data_26957 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26957 _Entry.Title ; ICP4 DNA binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-24 _Entry.Accession_date 2016-11-24 _Entry.Last_release_date 2016-11-28 _Entry.Original_release_date 2016-11-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignment of the intrinsically disordered region of ICP4 DNA binding domain.' _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 Richard Tunnicliffe . B. . . 26957 2 Alexander Golovanov . P. . . 26957 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26957 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 34 26957 '1H chemical shifts' 73 26957 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 . . 2017-08-25 2016-11-24 update BMRB 'update entry citation' 26957 1 . . 2017-05-23 2016-11-24 original author 'original release' 26957 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MHK 'Crystal structure of ICP4 DNA-binding domain in complex with 19mer DNA duplex' 26957 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26957 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkx419 _Citation.PubMed_ID 28505309 _Citation.Full_citation . _Citation.Title ; The herpes viral transcription factor ICP4 forms a novel DNA recognition complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 45 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 8064 _Citation.Page_last 8078 _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 Richard Tunnicliffe R. B. . . 26957 1 2 Michael Lockhart-Cairns M. P. . . 26957 1 3 Colin Levy C. . . . 26957 1 4 'A Paul' Mould A. P. . . 26957 1 5 Thomas Jowitt T. A. . . 26957 1 6 Hilary Sito H. . . . 26957 1 7 Clair Baldock C. . . . 26957 1 8 Rozanne Sandri-Goldin R. M. . . 26957 1 9 Alexander Golovanov A. P. . . 26957 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Dimer 26957 1 'Herpes virus' 26957 1 'Transcription factor' 26957 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26957 _Assembly.ID 1 _Assembly.Name ICP4N _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 24367.4 _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 ICP4N 1 $ICP4_DNA_binding_domain A . yes native no no . . ; Intrinsically disordered region of ICP4 DNA binding domain; the first residue of the fragment used corresponds to residue 257 in the full-length ICP4 sequence. ; 26957 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding' 26957 1 'Transcription factor' 26957 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ICP4_DNA_binding_domain _Entity.Sf_category entity _Entity.Sf_framecode ICP4_DNA_binding_domain _Entity.Entry_ID 26957 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ICP4_DNA_binding_domain _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 ; GPAASAGRIERRRARAAVAG RDATGRFTAGQPRRVELDAD ATSGAFYARYRDGYVSGEPW PGAGPPPPGRVLYGGLGDSR PGLWGAPEAEEARRRFEASG APAAVWAPELGDAAQQYALI TRLLYTPDAEAMGWLQNPRV VPGDVALDQACFRISGAARN SSSFITGSVARAVPHLGYAM AAGRFGWGLAHAAAAVAMSR RYDRAQKGFLLTSLRRAYAP LLARENAALTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 257 _Entity.Polymer_author_seq_details 'N-terminal glycine is non-native. Remains after HRV3C protease cleavage.' _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 231 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Intrinsically disordered region' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24367.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL CAA32286 . 'ICP4, IE175, RS1' . . . . . . . . . . . . . . 26957 1 2 yes Uniprot P08392 . 'ICP4, IE175, RS1' . . . . . . . . . . . . . . 26957 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 26957 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 1 257 GLY . 26957 1 2 258 PRO . 26957 1 3 259 ALA . 26957 1 4 260 ALA . 26957 1 5 261 SER . 26957 1 6 262 ALA . 26957 1 7 263 GLY . 26957 1 8 264 ARG . 26957 1 9 265 ILE . 26957 1 10 266 GLU . 26957 1 11 267 ARG . 26957 1 12 268 ARG . 26957 1 13 269 ARG . 26957 1 14 270 ALA . 26957 1 15 271 ARG . 26957 1 16 272 ALA . 26957 1 17 273 ALA . 26957 1 18 274 VAL . 26957 1 19 275 ALA . 26957 1 20 276 GLY . 26957 1 21 277 ARG . 26957 1 22 278 ASP . 26957 1 23 279 ALA . 26957 1 24 280 THR . 26957 1 25 281 GLY . 26957 1 26 282 ARG . 26957 1 27 283 PHE . 26957 1 28 284 THR . 26957 1 29 285 ALA . 26957 1 30 286 GLY . 26957 1 31 287 GLN . 26957 1 32 288 PRO . 26957 1 33 289 ARG . 26957 1 34 290 ARG . 26957 1 35 291 VAL . 26957 1 36 292 GLU . 26957 1 37 293 LEU . 26957 1 38 294 ASP . 26957 1 39 295 ALA . 26957 1 40 296 ASP . 26957 1 41 297 ALA . 26957 1 42 298 THR . 26957 1 43 299 SER . 26957 1 44 300 GLY . 26957 1 45 301 ALA . 26957 1 46 302 PHE . 26957 1 47 303 TYR . 26957 1 48 304 ALA . 26957 1 49 305 ARG . 26957 1 50 306 TYR . 26957 1 51 307 ARG . 26957 1 52 308 ASP . 26957 1 53 309 GLY . 26957 1 54 310 TYR . 26957 1 55 311 VAL . 26957 1 56 312 SER . 26957 1 57 313 GLY . 26957 1 58 314 GLU . 26957 1 59 315 PRO . 26957 1 60 316 TRP . 26957 1 61 317 PRO . 26957 1 62 318 GLY . 26957 1 63 319 ALA . 26957 1 64 320 GLY . 26957 1 65 321 PRO . 26957 1 66 322 PRO . 26957 1 67 323 PRO . 26957 1 68 324 PRO . 26957 1 69 325 GLY . 26957 1 70 326 ARG . 26957 1 71 327 VAL . 26957 1 72 328 LEU . 26957 1 73 329 TYR . 26957 1 74 330 GLY . 26957 1 75 331 GLY . 26957 1 76 332 LEU . 26957 1 77 333 GLY . 26957 1 78 334 ASP . 26957 1 79 335 SER . 26957 1 80 336 ARG . 26957 1 81 337 PRO . 26957 1 82 338 GLY . 26957 1 83 339 LEU . 26957 1 84 340 TRP . 26957 1 85 341 GLY . 26957 1 86 342 ALA . 26957 1 87 343 PRO . 26957 1 88 344 GLU . 26957 1 89 345 ALA . 26957 1 90 346 GLU . 26957 1 91 347 GLU . 26957 1 92 348 ALA . 26957 1 93 349 ARG . 26957 1 94 350 ARG . 26957 1 95 351 ARG . 26957 1 96 352 PHE . 26957 1 97 353 GLU . 26957 1 98 354 ALA . 26957 1 99 355 SER . 26957 1 100 356 GLY . 26957 1 101 357 ALA . 26957 1 102 358 PRO . 26957 1 103 359 ALA . 26957 1 104 360 ALA . 26957 1 105 361 VAL . 26957 1 106 362 TRP . 26957 1 107 363 ALA . 26957 1 108 364 PRO . 26957 1 109 365 GLU . 26957 1 110 366 LEU . 26957 1 111 367 GLY . 26957 1 112 368 ASP . 26957 1 113 369 ALA . 26957 1 114 370 ALA . 26957 1 115 371 GLN . 26957 1 116 372 GLN . 26957 1 117 373 TYR . 26957 1 118 374 ALA . 26957 1 119 375 LEU . 26957 1 120 376 ILE . 26957 1 121 377 THR . 26957 1 122 378 ARG . 26957 1 123 379 LEU . 26957 1 124 380 LEU . 26957 1 125 381 TYR . 26957 1 126 382 THR . 26957 1 127 383 PRO . 26957 1 128 384 ASP . 26957 1 129 385 ALA . 26957 1 130 386 GLU . 26957 1 131 387 ALA . 26957 1 132 388 MET . 26957 1 133 389 GLY . 26957 1 134 390 TRP . 26957 1 135 391 LEU . 26957 1 136 392 GLN . 26957 1 137 393 ASN . 26957 1 138 394 PRO . 26957 1 139 395 ARG . 26957 1 140 396 VAL . 26957 1 141 397 VAL . 26957 1 142 398 PRO . 26957 1 143 399 GLY . 26957 1 144 400 ASP . 26957 1 145 401 VAL . 26957 1 146 402 ALA . 26957 1 147 403 LEU . 26957 1 148 404 ASP . 26957 1 149 405 GLN . 26957 1 150 406 ALA . 26957 1 151 407 CYS . 26957 1 152 408 PHE . 26957 1 153 409 ARG . 26957 1 154 410 ILE . 26957 1 155 411 SER . 26957 1 156 412 GLY . 26957 1 157 413 ALA . 26957 1 158 414 ALA . 26957 1 159 415 ARG . 26957 1 160 416 ASN . 26957 1 161 417 SER . 26957 1 162 418 SER . 26957 1 163 419 SER . 26957 1 164 420 PHE . 26957 1 165 421 ILE . 26957 1 166 422 THR . 26957 1 167 423 GLY . 26957 1 168 424 SER . 26957 1 169 425 VAL . 26957 1 170 426 ALA . 26957 1 171 427 ARG . 26957 1 172 428 ALA . 26957 1 173 429 VAL . 26957 1 174 430 PRO . 26957 1 175 431 HIS . 26957 1 176 432 LEU . 26957 1 177 433 GLY . 26957 1 178 434 TYR . 26957 1 179 435 ALA . 26957 1 180 436 MET . 26957 1 181 437 ALA . 26957 1 182 438 ALA . 26957 1 183 439 GLY . 26957 1 184 440 ARG . 26957 1 185 441 PHE . 26957 1 186 442 GLY . 26957 1 187 443 TRP . 26957 1 188 444 GLY . 26957 1 189 445 LEU . 26957 1 190 446 ALA . 26957 1 191 447 HIS . 26957 1 192 448 ALA . 26957 1 193 449 ALA . 26957 1 194 450 ALA . 26957 1 195 451 ALA . 26957 1 196 452 VAL . 26957 1 197 453 ALA . 26957 1 198 454 MET . 26957 1 199 455 SER . 26957 1 200 456 ARG . 26957 1 201 457 ARG . 26957 1 202 458 TYR . 26957 1 203 459 ASP . 26957 1 204 460 ARG . 26957 1 205 461 ALA . 26957 1 206 462 GLN . 26957 1 207 463 LYS . 26957 1 208 464 GLY . 26957 1 209 465 PHE . 26957 1 210 466 LEU . 26957 1 211 467 LEU . 26957 1 212 468 THR . 26957 1 213 469 SER . 26957 1 214 470 LEU . 26957 1 215 471 ARG . 26957 1 216 472 ARG . 26957 1 217 473 ALA . 26957 1 218 474 TYR . 26957 1 219 475 ALA . 26957 1 220 476 PRO . 26957 1 221 477 LEU . 26957 1 222 478 LEU . 26957 1 223 479 ALA . 26957 1 224 480 ARG . 26957 1 225 481 GLU . 26957 1 226 482 ASN . 26957 1 227 483 ALA . 26957 1 228 484 ALA . 26957 1 229 485 LEU . 26957 1 230 486 THR . 26957 1 231 487 GLY . 26957 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26957 1 . PRO 2 2 26957 1 . ALA 3 3 26957 1 . ALA 4 4 26957 1 . SER 5 5 26957 1 . ALA 6 6 26957 1 . GLY 7 7 26957 1 . ARG 8 8 26957 1 . ILE 9 9 26957 1 . GLU 10 10 26957 1 . ARG 11 11 26957 1 . ARG 12 12 26957 1 . ARG 13 13 26957 1 . ALA 14 14 26957 1 . ARG 15 15 26957 1 . ALA 16 16 26957 1 . ALA 17 17 26957 1 . VAL 18 18 26957 1 . ALA 19 19 26957 1 . GLY 20 20 26957 1 . ARG 21 21 26957 1 . ASP 22 22 26957 1 . ALA 23 23 26957 1 . THR 24 24 26957 1 . GLY 25 25 26957 1 . ARG 26 26 26957 1 . PHE 27 27 26957 1 . THR 28 28 26957 1 . ALA 29 29 26957 1 . GLY 30 30 26957 1 . GLN 31 31 26957 1 . PRO 32 32 26957 1 . ARG 33 33 26957 1 . ARG 34 34 26957 1 . VAL 35 35 26957 1 . GLU 36 36 26957 1 . LEU 37 37 26957 1 . ASP 38 38 26957 1 . ALA 39 39 26957 1 . ASP 40 40 26957 1 . ALA 41 41 26957 1 . THR 42 42 26957 1 . SER 43 43 26957 1 . GLY 44 44 26957 1 . ALA 45 45 26957 1 . PHE 46 46 26957 1 . TYR 47 47 26957 1 . ALA 48 48 26957 1 . ARG 49 49 26957 1 . TYR 50 50 26957 1 . ARG 51 51 26957 1 . ASP 52 52 26957 1 . GLY 53 53 26957 1 . TYR 54 54 26957 1 . VAL 55 55 26957 1 . SER 56 56 26957 1 . GLY 57 57 26957 1 . GLU 58 58 26957 1 . PRO 59 59 26957 1 . TRP 60 60 26957 1 . PRO 61 61 26957 1 . GLY 62 62 26957 1 . ALA 63 63 26957 1 . GLY 64 64 26957 1 . PRO 65 65 26957 1 . PRO 66 66 26957 1 . PRO 67 67 26957 1 . PRO 68 68 26957 1 . GLY 69 69 26957 1 . ARG 70 70 26957 1 . VAL 71 71 26957 1 . LEU 72 72 26957 1 . TYR 73 73 26957 1 . GLY 74 74 26957 1 . GLY 75 75 26957 1 . LEU 76 76 26957 1 . GLY 77 77 26957 1 . ASP 78 78 26957 1 . SER 79 79 26957 1 . ARG 80 80 26957 1 . PRO 81 81 26957 1 . GLY 82 82 26957 1 . LEU 83 83 26957 1 . TRP 84 84 26957 1 . GLY 85 85 26957 1 . ALA 86 86 26957 1 . PRO 87 87 26957 1 . GLU 88 88 26957 1 . ALA 89 89 26957 1 . GLU 90 90 26957 1 . GLU 91 91 26957 1 . ALA 92 92 26957 1 . ARG 93 93 26957 1 . ARG 94 94 26957 1 . ARG 95 95 26957 1 . PHE 96 96 26957 1 . GLU 97 97 26957 1 . ALA 98 98 26957 1 . SER 99 99 26957 1 . GLY 100 100 26957 1 . ALA 101 101 26957 1 . PRO 102 102 26957 1 . ALA 103 103 26957 1 . ALA 104 104 26957 1 . VAL 105 105 26957 1 . TRP 106 106 26957 1 . ALA 107 107 26957 1 . PRO 108 108 26957 1 . GLU 109 109 26957 1 . LEU 110 110 26957 1 . GLY 111 111 26957 1 . ASP 112 112 26957 1 . ALA 113 113 26957 1 . ALA 114 114 26957 1 . GLN 115 115 26957 1 . GLN 116 116 26957 1 . TYR 117 117 26957 1 . ALA 118 118 26957 1 . LEU 119 119 26957 1 . ILE 120 120 26957 1 . THR 121 121 26957 1 . ARG 122 122 26957 1 . LEU 123 123 26957 1 . LEU 124 124 26957 1 . TYR 125 125 26957 1 . THR 126 126 26957 1 . PRO 127 127 26957 1 . ASP 128 128 26957 1 . ALA 129 129 26957 1 . GLU 130 130 26957 1 . ALA 131 131 26957 1 . MET 132 132 26957 1 . GLY 133 133 26957 1 . TRP 134 134 26957 1 . LEU 135 135 26957 1 . GLN 136 136 26957 1 . ASN 137 137 26957 1 . PRO 138 138 26957 1 . ARG 139 139 26957 1 . VAL 140 140 26957 1 . VAL 141 141 26957 1 . PRO 142 142 26957 1 . GLY 143 143 26957 1 . ASP 144 144 26957 1 . VAL 145 145 26957 1 . ALA 146 146 26957 1 . LEU 147 147 26957 1 . ASP 148 148 26957 1 . GLN 149 149 26957 1 . ALA 150 150 26957 1 . CYS 151 151 26957 1 . PHE 152 152 26957 1 . ARG 153 153 26957 1 . ILE 154 154 26957 1 . SER 155 155 26957 1 . GLY 156 156 26957 1 . ALA 157 157 26957 1 . ALA 158 158 26957 1 . ARG 159 159 26957 1 . ASN 160 160 26957 1 . SER 161 161 26957 1 . SER 162 162 26957 1 . SER 163 163 26957 1 . PHE 164 164 26957 1 . ILE 165 165 26957 1 . THR 166 166 26957 1 . GLY 167 167 26957 1 . SER 168 168 26957 1 . VAL 169 169 26957 1 . ALA 170 170 26957 1 . ARG 171 171 26957 1 . ALA 172 172 26957 1 . VAL 173 173 26957 1 . PRO 174 174 26957 1 . HIS 175 175 26957 1 . LEU 176 176 26957 1 . GLY 177 177 26957 1 . TYR 178 178 26957 1 . ALA 179 179 26957 1 . MET 180 180 26957 1 . ALA 181 181 26957 1 . ALA 182 182 26957 1 . GLY 183 183 26957 1 . ARG 184 184 26957 1 . PHE 185 185 26957 1 . GLY 186 186 26957 1 . TRP 187 187 26957 1 . GLY 188 188 26957 1 . LEU 189 189 26957 1 . ALA 190 190 26957 1 . HIS 191 191 26957 1 . ALA 192 192 26957 1 . ALA 193 193 26957 1 . ALA 194 194 26957 1 . ALA 195 195 26957 1 . VAL 196 196 26957 1 . ALA 197 197 26957 1 . MET 198 198 26957 1 . SER 199 199 26957 1 . ARG 200 200 26957 1 . ARG 201 201 26957 1 . TYR 202 202 26957 1 . ASP 203 203 26957 1 . ARG 204 204 26957 1 . ALA 205 205 26957 1 . GLN 206 206 26957 1 . LYS 207 207 26957 1 . GLY 208 208 26957 1 . PHE 209 209 26957 1 . LEU 210 210 26957 1 . LEU 211 211 26957 1 . THR 212 212 26957 1 . SER 213 213 26957 1 . LEU 214 214 26957 1 . ARG 215 215 26957 1 . ARG 216 216 26957 1 . ALA 217 217 26957 1 . TYR 218 218 26957 1 . ALA 219 219 26957 1 . PRO 220 220 26957 1 . LEU 221 221 26957 1 . LEU 222 222 26957 1 . ALA 223 223 26957 1 . ARG 224 224 26957 1 . GLU 225 225 26957 1 . ASN 226 226 26957 1 . ALA 227 227 26957 1 . ALA 228 228 26957 1 . LEU 229 229 26957 1 . THR 230 230 26957 1 . GLY 231 231 26957 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26957 _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 $ICP4_DNA_binding_domain . 10298 virus . 'Human herpesvirus 1' 'Human herpesvirus 1' . . Viruses . Simplexvirus herpesvirus 17 . . . . . . . . . . ICP4 . 26957 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 26957 _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 $ICP4_DNA_binding_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'T7 express LysY' . . . . . pET21a . . 'N-terminal Strep-tag cleaved by HRV 3C protease leaving N-terminal glycine.' 26957 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26957 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ICP4N _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 'ICP4 DNA binding domain' '[U-100% 15N]' . . 1 $ICP4_DNA_binding_domain . . 0.3 . . mM 0.01 . . . 26957 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 26957 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 26957 1 4 L-Arg 'natural abundance' . . . . . . 50 . . mM . . . . 26957 1 5 L-Glu 'natural abundance' . . . . . . 50 . . mM . . . . 26957 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 26957 1 7 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 26957 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 26957 _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' 0.15 . M 26957 1 pH 6.6 . pH 26957 1 pressure 1 . atm 26957 1 temperature 298 . K 26957 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26957 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26957 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26957 1 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 26957 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26957 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 800 . . . 26957 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 26957 _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 . . . . . . . . . . . . . . . . 26957 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26957 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26957 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 26957 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS methyl protons' 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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 26957 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 26957 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 26957 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26957 1 2 '3D 1H-15N TOCSY' . . . 26957 1 3 '3D 1H-15N NOESY' . . . 26957 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 26957 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ALA H H 1 8.207 0.01 . 1 . . . . 260 ALA H . 26957 1 2 . 1 1 4 4 ALA HA H 1 4.23 0.01 . 1 . . . . 260 ALA HA . 26957 1 3 . 1 1 4 4 ALA N N 15 125.923 0.1 . 1 . . . . 260 ALA N . 26957 1 4 . 1 1 5 5 SER H H 1 8.151 0.01 . 1 . . . . 261 SER H . 26957 1 5 . 1 1 5 5 SER HA H 1 4.32 0.01 . 1 . . . . 261 SER HA . 26957 1 6 . 1 1 5 5 SER N N 15 114.730 0.1 . 1 . . . . 261 SER N . 26957 1 7 . 1 1 6 6 ALA H H 1 8.253 0.01 . 5 . . . . 262 ALA H . 26957 1 8 . 1 1 6 6 ALA HA H 1 4.19 0.01 . 5 . . . . 262 ALA HA . 26957 1 9 . 1 1 6 6 ALA N N 15 125.495 0.1 . 5 . . . . 262 ALA N . 26957 1 10 . 1 1 7 7 GLY H H 1 8.254 0.01 . 1 . . . . 263 GLY H . 26957 1 11 . 1 1 7 7 GLY HA2 H 1 3.84 0.01 . 2 . . . . 263 GLY HA2 . 26957 1 12 . 1 1 7 7 GLY HA3 H 1 3.84 0.01 . 2 . . . . 263 GLY HA3 . 26957 1 13 . 1 1 7 7 GLY N N 15 107.822 0.1 . 1 . . . . 263 GLY N . 26957 1 14 . 1 1 8 8 ARG H H 1 8.207 0.01 . 1 . . . . 264 ARG H . 26957 1 15 . 1 1 8 8 ARG HA H 1 4.24 0.1 . 1 . . . . 264 ARG HA . 26957 1 16 . 1 1 8 8 ARG N N 15 120.705 0.1 . 1 . . . . 264 ARG N . 26957 1 17 . 1 1 9 9 ILE H H 1 8.146 0.01 . 1 . . . . 265 ILE H . 26957 1 18 . 1 1 9 9 ILE HA H 1 4.02 0.01 . 1 . . . . 265 ILE HA . 26957 1 19 . 1 1 9 9 ILE N N 15 122.725 0.1 . 1 . . . . 265 ILE N . 26957 1 20 . 1 1 10 10 GLU H H 1 8.466 0.01 . 1 . . . . 266 GLU H . 26957 1 21 . 1 1 10 10 GLU HA H 1 4.18 0.01 . 1 . . . . 266 GLU HA . 26957 1 22 . 1 1 10 10 GLU N N 15 125.766 0.1 . 1 . . . . 266 GLU N . 26957 1 23 . 1 1 11 11 ARG H H 1 8.093 0.01 . 1 . . . . 267 ARG H . 26957 1 24 . 1 1 11 11 ARG HA H 1 4.29 0.01 . 1 . . . . 267 ARG HA . 26957 1 25 . 1 1 11 11 ARG N N 15 120.353 0.1 . 1 . . . . 267 ARG N . 26957 1 26 . 1 1 12 12 ARG H H 1 8.295 0.01 . 5 . . . . 268 ARG H . 26957 1 27 . 1 1 12 12 ARG HA H 1 4.19 0.01 . 5 . . . . 268 ARG HA . 26957 1 28 . 1 1 12 12 ARG N N 15 122.235 0.1 . 5 . . . . 268 ARG N . 26957 1 29 . 1 1 13 13 ARG H H 1 7.991 0.01 . 1 . . . . 269 ARG H . 26957 1 30 . 1 1 13 13 ARG HA H 1 4.55 0.01 . 1 . . . . 269 ARG HA . 26957 1 31 . 1 1 13 13 ARG N N 15 120.620 0.1 . 1 . . . . 269 ARG N . 26957 1 32 . 1 1 14 14 ALA H H 1 8.284 0.01 . 1 . . . . 270 ALA H . 26957 1 33 . 1 1 14 14 ALA HA H 1 4.24 0.01 . 1 . . . . 270 ALA HA . 26957 1 34 . 1 1 14 14 ALA N N 15 124.428 0.1 . 1 . . . . 270 ALA N . 26957 1 35 . 1 1 15 15 ARG H H 1 8.218 0.01 . 5 . . . . 271 ARG H . 26957 1 36 . 1 1 15 15 ARG HA H 1 4.24 0.01 . 5 . . . . 271 ARG HA . 26957 1 37 . 1 1 15 15 ARG N N 15 120.489 0.1 . 5 . . . . 271 ARG N . 26957 1 38 . 1 1 16 16 ALA H H 1 8.206 0.01 . 5 . . . . 272 ALA H . 26957 1 39 . 1 1 16 16 ALA HA H 1 4.19 0.01 . 5 . . . . 272 ALA HA . 26957 1 40 . 1 1 16 16 ALA N N 15 125.360 0.1 . 5 . . . . 272 ALA N . 26957 1 41 . 1 1 17 17 ALA H H 1 8.190 0.01 . 1 . . . . 273 ALA H . 26957 1 42 . 1 1 17 17 ALA HA H 1 4.22 0.01 . 1 . . . . 273 ALA HA . 26957 1 43 . 1 1 17 17 ALA N N 15 123.657 0.1 . 1 . . . . 273 ALA N . 26957 1 44 . 1 1 18 18 VAL H H 1 7.981 0.01 . 1 . . . . 274 VAL H . 26957 1 45 . 1 1 18 18 VAL HA H 1 4.00 0.01 . 1 . . . . 274 VAL HA . 26957 1 46 . 1 1 18 18 VAL N N 15 119.300 0.1 . 1 . . . . 274 VAL N . 26957 1 47 . 1 1 19 19 ALA H H 1 8.297 0.01 . 1 . . . . 275 ALA H . 26957 1 48 . 1 1 19 19 ALA HA H 1 4.23 0.01 . 1 . . . . 275 ALA HA . 26957 1 49 . 1 1 19 19 ALA N N 15 127.893 0.1 . 1 . . . . 275 ALA N . 26957 1 50 . 1 1 20 20 GLY H H 1 8.301 0.01 . 1 . . . . 276 GLY H . 26957 1 51 . 1 1 20 20 GLY HA2 H 1 3.86 0.01 . 2 . . . . 276 GLY HA2 . 26957 1 52 . 1 1 20 20 GLY HA3 H 1 3.86 0.01 . 2 . . . . 276 GLY HA3 . 26957 1 53 . 1 1 20 20 GLY N N 15 108.357 0.1 . 1 . . . . 276 GLY N . 26957 1 54 . 1 1 21 21 ARG H H 1 8.293 0.01 . 5 . . . . 277 ARG H . 26957 1 55 . 1 1 21 21 ARG HA H 1 4.19 0.01 . 5 . . . . 277 ARG HA . 26957 1 56 . 1 1 21 21 ARG N N 15 122.622 0.1 . 5 . . . . 277 ARG N . 26957 1 57 . 1 1 22 22 ASP H H 1 8.345 0.01 . 1 . . . . 278 ASP H . 26957 1 58 . 1 1 22 22 ASP HA H 1 4.52 0.01 . 1 . . . . 278 ASP HA . 26957 1 59 . 1 1 22 22 ASP N N 15 121.170 0.1 . 1 . . . . 278 ASP N . 26957 1 60 . 1 1 23 23 ALA H H 1 8.295 0.01 . 1 . . . . 279 ALA H . 26957 1 61 . 1 1 23 23 ALA HA H 1 4.23 0.01 . 1 . . . . 279 ALA HA . 26957 1 62 . 1 1 23 23 ALA N N 15 123.621 0.1 . 1 . . . . 279 ALA N . 26957 1 63 . 1 1 24 24 THR H H 1 8.107 0.01 . 1 . . . . 280 THR H . 26957 1 64 . 1 1 24 24 THR HA H 1 4.22 0.01 . 1 . . . . 280 THR HA . 26957 1 65 . 1 1 24 24 THR N N 15 111.574 0.1 . 1 . . . . 280 THR N . 26957 1 66 . 1 1 25 25 GLY H H 1 8.207 0.01 . 1 . . . . 281 GLY H . 26957 1 67 . 1 1 25 25 GLY HA2 H 1 3.84 0.01 . 2 . . . . 281 GLY HA2 . 26957 1 68 . 1 1 25 25 GLY HA3 H 1 3.84 0.01 . 2 . . . . 281 GLY HA3 . 26957 1 69 . 1 1 25 25 GLY N N 15 110.675 0.1 . 1 . . . . 281 GLY N . 26957 1 70 . 1 1 26 26 ARG H H 1 8.322 0.01 . 5 . . . . 282 ARG H . 26957 1 71 . 1 1 26 26 ARG HA H 1 4.20 0.01 . 5 . . . . 282 ARG HA . 26957 1 72 . 1 1 26 26 ARG N N 15 122.969 0.1 . 5 . . . . 282 ARG N . 26957 1 73 . 1 1 27 27 PHE H H 1 8.190 0.01 . 1 . . . . 283 PHE H . 26957 1 74 . 1 1 27 27 PHE HA H 1 4.22 0.01 . 1 . . . . 283 PHE HA . 26957 1 75 . 1 1 27 27 PHE N N 15 123.657 0.1 . 1 . . . . 283 PHE N . 26957 1 76 . 1 1 28 28 THR H H 1 7.967 0.01 . 1 . . . . 284 THR H . 26957 1 77 . 1 1 28 28 THR HA H 1 4.22 0.01 . 1 . . . . 284 THR HA . 26957 1 78 . 1 1 28 28 THR N N 15 116.686 0.1 . 1 . . . . 284 THR N . 26957 1 79 . 1 1 29 29 ALA H H 1 8.249 0.01 . 5 . . . . 285 ALA H . 26957 1 80 . 1 1 29 29 ALA HA H 1 4.22 0.01 . 5 . . . . 285 ALA HA . 26957 1 81 . 1 1 29 29 ALA N N 15 126.275 0.1 . 5 . . . . 285 ALA N . 26957 1 82 . 1 1 30 30 GLY H H 1 8.304 0.01 . 1 . . . . 286 GLY H . 26957 1 83 . 1 1 30 30 GLY HA2 H 1 3.86 0.01 . 2 . . . . 286 GLY HA2 . 26957 1 84 . 1 1 30 30 GLY HA3 H 1 3.86 0.01 . 2 . . . . 286 GLY HA3 . 26957 1 85 . 1 1 30 30 GLY N N 15 107.764 0.1 . 1 . . . . 286 GLY N . 26957 1 86 . 1 1 31 31 GLN H H 1 8.328 0.01 . 1 . . . . 287 GLN H . 26957 1 87 . 1 1 31 31 GLN HA H 1 4.21 0.01 . 1 . . . . 287 GLN HA . 26957 1 88 . 1 1 31 31 GLN N N 15 121.175 0.1 . 1 . . . . 287 GLN N . 26957 1 89 . 1 1 33 33 ARG H H 1 8.028 0.01 . 5 . . . . 289 ARG H . 26957 1 90 . 1 1 33 33 ARG HA H 1 4.24 0.01 . 5 . . . . 289 ARG HA . 26957 1 91 . 1 1 33 33 ARG N N 15 121.094 0.1 . 5 . . . . 289 ARG N . 26957 1 92 . 1 1 227 227 ALA H H 1 8.329 0.01 . 5 . . . . 483 ALA H . 26957 1 93 . 1 1 227 227 ALA HA H 1 4.19 0.01 . 5 . . . . 483 ALA HA . 26957 1 94 . 1 1 227 227 ALA N N 15 125.250 0.1 . 5 . . . . 483 ALA N . 26957 1 95 . 1 1 228 228 ALA H H 1 8.439 0.01 . 5 . . . . 484 ALA H . 26957 1 96 . 1 1 228 228 ALA HA H 1 4.21 0.01 . 5 . . . . 484 ALA HA . 26957 1 97 . 1 1 228 228 ALA N N 15 124.744 0.1 . 5 . . . . 484 ALA N . 26957 1 98 . 1 1 229 229 LEU H H 1 7.925 0.01 . 1 . . . . 485 LEU H . 26957 1 99 . 1 1 229 229 LEU HA H 1 4.15 0.01 . 1 . . . . 485 LEU HA . 26957 1 100 . 1 1 229 229 LEU N N 15 120.455 0.1 . 1 . . . . 485 LEU N . 26957 1 101 . 1 1 230 230 THR H H 1 8.151 0.01 . 1 . . . . 486 THR H . 26957 1 102 . 1 1 230 230 THR HA H 1 4.32 0.01 . 1 . . . . 486 THR HA . 26957 1 103 . 1 1 230 230 THR N N 15 114.730 0.1 . 1 . . . . 486 THR N . 26957 1 104 . 1 1 231 231 GLY H H 1 7.909 0.01 . 1 . . . . 487 GLY H . 26957 1 105 . 1 1 231 231 GLY HA2 H 1 3.73 0.01 . 2 . . . . 487 GLY HA2 . 26957 1 106 . 1 1 231 231 GLY HA3 H 1 3.73 0.01 . 2 . . . . 487 GLY HA3 . 26957 1 107 . 1 1 231 231 GLY N N 15 117.396 0.1 . 1 . . . . 487 GLY N . 26957 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 7 26957 1 1 38 26957 1 1 79 26957 1 1 92 26957 1 1 95 26957 1 2 8 26957 1 2 39 26957 1 2 80 26957 1 2 93 26957 1 2 96 26957 1 3 9 26957 1 3 40 26957 1 3 81 26957 1 3 94 26957 1 3 97 26957 1 4 26 26957 1 4 35 26957 1 4 54 26957 1 4 70 26957 1 4 89 26957 1 5 27 26957 1 5 36 26957 1 5 55 26957 1 5 71 26957 1 5 90 26957 1 6 28 26957 1 6 37 26957 1 6 56 26957 1 6 72 26957 1 6 91 26957 1 stop_ save_