . . 399 GLN C . 26702 2 8 . 2 2 372 372 GLN CA C 13 53.412 0.500 . 1 . . . . 399 GLN CA . 26702 2 9 . 2 2 372 372 GLN CB C 13 29.107 0.500 . 1 . . . . 399 GLN CB . 26702 2 10 . 2 2 372 372 GLN N N 15 121.174 0.120 . 1 . . . . 399 GLN N . 26702 2 11 . 2 2 373 373 PRO C C 13 177.064 0.100 . 1 . . . . 400 PRO C . 26702 2 12 . 2 2 373 373 PRO CA C 13 62.827 0.500 . 1 . . . . 400 PRO CA . 26702 2 13 . 2 2 373 373 PRO CB C 13 32.017 0.500 . 1 . . . . 400 PRO CB . 26702 2 14 . 2 2 374 374 SEP H H 1 9.033 0.007 . 1 . . . . 401 SEP H . 26702 2 15 . 2 2 374 374 SEP C C 13 174.101 0.100 . 1 . . . . 401 SEP C . 26702 2 16 . 2 2 374 374 SEP CA C 13 57.716 0.500 . 1 . . . . 401 SEP CA . 26702 2 17 . 2 2 374 374 SEP CB C 13 65.860 0.500 . 1 . . . . 401 SEP CB . 26702 2 18 . 2 2 374 374 SEP N N 15 118.096 0.120 . 1 . . . . 401 SEP N . 26702 2 19 . 2 2 375 375 ASP H H 1 8.368 0.007 . 1 . . . . 402 ASP H . 26702 2 20 . 2 2 375 375 ASP C C 13 175.776 0.100 . 1 . . . . 402 ASP C . 26702 2 21 . 2 2 375 375 ASP CA C 13 53.801 0.500 . 1 . . . . 402 ASP CA . 26702 2 22 . 2 2 375 375 ASP CB C 13 41.413 0.500 . 1 . . . . 402 ASP CB . 26702 2 23 . 2 2 375 375 ASP N N 15 122.127 0.120 . 1 . . . . 402 ASP N . 26702 2 24 . 2 2 376 376 ASP H H 1 8.320 0.007 . 1 . . . . 403 ASP H . 26702 2 25 . 2 2 376 376 ASP C C 13 176.975 0.100 . 1 . . . . 403 ASP C . 26702 2 26 . 2 2 376 376 ASP CA C 13 54.242 0.500 . 1 . . . . 403 ASP CA . 26702 2 27 . 2 2 376 376 ASP CB C 13 40.977 0.500 . 1 . . . . 403 ASP CB . 26702 2 28 . 2 2 376 376 ASP N N 15 121.731 0.120 . 1 . . . . 403 ASP N . 26702 2 29 . 2 2 377 377 GLY H H 1 8.405 0.007 . 1 . . . . 404 GLY H . 26702 2 30 . 2 2 377 377 GLY C C 13 174.067 0.100 . 1 . . . . 404 GLY C . 26702 2 31 . 2 2 377 377 GLY CA C 13 45.272 0.500 . 1 . . . . 404 GLY CA . 26702 2 32 . 2 2 377 377 GLY N N 15 109.315 0.120 . 1 . . . . 404 GLY N . 26702 2 33 . 2 2 378 378 ASP H H 1 8.237 0.007 . 1 . . . . 405 ASP H . 26702 2 34 . 2 2 378 378 ASP C C 13 176.003 0.100 . 1 . . . . 405 ASP C . 26702 2 35 . 2 2 378 378 ASP CA C 13 54.140 0.500 . 1 . . . . 405 ASP CA . 26702 2 36 . 2 2 378 378 ASP CB C 13 41.303 0.500 . 1 . . . . 405 ASP CB . 26702 2 37 . 2 2 378 378 ASP N N 15 120.602 0.120 . 1 . . . . 405 ASP N . 26702 2 38 . 2 2 379 379 ALA H H 1 8.287 0.007 . 1 . . . . 406 ALA H . 26702 2 39 . 2 2 379 379 ALA C C 13 178.137 0.100 . 1 . . . . 406 ALA C . 26702 2 40 . 2 2 379 379 ALA CA C 13 52.523 0.500 . 1 . . . . 406 ALA CA . 26702 2 41 . 2 2 379 379 ALA CB C 13 19.048 0.500 . 1 . . . . 406 ALA CB . 26702 2 42 . 2 2 379 379 ALA N N 15 124.957 0.120 . 1 . . . . 406 ALA N . 26702 2 43 . 2 2 380 380 GLY H H 1 8.301 0.007 . 1 . . . . 407 GLY H . 26702 2 44 . 2 2 380 380 GLY C C 13 174.252 0.100 . 1 . . . . 407 GLY C . 26702 2 45 . 2 2 380 380 GLY CA C 13 44.982 0.500 . 1 . . . . 407 GLY CA . 26702 2 46 . 2 2 380 380 GLY N N 15 108.210 0.120 . 1 . . . . 407 GLY N . 26702 2 47 . 2 2 381 381 SEP H H 1 8.844 0.007 . 1 . . . . 408 SEP H . 26702 2 48 . 2 2 381 381 SEP C C 13 174.245 0.100 . 1 . . . . 408 SEP C . 26702 2 49 . 2 2 381 381 SEP CA C 13 57.752 0.500 . 1 . . . . 408 SEP CA . 26702 2 50 . 2 2 381 381 SEP CB C 13 65.838 0.500 . 1 . . . . 408 SEP CB . 26702 2 51 . 2 2 381 381 SEP N N 15 117.054 0.120 . 1 . . . . 408 SEP N . 26702 2 52 . 2 2 382 382 ASP H H 1 8.530 0.007 . 1 . . . . 409 ASP H . 26702 2 53 . 2 2 382 382 ASP C C 13 176.271 0.100 . 1 . . . . 409 ASP C . 26702 2 54 . 2 2 382 382 ASP CA C 13 54.217 0.500 . 1 . . . . 409 ASP CA . 26702 2 55 . 2 2 382 382 ASP CB C 13 40.723 0.500 . 1 . . . . 409 ASP CB . 26702 2 56 . 2 2 382 382 ASP N N 15 122.389 0.120 . 1 . . . . 409 ASP N . 26702 2 57 . 2 2 383 383 VAL H H 1 7.978 0.007 . 1 . . . . 410 VAL H . 26702 2 58 . 2 2 383 383 VAL C C 13 176.433 0.100 . 1 . . . . 410 VAL C . 26702 2 59 . 2 2 383 383 VAL CA C 13 62.401 0.500 . 1 . . . . 410 VAL CA . 26702 2 60 . 2 2 383 383 VAL CB C 13 32.504 0.500 . 1 . . . . 410 VAL CB . 26702 2 61 . 2 2 383 383 VAL N N 15 120.065 0.120 . 1 . . . . 410 VAL N . 26702 2 62 . 2 2 384 384 GLU H H 1 8.425 0.007 . 1 . . . . 411 GLU H . 26702 2 63 . 2 2 384 384 GLU C C 13 176.553 0.100 . 1 . . . . 411 GLU C . 26702 2 64 . 2 2 384 384 GLU CA C 13 56.779 0.500 . 1 . . . . 411 GLU CA . 26702 2 65 . 2 2 384 384 GLU CB C 13 29.837 0.500 . 1 . . . . 411 GLU CB . 26702 2 66 . 2 2 384 384 GLU N N 15 123.964 0.120 . 1 . . . . 411 GLU N . 26702 2 67 . 2 2 385 385 SER H H 1 8.182 0.007 . 1 . . . . 412 SER H . 26702 2 68 . 2 2 385 385 SER C C 13 174.303 0.100 . 1 . . . . 412 SER C . 26702 2 69 . 2 2 385 385 SER CA C 13 58.434 0.500 . 1 . . . . 412 SER CA . 26702 2 70 . 2 2 385 385 SER CB C 13 63.631 0.500 . 1 . . . . 412 SER CB . 26702 2 71 . 2 2 385 385 SER N N 15 116.601 0.120 . 1 . . . . 412 SER N . 26702 2 72 . 2 2 386 386 TYR H H 1 8.129 0.007 . 1 . . . . 413 TYR H . 26702 2 73 . 2 2 386 386 TYR C C 13 175.880 0.100 . 1 . . . . 413 TYR C . 26702 2 74 . 2 2 386 386 TYR CA C 13 58.155 0.500 . 1 . . . . 413 TYR CA . 26702 2 75 . 2 2 386 386 TYR CB C 13 38.516 0.500 . 1 . . . . 413 TYR CB . 26702 2 76 . 2 2 386 386 TYR N N 15 122.132 0.120 . 1 . . . . 413 TYR N . 26702 2 77 . 2 2 387 387 SER H H 1 8.143 0.007 . 1 . . . . 414 SER H . 26702 2 78 . 2 2 387 387 SER C C 13 174.331 0.100 . 1 . . . . 414 SER C . 26702 2 79 . 2 2 387 387 SER CA C 13 58.337 0.500 . 1 . . . . 414 SER CA . 26702 2 80 . 2 2 387 387 SER CB C 13 63.725 0.500 . 1 . . . . 414 SER CB . 26702 2 81 . 2 2 387 387 SER N N 15 117.139 0.120 . 1 . . . . 414 SER N . 26702 2 82 . 2 2 388 388 SER H H 1 8.205 0.007 . 1 . . . . 415 SER H . 26702 2 83 . 2 2 388 388 SER C C 13 174.185 0.100 . 1 . . . . 415 SER C . 26702 2 84 . 2 2 388 388 SER CA C 13 58.324 0.500 . 1 . . . . 415 SER CA . 26702 2 85 . 2 2 388 388 SER CB C 13 63.399 0.500 . 1 . . . . 415 SER CB . 26702 2 86 . 2 2 388 388 SER N N 15 117.819 0.120 . 1 . . . . 415 SER N . 26702 2 87 . 2 2 389 389 MET H H 1 8.227 0.007 . 1 . . . . 416 MET H . 26702 2 88 . 2 2 389 389 MET C C 13 173.679 0.100 . 1 . . . . 416 MET C . 26702 2 89 . 2 2 389 389 MET CA C 13 53.231 0.500 . 1 . . . . 416 MET CA . 26702 2 90 . 2 2 389 389 MET CB C 13 32.210 0.500 . 1 . . . . 416 MET CB . 26702 2 91 . 2 2 389 389 MET N N 15 123.254 0.120 . 1 . . . . 416 MET N . 26702 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 26702 _Assigned_chem_shift_list.ID 3 _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 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.120 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer2. ; _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' . . . 26702 3 2 '3D HNCACB' . . . 26702 3 3 '3D HN(CO)CACB' . . . 26702 3 4 '3D HNCO' . . . 26702 3 5 '3D HN(CA)CO' . . . 26702 3 6 '3D HN(CA)NNH' . . . 26702 3 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 . 3 3 400 400 ASP H H 1 8.422 0.007 . 1 . . . . 427 ASP H . 26702 3 2 . 3 3 400 400 ASP C C 13 176.457 0.100 . 1 . . . . 427 ASP C . 26702 3 3 . 3 3 400 400 ASP CA C 13 54.250 0.500 . 1 . . . . 427 ASP CA . 26702 3 4 . 3 3 400 400 ASP CB C 13 40.769 0.500 . 1 . . . . 427 ASP CB . 26702 3 5 . 3 3 400 400 ASP N N 15 119.875 0.120 . 1 . . . . 427 ASP N . 26702 3 6 . 3 3 401 401 LEU H H 1 8.069 0.007 . 1 . . . . 428 LEU H . 26702 3 7 . 3 3 401 401 LEU C C 13 177.642 0.100 . 1 . . . . 428 LEU C . 26702 3 8 . 3 3 401 401 LEU CA C 13 54.928 0.500 . 1 . . . . 428 LEU CA . 26702 3 9 . 3 3 401 401 LEU CB C 13 41.708 0.500 . 1 . . . . 428 LEU CB . 26702 3 10 . 3 3 401 401 LEU N N 15 122.975 0.120 . 1 . . . . 428 LEU N . 26702 3 11 . 3 3 402 402 SER H H 1 8.273 0.007 . 1 . . . . 429 SER H . 26702 3 12 . 3 3 402 402 SER C C 13 174.480 0.100 . 1 . . . . 429 SER C . 26702 3 13 . 3 3 402 402 SER CA C 13 58.543 0.500 . 1 . . . . 429 SER CA . 26702 3 14 . 3 3 402 402 SER CB C 13 63.678 0.500 . 1 . . . . 429 SER CB . 26702 3 15 . 3 3 402 402 SER N N 15 116.451 0.120 . 1 . . . . 429 SER N . 26702 3 16 . 3 3 403 403 ASP H H 1 8.271 0.007 . 1 . . . . 430 ASP H . 26702 3 17 . 3 3 403 403 ASP C C 13 176.853 0.100 . 1 . . . . 430 ASP C . 26702 3 18 . 3 3 403 403 ASP CA C 13 54.280 0.500 . 1 . . . . 430 ASP CA . 26702 3 19 . 3 3 403 403 ASP CB C 13 40.966 0.500 . 1 . . . . 430 ASP CB . 26702 3 20 . 3 3 403 403 ASP N N 15 122.241 0.120 . 1 . . . . 430 ASP N . 26702 3 21 . 3 3 404 404 GLY H H 1 8.258 0.007 . 1 . . . . 431 GLY H . 26702 3 22 . 3 3 404 404 GLY C C 13 174.610 0.100 . 1 . . . . 431 GLY C . 26702 3 23 . 3 3 404 404 GLY CA C 13 45.272 0.500 . 1 . . . . 431 GLY CA . 26702 3 24 . 3 3 404 404 GLY N N 15 109.344 0.120 . 1 . . . . 431 GLY N . 26702 3 25 . 3 3 405 405 SER H H 1 8.167 0.007 . 1 . . . . 432 SER H . 26702 3 26 . 3 3 405 405 SER C C 13 174.403 0.100 . 1 . . . . 432 SER C . 26702 3 27 . 3 3 405 405 SER CA C 13 58.682 0.500 . 1 . . . . 432 SER CA . 26702 3 28 . 3 3 405 405 SER CB C 13 63.477 0.500 . 1 . . . . 432 SER CB . 26702 3 29 . 3 3 405 405 SER N N 15 115.888 0.120 . 1 . . . . 432 SER N . 26702 3 30 . 3 3 406 406 TRP H H 1 8.016 0.007 . 1 . . . . 433 TRP H . 26702 3 31 . 3 3 406 406 TRP C C 13 176.151 0.100 . 1 . . . . 433 TRP C . 26702 3 32 . 3 3 406 406 TRP CA C 13 57.259 0.500 . 1 . . . . 433 TRP CA . 26702 3 33 . 3 3 406 406 TRP CB C 13 29.310 0.500 . 1 . . . . 433 TRP CB . 26702 3 34 . 3 3 406 406 TRP N N 15 122.310 0.120 . 1 . . . . 433 TRP N . 26702 3 35 . 3 3 407 407 SER H H 1 7.984 0.007 . 1 . . . . 434 SER H . 26702 3 36 . 3 3 407 407 SER C C 13 174.467 0.100 . 1 . . . . 434 SER C . 26702 3 37 . 3 3 407 407 SER CA C 13 58.036 0.500 . 1 . . . . 434 SER CA . 26702 3 38 . 3 3 407 407 SER CB C 13 63.692 0.500 . 1 . . . . 434 SER CB . 26702 3 39 . 3 3 407 407 SER N N 15 116.933 0.120 . 1 . . . . 434 SER N . 26702 3 40 . 3 3 408 408 THR H H 1 8.082 0.007 . 1 . . . . 435 THR H . 26702 3 41 . 3 3 408 408 THR C C 13 174.498 0.100 . 1 . . . . 435 THR C . 26702 3 42 . 3 3 408 408 THR CA C 13 61.931 0.500 . 1 . . . . 435 THR CA . 26702 3 43 . 3 3 408 408 THR CB C 13 69.645 0.500 . 1 . . . . 435 THR CB . 26702 3 44 . 3 3 408 408 THR N N 15 116.065 0.120 . 1 . . . . 435 THR N . 26702 3 45 . 3 3 409 409 VAL H H 1 8.072 0.007 . 1 . . . . 436 VAL H . 26702 3 46 . 3 3 409 409 VAL C C 13 176.061 0.100 . 1 . . . . 436 VAL C . 26702 3 47 . 3 3 409 409 VAL CA C 13 62.245 0.500 . 1 . . . . 436 VAL CA . 26702 3 48 . 3 3 409 409 VAL CB C 13 32.616 0.500 . 1 . . . . 436 VAL CB . 26702 3 49 . 3 3 409 409 VAL N N 15 122.316 0.120 . 1 . . . . 436 VAL N . 26702 3 50 . 3 3 410 410 SER H H 1 8.365 0.007 . 1 . . . . 437 SER H . 26702 3 51 . 3 3 410 410 SER C C 13 174.002 0.100 . 1 . . . . 437 SER C . 26702 3 52 . 3 3 410 410 SER CA C 13 58.159 0.500 . 1 . . . . 437 SER CA . 26702 3 53 . 3 3 410 410 SER CB C 13 63.680 0.500 . 1 . . . . 437 SER CB . 26702 3 54 . 3 3 410 410 SER N N 15 119.883 0.120 . 1 . . . . 437 SER N . 26702 3 55 . 3 3 411 411 GLU H H 1 8.487 0.007 . 1 . . . . 438 GLU H . 26702 3 56 . 3 3 411 411 GLU C C 13 176.357 0.100 . 1 . . . . 438 GLU C . 26702 3 57 . 3 3 411 411 GLU CA C 13 56.382 0.500 . 1 . . . . 438 GLU CA . 26702 3 58 . 3 3 411 411 GLU CB C 13 30.232 0.500 . 1 . . . . 438 GLU CB . 26702 3 59 . 3 3 411 411 GLU N N 15 123.490 0.120 . 1 . . . . 438 GLU N . 26702 3 60 . 3 3 412 412 GLU H H 1 8.373 0.007 . 1 . . . . 439 GLU H . 26702 3 61 . 3 3 412 412 GLU C C 13 176.355 0.100 . 1 . . . . 439 GLU C . 26702 3 62 . 3 3 412 412 GLU CA C 13 56.488 0.500 . 1 . . . . 439 GLU CA . 26702 3 63 . 3 3 412 412 GLU CB C 13 29.781 0.500 . 1 . . . . 439 GLU CB . 26702 3 64 . 3 3 412 412 GLU N N 15 121.817 0.120 . 1 . . . . 439 GLU N . 26702 3 65 . 3 3 413 413 ALA H H 1 8.320 0.007 . 1 . . . . 440 ALA H . 26702 3 66 . 3 3 413 413 ALA C C 13 177.601 0.100 . 1 . . . . 440 ALA C . 26702 3 67 . 3 3 413 413 ALA CA C 13 52.289 0.500 . 1 . . . . 440 ALA CA . 26702 3 68 . 3 3 413 413 ALA CB C 13 19.074 0.500 . 1 . . . . 440 ALA CB . 26702 3 69 . 3 3 413 413 ALA N N 15 125.545 0.120 . 1 . . . . 440 ALA N . 26702 3 70 . 3 3 414 414 SER H H 1 8.263 0.007 . 1 . . . . 441 SER H . 26702 3 71 . 3 3 414 414 SER C C 13 174.768 0.100 . 1 . . . . 441 SER C . 26702 3 72 . 3 3 414 414 SER CA C 13 58.374 0.500 . 1 . . . . 441 SER CA . 26702 3 73 . 3 3 414 414 SER CB C 13 63.723 0.500 . 1 . . . . 441 SER CB . 26702 3 74 . 3 3 414 414 SER N N 15 115.686 0.120 . 1 . . . . 441 SER N . 26702 3 stop_ save_ save_assigned_chem_shift_list_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_4 _Assigned_chem_shift_list.Entry_ID 26702 _Assigned_chem_shift_list.ID 4 _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 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.120 _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 ; Due to phosphorylations, resonances for residues between 398-416, 427-441 and 432-437 were multiple. This weak intensity population is called Minor conformer3. ; _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' . . . 26702 4 2 '3D HNCACB' . . . 26702 4 3 '3D HN(CO)CACB' . . . 26702 4 4 '3D HNCO' . . . 26702 4 5 '3D HN(CA)CO' . . . 26702 4 6 '3D HN(CA)NNH' . . . 26702 4 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 . 4 4 405 405 SEP H H 1 8.434 0.007 . 1 . . . . 432 SEP H . 26702 4 2 . 4 4 405 405 SEP C C 13 173.843 0.100 . 1 . . . . 432 SEP C . 26702 4 3 . 4 4 405 405 SEP CA C 13 56.876 0.500 . 1 . . . . 432 SEP CA . 26702 4 4 . 4 4 405 405 SEP CB C 13 65.813 0.500 . 1 . . . . 432 SEP CB . 26702 4 5 . 4 4 405 405 SEP N N 15 116.267 0.120 . 1 . . . . 432 SEP N . 26702 4 6 . 4 4 406 406 TRP H H 1 8.161 0.007 . 1 . . . . 433 TRP H . 26702 4 7 . 4 4 406 406 TRP C C 13 175.909 0.100 . 1 . . . . 433 TRP C . 26702 4 8 . 4 4 406 406 TRP CA C 13 56.876 0.500 . 1 . . . . 433 TRP CA . 26702 4 9 . 4 4 406 406 TRP CB C 13 29.983 0.500 . 1 . . . . 433 TRP CB . 26702 4 10 . 4 4 406 406 TRP N N 15 123.061 0.120 . 1 . . . . 433 TRP N . 26702 4 11 . 4 4 407 407 SEP H H 1 8.623 0.007 . 1 . . . . 434 SEP H . 26702 4 12 . 4 4 407 407 SEP C C 13 173.630 0.100 . 1 . . . . 434 SEP C . 26702 4 13 . 4 4 407 407 SEP CA C 13 57.252 0.500 . 1 . . . . 434 SEP CA . 26702 4 14 . 4 4 407 407 SEP CB C 13 65.956 0.500 . 1 . . . . 434 SEP CB . 26702 4 15 . 4 4 407 407 SEP N N 15 118.858 0.120 . 1 . . . . 434 SEP N . 26702 4 16 . 4 4 408 408 TPO H H 1 8.925 0.007 . 1 . . . . 435 TPO H . 26702 4 17 . 4 4 408 408 TPO C C 13 173.763 0.100 . 1 . . . . 435 TPO C . 26702 4 18 . 4 4 408 408 TPO CA C 13 62.021 0.500 . 1 . . . . 435 TPO CA . 26702 4 19 . 4 4 408 408 TPO CB C 13 72.171 0.500 . 1 . . . . 435 TPO CB . 26702 4 20 . 4 4 408 408 TPO N N 15 119.965 0.120 . 1 . . . . 435 TPO N . 26702 4 21 . 4 4 409 409 VAL H H 1 8.357 0.007 . 1 . . . . 436 VAL H . 26702 4 22 . 4 4 409 409 VAL C C 13 174.083 0.100 . 1 . . . . 436 VAL C . 26702 4 23 . 4 4 409 409 VAL CA C 13 61.568 0.500 . 1 . . . . 436 VAL CA . 26702 4 24 . 4 4 409 409 VAL CB C 13 33.193 0.500 . 1 . . . . 436 VAL CB . 26702 4 25 . 4 4 409 409 VAL N N 15 124.775 0.120 . 1 . . . . 436 VAL N . 26702 4 26 . 4 4 410 410 SEP H H 1 8.845 0.007 . 1 . . . . 437 SEP H . 26702 4 27 . 4 4 410 410 SEP C C 13 174.083 0.100 . 1 . . . . 437 SEP C . 26702 4 28 . 4 4 410 410 SEP CA C 13 57.670 0.500 . 1 . . . . 437 SEP CA . 26702 4 29 . 4 4 410 410 SEP CB C 13 65.814 0.500 . 1 . . . . 437 SEP CB . 26702 4 30 . 4 4 410 410 SEP N N 15 121.307 0.120 . 1 . . . . 437 SEP N . 26702 4 stop_ save_