data_50193 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50193 _Entry.Title ; Structures of the free and bound forms of the intrinsically disordered plant viral genome-linked protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-07 _Entry.Accession_date 2020-02-07 _Entry.Last_release_date 2020-02-07 _Entry.Original_release_date 2020-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Karuna Dixit . . . 0000-0003-3583-2512 50193 2 Megha Karanth . N. . 0000-0002-5114-5643 50193 3 Smita Nair . . . . 50193 4 Khushboo Kumari . . . . 50193 5 Kalyan Chakraborti . S. . . 50193 6 H. Savitri . S. . . 50193 7 Siddhartha Sarma . P. . 0000-0001-7619-8904 50193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 152 50193 '15N chemical shifts' 49 50193 '1H chemical shifts' 85 50193 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-08-12 . original BMRB . 50193 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50188 'Single Chain Pro-VPg' 50193 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50193 _Citation.ID 1 _Citation.Name 'Structures of the free and bound forms of the intrinsically disordered plant viral genome-linked protein' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33269926 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Aromatic Interactions Drive the Coupled Folding and Binding of the Intrinsically Disordered Sesbania mosaic Virus VPg Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 59 _Citation.Journal_issue 49 _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 4663 _Citation.Page_last 4680 _Citation.Year 2020 _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 Karuna Dixit . . . . 50193 1 2 Megha Karanth . N. . . 50193 1 3 Smita Nair . . . . 50193 1 4 Khushboo Kumari . . . . 50193 1 5 Kalyan Chakraborti . S. . . 50193 1 6 H. Savitri . S. . . 50193 1 7 Siddhartha Sarma . P. . . 50193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50193 _Assembly.ID 1 _Assembly.Name 'VPg in bound state' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ProVPg 1 $entity_1 . . no native no no . . . 50193 1 2 VPg 2 $entity_2 . . yes native no no . . . 50193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50193 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGMASSLKLNV GDASNESAVLGSFYSPVKAG DEPASLVAIKSGPTTIGFGC RTKIDGEDCLLTAHHVWCNS MRPTGLAKAGKQVSVEDWEI SMSSSDKMLDFAIVRVPTHV WSKLGVKSTPLVCPSSKDVI TCYGGSSSDCLMSGVGSSST SEFTWKLTHTCPTAAGWAGT PLYSSRGVVGMHVGFEEIGK LNRGVNMFYVANYLLRSNET LPPELSIIEIPFDDVETRSY EFIEVEIKGRGKAKLGKREF AWIPESGKYWADEDEDELPP PPKLVGGKLVWENAQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 107-402 _Entity.Polymer_author_seq_details ; Karuna Dixit, N. Megha Karanth, Smita Nair, Khushboo Kumari, Kalyan S. Chakraborti, H.S. Savithri, and Siddhartha P Sarma. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 296 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 107 MET . 50193 1 2 108 ARG . 50193 1 3 109 GLY . 50193 1 4 110 SER . 50193 1 5 111 HIS . 50193 1 6 112 HIS . 50193 1 7 113 HIS . 50193 1 8 114 HIS . 50193 1 9 115 HIS . 50193 1 10 116 HIS . 50193 1 11 117 GLY . 50193 1 12 118 MET . 50193 1 13 119 ALA . 50193 1 14 120 SER . 50193 1 15 121 SER . 50193 1 16 122 LEU . 50193 1 17 123 LYS . 50193 1 18 124 LEU . 50193 1 19 125 ASN . 50193 1 20 126 VAL . 50193 1 21 127 GLY . 50193 1 22 128 ASP . 50193 1 23 129 ALA . 50193 1 24 130 SER . 50193 1 25 131 ASN . 50193 1 26 132 GLU . 50193 1 27 133 SER . 50193 1 28 134 ALA . 50193 1 29 135 VAL . 50193 1 30 136 LEU . 50193 1 31 137 GLY . 50193 1 32 138 SER . 50193 1 33 139 PHE . 50193 1 34 140 TYR . 50193 1 35 141 SER . 50193 1 36 142 PRO . 50193 1 37 143 VAL . 50193 1 38 144 LYS . 50193 1 39 145 ALA . 50193 1 40 146 GLY . 50193 1 41 147 ASP . 50193 1 42 148 GLU . 50193 1 43 149 PRO . 50193 1 44 150 ALA . 50193 1 45 151 SER . 50193 1 46 152 LEU . 50193 1 47 153 VAL . 50193 1 48 154 ALA . 50193 1 49 155 ILE . 50193 1 50 156 LYS . 50193 1 51 157 SER . 50193 1 52 158 GLY . 50193 1 53 159 PRO . 50193 1 54 160 THR . 50193 1 55 161 THR . 50193 1 56 162 ILE . 50193 1 57 163 GLY . 50193 1 58 164 PHE . 50193 1 59 165 GLY . 50193 1 60 166 CYS . 50193 1 61 167 ARG . 50193 1 62 168 THR . 50193 1 63 169 LYS . 50193 1 64 170 ILE . 50193 1 65 171 ASP . 50193 1 66 172 GLY . 50193 1 67 173 GLU . 50193 1 68 174 ASP . 50193 1 69 175 CYS . 50193 1 70 176 LEU . 50193 1 71 177 LEU . 50193 1 72 178 THR . 50193 1 73 179 ALA . 50193 1 74 180 HIS . 50193 1 75 181 HIS . 50193 1 76 182 VAL . 50193 1 77 183 TRP . 50193 1 78 184 CYS . 50193 1 79 185 ASN . 50193 1 80 186 SER . 50193 1 81 187 MET . 50193 1 82 188 ARG . 50193 1 83 189 PRO . 50193 1 84 190 THR . 50193 1 85 191 GLY . 50193 1 86 192 LEU . 50193 1 87 193 ALA . 50193 1 88 194 LYS . 50193 1 89 195 ALA . 50193 1 90 196 GLY . 50193 1 91 197 LYS . 50193 1 92 198 GLN . 50193 1 93 199 VAL . 50193 1 94 200 SER . 50193 1 95 201 VAL . 50193 1 96 202 GLU . 50193 1 97 203 ASP . 50193 1 98 204 TRP . 50193 1 99 205 GLU . 50193 1 100 206 ILE . 50193 1 101 207 SER . 50193 1 102 208 MET . 50193 1 103 209 SER . 50193 1 104 210 SER . 50193 1 105 211 SER . 50193 1 106 212 ASP . 50193 1 107 213 LYS . 50193 1 108 214 MET . 50193 1 109 215 LEU . 50193 1 110 216 ASP . 50193 1 111 217 PHE . 50193 1 112 218 ALA . 50193 1 113 219 ILE . 50193 1 114 220 VAL . 50193 1 115 221 ARG . 50193 1 116 222 VAL . 50193 1 117 223 PRO . 50193 1 118 224 THR . 50193 1 119 225 HIS . 50193 1 120 226 VAL . 50193 1 121 227 TRP . 50193 1 122 228 SER . 50193 1 123 229 LYS . 50193 1 124 230 LEU . 50193 1 125 231 GLY . 50193 1 126 232 VAL . 50193 1 127 233 LYS . 50193 1 128 234 SER . 50193 1 129 235 THR . 50193 1 130 236 PRO . 50193 1 131 237 LEU . 50193 1 132 238 VAL . 50193 1 133 239 CYS . 50193 1 134 240 PRO . 50193 1 135 241 SER . 50193 1 136 242 SER . 50193 1 137 243 LYS . 50193 1 138 244 ASP . 50193 1 139 245 VAL . 50193 1 140 246 ILE . 50193 1 141 247 THR . 50193 1 142 248 CYS . 50193 1 143 249 TYR . 50193 1 144 250 GLY . 50193 1 145 251 GLY . 50193 1 146 252 SER . 50193 1 147 253 SER . 50193 1 148 254 SER . 50193 1 149 255 ASP . 50193 1 150 256 CYS . 50193 1 151 257 LEU . 50193 1 152 258 MET . 50193 1 153 259 SER . 50193 1 154 260 GLY . 50193 1 155 261 VAL . 50193 1 156 262 GLY . 50193 1 157 263 SER . 50193 1 158 264 SER . 50193 1 159 265 SER . 50193 1 160 266 THR . 50193 1 161 267 SER . 50193 1 162 268 GLU . 50193 1 163 269 PHE . 50193 1 164 270 THR . 50193 1 165 271 TRP . 50193 1 166 272 LYS . 50193 1 167 273 LEU . 50193 1 168 274 THR . 50193 1 169 275 HIS . 50193 1 170 276 THR . 50193 1 171 277 CYS . 50193 1 172 278 PRO . 50193 1 173 279 THR . 50193 1 174 280 ALA . 50193 1 175 281 ALA . 50193 1 176 282 GLY . 50193 1 177 283 TRP . 50193 1 178 284 ALA . 50193 1 179 285 GLY . 50193 1 180 286 THR . 50193 1 181 287 PRO . 50193 1 182 288 LEU . 50193 1 183 289 TYR . 50193 1 184 290 SER . 50193 1 185 291 SER . 50193 1 186 292 ARG . 50193 1 187 293 GLY . 50193 1 188 294 VAL . 50193 1 189 295 VAL . 50193 1 190 296 GLY . 50193 1 191 297 MET . 50193 1 192 298 HIS . 50193 1 193 299 VAL . 50193 1 194 300 GLY . 50193 1 195 301 PHE . 50193 1 196 302 GLU . 50193 1 197 303 GLU . 50193 1 198 304 ILE . 50193 1 199 305 GLY . 50193 1 200 306 LYS . 50193 1 201 307 LEU . 50193 1 202 308 ASN . 50193 1 203 309 ARG . 50193 1 204 310 GLY . 50193 1 205 311 VAL . 50193 1 206 312 ASN . 50193 1 207 313 MET . 50193 1 208 314 PHE . 50193 1 209 315 TYR . 50193 1 210 316 VAL . 50193 1 211 317 ALA . 50193 1 212 318 ASN . 50193 1 213 319 TYR . 50193 1 214 320 LEU . 50193 1 215 321 LEU . 50193 1 216 322 ARG . 50193 1 217 323 SER . 50193 1 218 324 ASN . 50193 1 219 325 GLU . 50193 1 220 326 THR . 50193 1 221 327 LEU . 50193 1 222 328 PRO . 50193 1 223 329 PRO . 50193 1 224 330 GLU . 50193 1 225 331 LEU . 50193 1 226 332 SER . 50193 1 227 333 ILE . 50193 1 228 334 ILE . 50193 1 229 335 GLU . 50193 1 230 336 ILE . 50193 1 231 337 PRO . 50193 1 232 338 PHE . 50193 1 233 339 ASP . 50193 1 234 340 ASP . 50193 1 235 341 VAL . 50193 1 236 342 GLU . 50193 1 237 343 THR . 50193 1 238 344 ARG . 50193 1 239 345 SER . 50193 1 240 346 TYR . 50193 1 241 347 GLU . 50193 1 242 348 PHE . 50193 1 243 349 ILE . 50193 1 244 350 GLU . 50193 1 245 351 VAL . 50193 1 246 352 GLU . 50193 1 247 353 ILE . 50193 1 248 354 LYS . 50193 1 249 355 GLY . 50193 1 250 356 ARG . 50193 1 251 357 GLY . 50193 1 252 358 LYS . 50193 1 253 359 ALA . 50193 1 254 360 LYS . 50193 1 255 361 LEU . 50193 1 256 362 GLY . 50193 1 257 363 LYS . 50193 1 258 364 ARG . 50193 1 259 365 GLU . 50193 1 260 366 PHE . 50193 1 261 367 ALA . 50193 1 262 368 TRP . 50193 1 263 369 ILE . 50193 1 264 370 PRO . 50193 1 265 371 GLU . 50193 1 266 372 SER . 50193 1 267 373 GLY . 50193 1 268 374 LYS . 50193 1 269 375 TYR . 50193 1 270 376 TRP . 50193 1 271 377 ALA . 50193 1 272 378 ASP . 50193 1 273 379 GLU . 50193 1 274 380 ASP . 50193 1 275 381 GLU . 50193 1 276 382 ASP . 50193 1 277 383 GLU . 50193 1 278 384 LEU . 50193 1 279 385 PRO . 50193 1 280 386 PRO . 50193 1 281 387 PRO . 50193 1 282 388 PRO . 50193 1 283 389 LYS . 50193 1 284 390 LEU . 50193 1 285 391 VAL . 50193 1 286 392 GLY . 50193 1 287 393 GLY . 50193 1 288 394 LYS . 50193 1 289 395 LEU . 50193 1 290 396 VAL . 50193 1 291 397 TRP . 50193 1 292 398 GLU . 50193 1 293 399 ASN . 50193 1 294 400 ALA . 50193 1 295 401 GLN . 50193 1 296 402 GLU . 50193 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 50193 1 . ARG 2 2 50193 1 . GLY 3 3 50193 1 . SER 4 4 50193 1 . HIS 5 5 50193 1 . HIS 6 6 50193 1 . HIS 7 7 50193 1 . HIS 8 8 50193 1 . HIS 9 9 50193 1 . HIS 10 10 50193 1 . GLY 11 11 50193 1 . MET 12 12 50193 1 . ALA 13 13 50193 1 . SER 14 14 50193 1 . SER 15 15 50193 1 . LEU 16 16 50193 1 . LYS 17 17 50193 1 . LEU 18 18 50193 1 . ASN 19 19 50193 1 . VAL 20 20 50193 1 . GLY 21 21 50193 1 . ASP 22 22 50193 1 . ALA 23 23 50193 1 . SER 24 24 50193 1 . ASN 25 25 50193 1 . GLU 26 26 50193 1 . SER 27 27 50193 1 . ALA 28 28 50193 1 . VAL 29 29 50193 1 . LEU 30 30 50193 1 . GLY 31 31 50193 1 . SER 32 32 50193 1 . PHE 33 33 50193 1 . TYR 34 34 50193 1 . SER 35 35 50193 1 . PRO 36 36 50193 1 . VAL 37 37 50193 1 . LYS 38 38 50193 1 . ALA 39 39 50193 1 . GLY 40 40 50193 1 . ASP 41 41 50193 1 . GLU 42 42 50193 1 . PRO 43 43 50193 1 . ALA 44 44 50193 1 . SER 45 45 50193 1 . LEU 46 46 50193 1 . VAL 47 47 50193 1 . ALA 48 48 50193 1 . ILE 49 49 50193 1 . LYS 50 50 50193 1 . SER 51 51 50193 1 . GLY 52 52 50193 1 . PRO 53 53 50193 1 . THR 54 54 50193 1 . THR 55 55 50193 1 . ILE 56 56 50193 1 . GLY 57 57 50193 1 . PHE 58 58 50193 1 . GLY 59 59 50193 1 . CYS 60 60 50193 1 . ARG 61 61 50193 1 . THR 62 62 50193 1 . LYS 63 63 50193 1 . ILE 64 64 50193 1 . ASP 65 65 50193 1 . GLY 66 66 50193 1 . GLU 67 67 50193 1 . ASP 68 68 50193 1 . CYS 69 69 50193 1 . LEU 70 70 50193 1 . LEU 71 71 50193 1 . THR 72 72 50193 1 . ALA 73 73 50193 1 . HIS 74 74 50193 1 . HIS 75 75 50193 1 . VAL 76 76 50193 1 . TRP 77 77 50193 1 . CYS 78 78 50193 1 . ASN 79 79 50193 1 . SER 80 80 50193 1 . MET 81 81 50193 1 . ARG 82 82 50193 1 . PRO 83 83 50193 1 . THR 84 84 50193 1 . GLY 85 85 50193 1 . LEU 86 86 50193 1 . ALA 87 87 50193 1 . LYS 88 88 50193 1 . ALA 89 89 50193 1 . GLY 90 90 50193 1 . LYS 91 91 50193 1 . GLN 92 92 50193 1 . VAL 93 93 50193 1 . SER 94 94 50193 1 . VAL 95 95 50193 1 . GLU 96 96 50193 1 . ASP 97 97 50193 1 . TRP 98 98 50193 1 . GLU 99 99 50193 1 . ILE 100 100 50193 1 . SER 101 101 50193 1 . MET 102 102 50193 1 . SER 103 103 50193 1 . SER 104 104 50193 1 . SER 105 105 50193 1 . ASP 106 106 50193 1 . LYS 107 107 50193 1 . MET 108 108 50193 1 . LEU 109 109 50193 1 . ASP 110 110 50193 1 . PHE 111 111 50193 1 . ALA 112 112 50193 1 . ILE 113 113 50193 1 . VAL 114 114 50193 1 . ARG 115 115 50193 1 . VAL 116 116 50193 1 . PRO 117 117 50193 1 . THR 118 118 50193 1 . HIS 119 119 50193 1 . VAL 120 120 50193 1 . TRP 121 121 50193 1 . SER 122 122 50193 1 . LYS 123 123 50193 1 . LEU 124 124 50193 1 . GLY 125 125 50193 1 . VAL 126 126 50193 1 . LYS 127 127 50193 1 . SER 128 128 50193 1 . THR 129 129 50193 1 . PRO 130 130 50193 1 . LEU 131 131 50193 1 . VAL 132 132 50193 1 . CYS 133 133 50193 1 . PRO 134 134 50193 1 . SER 135 135 50193 1 . SER 136 136 50193 1 . LYS 137 137 50193 1 . ASP 138 138 50193 1 . VAL 139 139 50193 1 . ILE 140 140 50193 1 . THR 141 141 50193 1 . CYS 142 142 50193 1 . TYR 143 143 50193 1 . GLY 144 144 50193 1 . GLY 145 145 50193 1 . SER 146 146 50193 1 . SER 147 147 50193 1 . SER 148 148 50193 1 . ASP 149 149 50193 1 . CYS 150 150 50193 1 . LEU 151 151 50193 1 . MET 152 152 50193 1 . SER 153 153 50193 1 . GLY 154 154 50193 1 . VAL 155 155 50193 1 . GLY 156 156 50193 1 . SER 157 157 50193 1 . SER 158 158 50193 1 . SER 159 159 50193 1 . THR 160 160 50193 1 . SER 161 161 50193 1 . GLU 162 162 50193 1 . PHE 163 163 50193 1 . THR 164 164 50193 1 . TRP 165 165 50193 1 . LYS 166 166 50193 1 . LEU 167 167 50193 1 . THR 168 168 50193 1 . HIS 169 169 50193 1 . THR 170 170 50193 1 . CYS 171 171 50193 1 . PRO 172 172 50193 1 . THR 173 173 50193 1 . ALA 174 174 50193 1 . ALA 175 175 50193 1 . GLY 176 176 50193 1 . TRP 177 177 50193 1 . ALA 178 178 50193 1 . GLY 179 179 50193 1 . THR 180 180 50193 1 . PRO 181 181 50193 1 . LEU 182 182 50193 1 . TYR 183 183 50193 1 . SER 184 184 50193 1 . SER 185 185 50193 1 . ARG 186 186 50193 1 . GLY 187 187 50193 1 . VAL 188 188 50193 1 . VAL 189 189 50193 1 . GLY 190 190 50193 1 . MET 191 191 50193 1 . HIS 192 192 50193 1 . VAL 193 193 50193 1 . GLY 194 194 50193 1 . PHE 195 195 50193 1 . GLU 196 196 50193 1 . GLU 197 197 50193 1 . ILE 198 198 50193 1 . GLY 199 199 50193 1 . LYS 200 200 50193 1 . LEU 201 201 50193 1 . ASN 202 202 50193 1 . ARG 203 203 50193 1 . GLY 204 204 50193 1 . VAL 205 205 50193 1 . ASN 206 206 50193 1 . MET 207 207 50193 1 . PHE 208 208 50193 1 . TYR 209 209 50193 1 . VAL 210 210 50193 1 . ALA 211 211 50193 1 . ASN 212 212 50193 1 . TYR 213 213 50193 1 . LEU 214 214 50193 1 . LEU 215 215 50193 1 . ARG 216 216 50193 1 . SER 217 217 50193 1 . ASN 218 218 50193 1 . GLU 219 219 50193 1 . THR 220 220 50193 1 . LEU 221 221 50193 1 . PRO 222 222 50193 1 . PRO 223 223 50193 1 . GLU 224 224 50193 1 . LEU 225 225 50193 1 . SER 226 226 50193 1 . ILE 227 227 50193 1 . ILE 228 228 50193 1 . GLU 229 229 50193 1 . ILE 230 230 50193 1 . PRO 231 231 50193 1 . PHE 232 232 50193 1 . ASP 233 233 50193 1 . ASP 234 234 50193 1 . VAL 235 235 50193 1 . GLU 236 236 50193 1 . THR 237 237 50193 1 . ARG 238 238 50193 1 . SER 239 239 50193 1 . TYR 240 240 50193 1 . GLU 241 241 50193 1 . PHE 242 242 50193 1 . ILE 243 243 50193 1 . GLU 244 244 50193 1 . VAL 245 245 50193 1 . GLU 246 246 50193 1 . ILE 247 247 50193 1 . LYS 248 248 50193 1 . GLY 249 249 50193 1 . ARG 250 250 50193 1 . GLY 251 251 50193 1 . LYS 252 252 50193 1 . ALA 253 253 50193 1 . LYS 254 254 50193 1 . LEU 255 255 50193 1 . GLY 256 256 50193 1 . LYS 257 257 50193 1 . ARG 258 258 50193 1 . GLU 259 259 50193 1 . PHE 260 260 50193 1 . ALA 261 261 50193 1 . TRP 262 262 50193 1 . ILE 263 263 50193 1 . PRO 264 264 50193 1 . GLU 265 265 50193 1 . SER 266 266 50193 1 . GLY 267 267 50193 1 . LYS 268 268 50193 1 . TYR 269 269 50193 1 . TRP 270 270 50193 1 . ALA 271 271 50193 1 . ASP 272 272 50193 1 . GLU 273 273 50193 1 . ASP 274 274 50193 1 . GLU 275 275 50193 1 . ASP 276 276 50193 1 . GLU 277 277 50193 1 . LEU 278 278 50193 1 . PRO 279 279 50193 1 . PRO 280 280 50193 1 . PRO 281 281 50193 1 . PRO 282 282 50193 1 . LYS 283 283 50193 1 . LEU 284 284 50193 1 . VAL 285 285 50193 1 . GLY 286 286 50193 1 . GLY 287 287 50193 1 . LYS 288 288 50193 1 . LEU 289 289 50193 1 . VAL 290 290 50193 1 . TRP 291 291 50193 1 . GLU 292 292 50193 1 . ASN 293 293 50193 1 . ALA 294 294 50193 1 . GLN 295 295 50193 1 . GLU 296 296 50193 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50193 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMTLPPELSIIEIPFDDVE TRSYEFIEVEIKGRGKAKLG KREFAWIPESGKYWADE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 323-379 _Entity.Polymer_author_seq_details ; Karuna Dixit, N. Megha Karanth, Smita Nair, Khushboo Kumari, Kalyan S. Chakraborti, H.S. Savithri, and Siddhartha P Sarma. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 323 GLY . 50193 2 2 324 SER . 50193 2 3 325 MET . 50193 2 4 326 THR . 50193 2 5 327 LEU . 50193 2 6 328 PRO . 50193 2 7 329 PRO . 50193 2 8 330 GLU . 50193 2 9 331 LEU . 50193 2 10 332 SER . 50193 2 11 333 ILE . 50193 2 12 334 ILE . 50193 2 13 335 GLU . 50193 2 14 336 ILE . 50193 2 15 337 PRO . 50193 2 16 338 PHE . 50193 2 17 339 ASP . 50193 2 18 340 ASP . 50193 2 19 341 VAL . 50193 2 20 342 GLU . 50193 2 21 343 THR . 50193 2 22 344 ARG . 50193 2 23 345 SER . 50193 2 24 346 TYR . 50193 2 25 347 GLU . 50193 2 26 348 PHE . 50193 2 27 349 ILE . 50193 2 28 350 GLU . 50193 2 29 351 VAL . 50193 2 30 352 GLU . 50193 2 31 353 ILE . 50193 2 32 354 LYS . 50193 2 33 355 GLY . 50193 2 34 356 ARG . 50193 2 35 357 GLY . 50193 2 36 358 LYS . 50193 2 37 359 ALA . 50193 2 38 360 LYS . 50193 2 39 361 LEU . 50193 2 40 362 GLY . 50193 2 41 363 LYS . 50193 2 42 364 ARG . 50193 2 43 365 GLU . 50193 2 44 366 PHE . 50193 2 45 367 ALA . 50193 2 46 368 TRP . 50193 2 47 369 ILE . 50193 2 48 370 PRO . 50193 2 49 371 GLU . 50193 2 50 372 SER . 50193 2 51 373 GLY . 50193 2 52 374 LYS . 50193 2 53 375 TYR . 50193 2 54 376 TRP . 50193 2 55 377 ALA . 50193 2 56 378 ASP . 50193 2 57 379 GLU . 50193 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 . GLY 1 1 50193 2 . SER 2 2 50193 2 . MET 3 3 50193 2 . THR 4 4 50193 2 . LEU 5 5 50193 2 . PRO 6 6 50193 2 . PRO 7 7 50193 2 . GLU 8 8 50193 2 . LEU 9 9 50193 2 . SER 10 10 50193 2 . ILE 11 11 50193 2 . ILE 12 12 50193 2 . GLU 13 13 50193 2 . ILE 14 14 50193 2 . PRO 15 15 50193 2 . PHE 16 16 50193 2 . ASP 17 17 50193 2 . ASP 18 18 50193 2 . VAL 19 19 50193 2 . GLU 20 20 50193 2 . THR 21 21 50193 2 . ARG 22 22 50193 2 . SER 23 23 50193 2 . TYR 24 24 50193 2 . GLU 25 25 50193 2 . PHE 26 26 50193 2 . ILE 27 27 50193 2 . GLU 28 28 50193 2 . VAL 29 29 50193 2 . GLU 30 30 50193 2 . ILE 31 31 50193 2 . LYS 32 32 50193 2 . GLY 33 33 50193 2 . ARG 34 34 50193 2 . GLY 35 35 50193 2 . LYS 36 36 50193 2 . ALA 37 37 50193 2 . LYS 38 38 50193 2 . LEU 39 39 50193 2 . GLY 40 40 50193 2 . LYS 41 41 50193 2 . ARG 42 42 50193 2 . GLU 43 43 50193 2 . PHE 44 44 50193 2 . ALA 45 45 50193 2 . TRP 46 46 50193 2 . ILE 47 47 50193 2 . PRO 48 48 50193 2 . GLU 49 49 50193 2 . SER 50 50 50193 2 . GLY 51 51 50193 2 . LYS 52 52 50193 2 . TYR 53 53 50193 2 . TRP 54 54 50193 2 . ALA 55 55 50193 2 . ASP 56 56 50193 2 . GLU 57 57 50193 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50193 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . 50193 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . 50193 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50193 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pLysS . . plasmid . . pRSET . . . 50193 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET21a . . . 50193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50193 _Sample.ID 1 _Sample.Name provpg _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-2H, 15N, 13C-provpg selectively labeled ILV' _Sample.Aggregate_sample_number 1 _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 entity_1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.3 0.25 0.35 mM 0.02 . . . 50193 1 2 entity_2 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 2 $entity_2 . . 0.3 0.25 0.35 mM 0.01 . . . 50193 1 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 50193 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50193 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50193 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 50193 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 50193 _Sample_condition_list.ID 1 _Sample_condition_list.Name '20 mM potassium phosphate buffer, pH 7.0, containing 50 mM NaCl, 1 mM EDTA, and 0.01% sodium azide.' _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' 0.065 . M 50193 1 pH 7 . pH 50193 1 pressure 1 . atm 50193 1 temperature 298 . K 50193 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50193 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50193 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50193 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50193 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50193 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50193 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50193 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50193 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50193 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50193 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600 MHz' _NMR_spectrometer.Details 'HCN probe' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50193 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 700 MHz' _NMR_spectrometer.Details 'cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50193 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50193 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50193 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect 0.251449530 . . . . . 50193 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50193 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132911 . . . . . 50193 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50193 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name VPg _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50193 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 3 3 MET C C 13 176.068 0.000 . 1 . . . . . 325 MET C . 50193 1 2 . 2 . 2 3 3 MET CA C 13 55.056 0.032 . 1 . . . . . 325 MET CA . 50193 1 3 . 2 . 2 4 4 THR H H 1 8.145 0.002 . 1 . . . . . 326 THR H . 50193 1 4 . 2 . 2 4 4 THR C C 13 172.732 0.000 . 1 . . . . . 326 THR C . 50193 1 5 . 2 . 2 4 4 THR CA C 13 61.547 0.061 . 1 . . . . . 326 THR CA . 50193 1 6 . 2 . 2 4 4 THR CB C 13 69.307 0.013 . 1 . . . . . 326 THR CB . 50193 1 7 . 2 . 2 4 4 THR N N 15 117.831 0.055 . 1 . . . . . 326 THR N . 50193 1 8 . 2 . 2 5 5 LEU H H 1 7.955 0.006 . 1 . . . . . 327 LEU H . 50193 1 9 . 2 . 2 5 5 LEU CA C 13 51.679 0.000 . 1 . . . . . 327 LEU CA . 50193 1 10 . 2 . 2 5 5 LEU CB C 13 42.603 0.000 . 1 . . . . . 327 LEU CB . 50193 1 11 . 2 . 2 5 5 LEU N N 15 124.417 0.026 . 1 . . . . . 327 LEU N . 50193 1 12 . 2 . 2 7 7 PRO C C 13 177.583 0.000 . 1 . . . . . 329 PRO C . 50193 1 13 . 2 . 2 7 7 PRO CA C 13 63.369 0.000 . 1 . . . . . 329 PRO CA . 50193 1 14 . 2 . 2 7 7 PRO CB C 13 31.001 0.000 . 1 . . . . . 329 PRO CB . 50193 1 15 . 2 . 2 8 8 GLU H H 1 8.741 0.014 . 1 . . . . . 330 GLU H . 50193 1 16 . 2 . 2 8 8 GLU CA C 13 56.920 0.000 . 1 . . . . . 330 GLU CA . 50193 1 17 . 2 . 2 8 8 GLU CB C 13 28.762 0.056 . 1 . . . . . 330 GLU CB . 50193 1 18 . 2 . 2 8 8 GLU N N 15 119.710 0.086 . 1 . . . . . 330 GLU N . 50193 1 19 . 2 . 2 9 9 LEU C C 13 176.661 0.000 . 1 . . . . . 331 LEU C . 50193 1 20 . 2 . 2 9 9 LEU CA C 13 53.975 0.035 . 1 . . . . . 331 LEU CA . 50193 1 21 . 2 . 2 9 9 LEU CB C 13 41.986 0.007 . 1 . . . . . 331 LEU CB . 50193 1 22 . 2 . 2 10 10 SER H H 1 7.748 0.011 . 1 . . . . . 332 SER H . 50193 1 23 . 2 . 2 10 10 SER CA C 13 58.179 0.020 . 1 . . . . . 332 SER CA . 50193 1 24 . 2 . 2 10 10 SER CB C 13 63.069 0.059 . 1 . . . . . 332 SER CB . 50193 1 25 . 2 . 2 10 10 SER N N 15 116.907 0.102 . 1 . . . . . 332 SER N . 50193 1 26 . 2 . 2 11 11 ILE HD11 H 1 0.791 0.010 . 1 . . . . . 333 ILE HD11 . 50193 1 27 . 2 . 2 11 11 ILE HD12 H 1 0.791 0.010 . 1 . . . . . 333 ILE HD12 . 50193 1 28 . 2 . 2 11 11 ILE HD13 H 1 0.791 0.010 . 1 . . . . . 333 ILE HD13 . 50193 1 29 . 2 . 2 11 11 ILE C C 13 174.872 0.000 . 1 . . . . . 333 ILE C . 50193 1 30 . 2 . 2 11 11 ILE CA C 13 57.364 0.000 . 1 . . . . . 333 ILE CA . 50193 1 31 . 2 . 2 11 11 ILE CD1 C 13 12.634 0.074 . 1 . . . . . 333 ILE CD1 . 50193 1 32 . 2 . 2 12 12 ILE H H 1 7.534 0.009 . 1 . . . . . 334 ILE H . 50193 1 33 . 2 . 2 12 12 ILE HD11 H 1 0.797 0.004 . 1 . . . . . 334 ILE HD11 . 50193 1 34 . 2 . 2 12 12 ILE HD12 H 1 0.797 0.004 . 1 . . . . . 334 ILE HD12 . 50193 1 35 . 2 . 2 12 12 ILE HD13 H 1 0.797 0.004 . 1 . . . . . 334 ILE HD13 . 50193 1 36 . 2 . 2 12 12 ILE C C 13 173.674 0.000 . 1 . . . . . 334 ILE C . 50193 1 37 . 2 . 2 12 12 ILE CA C 13 58.970 0.022 . 1 . . . . . 334 ILE CA . 50193 1 38 . 2 . 2 12 12 ILE CB C 13 40.019 0.096 . 1 . . . . . 334 ILE CB . 50193 1 39 . 2 . 2 12 12 ILE CD1 C 13 14.215 0.037 . 1 . . . . . 334 ILE CD1 . 50193 1 40 . 2 . 2 12 12 ILE N N 15 123.750 0.078 . 1 . . . . . 334 ILE N . 50193 1 41 . 2 . 2 13 13 GLU H H 1 8.001 0.006 . 1 . . . . . 335 GLU H . 50193 1 42 . 2 . 2 13 13 GLU C C 13 176.416 0.000 . 1 . . . . . 335 GLU C . 50193 1 43 . 2 . 2 13 13 GLU CA C 13 53.966 0.010 . 1 . . . . . 335 GLU CA . 50193 1 44 . 2 . 2 13 13 GLU CB C 13 28.591 0.035 . 1 . . . . . 335 GLU CB . 50193 1 45 . 2 . 2 13 13 GLU N N 15 126.266 0.101 . 1 . . . . . 335 GLU N . 50193 1 46 . 2 . 2 14 14 ILE H H 1 8.616 0.008 . 1 . . . . . 336 ILE H . 50193 1 47 . 2 . 2 14 14 ILE HD11 H 1 0.751 0.009 . 1 . . . . . 336 ILE HD11 . 50193 1 48 . 2 . 2 14 14 ILE HD12 H 1 0.751 0.009 . 1 . . . . . 336 ILE HD12 . 50193 1 49 . 2 . 2 14 14 ILE HD13 H 1 0.751 0.009 . 1 . . . . . 336 ILE HD13 . 50193 1 50 . 2 . 2 14 14 ILE CA C 13 57.449 0.000 . 1 . . . . . 336 ILE CA . 50193 1 51 . 2 . 2 14 14 ILE CB C 13 37.630 0.000 . 1 . . . . . 336 ILE CB . 50193 1 52 . 2 . 2 14 14 ILE CD1 C 13 12.592 0.028 . 1 . . . . . 336 ILE CD1 . 50193 1 53 . 2 . 2 14 14 ILE N N 15 123.976 0.129 . 1 . . . . . 336 ILE N . 50193 1 54 . 2 . 2 15 15 PRO C C 13 178.407 0.000 . 1 . . . . . 337 PRO C . 50193 1 55 . 2 . 2 15 15 PRO CA C 13 61.793 0.002 . 1 . . . . . 337 PRO CA . 50193 1 56 . 2 . 2 15 15 PRO CB C 13 31.254 0.032 . 1 . . . . . 337 PRO CB . 50193 1 57 . 2 . 2 16 16 PHE H H 1 8.778 0.007 . 1 . . . . . 338 PHE H . 50193 1 58 . 2 . 2 16 16 PHE C C 13 177.853 0.000 . 1 . . . . . 338 PHE C . 50193 1 59 . 2 . 2 16 16 PHE CA C 13 61.197 0.054 . 1 . . . . . 338 PHE CA . 50193 1 60 . 2 . 2 16 16 PHE CB C 13 37.932 0.000 . 1 . . . . . 338 PHE CB . 50193 1 61 . 2 . 2 16 16 PHE N N 15 124.671 0.128 . 1 . . . . . 338 PHE N . 50193 1 62 . 2 . 2 17 17 ASP H H 1 8.661 0.019 . 1 . . . . . 339 ASP H . 50193 1 63 . 2 . 2 17 17 ASP C C 13 176.374 0.000 . 1 . . . . . 339 ASP C . 50193 1 64 . 2 . 2 17 17 ASP CA C 13 55.864 0.011 . 1 . . . . . 339 ASP CA . 50193 1 65 . 2 . 2 17 17 ASP CB C 13 39.532 0.000 . 1 . . . . . 339 ASP CB . 50193 1 66 . 2 . 2 17 17 ASP N N 15 116.457 0.130 . 1 . . . . . 339 ASP N . 50193 1 67 . 2 . 2 18 18 ASP H H 1 7.413 0.015 . 1 . . . . . 340 ASP H . 50193 1 68 . 2 . 2 18 18 ASP C C 13 178.894 0.000 . 1 . . . . . 340 ASP C . 50193 1 69 . 2 . 2 18 18 ASP CA C 13 54.593 0.021 . 1 . . . . . 340 ASP CA . 50193 1 70 . 2 . 2 18 18 ASP CB C 13 39.976 0.000 . 1 . . . . . 340 ASP CB . 50193 1 71 . 2 . 2 18 18 ASP N N 15 117.048 0.122 . 1 . . . . . 340 ASP N . 50193 1 72 . 2 . 2 19 19 VAL H H 1 7.301 0.013 . 1 . . . . . 341 VAL H . 50193 1 73 . 2 . 2 19 19 VAL HG11 H 1 -0.243 0.014 . 2 . . . . . 341 VAL HG11 . 50193 1 74 . 2 . 2 19 19 VAL HG12 H 1 -0.243 0.014 . 2 . . . . . 341 VAL HG12 . 50193 1 75 . 2 . 2 19 19 VAL HG13 H 1 -0.243 0.014 . 2 . . . . . 341 VAL HG13 . 50193 1 76 . 2 . 2 19 19 VAL HG21 H 1 0.884 0.009 . 2 . . . . . 341 VAL HG21 . 50193 1 77 . 2 . 2 19 19 VAL HG22 H 1 0.884 0.009 . 2 . . . . . 341 VAL HG22 . 50193 1 78 . 2 . 2 19 19 VAL HG23 H 1 0.884 0.009 . 2 . . . . . 341 VAL HG23 . 50193 1 79 . 2 . 2 19 19 VAL C C 13 178.290 0.000 . 1 . . . . . 341 VAL C . 50193 1 80 . 2 . 2 19 19 VAL CA C 13 65.799 0.032 . 1 . . . . . 341 VAL CA . 50193 1 81 . 2 . 2 19 19 VAL CB C 13 29.104 0.000 . 1 . . . . . 341 VAL CB . 50193 1 82 . 2 . 2 19 19 VAL CG1 C 13 22.404 0.009 . 2 . . . . . 341 VAL CG1 . 50193 1 83 . 2 . 2 19 19 VAL CG2 C 13 20.939 0.000 . 2 . . . . . 341 VAL CG2 . 50193 1 84 . 2 . 2 19 19 VAL N N 15 123.220 0.113 . 1 . . . . . 341 VAL N . 50193 1 85 . 2 . 2 20 20 GLU H H 1 7.491 0.014 . 1 . . . . . 342 GLU H . 50193 1 86 . 2 . 2 20 20 GLU C C 13 176.271 0.000 . 1 . . . . . 342 GLU C . 50193 1 87 . 2 . 2 20 20 GLU CA C 13 57.336 0.010 . 1 . . . . . 342 GLU CA . 50193 1 88 . 2 . 2 20 20 GLU CB C 13 28.055 0.000 . 1 . . . . . 342 GLU CB . 50193 1 89 . 2 . 2 20 20 GLU N N 15 116.147 0.141 . 1 . . . . . 342 GLU N . 50193 1 90 . 2 . 2 21 21 THR H H 1 7.145 0.017 . 1 . . . . . 343 THR H . 50193 1 91 . 2 . 2 21 21 THR C C 13 175.556 0.000 . 1 . . . . . 343 THR C . 50193 1 92 . 2 . 2 21 21 THR CA C 13 61.767 0.020 . 1 . . . . . 343 THR CA . 50193 1 93 . 2 . 2 21 21 THR CB C 13 68.865 0.000 . 1 . . . . . 343 THR CB . 50193 1 94 . 2 . 2 21 21 THR N N 15 108.455 0.111 . 1 . . . . . 343 THR N . 50193 1 95 . 2 . 2 22 22 ARG H H 1 7.154 0.013 . 1 . . . . . 344 ARG H . 50193 1 96 . 2 . 2 22 22 ARG CA C 13 54.543 0.000 . 1 . . . . . 344 ARG CA . 50193 1 97 . 2 . 2 22 22 ARG CB C 13 30.026 0.000 . 1 . . . . . 344 ARG CB . 50193 1 98 . 2 . 2 22 22 ARG N N 15 121.826 0.127 . 1 . . . . . 344 ARG N . 50193 1 99 . 2 . 2 23 23 SER H H 1 8.557 0.000 . 1 . . . . . 345 SER H . 50193 1 100 . 2 . 2 23 23 SER C C 13 173.078 0.000 . 1 . . . . . 345 SER C . 50193 1 101 . 2 . 2 23 23 SER CA C 13 58.837 0.000 . 1 . . . . . 345 SER CA . 50193 1 102 . 2 . 2 23 23 SER N N 15 114.549 0.000 . 1 . . . . . 345 SER N . 50193 1 103 . 2 . 2 24 24 TYR H H 1 6.973 0.012 . 1 . . . . . 346 TYR H . 50193 1 104 . 2 . 2 24 24 TYR C C 13 173.255 0.000 . 1 . . . . . 346 TYR C . 50193 1 105 . 2 . 2 24 24 TYR CA C 13 54.881 0.038 . 1 . . . . . 346 TYR CA . 50193 1 106 . 2 . 2 24 24 TYR CB C 13 39.025 0.000 . 1 . . . . . 346 TYR CB . 50193 1 107 . 2 . 2 24 24 TYR N N 15 117.382 0.110 . 1 . . . . . 346 TYR N . 50193 1 108 . 2 . 2 25 25 GLU H H 1 8.457 0.016 . 1 . . . . . 347 GLU H . 50193 1 109 . 2 . 2 25 25 GLU N N 15 121.144 0.118 . 1 . . . . . 347 GLU N . 50193 1 110 . 2 . 2 26 26 PHE H H 1 8.200 0.001 . 1 . . . . . 348 PHE H . 50193 1 111 . 2 . 2 26 26 PHE C C 13 175.944 0.000 . 1 . . . . . 348 PHE C . 50193 1 112 . 2 . 2 26 26 PHE CA C 13 56.182 0.037 . 1 . . . . . 348 PHE CA . 50193 1 113 . 2 . 2 26 26 PHE N N 15 121.268 0.000 . 1 . . . . . 348 PHE N . 50193 1 114 . 2 . 2 27 27 ILE H H 1 9.163 0.012 . 1 . . . . . 349 ILE H . 50193 1 115 . 2 . 2 27 27 ILE HD11 H 1 0.528 0.013 . 1 . . . . . 349 ILE HD11 . 50193 1 116 . 2 . 2 27 27 ILE HD12 H 1 0.528 0.013 . 1 . . . . . 349 ILE HD12 . 50193 1 117 . 2 . 2 27 27 ILE HD13 H 1 0.528 0.013 . 1 . . . . . 349 ILE HD13 . 50193 1 118 . 2 . 2 27 27 ILE C C 13 175.765 0.000 . 1 . . . . . 349 ILE C . 50193 1 119 . 2 . 2 27 27 ILE CA C 13 59.880 0.003 . 1 . . . . . 349 ILE CA . 50193 1 120 . 2 . 2 27 27 ILE CB C 13 38.941 0.000 . 1 . . . . . 349 ILE CB . 50193 1 121 . 2 . 2 27 27 ILE CD1 C 13 17.774 0.024 . 1 . . . . . 349 ILE CD1 . 50193 1 122 . 2 . 2 27 27 ILE N N 15 122.055 0.088 . 1 . . . . . 349 ILE N . 50193 1 123 . 2 . 2 28 28 GLU H H 1 8.830 0.011 . 1 . . . . . 350 GLU H . 50193 1 124 . 2 . 2 28 28 GLU C C 13 175.429 0.000 . 1 . . . . . 350 GLU C . 50193 1 125 . 2 . 2 28 28 GLU CA C 13 55.785 0.019 . 1 . . . . . 350 GLU CA . 50193 1 126 . 2 . 2 28 28 GLU CB C 13 29.873 0.091 . 1 . . . . . 350 GLU CB . 50193 1 127 . 2 . 2 28 28 GLU N N 15 129.962 0.129 . 1 . . . . . 350 GLU N . 50193 1 128 . 2 . 2 29 29 VAL H H 1 8.925 0.013 . 1 . . . . . 351 VAL H . 50193 1 129 . 2 . 2 29 29 VAL HG11 H 1 0.377 0.003 . 2 . . . . . 351 VAL HG11 . 50193 1 130 . 2 . 2 29 29 VAL HG12 H 1 0.377 0.003 . 2 . . . . . 351 VAL HG12 . 50193 1 131 . 2 . 2 29 29 VAL HG13 H 1 0.377 0.003 . 2 . . . . . 351 VAL HG13 . 50193 1 132 . 2 . 2 29 29 VAL HG21 H 1 0.645 0.015 . 2 . . . . . 351 VAL HG21 . 50193 1 133 . 2 . 2 29 29 VAL HG22 H 1 0.645 0.015 . 2 . . . . . 351 VAL HG22 . 50193 1 134 . 2 . 2 29 29 VAL HG23 H 1 0.645 0.015 . 2 . . . . . 351 VAL HG23 . 50193 1 135 . 2 . 2 29 29 VAL C C 13 173.976 0.000 . 1 . . . . . 351 VAL C . 50193 1 136 . 2 . 2 29 29 VAL CA C 13 58.285 0.012 . 1 . . . . . 351 VAL CA . 50193 1 137 . 2 . 2 29 29 VAL CB C 13 34.990 0.000 . 1 . . . . . 351 VAL CB . 50193 1 138 . 2 . 2 29 29 VAL CG1 C 13 23.167 0.051 . 2 . . . . . 351 VAL CG1 . 50193 1 139 . 2 . 2 29 29 VAL CG2 C 13 20.664 0.067 . 2 . . . . . 351 VAL CG2 . 50193 1 140 . 2 . 2 29 29 VAL N N 15 118.972 0.130 . 1 . . . . . 351 VAL N . 50193 1 141 . 2 . 2 30 30 GLU H H 1 9.585 0.015 . 1 . . . . . 352 GLU H . 50193 1 142 . 2 . 2 30 30 GLU C C 13 175.313 0.000 . 1 . . . . . 352 GLU C . 50193 1 143 . 2 . 2 30 30 GLU CA C 13 55.505 0.018 . 1 . . . . . 352 GLU CA . 50193 1 144 . 2 . 2 30 30 GLU CB C 13 31.042 0.000 . 1 . . . . . 352 GLU CB . 50193 1 145 . 2 . 2 30 30 GLU N N 15 123.103 0.104 . 1 . . . . . 352 GLU N . 50193 1 146 . 2 . 2 31 31 ILE H H 1 8.896 0.008 . 1 . . . . . 353 ILE H . 50193 1 147 . 2 . 2 31 31 ILE HD11 H 1 0.443 0.013 . 1 . . . . . 353 ILE HD11 . 50193 1 148 . 2 . 2 31 31 ILE HD12 H 1 0.443 0.013 . 1 . . . . . 353 ILE HD12 . 50193 1 149 . 2 . 2 31 31 ILE HD13 H 1 0.443 0.013 . 1 . . . . . 353 ILE HD13 . 50193 1 150 . 2 . 2 31 31 ILE C C 13 176.854 0.000 . 1 . . . . . 353 ILE C . 50193 1 151 . 2 . 2 31 31 ILE CA C 13 58.523 0.016 . 1 . . . . . 353 ILE CA . 50193 1 152 . 2 . 2 31 31 ILE CB C 13 37.924 0.000 . 1 . . . . . 353 ILE CB . 50193 1 153 . 2 . 2 31 31 ILE CD1 C 13 12.468 0.028 . 1 . . . . . 353 ILE CD1 . 50193 1 154 . 2 . 2 31 31 ILE N N 15 128.937 0.105 . 1 . . . . . 353 ILE N . 50193 1 155 . 2 . 2 32 32 LYS H H 1 8.999 0.011 . 1 . . . . . 354 LYS H . 50193 1 156 . 2 . 2 32 32 LYS C C 13 176.934 0.033 . 1 . . . . . 354 LYS C . 50193 1 157 . 2 . 2 32 32 LYS CA C 13 58.048 0.002 . 1 . . . . . 354 LYS CA . 50193 1 158 . 2 . 2 32 32 LYS CB C 13 30.191 0.000 . 1 . . . . . 354 LYS CB . 50193 1 159 . 2 . 2 32 32 LYS N N 15 132.884 0.091 . 1 . . . . . 354 LYS N . 50193 1 160 . 2 . 2 33 33 GLY H H 1 8.502 0.020 . 1 . . . . . 355 GLY H . 50193 1 161 . 2 . 2 33 33 GLY C C 13 174.806 0.000 . 1 . . . . . 355 GLY C . 50193 1 162 . 2 . 2 33 33 GLY CA C 13 44.332 0.025 . 1 . . . . . 355 GLY CA . 50193 1 163 . 2 . 2 33 33 GLY N N 15 112.665 0.124 . 1 . . . . . 355 GLY N . 50193 1 164 . 2 . 2 34 34 ARG H H 1 8.256 0.017 . 1 . . . . . 356 ARG H . 50193 1 165 . 2 . 2 34 34 ARG C C 13 174.713 0.000 . 1 . . . . . 356 ARG C . 50193 1 166 . 2 . 2 34 34 ARG CA C 13 55.413 0.046 . 1 . . . . . 356 ARG CA . 50193 1 167 . 2 . 2 34 34 ARG CB C 13 32.587 0.000 . 1 . . . . . 356 ARG CB . 50193 1 168 . 2 . 2 34 34 ARG N N 15 118.962 0.077 . 1 . . . . . 356 ARG N . 50193 1 169 . 2 . 2 35 35 GLY H H 1 8.736 0.014 . 1 . . . . . 357 GLY H . 50193 1 170 . 2 . 2 35 35 GLY C C 13 171.885 0.000 . 1 . . . . . 357 GLY C . 50193 1 171 . 2 . 2 35 35 GLY CA C 13 44.710 0.062 . 1 . . . . . 357 GLY CA . 50193 1 172 . 2 . 2 35 35 GLY N N 15 107.673 0.091 . 1 . . . . . 357 GLY N . 50193 1 173 . 2 . 2 36 36 LYS H H 1 8.901 0.013 . 1 . . . . . 358 LYS H . 50193 1 174 . 2 . 2 36 36 LYS C C 13 175.205 0.000 . 1 . . . . . 358 LYS C . 50193 1 175 . 2 . 2 36 36 LYS CA C 13 55.373 0.040 . 1 . . . . . 358 LYS CA . 50193 1 176 . 2 . 2 36 36 LYS CB C 13 34.600 0.070 . 1 . . . . . 358 LYS CB . 50193 1 177 . 2 . 2 36 36 LYS N N 15 120.546 0.107 . 1 . . . . . 358 LYS N . 50193 1 178 . 2 . 2 37 37 ALA H H 1 8.816 0.012 . 1 . . . . . 359 ALA H . 50193 1 179 . 2 . 2 37 37 ALA C C 13 175.427 0.000 . 1 . . . . . 359 ALA C . 50193 1 180 . 2 . 2 37 37 ALA CA C 13 50.064 0.084 . 1 . . . . . 359 ALA CA . 50193 1 181 . 2 . 2 37 37 ALA CB C 13 21.705 0.000 . 1 . . . . . 359 ALA CB . 50193 1 182 . 2 . 2 37 37 ALA N N 15 123.146 0.123 . 1 . . . . . 359 ALA N . 50193 1 183 . 2 . 2 38 38 LYS H H 1 9.145 0.011 . 1 . . . . . 360 LYS H . 50193 1 184 . 2 . 2 38 38 LYS C C 13 175.293 0.000 . 1 . . . . . 360 LYS C . 50193 1 185 . 2 . 2 38 38 LYS CA C 13 53.244 0.021 . 1 . . . . . 360 LYS CA . 50193 1 186 . 2 . 2 38 38 LYS CB C 13 33.823 0.000 . 1 . . . . . 360 LYS CB . 50193 1 187 . 2 . 2 38 38 LYS N N 15 118.069 0.079 . 1 . . . . . 360 LYS N . 50193 1 188 . 2 . 2 39 39 LEU H H 1 9.773 0.013 . 1 . . . . . 361 LEU H . 50193 1 189 . 2 . 2 39 39 LEU HD11 H 1 -0.110 0.013 . 2 . . . . . 361 LEU HD11 . 50193 1 190 . 2 . 2 39 39 LEU HD12 H 1 -0.110 0.013 . 2 . . . . . 361 LEU HD12 . 50193 1 191 . 2 . 2 39 39 LEU HD13 H 1 -0.110 0.013 . 2 . . . . . 361 LEU HD13 . 50193 1 192 . 2 . 2 39 39 LEU HD21 H 1 -0.086 0.010 . 2 . . . . . 361 LEU HD21 . 50193 1 193 . 2 . 2 39 39 LEU HD22 H 1 -0.086 0.010 . 2 . . . . . 361 LEU HD22 . 50193 1 194 . 2 . 2 39 39 LEU HD23 H 1 -0.086 0.010 . 2 . . . . . 361 LEU HD23 . 50193 1 195 . 2 . 2 39 39 LEU C C 13 175.374 0.000 . 1 . . . . . 361 LEU C . 50193 1 196 . 2 . 2 39 39 LEU CA C 13 54.453 0.048 . 1 . . . . . 361 LEU CA . 50193 1 197 . 2 . 2 39 39 LEU CB C 13 41.034 0.073 . 1 . . . . . 361 LEU CB . 50193 1 198 . 2 . 2 39 39 LEU CD1 C 13 20.390 0.012 . 2 . . . . . 361 LEU CD1 . 50193 1 199 . 2 . 2 39 39 LEU CD2 C 13 25.439 0.063 . 2 . . . . . 361 LEU CD2 . 50193 1 200 . 2 . 2 39 39 LEU N N 15 123.713 0.112 . 1 . . . . . 361 LEU N . 50193 1 201 . 2 . 2 40 40 GLY H H 1 8.555 0.014 . 1 . . . . . 362 GLY H . 50193 1 202 . 2 . 2 40 40 GLY C C 13 173.499 0.000 . 1 . . . . . 362 GLY C . 50193 1 203 . 2 . 2 40 40 GLY CA C 13 42.027 0.027 . 1 . . . . . 362 GLY CA . 50193 1 204 . 2 . 2 40 40 GLY N N 15 114.486 0.116 . 1 . . . . . 362 GLY N . 50193 1 205 . 2 . 2 41 41 LYS H H 1 8.295 0.006 . 1 . . . . . 363 LYS H . 50193 1 206 . 2 . 2 41 41 LYS CA C 13 60.404 0.000 . 1 . . . . . 363 LYS CA . 50193 1 207 . 2 . 2 41 41 LYS N N 15 120.583 0.048 . 1 . . . . . 363 LYS N . 50193 1 208 . 2 . 2 42 42 ARG C C 13 173.886 0.000 . 1 . . . . . 364 ARG C . 50193 1 209 . 2 . 2 42 42 ARG CA C 13 54.742 0.000 . 1 . . . . . 364 ARG CA . 50193 1 210 . 2 . 2 43 43 GLU H H 1 6.840 0.010 . 1 . . . . . 365 GLU H . 50193 1 211 . 2 . 2 43 43 GLU C C 13 175.149 0.000 . 1 . . . . . 365 GLU C . 50193 1 212 . 2 . 2 43 43 GLU CA C 13 53.400 0.044 . 1 . . . . . 365 GLU CA . 50193 1 213 . 2 . 2 43 43 GLU N N 15 115.654 0.116 . 1 . . . . . 365 GLU N . 50193 1 214 . 2 . 2 44 44 PHE H H 1 8.123 0.009 . 1 . . . . . 366 PHE H . 50193 1 215 . 2 . 2 44 44 PHE C C 13 170.317 0.000 . 1 . . . . . 366 PHE C . 50193 1 216 . 2 . 2 44 44 PHE CA C 13 56.293 0.036 . 1 . . . . . 366 PHE CA . 50193 1 217 . 2 . 2 44 44 PHE CB C 13 41.628 0.073 . 1 . . . . . 366 PHE CB . 50193 1 218 . 2 . 2 44 44 PHE N N 15 115.589 0.134 . 1 . . . . . 366 PHE N . 50193 1 219 . 2 . 2 45 45 ALA H H 1 8.778 0.005 . 1 . . . . . 367 ALA H . 50193 1 220 . 2 . 2 45 45 ALA C C 13 177.059 0.000 . 1 . . . . . 367 ALA C . 50193 1 221 . 2 . 2 45 45 ALA CA C 13 50.403 0.082 . 1 . . . . . 367 ALA CA . 50193 1 222 . 2 . 2 45 45 ALA CB C 13 23.949 0.025 . 1 . . . . . 367 ALA CB . 50193 1 223 . 2 . 2 45 45 ALA N N 15 120.400 0.117 . 1 . . . . . 367 ALA N . 50193 1 224 . 2 . 2 46 46 TRP H H 1 8.744 0.013 . 1 . . . . . 368 TRP H . 50193 1 225 . 2 . 2 46 46 TRP HE1 H 1 10.486 0.019 . 1 . . . . . 368 TRP HE1 . 50193 1 226 . 2 . 2 46 46 TRP C C 13 176.762 0.000 . 1 . . . . . 368 TRP C . 50193 1 227 . 2 . 2 46 46 TRP CA C 13 56.466 0.006 . 1 . . . . . 368 TRP CA . 50193 1 228 . 2 . 2 46 46 TRP CB C 13 29.930 0.000 . 1 . . . . . 368 TRP CB . 50193 1 229 . 2 . 2 46 46 TRP N N 15 122.461 0.096 . 1 . . . . . 368 TRP N . 50193 1 230 . 2 . 2 46 46 TRP NE1 N 15 129.726 0.130 . 1 . . . . . 368 TRP NE1 . 50193 1 231 . 2 . 2 47 47 ILE H H 1 8.727 0.015 . 1 . . . . . 369 ILE H . 50193 1 232 . 2 . 2 47 47 ILE HD11 H 1 0.512 0.011 . 1 . . . . . 369 ILE HD11 . 50193 1 233 . 2 . 2 47 47 ILE HD12 H 1 0.512 0.011 . 1 . . . . . 369 ILE HD12 . 50193 1 234 . 2 . 2 47 47 ILE HD13 H 1 0.512 0.011 . 1 . . . . . 369 ILE HD13 . 50193 1 235 . 2 . 2 47 47 ILE CA C 13 58.852 0.000 . 1 . . . . . 369 ILE CA . 50193 1 236 . 2 . 2 47 47 ILE CB C 13 37.072 0.000 . 1 . . . . . 369 ILE CB . 50193 1 237 . 2 . 2 47 47 ILE CD1 C 13 13.528 0.000 . 1 . . . . . 369 ILE CD1 . 50193 1 238 . 2 . 2 47 47 ILE N N 15 124.972 0.144 . 1 . . . . . 369 ILE N . 50193 1 239 . 2 . 2 48 48 PRO C C 13 176.656 0.000 . 1 . . . . . 370 PRO C . 50193 1 240 . 2 . 2 48 48 PRO CA C 13 62.480 0.003 . 1 . . . . . 370 PRO CA . 50193 1 241 . 2 . 2 48 48 PRO CB C 13 31.155 0.023 . 1 . . . . . 370 PRO CB . 50193 1 242 . 2 . 2 49 49 GLU H H 1 8.445 0.010 . 1 . . . . . 371 GLU H . 50193 1 243 . 2 . 2 49 49 GLU C C 13 176.573 0.000 . 1 . . . . . 371 GLU C . 50193 1 244 . 2 . 2 49 49 GLU CA C 13 56.189 0.031 . 1 . . . . . 371 GLU CA . 50193 1 245 . 2 . 2 49 49 GLU CB C 13 29.266 0.110 . 1 . . . . . 371 GLU CB . 50193 1 246 . 2 . 2 49 49 GLU N N 15 121.983 0.087 . 1 . . . . . 371 GLU N . 50193 1 247 . 2 . 2 50 50 SER H H 1 8.172 0.007 . 1 . . . . . 372 SER H . 50193 1 248 . 2 . 2 50 50 SER C C 13 176.906 0.000 . 1 . . . . . 372 SER C . 50193 1 249 . 2 . 2 50 50 SER CA C 13 58.121 0.035 . 1 . . . . . 372 SER CA . 50193 1 250 . 2 . 2 50 50 SER CB C 13 63.088 0.035 . 1 . . . . . 372 SER CB . 50193 1 251 . 2 . 2 50 50 SER N N 15 116.777 0.105 . 1 . . . . . 372 SER N . 50193 1 252 . 2 . 2 51 51 GLY H H 1 8.316 0.015 . 1 . . . . . 373 GLY H . 50193 1 253 . 2 . 2 51 51 GLY C C 13 173.821 0.000 . 1 . . . . . 373 GLY C . 50193 1 254 . 2 . 2 51 51 GLY CA C 13 44.928 0.081 . 1 . . . . . 373 GLY CA . 50193 1 255 . 2 . 2 51 51 GLY N N 15 111.140 0.113 . 1 . . . . . 373 GLY N . 50193 1 256 . 2 . 2 52 52 LYS H H 1 7.826 0.022 . 1 . . . . . 374 LYS H . 50193 1 257 . 2 . 2 52 52 LYS C C 13 175.988 0.000 . 1 . . . . . 374 LYS C . 50193 1 258 . 2 . 2 52 52 LYS CA C 13 55.650 0.049 . 1 . . . . . 374 LYS CA . 50193 1 259 . 2 . 2 52 52 LYS CB C 13 31.800 0.017 . 1 . . . . . 374 LYS CB . 50193 1 260 . 2 . 2 52 52 LYS N N 15 121.215 0.063 . 1 . . . . . 374 LYS N . 50193 1 261 . 2 . 2 53 53 TYR H H 1 7.868 0.017 . 1 . . . . . 375 TYR H . 50193 1 262 . 2 . 2 53 53 TYR C C 13 175.275 0.000 . 1 . . . . . 375 TYR C . 50193 1 263 . 2 . 2 53 53 TYR CA C 13 57.303 0.016 . 1 . . . . . 375 TYR CA . 50193 1 264 . 2 . 2 53 53 TYR CB C 13 37.715 0.023 . 1 . . . . . 375 TYR CB . 50193 1 265 . 2 . 2 53 53 TYR N N 15 121.681 0.082 . 1 . . . . . 375 TYR N . 50193 1 266 . 2 . 2 54 54 TRP H H 1 7.666 0.008 . 1 . . . . . 376 TRP H . 50193 1 267 . 2 . 2 54 54 TRP HE1 H 1 10.008 0.005 . 1 . . . . . 376 TRP HE1 . 50193 1 268 . 2 . 2 54 54 TRP C C 13 175.152 0.000 . 1 . . . . . 376 TRP C . 50193 1 269 . 2 . 2 54 54 TRP CA C 13 56.508 0.020 . 1 . . . . . 376 TRP CA . 50193 1 270 . 2 . 2 54 54 TRP CB C 13 28.946 0.008 . 1 . . . . . 376 TRP CB . 50193 1 271 . 2 . 2 54 54 TRP N N 15 123.188 0.080 . 1 . . . . . 376 TRP N . 50193 1 272 . 2 . 2 54 54 TRP NE1 N 15 130.031 0.124 . 1 . . . . . 376 TRP NE1 . 50193 1 273 . 2 . 2 55 55 ALA H H 1 7.634 0.005 . 1 . . . . . 377 ALA H . 50193 1 274 . 2 . 2 55 55 ALA C C 13 176.807 0.043 . 1 . . . . . 377 ALA C . 50193 1 275 . 2 . 2 55 55 ALA CA C 13 51.657 0.071 . 1 . . . . . 377 ALA CA . 50193 1 276 . 2 . 2 55 55 ALA CB C 13 18.746 0.000 . 1 . . . . . 377 ALA CB . 50193 1 277 . 2 . 2 55 55 ALA N N 15 125.510 0.072 . 1 . . . . . 377 ALA N . 50193 1 278 . 2 . 2 56 56 ASP H H 1 7.969 0.008 . 1 . . . . . 378 ASP H . 50193 1 279 . 2 . 2 56 56 ASP C C 13 175.101 0.000 . 1 . . . . . 378 ASP C . 50193 1 280 . 2 . 2 56 56 ASP CA C 13 53.963 0.044 . 1 . . . . . 378 ASP CA . 50193 1 281 . 2 . 2 56 56 ASP CB C 13 40.484 0.007 . 1 . . . . . 378 ASP CB . 50193 1 282 . 2 . 2 56 56 ASP N N 15 120.519 0.128 . 1 . . . . . 378 ASP N . 50193 1 283 . 2 . 2 57 57 GLU H H 1 7.668 0.006 . 1 . . . . . 379 GLU H . 50193 1 284 . 2 . 2 57 57 GLU CA C 13 57.466 0.000 . 1 . . . . . 379 GLU CA . 50193 1 285 . 2 . 2 57 57 GLU CB C 13 30.380 0.000 . 1 . . . . . 379 GLU CB . 50193 1 286 . 2 . 2 57 57 GLU N N 15 125.981 0.053 . 1 . . . . . 379 GLU N . 50193 1 stop_ save_