data_51413 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51413 _Entry.Title ; Bromodomain Interactions with Acetylated Histone 4 Peptides in the Tandem Domain BRD4 -- Effects on Domain Dynamics and Internal Flexibility ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-26 _Entry.Accession_date 2022-04-26 _Entry.Last_release_date 2022-04-26 _Entry.Original_release_date 2022-04-26 _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 Sven Wernersson . . . . 51413 2 Bobby Romel . . . . 51413 3 Liz Flavell . . . . 51413 4 Alexander Milbradt . G. . . 51413 5 Geoff Holdgate . A. . . 51413 6 Kevin Embrey . J. . . 51413 7 Mikael Akke . . . . 51413 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51413 heteronucl_NOEs 2 51413 heteronucl_T1_relaxation 2 51413 heteronucl_T2_relaxation 2 51413 order_parameters 1 51413 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 191 51413 '1H chemical shifts' 191 51413 'T1 relaxation values' 381 51413 'T2 relaxation values' 384 51413 'dipole-CSA cross correlation relaxation values' 180 51413 'heteronuclear NOE values' 377 51413 'order parameters' 71 51413 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 . . 2022-11-16 2022-04-26 update BMRB 'update entry citation' 51413 1 . . 2022-10-11 2022-04-26 original author 'original release' 51413 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51414 'H4Kac bound Bromodomain 2 (BD2) of BRD4' 51413 BMRB 51415 'H4Kac bound Bromodomain 1 (BD1) of BRD4' 51413 BMRB 51416 'apo Bromodomain 1 (BD1) of BRD4' 51413 BMRB 51417 'apo Bromodomain 2 (BD2) of BRD4' 51413 BMRB 51418 'apo Bromodomain 1 (BD1), linker, Bromodomain 2 (BD2) of BRD4' 51413 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51413 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36215732 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Bromodomain Interactions with Acetylated Histone 4 Peptides in the BRD4 Tandem Domain: Effects on Domain Dynamics and Internal Flexibility ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 61 _Citation.Journal_issue 21 _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 2303 _Citation.Page_last 2318 _Citation.Year 2022 _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 Sven Wernersson S. . . . 51413 1 2 Romel Bobby R. . . . 51413 1 3 Liz Flavell L. . . . 51413 1 4 Alexander Milbradt A. G. . . 51413 1 5 Geoffrey Holdgate G. A. . . 51413 1 6 Kevin Embrey K. J. . . 51413 1 7 Mikael Akke M. . . . 51413 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51413 _Assembly.ID 1 _Assembly.Name 'H4Kac bound Bromodomain 1 (BD1), linker, Bromodomain 2 (BD2) of BRD4' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 48608 _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 BD1-link-BD2 1 $entity_1 . . yes native yes no . . . 51413 1 2 H4Kac 2 $entity_2 . . no native no no . . . 51413 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51413 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NPPPPETSNPNKPKRQTNQL QYLLRVVLKTLWKHQFAWPF QQPVDAVKLNLPDYYKIIKT PMDMGTIKKRLENNYYWNAQ ECIQDFNTMFTNCYIYNKPG DDIVLMAEALEKLFLQKINE LPTEETEIMIVQAKGRGRGR KETGTAKPGVSTVPNTTQAS TPPQTQTPQPNPPPVQATPH PFPAVTPDLIVQTPVMTVVP PQPLQTPPPVPPQPQPPPAP APQPVQSHPPIIAATPQPVK TKKGVKRKADTTTPTTIDPI HEPPSLPPEPKTTKLGQRRE SSRPVKPPKKDVPDSQQHPA PEKSSKVSEQLKCCSGILKE MFAKKHAAYAWPFYKPVDVE ALGLHDYCDIIKHPMDMSTI KSKLEAREYRDAQEFGADVR LMFSNCYKYNPPDHEVVAMA RKLQDVFEMRFAKMPDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 417 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 44 ASN . 51413 1 2 45 PRO . 51413 1 3 46 PRO . 51413 1 4 47 PRO . 51413 1 5 48 PRO . 51413 1 6 49 GLU . 51413 1 7 50 THR . 51413 1 8 51 SER . 51413 1 9 52 ASN . 51413 1 10 53 PRO . 51413 1 11 54 ASN . 51413 1 12 55 LYS . 51413 1 13 56 PRO . 51413 1 14 57 LYS . 51413 1 15 58 ARG . 51413 1 16 59 GLN . 51413 1 17 60 THR . 51413 1 18 61 ASN . 51413 1 19 62 GLN . 51413 1 20 63 LEU . 51413 1 21 64 GLN . 51413 1 22 65 TYR . 51413 1 23 66 LEU . 51413 1 24 67 LEU . 51413 1 25 68 ARG . 51413 1 26 69 VAL . 51413 1 27 70 VAL . 51413 1 28 71 LEU . 51413 1 29 72 LYS . 51413 1 30 73 THR . 51413 1 31 74 LEU . 51413 1 32 75 TRP . 51413 1 33 76 LYS . 51413 1 34 77 HIS . 51413 1 35 78 GLN . 51413 1 36 79 PHE . 51413 1 37 80 ALA . 51413 1 38 81 TRP . 51413 1 39 82 PRO . 51413 1 40 83 PHE . 51413 1 41 84 GLN . 51413 1 42 85 GLN . 51413 1 43 86 PRO . 51413 1 44 87 VAL . 51413 1 45 88 ASP . 51413 1 46 89 ALA . 51413 1 47 90 VAL . 51413 1 48 91 LYS . 51413 1 49 92 LEU . 51413 1 50 93 ASN . 51413 1 51 94 LEU . 51413 1 52 95 PRO . 51413 1 53 96 ASP . 51413 1 54 97 TYR . 51413 1 55 98 TYR . 51413 1 56 99 LYS . 51413 1 57 100 ILE . 51413 1 58 101 ILE . 51413 1 59 102 LYS . 51413 1 60 103 THR . 51413 1 61 104 PRO . 51413 1 62 105 MET . 51413 1 63 106 ASP . 51413 1 64 107 MET . 51413 1 65 108 GLY . 51413 1 66 109 THR . 51413 1 67 110 ILE . 51413 1 68 111 LYS . 51413 1 69 112 LYS . 51413 1 70 113 ARG . 51413 1 71 114 LEU . 51413 1 72 115 GLU . 51413 1 73 116 ASN . 51413 1 74 117 ASN . 51413 1 75 118 TYR . 51413 1 76 119 TYR . 51413 1 77 120 TRP . 51413 1 78 121 ASN . 51413 1 79 122 ALA . 51413 1 80 123 GLN . 51413 1 81 124 GLU . 51413 1 82 125 CYS . 51413 1 83 126 ILE . 51413 1 84 127 GLN . 51413 1 85 128 ASP . 51413 1 86 129 PHE . 51413 1 87 130 ASN . 51413 1 88 131 THR . 51413 1 89 132 MET . 51413 1 90 133 PHE . 51413 1 91 134 THR . 51413 1 92 135 ASN . 51413 1 93 136 CYS . 51413 1 94 137 TYR . 51413 1 95 138 ILE . 51413 1 96 139 TYR . 51413 1 97 140 ASN . 51413 1 98 141 LYS . 51413 1 99 142 PRO . 51413 1 100 143 GLY . 51413 1 101 144 ASP . 51413 1 102 145 ASP . 51413 1 103 146 ILE . 51413 1 104 147 VAL . 51413 1 105 148 LEU . 51413 1 106 149 MET . 51413 1 107 150 ALA . 51413 1 108 151 GLU . 51413 1 109 152 ALA . 51413 1 110 153 LEU . 51413 1 111 154 GLU . 51413 1 112 155 LYS . 51413 1 113 156 LEU . 51413 1 114 157 PHE . 51413 1 115 158 LEU . 51413 1 116 159 GLN . 51413 1 117 160 LYS . 51413 1 118 161 ILE . 51413 1 119 162 ASN . 51413 1 120 163 GLU . 51413 1 121 164 LEU . 51413 1 122 165 PRO . 51413 1 123 166 THR . 51413 1 124 167 GLU . 51413 1 125 168 GLU . 51413 1 126 169 THR . 51413 1 127 170 GLU . 51413 1 128 171 ILE . 51413 1 129 172 MET . 51413 1 130 173 ILE . 51413 1 131 174 VAL . 51413 1 132 175 GLN . 51413 1 133 176 ALA . 51413 1 134 177 LYS . 51413 1 135 178 GLY . 51413 1 136 179 ARG . 51413 1 137 180 GLY . 51413 1 138 181 ARG . 51413 1 139 182 GLY . 51413 1 140 183 ARG . 51413 1 141 184 LYS . 51413 1 142 185 GLU . 51413 1 143 186 THR . 51413 1 144 187 GLY . 51413 1 145 188 THR . 51413 1 146 189 ALA . 51413 1 147 190 LYS . 51413 1 148 191 PRO . 51413 1 149 192 GLY . 51413 1 150 193 VAL . 51413 1 151 194 SER . 51413 1 152 195 THR . 51413 1 153 196 VAL . 51413 1 154 197 PRO . 51413 1 155 198 ASN . 51413 1 156 199 THR . 51413 1 157 200 THR . 51413 1 158 201 GLN . 51413 1 159 202 ALA . 51413 1 160 203 SER . 51413 1 161 204 THR . 51413 1 162 205 PRO . 51413 1 163 206 PRO . 51413 1 164 207 GLN . 51413 1 165 208 THR . 51413 1 166 209 GLN . 51413 1 167 210 THR . 51413 1 168 211 PRO . 51413 1 169 212 GLN . 51413 1 170 213 PRO . 51413 1 171 214 ASN . 51413 1 172 215 PRO . 51413 1 173 216 PRO . 51413 1 174 217 PRO . 51413 1 175 218 VAL . 51413 1 176 219 GLN . 51413 1 177 220 ALA . 51413 1 178 221 THR . 51413 1 179 222 PRO . 51413 1 180 223 HIS . 51413 1 181 224 PRO . 51413 1 182 225 PHE . 51413 1 183 226 PRO . 51413 1 184 227 ALA . 51413 1 185 228 VAL . 51413 1 186 229 THR . 51413 1 187 230 PRO . 51413 1 188 231 ASP . 51413 1 189 232 LEU . 51413 1 190 233 ILE . 51413 1 191 234 VAL . 51413 1 192 235 GLN . 51413 1 193 236 THR . 51413 1 194 237 PRO . 51413 1 195 238 VAL . 51413 1 196 239 MET . 51413 1 197 240 THR . 51413 1 198 241 VAL . 51413 1 199 242 VAL . 51413 1 200 243 PRO . 51413 1 201 244 PRO . 51413 1 202 245 GLN . 51413 1 203 246 PRO . 51413 1 204 247 LEU . 51413 1 205 248 GLN . 51413 1 206 249 THR . 51413 1 207 250 PRO . 51413 1 208 251 PRO . 51413 1 209 252 PRO . 51413 1 210 253 VAL . 51413 1 211 254 PRO . 51413 1 212 255 PRO . 51413 1 213 256 GLN . 51413 1 214 257 PRO . 51413 1 215 258 GLN . 51413 1 216 259 PRO . 51413 1 217 260 PRO . 51413 1 218 261 PRO . 51413 1 219 262 ALA . 51413 1 220 263 PRO . 51413 1 221 264 ALA . 51413 1 222 265 PRO . 51413 1 223 266 GLN . 51413 1 224 267 PRO . 51413 1 225 268 VAL . 51413 1 226 269 GLN . 51413 1 227 270 SER . 51413 1 228 271 HIS . 51413 1 229 272 PRO . 51413 1 230 273 PRO . 51413 1 231 274 ILE . 51413 1 232 275 ILE . 51413 1 233 276 ALA . 51413 1 234 277 ALA . 51413 1 235 278 THR . 51413 1 236 279 PRO . 51413 1 237 280 GLN . 51413 1 238 281 PRO . 51413 1 239 282 VAL . 51413 1 240 283 LYS . 51413 1 241 284 THR . 51413 1 242 285 LYS . 51413 1 243 286 LYS . 51413 1 244 287 GLY . 51413 1 245 288 VAL . 51413 1 246 289 LYS . 51413 1 247 290 ARG . 51413 1 248 291 LYS . 51413 1 249 292 ALA . 51413 1 250 293 ASP . 51413 1 251 294 THR . 51413 1 252 295 THR . 51413 1 253 296 THR . 51413 1 254 297 PRO . 51413 1 255 298 THR . 51413 1 256 299 THR . 51413 1 257 300 ILE . 51413 1 258 301 ASP . 51413 1 259 302 PRO . 51413 1 260 303 ILE . 51413 1 261 304 HIS . 51413 1 262 305 GLU . 51413 1 263 306 PRO . 51413 1 264 307 PRO . 51413 1 265 308 SER . 51413 1 266 309 LEU . 51413 1 267 310 PRO . 51413 1 268 311 PRO . 51413 1 269 312 GLU . 51413 1 270 313 PRO . 51413 1 271 314 LYS . 51413 1 272 315 THR . 51413 1 273 316 THR . 51413 1 274 317 LYS . 51413 1 275 318 LEU . 51413 1 276 319 GLY . 51413 1 277 320 GLN . 51413 1 278 321 ARG . 51413 1 279 322 ARG . 51413 1 280 323 GLU . 51413 1 281 324 SER . 51413 1 282 325 SER . 51413 1 283 326 ARG . 51413 1 284 327 PRO . 51413 1 285 328 VAL . 51413 1 286 329 LYS . 51413 1 287 330 PRO . 51413 1 288 331 PRO . 51413 1 289 332 LYS . 51413 1 290 333 LYS . 51413 1 291 334 ASP . 51413 1 292 335 VAL . 51413 1 293 336 PRO . 51413 1 294 337 ASP . 51413 1 295 338 SER . 51413 1 296 339 GLN . 51413 1 297 340 GLN . 51413 1 298 341 HIS . 51413 1 299 342 PRO . 51413 1 300 343 ALA . 51413 1 301 344 PRO . 51413 1 302 345 GLU . 51413 1 303 346 LYS . 51413 1 304 347 SER . 51413 1 305 348 SER . 51413 1 306 349 LYS . 51413 1 307 350 VAL . 51413 1 308 351 SER . 51413 1 309 352 GLU . 51413 1 310 353 GLN . 51413 1 311 354 LEU . 51413 1 312 355 LYS . 51413 1 313 356 CYS . 51413 1 314 357 CYS . 51413 1 315 358 SER . 51413 1 316 359 GLY . 51413 1 317 360 ILE . 51413 1 318 361 LEU . 51413 1 319 362 LYS . 51413 1 320 363 GLU . 51413 1 321 364 MET . 51413 1 322 365 PHE . 51413 1 323 366 ALA . 51413 1 324 367 LYS . 51413 1 325 368 LYS . 51413 1 326 369 HIS . 51413 1 327 370 ALA . 51413 1 328 371 ALA . 51413 1 329 372 TYR . 51413 1 330 373 ALA . 51413 1 331 374 TRP . 51413 1 332 375 PRO . 51413 1 333 376 PHE . 51413 1 334 377 TYR . 51413 1 335 378 LYS . 51413 1 336 379 PRO . 51413 1 337 380 VAL . 51413 1 338 381 ASP . 51413 1 339 382 VAL . 51413 1 340 383 GLU . 51413 1 341 384 ALA . 51413 1 342 385 LEU . 51413 1 343 386 GLY . 51413 1 344 387 LEU . 51413 1 345 388 HIS . 51413 1 346 389 ASP . 51413 1 347 390 TYR . 51413 1 348 391 CYS . 51413 1 349 392 ASP . 51413 1 350 393 ILE . 51413 1 351 394 ILE . 51413 1 352 395 LYS . 51413 1 353 396 HIS . 51413 1 354 397 PRO . 51413 1 355 398 MET . 51413 1 356 399 ASP . 51413 1 357 400 MET . 51413 1 358 401 SER . 51413 1 359 402 THR . 51413 1 360 403 ILE . 51413 1 361 404 LYS . 51413 1 362 405 SER . 51413 1 363 406 LYS . 51413 1 364 407 LEU . 51413 1 365 408 GLU . 51413 1 366 409 ALA . 51413 1 367 410 ARG . 51413 1 368 411 GLU . 51413 1 369 412 TYR . 51413 1 370 413 ARG . 51413 1 371 414 ASP . 51413 1 372 415 ALA . 51413 1 373 416 GLN . 51413 1 374 417 GLU . 51413 1 375 418 PHE . 51413 1 376 419 GLY . 51413 1 377 420 ALA . 51413 1 378 421 ASP . 51413 1 379 422 VAL . 51413 1 380 423 ARG . 51413 1 381 424 LEU . 51413 1 382 425 MET . 51413 1 383 426 PHE . 51413 1 384 427 SER . 51413 1 385 428 ASN . 51413 1 386 429 CYS . 51413 1 387 430 TYR . 51413 1 388 431 LYS . 51413 1 389 432 TYR . 51413 1 390 433 ASN . 51413 1 391 434 PRO . 51413 1 392 435 PRO . 51413 1 393 436 ASP . 51413 1 394 437 HIS . 51413 1 395 438 GLU . 51413 1 396 439 VAL . 51413 1 397 440 VAL . 51413 1 398 441 ALA . 51413 1 399 442 MET . 51413 1 400 443 ALA . 51413 1 401 444 ARG . 51413 1 402 445 LYS . 51413 1 403 446 LEU . 51413 1 404 447 GLN . 51413 1 405 448 ASP . 51413 1 406 449 VAL . 51413 1 407 450 PHE . 51413 1 408 451 GLU . 51413 1 409 452 MET . 51413 1 410 453 ARG . 51413 1 411 454 PHE . 51413 1 412 455 ALA . 51413 1 413 456 LYS . 51413 1 414 457 MET . 51413 1 415 458 PRO . 51413 1 416 459 ASP . 51413 1 417 460 GLU . 51413 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 . ASN 1 1 51413 1 . PRO 2 2 51413 1 . PRO 3 3 51413 1 . PRO 4 4 51413 1 . PRO 5 5 51413 1 . GLU 6 6 51413 1 . THR 7 7 51413 1 . SER 8 8 51413 1 . ASN 9 9 51413 1 . PRO 10 10 51413 1 . ASN 11 11 51413 1 . LYS 12 12 51413 1 . PRO 13 13 51413 1 . LYS 14 14 51413 1 . ARG 15 15 51413 1 . GLN 16 16 51413 1 . THR 17 17 51413 1 . ASN 18 18 51413 1 . GLN 19 19 51413 1 . LEU 20 20 51413 1 . GLN 21 21 51413 1 . TYR 22 22 51413 1 . LEU 23 23 51413 1 . LEU 24 24 51413 1 . ARG 25 25 51413 1 . VAL 26 26 51413 1 . VAL 27 27 51413 1 . LEU 28 28 51413 1 . LYS 29 29 51413 1 . THR 30 30 51413 1 . LEU 31 31 51413 1 . TRP 32 32 51413 1 . LYS 33 33 51413 1 . HIS 34 34 51413 1 . GLN 35 35 51413 1 . PHE 36 36 51413 1 . ALA 37 37 51413 1 . TRP 38 38 51413 1 . PRO 39 39 51413 1 . PHE 40 40 51413 1 . GLN 41 41 51413 1 . GLN 42 42 51413 1 . PRO 43 43 51413 1 . VAL 44 44 51413 1 . ASP 45 45 51413 1 . ALA 46 46 51413 1 . VAL 47 47 51413 1 . LYS 48 48 51413 1 . LEU 49 49 51413 1 . ASN 50 50 51413 1 . LEU 51 51 51413 1 . PRO 52 52 51413 1 . ASP 53 53 51413 1 . TYR 54 54 51413 1 . TYR 55 55 51413 1 . LYS 56 56 51413 1 . ILE 57 57 51413 1 . ILE 58 58 51413 1 . LYS 59 59 51413 1 . THR 60 60 51413 1 . PRO 61 61 51413 1 . MET 62 62 51413 1 . ASP 63 63 51413 1 . MET 64 64 51413 1 . GLY 65 65 51413 1 . THR 66 66 51413 1 . ILE 67 67 51413 1 . LYS 68 68 51413 1 . LYS 69 69 51413 1 . ARG 70 70 51413 1 . LEU 71 71 51413 1 . GLU 72 72 51413 1 . ASN 73 73 51413 1 . ASN 74 74 51413 1 . TYR 75 75 51413 1 . TYR 76 76 51413 1 . TRP 77 77 51413 1 . ASN 78 78 51413 1 . ALA 79 79 51413 1 . GLN 80 80 51413 1 . GLU 81 81 51413 1 . CYS 82 82 51413 1 . ILE 83 83 51413 1 . GLN 84 84 51413 1 . ASP 85 85 51413 1 . PHE 86 86 51413 1 . ASN 87 87 51413 1 . THR 88 88 51413 1 . MET 89 89 51413 1 . PHE 90 90 51413 1 . THR 91 91 51413 1 . ASN 92 92 51413 1 . CYS 93 93 51413 1 . TYR 94 94 51413 1 . ILE 95 95 51413 1 . TYR 96 96 51413 1 . ASN 97 97 51413 1 . LYS 98 98 51413 1 . PRO 99 99 51413 1 . GLY 100 100 51413 1 . ASP 101 101 51413 1 . ASP 102 102 51413 1 . ILE 103 103 51413 1 . VAL 104 104 51413 1 . LEU 105 105 51413 1 . MET 106 106 51413 1 . ALA 107 107 51413 1 . GLU 108 108 51413 1 . ALA 109 109 51413 1 . LEU 110 110 51413 1 . GLU 111 111 51413 1 . LYS 112 112 51413 1 . LEU 113 113 51413 1 . PHE 114 114 51413 1 . LEU 115 115 51413 1 . GLN 116 116 51413 1 . LYS 117 117 51413 1 . ILE 118 118 51413 1 . ASN 119 119 51413 1 . GLU 120 120 51413 1 . LEU 121 121 51413 1 . PRO 122 122 51413 1 . THR 123 123 51413 1 . GLU 124 124 51413 1 . GLU 125 125 51413 1 . THR 126 126 51413 1 . GLU 127 127 51413 1 . ILE 128 128 51413 1 . MET 129 129 51413 1 . ILE 130 130 51413 1 . VAL 131 131 51413 1 . GLN 132 132 51413 1 . ALA 133 133 51413 1 . LYS 134 134 51413 1 . GLY 135 135 51413 1 . ARG 136 136 51413 1 . GLY 137 137 51413 1 . ARG 138 138 51413 1 . GLY 139 139 51413 1 . ARG 140 140 51413 1 . LYS 141 141 51413 1 . GLU 142 142 51413 1 . THR 143 143 51413 1 . GLY 144 144 51413 1 . THR 145 145 51413 1 . ALA 146 146 51413 1 . LYS 147 147 51413 1 . PRO 148 148 51413 1 . GLY 149 149 51413 1 . VAL 150 150 51413 1 . SER 151 151 51413 1 . THR 152 152 51413 1 . VAL 153 153 51413 1 . PRO 154 154 51413 1 . ASN 155 155 51413 1 . THR 156 156 51413 1 . THR 157 157 51413 1 . GLN 158 158 51413 1 . ALA 159 159 51413 1 . SER 160 160 51413 1 . THR 161 161 51413 1 . PRO 162 162 51413 1 . PRO 163 163 51413 1 . GLN 164 164 51413 1 . THR 165 165 51413 1 . GLN 166 166 51413 1 . THR 167 167 51413 1 . PRO 168 168 51413 1 . GLN 169 169 51413 1 . PRO 170 170 51413 1 . ASN 171 171 51413 1 . PRO 172 172 51413 1 . PRO 173 173 51413 1 . PRO 174 174 51413 1 . VAL 175 175 51413 1 . GLN 176 176 51413 1 . ALA 177 177 51413 1 . THR 178 178 51413 1 . PRO 179 179 51413 1 . HIS 180 180 51413 1 . PRO 181 181 51413 1 . PHE 182 182 51413 1 . PRO 183 183 51413 1 . ALA 184 184 51413 1 . VAL 185 185 51413 1 . THR 186 186 51413 1 . PRO 187 187 51413 1 . ASP 188 188 51413 1 . LEU 189 189 51413 1 . ILE 190 190 51413 1 . VAL 191 191 51413 1 . GLN 192 192 51413 1 . THR 193 193 51413 1 . PRO 194 194 51413 1 . VAL 195 195 51413 1 . MET 196 196 51413 1 . THR 197 197 51413 1 . VAL 198 198 51413 1 . VAL 199 199 51413 1 . PRO 200 200 51413 1 . PRO 201 201 51413 1 . GLN 202 202 51413 1 . PRO 203 203 51413 1 . LEU 204 204 51413 1 . GLN 205 205 51413 1 . THR 206 206 51413 1 . PRO 207 207 51413 1 . PRO 208 208 51413 1 . PRO 209 209 51413 1 . VAL 210 210 51413 1 . PRO 211 211 51413 1 . PRO 212 212 51413 1 . GLN 213 213 51413 1 . PRO 214 214 51413 1 . GLN 215 215 51413 1 . PRO 216 216 51413 1 . PRO 217 217 51413 1 . PRO 218 218 51413 1 . ALA 219 219 51413 1 . PRO 220 220 51413 1 . ALA 221 221 51413 1 . PRO 222 222 51413 1 . GLN 223 223 51413 1 . PRO 224 224 51413 1 . VAL 225 225 51413 1 . GLN 226 226 51413 1 . SER 227 227 51413 1 . HIS 228 228 51413 1 . PRO 229 229 51413 1 . PRO 230 230 51413 1 . ILE 231 231 51413 1 . ILE 232 232 51413 1 . ALA 233 233 51413 1 . ALA 234 234 51413 1 . THR 235 235 51413 1 . PRO 236 236 51413 1 . GLN 237 237 51413 1 . PRO 238 238 51413 1 . VAL 239 239 51413 1 . LYS 240 240 51413 1 . THR 241 241 51413 1 . LYS 242 242 51413 1 . LYS 243 243 51413 1 . GLY 244 244 51413 1 . VAL 245 245 51413 1 . LYS 246 246 51413 1 . ARG 247 247 51413 1 . LYS 248 248 51413 1 . ALA 249 249 51413 1 . ASP 250 250 51413 1 . THR 251 251 51413 1 . THR 252 252 51413 1 . THR 253 253 51413 1 . PRO 254 254 51413 1 . THR 255 255 51413 1 . THR 256 256 51413 1 . ILE 257 257 51413 1 . ASP 258 258 51413 1 . PRO 259 259 51413 1 . ILE 260 260 51413 1 . HIS 261 261 51413 1 . GLU 262 262 51413 1 . PRO 263 263 51413 1 . PRO 264 264 51413 1 . SER 265 265 51413 1 . LEU 266 266 51413 1 . PRO 267 267 51413 1 . PRO 268 268 51413 1 . GLU 269 269 51413 1 . PRO 270 270 51413 1 . LYS 271 271 51413 1 . THR 272 272 51413 1 . THR 273 273 51413 1 . LYS 274 274 51413 1 . LEU 275 275 51413 1 . GLY 276 276 51413 1 . GLN 277 277 51413 1 . ARG 278 278 51413 1 . ARG 279 279 51413 1 . GLU 280 280 51413 1 . SER 281 281 51413 1 . SER 282 282 51413 1 . ARG 283 283 51413 1 . PRO 284 284 51413 1 . VAL 285 285 51413 1 . LYS 286 286 51413 1 . PRO 287 287 51413 1 . PRO 288 288 51413 1 . LYS 289 289 51413 1 . LYS 290 290 51413 1 . ASP 291 291 51413 1 . VAL 292 292 51413 1 . PRO 293 293 51413 1 . ASP 294 294 51413 1 . SER 295 295 51413 1 . GLN 296 296 51413 1 . GLN 297 297 51413 1 . HIS 298 298 51413 1 . PRO 299 299 51413 1 . ALA 300 300 51413 1 . PRO 301 301 51413 1 . GLU 302 302 51413 1 . LYS 303 303 51413 1 . SER 304 304 51413 1 . SER 305 305 51413 1 . LYS 306 306 51413 1 . VAL 307 307 51413 1 . SER 308 308 51413 1 . GLU 309 309 51413 1 . GLN 310 310 51413 1 . LEU 311 311 51413 1 . LYS 312 312 51413 1 . CYS 313 313 51413 1 . CYS 314 314 51413 1 . SER 315 315 51413 1 . GLY 316 316 51413 1 . ILE 317 317 51413 1 . LEU 318 318 51413 1 . LYS 319 319 51413 1 . GLU 320 320 51413 1 . MET 321 321 51413 1 . PHE 322 322 51413 1 . ALA 323 323 51413 1 . LYS 324 324 51413 1 . LYS 325 325 51413 1 . HIS 326 326 51413 1 . ALA 327 327 51413 1 . ALA 328 328 51413 1 . TYR 329 329 51413 1 . ALA 330 330 51413 1 . TRP 331 331 51413 1 . PRO 332 332 51413 1 . PHE 333 333 51413 1 . TYR 334 334 51413 1 . LYS 335 335 51413 1 . PRO 336 336 51413 1 . VAL 337 337 51413 1 . ASP 338 338 51413 1 . VAL 339 339 51413 1 . GLU 340 340 51413 1 . ALA 341 341 51413 1 . LEU 342 342 51413 1 . GLY 343 343 51413 1 . LEU 344 344 51413 1 . HIS 345 345 51413 1 . ASP 346 346 51413 1 . TYR 347 347 51413 1 . CYS 348 348 51413 1 . ASP 349 349 51413 1 . ILE 350 350 51413 1 . ILE 351 351 51413 1 . LYS 352 352 51413 1 . HIS 353 353 51413 1 . PRO 354 354 51413 1 . MET 355 355 51413 1 . ASP 356 356 51413 1 . MET 357 357 51413 1 . SER 358 358 51413 1 . THR 359 359 51413 1 . ILE 360 360 51413 1 . LYS 361 361 51413 1 . SER 362 362 51413 1 . LYS 363 363 51413 1 . LEU 364 364 51413 1 . GLU 365 365 51413 1 . ALA 366 366 51413 1 . ARG 367 367 51413 1 . GLU 368 368 51413 1 . TYR 369 369 51413 1 . ARG 370 370 51413 1 . ASP 371 371 51413 1 . ALA 372 372 51413 1 . GLN 373 373 51413 1 . GLU 374 374 51413 1 . PHE 375 375 51413 1 . GLY 376 376 51413 1 . ALA 377 377 51413 1 . ASP 378 378 51413 1 . VAL 379 379 51413 1 . ARG 380 380 51413 1 . LEU 381 381 51413 1 . MET 382 382 51413 1 . PHE 383 383 51413 1 . SER 384 384 51413 1 . ASN 385 385 51413 1 . CYS 386 386 51413 1 . TYR 387 387 51413 1 . LYS 388 388 51413 1 . TYR 389 389 51413 1 . ASN 390 390 51413 1 . PRO 391 391 51413 1 . PRO 392 392 51413 1 . ASP 393 393 51413 1 . HIS 394 394 51413 1 . GLU 395 395 51413 1 . VAL 396 396 51413 1 . VAL 397 397 51413 1 . ALA 398 398 51413 1 . MET 399 399 51413 1 . ALA 400 400 51413 1 . ARG 401 401 51413 1 . LYS 402 402 51413 1 . LEU 403 403 51413 1 . GLN 404 404 51413 1 . ASP 405 405 51413 1 . VAL 406 406 51413 1 . PHE 407 407 51413 1 . GLU 408 408 51413 1 . MET 409 409 51413 1 . ARG 410 410 51413 1 . PHE 411 411 51413 1 . ALA 412 412 51413 1 . LYS 413 413 51413 1 . MET 414 414 51413 1 . PRO 415 415 51413 1 . ASP 416 416 51413 1 . GLU 417 417 51413 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51413 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SGRGXGGXGLGXGGAX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 ; Tetra-acetylated histone 4 (H4) tail, comprising residues 1-16 of H4 with Ne-acetylation at K5, K8, K12, and K16 (denoted H4-Kac5Kac8Kac12Kac16). ; _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 . SER . 51413 2 2 . GLY . 51413 2 3 . ARG . 51413 2 4 . GLY . 51413 2 5 . ALY . 51413 2 6 . GLY . 51413 2 7 . GLY . 51413 2 8 . ALY . 51413 2 9 . GLY . 51413 2 10 . LEU . 51413 2 11 . GLY . 51413 2 12 . ALY . 51413 2 13 . GLY . 51413 2 14 . GLY . 51413 2 15 . ALA . 51413 2 16 . ALY . 51413 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 . SER 1 1 51413 2 . GLY 2 2 51413 2 . ARG 3 3 51413 2 . GLY 4 4 51413 2 . ALY 5 5 51413 2 . GLY 6 6 51413 2 . GLY 7 7 51413 2 . ALY 8 8 51413 2 . GLY 9 9 51413 2 . LEU 10 10 51413 2 . GLY 11 11 51413 2 . ALY 12 12 51413 2 . GLY 13 13 51413 2 . GLY 14 14 51413 2 . ALA 15 15 51413 2 . ALY 16 16 51413 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 51413 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51413 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 51413 _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 . . . plasmid . . pET28 . . . 51413 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ALY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ALY _Chem_comp.Entry_ID 51413 _Chem_comp.ID ALY _Chem_comp.Provenance PDB _Chem_comp.Name N(6)-ACETYLLYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code ALY _Chem_comp.PDB_code ALY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code ALY _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 13 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H16 N2 O3' _Chem_comp.Formula_weight 188.224 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1E6I _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NCCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 51413 ALY CC(=O)NCCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51413 ALY CC(=O)NCCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 51413 ALY CC(=O)NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 51413 ALY DTERQYGMUDWYAZ-ZETCQYMHSA-N InChIKey InChI 1.03 51413 ALY InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 InChI InChI 1.03 51413 ALY O=C(NCCCCC(N)C(=O)O)C SMILES ACDLabs 10.04 51413 ALY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-6-acetamido-2-amino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51413 ALY N~6~-acetyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 51413 ALY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OH OH OH OH . O . . N 0 . . . 1 N N . . . . 9.990 . 20.290 . -7.423 . 1.006 -0.557 4.738 1 . 51413 ALY CH CH CH CH . C . . N 0 . . . 1 N N . . . . 11.031 . 21.048 . -7.196 . -0.053 0.007 4.572 2 . 51413 ALY CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 N N . . . . 11.087 . 21.981 . -6.014 . -0.861 0.460 5.761 3 . 51413 ALY NZ NZ NZ NZ . N . . N 0 . . . 1 N N . . . . 12.165 . 21.027 . -8.042 . -0.509 0.231 3.324 4 . 51413 ALY CE CE CE CE . C . . N 0 . . . 1 N N . . . . 11.999 . 20.068 . -9.164 . 0.275 -0.208 2.167 5 . 51413 ALY CD CD CD CD . C . . N 0 . . . 1 N N . . . . 11.485 . 20.768 . -10.423 . -0.461 0.164 0.879 6 . 51413 ALY CG CG CG CG . C . . N 0 . . . 1 N N . . . . 11.544 . 19.848 . -11.637 . 0.358 -0.294 -0.327 7 . 51413 ALY CB CB CB CB . C . . N 0 . . . 1 N N . . . . 12.935 . 19.885 . -12.249 . -0.377 0.078 -1.615 8 . 51413 ALY CA CA CA CA . C . . S 0 . . . 1 N N . . . . 13.188 . 18.796 . -13.285 . 0.442 -0.381 -2.823 9 . 51413 ALY N N N N . N . . N 0 . . . 1 N N . . . . 14.473 . 19.072 . -13.889 . 1.755 0.276 -2.802 10 . 51413 ALY C C C C . C . . N 0 . . . 1 N N . . . . 12.124 . 18.861 . -14.337 . -0.283 -0.013 -4.092 11 . 51413 ALY O O O O . O . . N 0 . . . 1 N N . . . . 12.100 . 19.891 . -15.140 . -0.079 1.056 -4.616 12 . 51413 ALY OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 11.219 . 17.899 . -14.413 . -1.155 -0.873 -4.640 13 . 51413 ALY HH31 HH31 HH31 1HH3 . H . . N 0 . . . 0 N N . . . . 11.974 . 22.627 . -5.820 . -0.336 0.194 6.679 14 . 51413 ALY HH32 HH32 HH32 2HH3 . H . . N 0 . . . 0 N N . . . . 10.187 . 22.638 . -6.054 . -0.994 1.541 5.719 15 . 51413 ALY HH33 HH33 HH33 3HH3 . H . . N 0 . . . 0 N N . . . . 10.894 . 21.380 . -5.094 . -1.835 -0.027 5.746 16 . 51413 ALY HZ HZ HZ HNZ . H . . N 0 . . . 1 N N . . . . 12.980 . 21.615 . -7.868 . -1.357 0.683 3.191 17 . 51413 ALY HE3 HE3 HE3 1HCE . H . . N 0 . . . 1 N N . . . . 12.940 . 19.505 . -9.364 . 1.250 0.278 2.183 18 . 51413 ALY HE2 HE2 HE2 2HCE . H . . N 0 . . . 1 N N . . . . 11.345 . 19.211 . -8.876 . 0.409 -1.289 2.209 19 . 51413 ALY HD3 HD3 HD3 1HCD . H . . N 0 . . . 1 N N . . . . 10.459 . 21.178 . -10.271 . -1.435 -0.322 0.864 20 . 51413 ALY HD2 HD2 HD2 2HCD . H . . N 0 . . . 1 N N . . . . 12.028 . 21.724 . -10.608 . -0.594 1.245 0.837 21 . 51413 ALY HG3 HG3 HG3 1HCG . H . . N 0 . . . 1 N N . . . . 11.223 . 18.809 . -11.390 . 1.333 0.192 -0.312 22 . 51413 ALY HG2 HG2 HG2 2HCG . H . . N 0 . . . 1 N N . . . . 10.752 . 20.089 . -12.383 . 0.492 -1.375 -0.285 23 . 51413 ALY HB3 HB3 HB3 1HCB . H . . N 0 . . . 1 N N . . . . 13.145 . 20.891 . -12.680 . -1.352 -0.409 -1.631 24 . 51413 ALY HB2 HB2 HB2 2HCB . H . . N 0 . . . 1 N N . . . . 13.713 . 19.854 . -11.451 . -0.511 1.159 -1.657 25 . 51413 ALY HCA HCA HCA HCA . H . . N 0 . . . 1 N N . . . . 13.175 . 17.784 . -12.815 . 0.575 -1.462 -2.781 26 . 51413 ALY H H H 1HN . H . . N 0 . . . 1 N N . . . . 14.642 . 18.343 . -14.582 . 1.583 1.269 -2.842 27 . 51413 ALY H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 15.225 . 19.156 . -13.206 . 2.159 0.088 -1.896 28 . 51413 ALY HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 10.544 . 17.940 . -15.080 . -1.620 -0.637 -5.454 29 . 51413 ALY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB OH CH N N 1 . 51413 ALY 2 . SING CH CH3 N N 2 . 51413 ALY 3 . SING CH NZ N N 3 . 51413 ALY 4 . SING CH3 HH31 N N 4 . 51413 ALY 5 . SING CH3 HH32 N N 5 . 51413 ALY 6 . SING CH3 HH33 N N 6 . 51413 ALY 7 . SING NZ CE N N 7 . 51413 ALY 8 . SING NZ HZ N N 8 . 51413 ALY 9 . SING CE CD N N 9 . 51413 ALY 10 . SING CE HE3 N N 10 . 51413 ALY 11 . SING CE HE2 N N 11 . 51413 ALY 12 . SING CD CG N N 12 . 51413 ALY 13 . SING CD HD3 N N 13 . 51413 ALY 14 . SING CD HD2 N N 14 . 51413 ALY 15 . SING CG CB N N 15 . 51413 ALY 16 . SING CG HG3 N N 16 . 51413 ALY 17 . SING CG HG2 N N 17 . 51413 ALY 18 . SING CB CA N N 18 . 51413 ALY 19 . SING CB HB3 N N 19 . 51413 ALY 20 . SING CB HB2 N N 20 . 51413 ALY 21 . SING CA N N N 21 . 51413 ALY 22 . SING CA C N N 22 . 51413 ALY 23 . SING CA HCA N N 23 . 51413 ALY 24 . SING N H N N 24 . 51413 ALY 25 . SING N H2 N N 25 . 51413 ALY 26 . DOUB C O N N 26 . 51413 ALY 27 . SING C OXT N N 27 . 51413 ALY 28 . SING OXT HXT N N 28 . 51413 ALY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51413 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'apo Bromodomain 1 (BD1) of BRD4' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.135 . . mM . . . . 51413 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51413 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51413 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51413 1 5 H4Kac 'natural abundance' . . 2 $entity_2 . . 1.5 . . mM . . . . 51413 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 51413 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Near physiological' _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' 0.180 . M 51413 1 pH 6.8 . pH 51413 1 pressure 1 . atm 51413 1 temperature 303 . K 51413 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51413 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51413 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51413 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51413 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51413 _Software.ID 3 _Software.Type . _Software.Name Relax _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51413 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 51413 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51413 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51413 _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 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 6 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51413 1 7 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 8 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51413 1 9 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 10 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51413 1 11 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 1 12 'transverse cross-correlated dipole/CSA relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51413 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 51413 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_set _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51413 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51413 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 51413 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BRD4 chemical shifts' _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 '3D CBCANH' . . . 51413 1 2 '3D CBCA(CO)NH' . . . 51413 1 3 '3D HN(CO)CA' . . . 51413 1 4 '3D HNCA' . . . 51413 1 5 '3D HNCO' . . . 51413 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 $software_1 . . 51413 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 . 1 . 1 11 11 ASN H H 1 8.417 . . 1 . . . . . 54 ASN H . 51413 1 2 . 1 . 1 11 11 ASN N N 15 115.796 . . 1 . . . . . 54 ASN N . 51413 1 3 . 1 . 1 12 12 LYS H H 1 7.407 . . 1 . . . . . 55 LYS H . 51413 1 4 . 1 . 1 12 12 LYS N N 15 123.484 . . 1 . . . . . 55 LYS N . 51413 1 5 . 1 . 1 14 14 LYS H H 1 8.469 . . 1 . . . . . 57 LYS H . 51413 1 6 . 1 . 1 14 14 LYS N N 15 121.742 . . 1 . . . . . 57 LYS N . 51413 1 7 . 1 . 1 15 15 ARG H H 1 8.511 . . 1 . . . . . 58 ARG H . 51413 1 8 . 1 . 1 15 15 ARG N N 15 123.258 . . 1 . . . . . 58 ARG N . 51413 1 9 . 1 . 1 20 20 LEU H H 1 8.001 . . 1 . . . . . 63 LEU H . 51413 1 10 . 1 . 1 20 20 LEU N N 15 122.226 . . 1 . . . . . 63 LEU N . 51413 1 11 . 1 . 1 21 21 GLN H H 1 8.441 . . 1 . . . . . 64 GLN H . 51413 1 12 . 1 . 1 21 21 GLN N N 15 119.716 . . 1 . . . . . 64 GLN N . 51413 1 13 . 1 . 1 22 22 TYR H H 1 7.828 . . 1 . . . . . 65 TYR H . 51413 1 14 . 1 . 1 22 22 TYR N N 15 121.64 . . 1 . . . . . 65 TYR N . 51413 1 15 . 1 . 1 23 23 LEU H H 1 8.538 . . 1 . . . . . 66 LEU H . 51413 1 16 . 1 . 1 23 23 LEU N N 15 121.607 . . 1 . . . . . 66 LEU N . 51413 1 17 . 1 . 1 24 24 LEU H H 1 7.789 . . 1 . . . . . 67 LEU H . 51413 1 18 . 1 . 1 24 24 LEU N N 15 118.637 . . 1 . . . . . 67 LEU N . 51413 1 19 . 1 . 1 25 25 ARG H H 1 8.724 . . 1 . . . . . 68 ARG H . 51413 1 20 . 1 . 1 25 25 ARG N N 15 115.416 . . 1 . . . . . 68 ARG N . 51413 1 21 . 1 . 1 26 26 VAL H H 1 8.086 . . 1 . . . . . 69 VAL H . 51413 1 22 . 1 . 1 26 26 VAL N N 15 115.271 . . 1 . . . . . 69 VAL N . 51413 1 23 . 1 . 1 27 27 VAL H H 1 7.39 . . 1 . . . . . 70 VAL H . 51413 1 24 . 1 . 1 27 27 VAL N N 15 120.565 . . 1 . . . . . 70 VAL N . 51413 1 25 . 1 . 1 28 28 LEU H H 1 9.538 . . 1 . . . . . 71 LEU H . 51413 1 26 . 1 . 1 28 28 LEU N N 15 120.189 . . 1 . . . . . 71 LEU N . 51413 1 27 . 1 . 1 29 29 LYS H H 1 6.48 . . 1 . . . . . 72 LYS H . 51413 1 28 . 1 . 1 29 29 LYS N N 15 115.829 . . 1 . . . . . 72 LYS N . 51413 1 29 . 1 . 1 30 30 THR H H 1 7.33 . . 1 . . . . . 73 THR H . 51413 1 30 . 1 . 1 30 30 THR N N 15 112.765 . . 1 . . . . . 73 THR N . 51413 1 31 . 1 . 1 31 31 LEU H H 1 8.082 . . 1 . . . . . 74 LEU H . 51413 1 32 . 1 . 1 31 31 LEU N N 15 121.968 . . 1 . . . . . 74 LEU N . 51413 1 33 . 1 . 1 32 32 TRP H H 1 9.208 . . 1 . . . . . 75 TRP H . 51413 1 34 . 1 . 1 32 32 TRP N N 15 117.293 . . 1 . . . . . 75 TRP N . 51413 1 35 . 1 . 1 33 33 LYS H H 1 7.014 . . 1 . . . . . 76 LYS H . 51413 1 36 . 1 . 1 33 33 LYS N N 15 109.739 . . 1 . . . . . 76 LYS N . 51413 1 37 . 1 . 1 34 34 HIS H H 1 7.598 . . 1 . . . . . 77 HIS H . 51413 1 38 . 1 . 1 34 34 HIS N N 15 124.147 . . 1 . . . . . 77 HIS N . 51413 1 39 . 1 . 1 35 35 GLN H H 1 8.428 . . 1 . . . . . 78 GLN H . 51413 1 40 . 1 . 1 35 35 GLN N N 15 128.528 . . 1 . . . . . 78 GLN N . 51413 1 41 . 1 . 1 36 36 PHE H H 1 11.6 . . 1 . . . . . 79 PHE H . 51413 1 42 . 1 . 1 36 36 PHE N N 15 121.672 . . 1 . . . . . 79 PHE N . 51413 1 43 . 1 . 1 37 37 ALA H H 1 8.069 . . 1 . . . . . 80 ALA H . 51413 1 44 . 1 . 1 37 37 ALA N N 15 117.674 . . 1 . . . . . 80 ALA N . 51413 1 45 . 1 . 1 38 38 TRP H H 1 7.609 . . 1 . . . . . 81 TRP H . 51413 1 46 . 1 . 1 38 38 TRP N N 15 116.387 . . 1 . . . . . 81 TRP N . 51413 1 47 . 1 . 1 40 40 PHE H H 1 8.035 . . 1 . . . . . 83 PHE H . 51413 1 48 . 1 . 1 40 40 PHE N N 15 111.977 . . 1 . . . . . 83 PHE N . 51413 1 49 . 1 . 1 41 41 GLN H H 1 6.972 . . 1 . . . . . 84 GLN H . 51413 1 50 . 1 . 1 41 41 GLN N N 15 118.663 . . 1 . . . . . 84 GLN N . 51413 1 51 . 1 . 1 42 42 GLN H H 1 7.354 . . 1 . . . . . 85 GLN H . 51413 1 52 . 1 . 1 42 42 GLN N N 15 113.817 . . 1 . . . . . 85 GLN N . 51413 1 53 . 1 . 1 44 44 VAL H H 1 8.627 . . 1 . . . . . 87 VAL H . 51413 1 54 . 1 . 1 44 44 VAL N N 15 125.41 . . 1 . . . . . 87 VAL N . 51413 1 55 . 1 . 1 45 45 ASP H H 1 8.539 . . 1 . . . . . 88 ASP H . 51413 1 56 . 1 . 1 45 45 ASP N N 15 131.801 . . 1 . . . . . 88 ASP N . 51413 1 57 . 1 . 1 46 46 ALA H H 1 8.171 . . 1 . . . . . 89 ALA H . 51413 1 58 . 1 . 1 46 46 ALA N N 15 127.147 . . 1 . . . . . 89 ALA N . 51413 1 59 . 1 . 1 47 47 VAL H H 1 8.044 . . 1 . . . . . 90 VAL H . 51413 1 60 . 1 . 1 47 47 VAL N N 15 120.18 . . 1 . . . . . 90 VAL N . 51413 1 61 . 1 . 1 48 48 LYS H H 1 8.093 . . 1 . . . . . 91 LYS H . 51413 1 62 . 1 . 1 48 48 LYS N N 15 123.364 . . 1 . . . . . 91 LYS N . 51413 1 63 . 1 . 1 49 49 LEU H H 1 7.817 . . 1 . . . . . 92 LEU H . 51413 1 64 . 1 . 1 49 49 LEU N N 15 114.811 . . 1 . . . . . 92 LEU N . 51413 1 65 . 1 . 1 50 50 ASN H H 1 7.479 . . 1 . . . . . 93 ASN H . 51413 1 66 . 1 . 1 50 50 ASN N N 15 116.983 . . 1 . . . . . 93 ASN N . 51413 1 67 . 1 . 1 56 56 LYS H H 1 7.115 . . 1 . . . . . 99 LYS H . 51413 1 68 . 1 . 1 56 56 LYS N N 15 118.394 . . 1 . . . . . 99 LYS N . 51413 1 69 . 1 . 1 57 57 ILE H H 1 7.314 . . 1 . . . . . 100 ILE H . 51413 1 70 . 1 . 1 57 57 ILE N N 15 119.692 . . 1 . . . . . 100 ILE N . 51413 1 71 . 1 . 1 59 59 LYS H H 1 7.657 . . 1 . . . . . 102 LYS H . 51413 1 72 . 1 . 1 59 59 LYS N N 15 125.228 . . 1 . . . . . 102 LYS N . 51413 1 73 . 1 . 1 60 60 THR H H 1 8.249 . . 1 . . . . . 103 THR H . 51413 1 74 . 1 . 1 60 60 THR N N 15 112.307 . . 1 . . . . . 103 THR N . 51413 1 75 . 1 . 1 62 62 MET H H 1 8.223 . . 1 . . . . . 105 MET H . 51413 1 76 . 1 . 1 62 62 MET N N 15 119.393 . . 1 . . . . . 105 MET N . 51413 1 77 . 1 . 1 63 63 ASP H H 1 7.277 . . 1 . . . . . 106 ASP H . 51413 1 78 . 1 . 1 63 63 ASP N N 15 120.248 . . 1 . . . . . 106 ASP N . 51413 1 79 . 1 . 1 64 64 MET H H 1 9.173 . . 1 . . . . . 107 MET H . 51413 1 80 . 1 . 1 64 64 MET N N 15 119.751 . . 1 . . . . . 107 MET N . 51413 1 81 . 1 . 1 65 65 GLY H H 1 8.603 . . 1 . . . . . 108 GLY H . 51413 1 82 . 1 . 1 65 65 GLY N N 15 113.435 . . 1 . . . . . 108 GLY N . 51413 1 83 . 1 . 1 66 66 THR H H 1 8.438 . . 1 . . . . . 109 THR H . 51413 1 84 . 1 . 1 66 66 THR N N 15 124.753 . . 1 . . . . . 109 THR N . 51413 1 85 . 1 . 1 67 67 ILE H H 1 7.264 . . 1 . . . . . 110 ILE H . 51413 1 86 . 1 . 1 67 67 ILE N N 15 122.193 . . 1 . . . . . 110 ILE N . 51413 1 87 . 1 . 1 68 68 LYS H H 1 8.392 . . 1 . . . . . 111 LYS H . 51413 1 88 . 1 . 1 68 68 LYS N N 15 120.185 . . 1 . . . . . 111 LYS N . 51413 1 89 . 1 . 1 69 69 LYS H H 1 7.861 . . 1 . . . . . 112 LYS H . 51413 1 90 . 1 . 1 69 69 LYS N N 15 117.476 . . 1 . . . . . 112 LYS N . 51413 1 91 . 1 . 1 70 70 ARG H H 1 8.569 . . 1 . . . . . 113 ARG H . 51413 1 92 . 1 . 1 70 70 ARG N N 15 120.064 . . 1 . . . . . 113 ARG N . 51413 1 93 . 1 . 1 71 71 LEU H H 1 8.791 . . 1 . . . . . 114 LEU H . 51413 1 94 . 1 . 1 71 71 LEU N N 15 120.888 . . 1 . . . . . 114 LEU N . 51413 1 95 . 1 . 1 72 72 GLU H H 1 8.754 . . 1 . . . . . 115 GLU H . 51413 1 96 . 1 . 1 72 72 GLU N N 15 120.704 . . 1 . . . . . 115 GLU N . 51413 1 97 . 1 . 1 73 73 ASN H H 1 8.181 . . 1 . . . . . 116 ASN H . 51413 1 98 . 1 . 1 73 73 ASN N N 15 115.552 . . 1 . . . . . 116 ASN N . 51413 1 99 . 1 . 1 74 74 ASN H H 1 7.911 . . 1 . . . . . 117 ASN H . 51413 1 100 . 1 . 1 74 74 ASN N N 15 116.681 . . 1 . . . . . 117 ASN N . 51413 1 101 . 1 . 1 75 75 TYR H H 1 8.572 . . 1 . . . . . 118 TYR H . 51413 1 102 . 1 . 1 75 75 TYR N N 15 115.37 . . 1 . . . . . 118 TYR N . 51413 1 103 . 1 . 1 76 76 TYR H H 1 7.823 . . 1 . . . . . 119 TYR H . 51413 1 104 . 1 . 1 76 76 TYR N N 15 115.295 . . 1 . . . . . 119 TYR N . 51413 1 105 . 1 . 1 77 77 TRP H H 1 9.445 . . 1 . . . . . 120 TRP H . 51413 1 106 . 1 . 1 77 77 TRP N N 15 121.246 . . 1 . . . . . 120 TRP N . 51413 1 107 . 1 . 1 78 78 ASN H H 1 7.49 . . 1 . . . . . 121 ASN H . 51413 1 108 . 1 . 1 78 78 ASN N N 15 109.209 . . 1 . . . . . 121 ASN N . 51413 1 109 . 1 . 1 79 79 ALA H H 1 9.388 . . 1 . . . . . 122 ALA H . 51413 1 110 . 1 . 1 79 79 ALA N N 15 122.329 . . 1 . . . . . 122 ALA N . 51413 1 111 . 1 . 1 80 80 GLN H H 1 8.681 . . 1 . . . . . 123 GLN H . 51413 1 112 . 1 . 1 80 80 GLN N N 15 118.773 . . 1 . . . . . 123 GLN N . 51413 1 113 . 1 . 1 81 81 GLU H H 1 7.824 . . 1 . . . . . 124 GLU H . 51413 1 114 . 1 . 1 81 81 GLU N N 15 119.526 . . 1 . . . . . 124 GLU N . 51413 1 115 . 1 . 1 82 82 CYS H H 1 6.675 . . 1 . . . . . 125 CYS H . 51413 1 116 . 1 . 1 82 82 CYS N N 15 119.288 . . 1 . . . . . 125 CYS N . 51413 1 117 . 1 . 1 83 83 ILE H H 1 8.651 . . 1 . . . . . 126 ILE H . 51413 1 118 . 1 . 1 83 83 ILE N N 15 121.498 . . 1 . . . . . 126 ILE N . 51413 1 119 . 1 . 1 84 84 GLN H H 1 8.273 . . 1 . . . . . 127 GLN H . 51413 1 120 . 1 . 1 84 84 GLN N N 15 118.138 . . 1 . . . . . 127 GLN N . 51413 1 121 . 1 . 1 85 85 ASP H H 1 7.448 . . 1 . . . . . 128 ASP H . 51413 1 122 . 1 . 1 85 85 ASP N N 15 122.117 . . 1 . . . . . 128 ASP N . 51413 1 123 . 1 . 1 86 86 PHE H H 1 7.94 . . 1 . . . . . 129 PHE H . 51413 1 124 . 1 . 1 86 86 PHE N N 15 120.192 . . 1 . . . . . 129 PHE N . 51413 1 125 . 1 . 1 87 87 ASN H H 1 8.48 . . 1 . . . . . 130 ASN H . 51413 1 126 . 1 . 1 87 87 ASN N N 15 116.522 . . 1 . . . . . 130 ASN N . 51413 1 127 . 1 . 1 88 88 THR H H 1 8.941 . . 1 . . . . . 131 THR H . 51413 1 128 . 1 . 1 88 88 THR N N 15 121.768 . . 1 . . . . . 131 THR N . 51413 1 129 . 1 . 1 89 89 MET H H 1 7.707 . . 1 . . . . . 132 MET H . 51413 1 130 . 1 . 1 89 89 MET N N 15 120.826 . . 1 . . . . . 132 MET N . 51413 1 131 . 1 . 1 90 90 PHE H H 1 7.804 . . 1 . . . . . 133 PHE H . 51413 1 132 . 1 . 1 90 90 PHE N N 15 117.328 . . 1 . . . . . 133 PHE N . 51413 1 133 . 1 . 1 91 91 THR H H 1 8.636 . . 1 . . . . . 134 THR H . 51413 1 134 . 1 . 1 91 91 THR N N 15 114.339 . . 1 . . . . . 134 THR N . 51413 1 135 . 1 . 1 92 92 ASN H H 1 8.774 . . 1 . . . . . 135 ASN H . 51413 1 136 . 1 . 1 92 92 ASN N N 15 119.601 . . 1 . . . . . 135 ASN N . 51413 1 137 . 1 . 1 93 93 CYS H H 1 6.972 . . 1 . . . . . 136 CYS H . 51413 1 138 . 1 . 1 93 93 CYS N N 15 118.663 . . 1 . . . . . 136 CYS N . 51413 1 139 . 1 . 1 94 94 TYR H H 1 7.597 . . 1 . . . . . 137 TYR H . 51413 1 140 . 1 . 1 94 94 TYR N N 15 118.864 . . 1 . . . . . 137 TYR N . 51413 1 141 . 1 . 1 98 98 LYS H H 1 8.5 . . 1 . . . . . 141 LYS H . 51413 1 142 . 1 . 1 98 98 LYS N N 15 120.831 . . 1 . . . . . 141 LYS N . 51413 1 143 . 1 . 1 100 100 GLY H H 1 8.234 . . 1 . . . . . 143 GLY H . 51413 1 144 . 1 . 1 100 100 GLY N N 15 110.156 . . 1 . . . . . 143 GLY N . 51413 1 145 . 1 . 1 101 101 ASP H H 1 7.982 . . 1 . . . . . 144 ASP H . 51413 1 146 . 1 . 1 101 101 ASP N N 15 122.398 . . 1 . . . . . 144 ASP N . 51413 1 147 . 1 . 1 104 104 VAL H H 1 6.917 . . 1 . . . . . 147 VAL H . 51413 1 148 . 1 . 1 104 104 VAL N N 15 123.161 . . 1 . . . . . 147 VAL N . 51413 1 149 . 1 . 1 106 106 MET H H 1 7.908 . . 1 . . . . . 149 MET H . 51413 1 150 . 1 . 1 106 106 MET N N 15 119.752 . . 1 . . . . . 149 MET N . 51413 1 151 . 1 . 1 107 107 ALA H H 1 8.42 . . 1 . . . . . 150 ALA H . 51413 1 152 . 1 . 1 107 107 ALA N N 15 122.348 . . 1 . . . . . 150 ALA N . 51413 1 153 . 1 . 1 108 108 GLU H H 1 8.896 . . 1 . . . . . 151 GLU H . 51413 1 154 . 1 . 1 108 108 GLU N N 15 117.222 . . 1 . . . . . 151 GLU N . 51413 1 155 . 1 . 1 109 109 ALA H H 1 7.621 . . 1 . . . . . 152 ALA H . 51413 1 156 . 1 . 1 109 109 ALA N N 15 121.763 . . 1 . . . . . 152 ALA N . 51413 1 157 . 1 . 1 110 110 LEU H H 1 8.1 . . 1 . . . . . 153 LEU H . 51413 1 158 . 1 . 1 110 110 LEU N N 15 121.213 . . 1 . . . . . 153 LEU N . 51413 1 159 . 1 . 1 111 111 GLU H H 1 9.08 . . 1 . . . . . 154 GLU H . 51413 1 160 . 1 . 1 111 111 GLU N N 15 122.894 . . 1 . . . . . 154 GLU N . 51413 1 161 . 1 . 1 112 112 LYS H H 1 7.832 . . 1 . . . . . 155 LYS H . 51413 1 162 . 1 . 1 112 112 LYS N N 15 118.881 . . 1 . . . . . 155 LYS N . 51413 1 163 . 1 . 1 113 113 LEU H H 1 7.2 . . 1 . . . . . 156 LEU H . 51413 1 164 . 1 . 1 113 113 LEU N N 15 121.161 . . 1 . . . . . 156 LEU N . 51413 1 165 . 1 . 1 114 114 PHE H H 1 8.832 . . 1 . . . . . 157 PHE H . 51413 1 166 . 1 . 1 114 114 PHE N N 15 121.399 . . 1 . . . . . 157 PHE N . 51413 1 167 . 1 . 1 115 115 LEU H H 1 8.681 . . 1 . . . . . 158 LEU H . 51413 1 168 . 1 . 1 115 115 LEU N N 15 118.773 . . 1 . . . . . 158 LEU N . 51413 1 169 . 1 . 1 116 116 GLN H H 1 7.665 . . 1 . . . . . 159 GLN H . 51413 1 170 . 1 . 1 116 116 GLN N N 15 118.809 . . 1 . . . . . 159 GLN N . 51413 1 171 . 1 . 1 117 117 LYS H H 1 8.171 . . 1 . . . . . 160 LYS H . 51413 1 172 . 1 . 1 117 117 LYS N N 15 116.27 . . 1 . . . . . 160 LYS N . 51413 1 173 . 1 . 1 118 118 ILE H H 1 8.604 . . 1 . . . . . 161 ILE H . 51413 1 174 . 1 . 1 118 118 ILE N N 15 118.972 . . 1 . . . . . 161 ILE N . 51413 1 175 . 1 . 1 119 119 ASN H H 1 7.409 . . 1 . . . . . 162 ASN H . 51413 1 176 . 1 . 1 119 119 ASN N N 15 121.264 . . 1 . . . . . 162 ASN N . 51413 1 177 . 1 . 1 120 120 GLU H H 1 7.036 . . 1 . . . . . 163 GLU H . 51413 1 178 . 1 . 1 120 120 GLU N N 15 116.124 . . 1 . . . . . 163 GLU N . 51413 1 179 . 1 . 1 121 121 LEU H H 1 6.846 . . 1 . . . . . 164 LEU H . 51413 1 180 . 1 . 1 121 121 LEU N N 15 120.933 . . 1 . . . . . 164 LEU N . 51413 1 181 . 1 . 1 289 289 LYS H H 1 8.29 . . 1 . . . . . 332 LYS H . 51413 1 182 . 1 . 1 289 289 LYS N N 15 122.241 . . 1 . . . . . 332 LYS N . 51413 1 183 . 1 . 1 290 290 LYS H H 1 8.346 . . 1 . . . . . 333 LYS H . 51413 1 184 . 1 . 1 290 290 LYS N N 15 123.891 . . 1 . . . . . 333 LYS N . 51413 1 185 . 1 . 1 291 291 ASP H H 1 8.405 . . 1 . . . . . 334 ASP H . 51413 1 186 . 1 . 1 291 291 ASP N N 15 122.677 . . 1 . . . . . 334 ASP N . 51413 1 187 . 1 . 1 292 292 VAL H H 1 7.965 . . 1 . . . . . 335 VAL H . 51413 1 188 . 1 . 1 292 292 VAL N N 15 121.186 . . 1 . . . . . 335 VAL N . 51413 1 189 . 1 . 1 294 294 ASP H H 1 8.413 . . 1 . . . . . 337 ASP H . 51413 1 190 . 1 . 1 294 294 ASP N N 15 121.276 . . 1 . . . . . 337 ASP N . 51413 1 191 . 1 . 1 295 295 SER H H 1 8.235 . . 1 . . . . . 338 SER H . 51413 1 192 . 1 . 1 295 295 SER N N 15 116.33 . . 1 . . . . . 338 SER N . 51413 1 193 . 1 . 1 296 296 GLN H H 1 8.303 . . 1 . . . . . 339 GLN H . 51413 1 194 . 1 . 1 296 296 GLN N N 15 121.915 . . 1 . . . . . 339 GLN N . 51413 1 195 . 1 . 1 297 297 GLN H H 1 8.132 . . 1 . . . . . 340 GLN H . 51413 1 196 . 1 . 1 297 297 GLN N N 15 120.9 . . 1 . . . . . 340 GLN N . 51413 1 197 . 1 . 1 300 300 ALA H H 1 8.488 . . 1 . . . . . 343 ALA H . 51413 1 198 . 1 . 1 300 300 ALA N N 15 126.367 . . 1 . . . . . 343 ALA N . 51413 1 199 . 1 . 1 302 302 GLU H H 1 8.582 . . 1 . . . . . 345 GLU H . 51413 1 200 . 1 . 1 302 302 GLU N N 15 121.625 . . 1 . . . . . 345 GLU N . 51413 1 201 . 1 . 1 303 303 LYS H H 1 8.384 . . 1 . . . . . 346 LYS H . 51413 1 202 . 1 . 1 303 303 LYS N N 15 123.006 . . 1 . . . . . 346 LYS N . 51413 1 203 . 1 . 1 304 304 SER H H 1 8.344 . . 1 . . . . . 347 SER H . 51413 1 204 . 1 . 1 304 304 SER N N 15 117.239 . . 1 . . . . . 347 SER N . 51413 1 205 . 1 . 1 307 307 VAL H H 1 8.047 . . 1 . . . . . 350 VAL H . 51413 1 206 . 1 . 1 307 307 VAL N N 15 120.593 . . 1 . . . . . 350 VAL N . 51413 1 207 . 1 . 1 308 308 SER H H 1 8.129 . . 1 . . . . . 351 SER H . 51413 1 208 . 1 . 1 308 308 SER N N 15 117.901 . . 1 . . . . . 351 SER N . 51413 1 209 . 1 . 1 309 309 GLU H H 1 8.689 . . 1 . . . . . 352 GLU H . 51413 1 210 . 1 . 1 309 309 GLU N N 15 123.478 . . 1 . . . . . 352 GLU N . 51413 1 211 . 1 . 1 310 310 GLN H H 1 8.685 . . 1 . . . . . 353 GLN H . 51413 1 212 . 1 . 1 310 310 GLN N N 15 120.338 . . 1 . . . . . 353 GLN N . 51413 1 213 . 1 . 1 311 311 LEU H H 1 8.41 . . 1 . . . . . 354 LEU H . 51413 1 214 . 1 . 1 311 311 LEU N N 15 121.735 . . 1 . . . . . 354 LEU N . 51413 1 215 . 1 . 1 312 312 LYS H H 1 8.073 . . 1 . . . . . 355 LYS H . 51413 1 216 . 1 . 1 312 312 LYS N N 15 123.631 . . 1 . . . . . 355 LYS N . 51413 1 217 . 1 . 1 313 313 CYS H H 1 8.008 . . 1 . . . . . 356 CYS H . 51413 1 218 . 1 . 1 313 313 CYS N N 15 121.534 . . 1 . . . . . 356 CYS N . 51413 1 219 . 1 . 1 314 314 CYS H H 1 8.105 . . 1 . . . . . 357 CYS H . 51413 1 220 . 1 . 1 314 314 CYS N N 15 119.515 . . 1 . . . . . 357 CYS N . 51413 1 221 . 1 . 1 315 315 SER H H 1 7.817 . . 1 . . . . . 358 SER H . 51413 1 222 . 1 . 1 315 315 SER N N 15 114.811 . . 1 . . . . . 358 SER N . 51413 1 223 . 1 . 1 316 316 GLY H H 1 7.808 . . 1 . . . . . 359 GLY H . 51413 1 224 . 1 . 1 316 316 GLY N N 15 109.319 . . 1 . . . . . 359 GLY N . 51413 1 225 . 1 . 1 317 317 ILE H H 1 8.251 . . 1 . . . . . 360 ILE H . 51413 1 226 . 1 . 1 317 317 ILE N N 15 125.404 . . 1 . . . . . 360 ILE N . 51413 1 227 . 1 . 1 318 318 LEU H H 1 8.285 . . 1 . . . . . 361 LEU H . 51413 1 228 . 1 . 1 318 318 LEU N N 15 121.612 . . 1 . . . . . 361 LEU N . 51413 1 229 . 1 . 1 319 319 LYS H H 1 8.312 . . 1 . . . . . 362 LYS H . 51413 1 230 . 1 . 1 319 319 LYS N N 15 118.191 . . 1 . . . . . 362 LYS N . 51413 1 231 . 1 . 1 320 320 GLU H H 1 7.889 . . 1 . . . . . 363 GLU H . 51413 1 232 . 1 . 1 320 320 GLU N N 15 120.716 . . 1 . . . . . 363 GLU N . 51413 1 233 . 1 . 1 321 321 MET H H 1 8.269 . . 1 . . . . . 364 MET H . 51413 1 234 . 1 . 1 321 321 MET N N 15 118.502 . . 1 . . . . . 364 MET N . 51413 1 235 . 1 . 1 322 322 PHE H H 1 7.804 . . 1 . . . . . 365 PHE H . 51413 1 236 . 1 . 1 322 322 PHE N N 15 117.328 . . 1 . . . . . 365 PHE N . 51413 1 237 . 1 . 1 323 323 ALA H H 1 8.037 . . 1 . . . . . 366 ALA H . 51413 1 238 . 1 . 1 323 323 ALA N N 15 124.237 . . 1 . . . . . 366 ALA N . 51413 1 239 . 1 . 1 325 325 LYS H H 1 8.253 . . 1 . . . . . 368 LYS H . 51413 1 240 . 1 . 1 325 325 LYS N N 15 117.076 . . 1 . . . . . 368 LYS N . 51413 1 241 . 1 . 1 326 326 HIS H H 1 7.036 . . 1 . . . . . 369 HIS H . 51413 1 242 . 1 . 1 326 326 HIS N N 15 116.124 . . 1 . . . . . 369 HIS N . 51413 1 243 . 1 . 1 327 327 ALA H H 1 7.622 . . 1 . . . . . 370 ALA H . 51413 1 244 . 1 . 1 327 327 ALA N N 15 122.803 . . 1 . . . . . 370 ALA N . 51413 1 245 . 1 . 1 328 328 ALA H H 1 8.478 . . 1 . . . . . 371 ALA H . 51413 1 246 . 1 . 1 328 328 ALA N N 15 117.086 . . 1 . . . . . 371 ALA N . 51413 1 247 . 1 . 1 329 329 TYR H H 1 6.979 . . 1 . . . . . 372 TYR H . 51413 1 248 . 1 . 1 329 329 TYR N N 15 110.881 . . 1 . . . . . 372 TYR N . 51413 1 249 . 1 . 1 330 330 ALA H H 1 7.917 . . 1 . . . . . 373 ALA H . 51413 1 250 . 1 . 1 330 330 ALA N N 15 119.8 . . 1 . . . . . 373 ALA N . 51413 1 251 . 1 . 1 331 331 TRP H H 1 6.897 . . 1 . . . . . 374 TRP H . 51413 1 252 . 1 . 1 331 331 TRP N N 15 115.162 . . 1 . . . . . 374 TRP N . 51413 1 253 . 1 . 1 333 333 PHE H H 1 7.657 . . 1 . . . . . 376 PHE H . 51413 1 254 . 1 . 1 333 333 PHE N N 15 113.957 . . 1 . . . . . 376 PHE N . 51413 1 255 . 1 . 1 334 334 TYR H H 1 7.302 . . 1 . . . . . 377 TYR H . 51413 1 256 . 1 . 1 334 334 TYR N N 15 118.04 . . 1 . . . . . 377 TYR N . 51413 1 257 . 1 . 1 335 335 LYS H H 1 7.822 . . 1 . . . . . 378 LYS H . 51413 1 258 . 1 . 1 335 335 LYS N N 15 116.118 . . 1 . . . . . 378 LYS N . 51413 1 259 . 1 . 1 337 337 VAL H H 1 8.492 . . 1 . . . . . 380 VAL H . 51413 1 260 . 1 . 1 337 337 VAL N N 15 125.846 . . 1 . . . . . 380 VAL N . 51413 1 261 . 1 . 1 338 338 ASP H H 1 8.395 . . 1 . . . . . 381 ASP H . 51413 1 262 . 1 . 1 338 338 ASP N N 15 129.896 . . 1 . . . . . 381 ASP N . 51413 1 263 . 1 . 1 339 339 VAL H H 1 7.582 . . 1 . . . . . 382 VAL H . 51413 1 264 . 1 . 1 339 339 VAL N N 15 120.229 . . 1 . . . . . 382 VAL N . 51413 1 265 . 1 . 1 340 340 GLU H H 1 8.2 . . 1 . . . . . 383 GLU H . 51413 1 266 . 1 . 1 340 340 GLU N N 15 119.991 . . 1 . . . . . 383 GLU N . 51413 1 267 . 1 . 1 341 341 ALA H H 1 7.817 . . 1 . . . . . 384 ALA H . 51413 1 268 . 1 . 1 341 341 ALA N N 15 123.414 . . 1 . . . . . 384 ALA N . 51413 1 269 . 1 . 1 342 342 LEU H H 1 7.822 . . 1 . . . . . 385 LEU H . 51413 1 270 . 1 . 1 342 342 LEU N N 15 116.118 . . 1 . . . . . 385 LEU N . 51413 1 271 . 1 . 1 344 344 LEU H H 1 7.917 . . 1 . . . . . 387 LEU H . 51413 1 272 . 1 . 1 344 344 LEU N N 15 119.8 . . 1 . . . . . 387 LEU N . 51413 1 273 . 1 . 1 346 346 ASP H H 1 8.478 . . 1 . . . . . 389 ASP H . 51413 1 274 . 1 . 1 346 346 ASP N N 15 117.086 . . 1 . . . . . 389 ASP N . 51413 1 275 . 1 . 1 347 347 TYR H H 1 7.672 . . 1 . . . . . 390 TYR H . 51413 1 276 . 1 . 1 347 347 TYR N N 15 123.576 . . 1 . . . . . 390 TYR N . 51413 1 277 . 1 . 1 348 348 CYS H H 1 8.501 . . 1 . . . . . 391 CYS H . 51413 1 278 . 1 . 1 348 348 CYS N N 15 113.679 . . 1 . . . . . 391 CYS N . 51413 1 279 . 1 . 1 349 349 ASP H H 1 7.348 . . 1 . . . . . 392 ASP H . 51413 1 280 . 1 . 1 349 349 ASP N N 15 118.792 . . 1 . . . . . 392 ASP N . 51413 1 281 . 1 . 1 350 350 ILE H H 1 7.129 . . 1 . . . . . 393 ILE H . 51413 1 282 . 1 . 1 350 350 ILE N N 15 119.241 . . 1 . . . . . 393 ILE N . 51413 1 283 . 1 . 1 351 351 ILE H H 1 8.546 . . 1 . . . . . 394 ILE H . 51413 1 284 . 1 . 1 351 351 ILE N N 15 122.495 . . 1 . . . . . 394 ILE N . 51413 1 285 . 1 . 1 352 352 LYS H H 1 7.572 . . 1 . . . . . 395 LYS H . 51413 1 286 . 1 . 1 352 352 LYS N N 15 124.407 . . 1 . . . . . 395 LYS N . 51413 1 287 . 1 . 1 353 353 HIS H H 1 8.313 . . 1 . . . . . 396 HIS H . 51413 1 288 . 1 . 1 353 353 HIS N N 15 116.714 . . 1 . . . . . 396 HIS N . 51413 1 289 . 1 . 1 355 355 MET H H 1 8.194 . . 1 . . . . . 398 MET H . 51413 1 290 . 1 . 1 355 355 MET N N 15 119.242 . . 1 . . . . . 398 MET N . 51413 1 291 . 1 . 1 356 356 ASP H H 1 7.189 . . 1 . . . . . 399 ASP H . 51413 1 292 . 1 . 1 356 356 ASP N N 15 120.037 . . 1 . . . . . 399 ASP N . 51413 1 293 . 1 . 1 357 357 MET H H 1 8.883 . . 1 . . . . . 400 MET H . 51413 1 294 . 1 . 1 357 357 MET N N 15 118.168 . . 1 . . . . . 400 MET N . 51413 1 295 . 1 . 1 358 358 SER H H 1 8.806 . . 1 . . . . . 401 SER H . 51413 1 296 . 1 . 1 358 358 SER N N 15 120.015 . . 1 . . . . . 401 SER N . 51413 1 297 . 1 . 1 360 360 ILE H H 1 7.63 . . 1 . . . . . 403 ILE H . 51413 1 298 . 1 . 1 360 360 ILE N N 15 123.564 . . 1 . . . . . 403 ILE N . 51413 1 299 . 1 . 1 361 361 LYS H H 1 8.443 . . 1 . . . . . 404 LYS H . 51413 1 300 . 1 . 1 361 361 LYS N N 15 120.979 . . 1 . . . . . 404 LYS N . 51413 1 301 . 1 . 1 362 362 SER H H 1 8.225 . . 1 . . . . . 405 SER H . 51413 1 302 . 1 . 1 362 362 SER N N 15 115.132 . . 1 . . . . . 405 SER N . 51413 1 303 . 1 . 1 363 363 LYS H H 1 8.347 . . 1 . . . . . 406 LYS H . 51413 1 304 . 1 . 1 363 363 LYS N N 15 124.264 . . 1 . . . . . 406 LYS N . 51413 1 305 . 1 . 1 364 364 LEU H H 1 8.719 . . 1 . . . . . 407 LEU H . 51413 1 306 . 1 . 1 364 364 LEU N N 15 121.672 . . 1 . . . . . 407 LEU N . 51413 1 307 . 1 . 1 365 365 GLU H H 1 8.651 . . 1 . . . . . 408 GLU H . 51413 1 308 . 1 . 1 365 365 GLU N N 15 121.498 . . 1 . . . . . 408 GLU N . 51413 1 309 . 1 . 1 366 366 ALA H H 1 7.816 . . 1 . . . . . 409 ALA H . 51413 1 310 . 1 . 1 366 366 ALA N N 15 120.178 . . 1 . . . . . 409 ALA N . 51413 1 311 . 1 . 1 367 367 ARG H H 1 7.849 . . 1 . . . . . 410 ARG H . 51413 1 312 . 1 . 1 367 367 ARG N N 15 115.202 . . 1 . . . . . 410 ARG N . 51413 1 313 . 1 . 1 368 368 GLU H H 1 8.417 . . 1 . . . . . 411 GLU H . 51413 1 314 . 1 . 1 368 368 GLU N N 15 115.796 . . 1 . . . . . 411 GLU N . 51413 1 315 . 1 . 1 369 369 TYR H H 1 7.275 . . 1 . . . . . 412 TYR H . 51413 1 316 . 1 . 1 369 369 TYR N N 15 116.275 . . 1 . . . . . 412 TYR N . 51413 1 317 . 1 . 1 370 370 ARG H H 1 9.582 . . 1 . . . . . 413 ARG H . 51413 1 318 . 1 . 1 370 370 ARG N N 15 123.961 . . 1 . . . . . 413 ARG N . 51413 1 319 . 1 . 1 371 371 ASP H H 1 7.479 . . 1 . . . . . 414 ASP H . 51413 1 320 . 1 . 1 371 371 ASP N N 15 111.245 . . 1 . . . . . 414 ASP N . 51413 1 321 . 1 . 1 372 372 ALA H H 1 9.016 . . 1 . . . . . 415 ALA H . 51413 1 322 . 1 . 1 372 372 ALA N N 15 119.323 . . 1 . . . . . 415 ALA N . 51413 1 323 . 1 . 1 373 373 GLN H H 1 8.464 . . 1 . . . . . 416 GLN H . 51413 1 324 . 1 . 1 373 373 GLN N N 15 118.665 . . 1 . . . . . 416 GLN N . 51413 1 325 . 1 . 1 374 374 GLU H H 1 8.337 . . 1 . . . . . 417 GLU H . 51413 1 326 . 1 . 1 374 374 GLU N N 15 122.318 . . 1 . . . . . 417 GLU N . 51413 1 327 . 1 . 1 375 375 PHE H H 1 6.796 . . 1 . . . . . 418 PHE H . 51413 1 328 . 1 . 1 375 375 PHE N N 15 121.197 . . 1 . . . . . 418 PHE N . 51413 1 329 . 1 . 1 376 376 GLY H H 1 8.845 . . 1 . . . . . 419 GLY H . 51413 1 330 . 1 . 1 376 376 GLY N N 15 107.05 . . 1 . . . . . 419 GLY N . 51413 1 331 . 1 . 1 377 377 ALA H H 1 8.001 . . 1 . . . . . 420 ALA H . 51413 1 332 . 1 . 1 377 377 ALA N N 15 122.226 . . 1 . . . . . 420 ALA N . 51413 1 333 . 1 . 1 378 378 ASP H H 1 7.125 . . 1 . . . . . 421 ASP H . 51413 1 334 . 1 . 1 378 378 ASP N N 15 121.136 . . 1 . . . . . 421 ASP N . 51413 1 335 . 1 . 1 379 379 VAL H H 1 7.246 . . 1 . . . . . 422 VAL H . 51413 1 336 . 1 . 1 379 379 VAL N N 15 120.606 . . 1 . . . . . 422 VAL N . 51413 1 337 . 1 . 1 380 380 ARG H H 1 8.035 . . 1 . . . . . 423 ARG H . 51413 1 338 . 1 . 1 380 380 ARG N N 15 115.961 . . 1 . . . . . 423 ARG N . 51413 1 339 . 1 . 1 381 381 LEU H H 1 7.853 . . 1 . . . . . 424 LEU H . 51413 1 340 . 1 . 1 381 381 LEU N N 15 124.019 . . 1 . . . . . 424 LEU N . 51413 1 341 . 1 . 1 382 382 MET H H 1 7.283 . . 1 . . . . . 425 MET H . 51413 1 342 . 1 . 1 382 382 MET N N 15 118.333 . . 1 . . . . . 425 MET N . 51413 1 343 . 1 . 1 383 383 PHE H H 1 7.009 . . 1 . . . . . 426 PHE H . 51413 1 344 . 1 . 1 383 383 PHE N N 15 117.596 . . 1 . . . . . 426 PHE N . 51413 1 345 . 1 . 1 385 385 ASN H H 1 8.806 . . 1 . . . . . 428 ASN H . 51413 1 346 . 1 . 1 385 385 ASN N N 15 120.015 . . 1 . . . . . 428 ASN N . 51413 1 347 . 1 . 1 386 386 CYS H H 1 6.978 . . 1 . . . . . 429 CYS H . 51413 1 348 . 1 . 1 386 386 CYS N N 15 120.665 . . 1 . . . . . 429 CYS N . 51413 1 349 . 1 . 1 393 393 ASP H H 1 8.289 . . 1 . . . . . 436 ASP H . 51413 1 350 . 1 . 1 393 393 ASP N N 15 114.45 . . 1 . . . . . 436 ASP N . 51413 1 351 . 1 . 1 394 394 HIS H H 1 7.883 . . 1 . . . . . 437 HIS H . 51413 1 352 . 1 . 1 394 394 HIS N N 15 122.739 . . 1 . . . . . 437 HIS N . 51413 1 353 . 1 . 1 395 395 GLU H H 1 9.056 . . 1 . . . . . 438 GLU H . 51413 1 354 . 1 . 1 395 395 GLU N N 15 131.141 . . 1 . . . . . 438 GLU N . 51413 1 355 . 1 . 1 397 397 VAL H H 1 7.362 . . 1 . . . . . 440 VAL H . 51413 1 356 . 1 . 1 397 397 VAL N N 15 122.869 . . 1 . . . . . 440 VAL N . 51413 1 357 . 1 . 1 398 398 ALA H H 1 7.116 . . 1 . . . . . 441 ALA H . 51413 1 358 . 1 . 1 398 398 ALA N N 15 122.701 . . 1 . . . . . 441 ALA N . 51413 1 359 . 1 . 1 399 399 MET H H 1 7.977 . . 1 . . . . . 442 MET H . 51413 1 360 . 1 . 1 399 399 MET N N 15 119.487 . . 1 . . . . . 442 MET N . 51413 1 361 . 1 . 1 400 400 ALA H H 1 8.563 . . 1 . . . . . 443 ALA H . 51413 1 362 . 1 . 1 400 400 ALA N N 15 121.593 . . 1 . . . . . 443 ALA N . 51413 1 363 . 1 . 1 402 402 LYS H H 1 7.181 . . 1 . . . . . 445 LYS H . 51413 1 364 . 1 . 1 402 402 LYS N N 15 118.397 . . 1 . . . . . 445 LYS N . 51413 1 365 . 1 . 1 403 403 LEU H H 1 8.278 . . 1 . . . . . 446 LEU H . 51413 1 366 . 1 . 1 403 403 LEU N N 15 121.108 . . 1 . . . . . 446 LEU N . 51413 1 367 . 1 . 1 404 404 GLN H H 1 9.188 . . 1 . . . . . 447 GLN H . 51413 1 368 . 1 . 1 404 404 GLN N N 15 121.956 . . 1 . . . . . 447 GLN N . 51413 1 369 . 1 . 1 407 407 PHE H H 1 8.068 . . 1 . . . . . 450 PHE H . 51413 1 370 . 1 . 1 407 407 PHE N N 15 118.687 . . 1 . . . . . 450 PHE N . 51413 1 371 . 1 . 1 408 408 GLU H H 1 9.584 . . 1 . . . . . 451 GLU H . 51413 1 372 . 1 . 1 408 408 GLU N N 15 118.642 . . 1 . . . . . 451 GLU N . 51413 1 373 . 1 . 1 410 410 ARG H H 1 7.332 . . 1 . . . . . 453 ARG H . 51413 1 374 . 1 . 1 410 410 ARG N N 15 116.776 . . 1 . . . . . 453 ARG N . 51413 1 375 . 1 . 1 411 411 PHE H H 1 9.182 . . 1 . . . . . 454 PHE H . 51413 1 376 . 1 . 1 411 411 PHE N N 15 123.195 . . 1 . . . . . 454 PHE N . 51413 1 377 . 1 . 1 412 412 ALA H H 1 7.439 . . 1 . . . . . 455 ALA H . 51413 1 378 . 1 . 1 412 412 ALA N N 15 117.667 . . 1 . . . . . 455 ALA N . 51413 1 379 . 1 . 1 416 416 ASP H H 1 8.398 . . 1 . . . . . 459 ASP H . 51413 1 380 . 1 . 1 416 416 ASP N N 15 121.562 . . 1 . . . . . 459 ASP N . 51413 1 381 . 1 . 1 417 417 GLU H H 1 7.774 . . 1 . . . . . 460 GLU H . 51413 1 382 . 1 . 1 417 417 GLU N N 15 124.933 . . 1 . . . . . 460 GLU N . 51413 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51413 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'BRD4 15N-NOE 600' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 10 '1H-15N heteronoe' . . . 51413 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51413 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.3417 0.010554 . . . 49 GLU N . 49 GLU H 51413 1 2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5752 0.021368 . . . 55 LYS N . 55 LYS H 51413 1 3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 -0.2788 0.022312 . . . 57 LYS N . 57 LYS H 51413 1 4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 -0.3992 0.021379 . . . 58 ARG N . 58 ARG H 51413 1 5 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 -0.3946 0.097851 . . . 60 THR N . 60 THR H 51413 1 6 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8275 0.025681 . . . 65 TYR N . 65 TYR H 51413 1 7 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.8536 0.027776 . . . 67 LEU N . 67 LEU H 51413 1 8 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8305 0.030994 . . . 68 ARG N . 68 ARG H 51413 1 9 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.7478 0.030362 . . . 70 VAL N . 70 VAL H 51413 1 10 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.8127 0.026421 . . . 71 LEU N . 71 LEU H 51413 1 11 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.7694 0.027398 . . . 73 THR N . 73 THR H 51413 1 12 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.7577 0.02533 . . . 75 TRP N . 75 TRP H 51413 1 13 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.8576 0.032888 . . . 76 LYS N . 76 LYS H 51413 1 14 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.8332 0.022788 . . . 78 GLN N . 78 GLN H 51413 1 15 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.8024 0.051898 . . . 79 PHE N . 79 PHE H 51413 1 16 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.8722 0.039041 . . . 81 TRP N . 81 TRP H 51413 1 17 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.8089 0.034163 . . . 83 PHE N . 83 PHE H 51413 1 18 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8711 0.024259 . . . 85 GLN N . 85 GLN H 51413 1 19 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.7746 0.02187 . . . 87 VAL N . 87 VAL H 51413 1 20 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.8141 0.026931 . . . 88 ASP N . 88 ASP H 51413 1 21 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.7526 0.038584 . . . 89 ALA N . 89 ALA H 51413 1 22 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.7077 0.033257 . . . 90 VAL N . 90 VAL H 51413 1 23 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.778 0.031359 . . . 91 LYS N . 91 LYS H 51413 1 24 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.8928 0.045296 . . . 92 LEU N . 92 LEU H 51413 1 25 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7796 0.022644 . . . 93 ASN N . 93 ASN H 51413 1 26 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.8197 0.038693 . . . 98 TYR N . 98 TYR H 51413 1 27 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.787 0.060667 . . . 99 LYS N . 99 LYS H 51413 1 28 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.6715 0.036402 . . . 100 ILE N . 100 ILE H 51413 1 29 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7208 0.02301 . . . 102 LYS N . 102 LYS H 51413 1 30 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8906 0.033212 . . . 103 THR N . 103 THR H 51413 1 31 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8901 0.051003 . . . 105 MET N . 105 MET H 51413 1 32 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.8406 0.021638 . . . 106 ASP N . 106 ASP H 51413 1 33 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8622 0.026431 . . . 107 MET N . 107 MET H 51413 1 34 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.7967 0.033244 . . . 108 GLY N . 108 GLY H 51413 1 35 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8199 0.025937 . . . 110 ILE N . 110 ILE H 51413 1 36 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8349 0.023697 . . . 111 LYS N . 111 LYS H 51413 1 37 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8546 0.029665 . . . 112 LYS N . 112 LYS H 51413 1 38 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8108 0.031324 . . . 113 ARG N . 113 ARG H 51413 1 39 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.8162 0.030568 . . . 114 LEU N . 114 LEU H 51413 1 40 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.8336 0.031579 . . . 115 GLU N . 115 GLU H 51413 1 41 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.6869 0.028506 . . . 116 ASN N . 116 ASN H 51413 1 42 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8025 0.02758 . . . 118 TYR N . 118 TYR H 51413 1 43 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.814 0.025319 . . . 119 TYR N . 119 TYR H 51413 1 44 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.7602 0.030225 . . . 120 TRP N . 120 TRP H 51413 1 45 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.852 0.039588 . . . 121 ASN N . 121 ASN H 51413 1 46 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.7343 0.038302 . . . 122 ALA N . 122 ALA H 51413 1 47 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.8104 0.023708 . . . 123 GLN N . 123 GLN H 51413 1 48 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.8382 0.033635 . . . 125 CYS N . 125 CYS H 51413 1 49 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8278 0.023025 . . . 128 ASP N . 128 ASP H 51413 1 50 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8889 0.027302 . . . 130 ASN N . 130 ASN H 51413 1 51 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.7514 0.02896 . . . 131 THR N . 131 THR H 51413 1 52 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.8487 0.025322 . . . 132 MET N . 132 MET H 51413 1 53 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.8444 0.024186 . . . 133 PHE N . 133 PHE H 51413 1 54 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8099 0.064676 . . . 134 THR N . 134 THR H 51413 1 55 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8239 0.026919 . . . 135 ASN N . 135 ASN H 51413 1 56 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.8975 0.02892 . . . 137 TYR N . 137 TYR H 51413 1 57 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.6987 0.085458 . . . 143 GLY N . 143 GLY H 51413 1 58 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8383 0.042352 . . . 147 VAL N . 147 VAL H 51413 1 59 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.815 0.038106 . . . 148 LEU N . 148 LEU H 51413 1 60 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.8686 0.043293 . . . 151 GLU N . 151 GLU H 51413 1 61 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.8779 0.024534 . . . 152 ALA N . 152 ALA H 51413 1 62 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8023 0.043206 . . . 153 LEU N . 153 LEU H 51413 1 63 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.9072 0.064297 . . . 154 GLU N . 154 GLU H 51413 1 64 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8536 0.042204 . . . 155 LYS N . 155 LYS H 51413 1 65 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8649 0.026287 . . . 156 LEU N . 156 LEU H 51413 1 66 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8922 0.034775 . . . 157 PHE N . 157 PHE H 51413 1 67 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8461 0.024763 . . . 158 LEU N . 158 LEU H 51413 1 68 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8483 0.023724 . . . 159 GLN N . 159 GLN H 51413 1 69 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8392 0.033153 . . . 161 ILE N . 161 ILE H 51413 1 70 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.7989 0.023376 . . . 162 ASN N . 162 ASN H 51413 1 71 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.7633 0.025701 . . . 164 LEU N . 164 LEU H 51413 1 72 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.065 0.023283 . . . 175 GLN N . 175 GLN H 51413 1 73 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 -0.2104 0.015486 . . . 177 LYS N . 177 LYS H 51413 1 74 . 1 1 139 139 GLY N N 15 . 1 1 139 139 GLY H H 1 -0.6032 0.11315 . . . 182 GLY N . 182 GLY H 51413 1 75 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 -0.6631 0.043131 . . . 186 THR N . 186 THR H 51413 1 76 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 -0.7429 0.077349 . . . 187 GLY N . 187 GLY H 51413 1 77 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 -0.4952 0.034675 . . . 188 THR N . 188 THR H 51413 1 78 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.8253 0.030367 . . . 189 ALA N . 189 ALA H 51413 1 79 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 -0.6821 0.022501 . . . 192 GLY N . 192 GLY H 51413 1 80 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 -0.5472 0.032667 . . . 195 THR N . 195 THR H 51413 1 81 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.434 0.011627 . . . 196 VAL N . 196 VAL H 51413 1 82 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 -0.6921 0.032459 . . . 198 ASN N . 198 ASN H 51413 1 83 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 -0.493 0.018556 . . . 199 THR N . 199 THR H 51413 1 84 . 1 1 157 157 THR N N 15 . 1 1 157 157 THR H H 1 -0.4446 0.022162 . . . 200 THR N . 200 THR H 51413 1 85 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 -0.6924 0.027493 . . . 201 GLN N . 201 GLN H 51413 1 86 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.7765 0.024739 . . . 202 ALA N . 202 ALA H 51413 1 87 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -1.076 0.056936 . . . 203 SER N . 203 SER H 51413 1 88 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 -0.582 0.021904 . . . 204 THR N . 204 THR H 51413 1 89 . 1 1 164 164 GLN N N 15 . 1 1 164 164 GLN H H 1 -0.5678 0.017616 . . . 207 GLN N . 207 GLN H 51413 1 90 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.7469 0.026389 . . . 210 THR N . 210 THR H 51413 1 91 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 -0.5557 0.0201 . . . 227 ALA N . 227 ALA H 51413 1 92 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 -0.2923 0.014761 . . . 228 VAL N . 228 VAL H 51413 1 93 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 -0.3223 0.011714 . . . 229 THR N . 229 THR H 51413 1 94 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 -0.1088 0.0066319 . . . 231 ASP N . 231 ASP H 51413 1 95 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 -0.4539 0.0096828 . . . 233 ILE N . 233 ILE H 51413 1 96 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.2558 0.0096318 . . . 234 VAL N . 234 VAL H 51413 1 97 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 -0.3964 0.012552 . . . 235 GLN N . 235 GLN H 51413 1 98 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.3596 0.010479 . . . 238 VAL N . 238 VAL H 51413 1 99 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.4721 0.019291 . . . 240 THR N . 240 THR H 51413 1 100 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.3279 0.014121 . . . 241 VAL N . 241 VAL H 51413 1 101 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 -0.5128 0.011336 . . . 242 VAL N . 242 VAL H 51413 1 102 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.4978 0.011631 . . . 274 ILE N . 274 ILE H 51413 1 103 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.5464 0.012917 . . . 275 ILE N . 275 ILE H 51413 1 104 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.6897 0.015574 . . . 276 ALA N . 276 ALA H 51413 1 105 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 -0.5617 0.013321 . . . 277 ALA N . 277 ALA H 51413 1 106 . 1 1 235 235 THR N N 15 . 1 1 235 235 THR H H 1 -0.7364 0.18549 . . . 278 THR N . 278 THR H 51413 1 107 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 -0.3513 0.017651 . . . 286 LYS N . 286 LYS H 51413 1 108 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 -0.4117 0.02834 . . . 287 GLY N . 287 GLY H 51413 1 109 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 -0.3956 0.024638 . . . 292 ALA N . 292 ALA H 51413 1 110 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 -0.453 0.019063 . . . 293 ASP N . 293 ASP H 51413 1 111 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.2594 0.019859 . . . 294 THR N . 294 THR H 51413 1 112 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 -0.4899 0.017805 . . . 298 THR N . 298 THR H 51413 1 113 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 -0.2804 0.019353 . . . 299 THR N . 299 THR H 51413 1 114 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 -0.2269 0.01231 . . . 300 ILE N . 300 ILE H 51413 1 115 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 -0.1144 0.01017 . . . 303 ILE N . 303 ILE H 51413 1 116 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 -0.2551 0.022971 . . . 304 HIS N . 304 HIS H 51413 1 117 . 1 1 262 262 GLU N N 15 . 1 1 262 262 GLU H H 1 -0.4056 0.014086 . . . 305 GLU N . 305 GLU H 51413 1 118 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 -0.2947 0.015483 . . . 308 SER N . 308 SER H 51413 1 119 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 -0.2473 0.013208 . . . 309 LEU N . 309 LEU H 51413 1 120 . 1 1 285 285 VAL N N 15 . 1 1 285 285 VAL H H 1 -0.3681 0.0049452 . . . 328 VAL N . 328 VAL H 51413 1 121 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 -0.2086 0.014773 . . . 332 LYS N . 332 LYS H 51413 1 122 . 1 1 290 290 LYS N N 15 . 1 1 290 290 LYS H H 1 -0.3204 0.017162 . . . 333 LYS N . 333 LYS H 51413 1 123 . 1 1 291 291 ASP N N 15 . 1 1 291 291 ASP H H 1 -0.3489 0.017043 . . . 334 ASP N . 334 ASP H 51413 1 124 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 -0.0928 0.0079837 . . . 335 VAL N . 335 VAL H 51413 1 125 . 1 1 294 294 ASP N N 15 . 1 1 294 294 ASP H H 1 -0.2392 0.012309 . . . 337 ASP N . 337 ASP H 51413 1 126 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 -0.1569 0.026417 . . . 338 SER N . 338 SER H 51413 1 127 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 -0.1345 0.01608 . . . 343 ALA N . 343 ALA H 51413 1 128 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 0.0518 0.015036 . . . 345 GLU N . 345 GLU H 51413 1 129 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.0952 0.048414 . . . 347 SER N . 347 SER H 51413 1 130 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.4863 0.030457 . . . 350 VAL N . 350 VAL H 51413 1 131 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.7792 0.048617 . . . 351 SER N . 351 SER H 51413 1 132 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.7564 0.066666 . . . 352 GLU N . 352 GLU H 51413 1 133 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.8144 0.06385 . . . 353 GLN N . 353 GLN H 51413 1 134 . 1 1 315 315 SER N N 15 . 1 1 315 315 SER H H 1 0.6772 0.037985 . . . 358 SER N . 358 SER H 51413 1 135 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.8465 0.04852 . . . 359 GLY N . 359 GLY H 51413 1 136 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.8911 0.042964 . . . 363 GLU N . 363 GLU H 51413 1 137 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.8978 0.045997 . . . 365 PHE N . 365 PHE H 51413 1 138 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.8213 0.038244 . . . 370 ALA N . 370 ALA H 51413 1 139 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8536 0.037357 . . . 374 TRP N . 374 TRP H 51413 1 140 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.7842 0.038488 . . . 377 TYR N . 377 TYR H 51413 1 141 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.8301 0.033171 . . . 378 LYS N . 378 LYS H 51413 1 142 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.8253 0.027451 . . . 380 VAL N . 380 VAL H 51413 1 143 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.768 0.025249 . . . 381 ASP N . 381 ASP H 51413 1 144 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6623 0.026887 . . . 382 VAL N . 382 VAL H 51413 1 145 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.7498 0.037235 . . . 384 ALA N . 384 ALA H 51413 1 146 . 1 1 346 346 ASP N N 15 . 1 1 346 346 ASP H H 1 0.8495 0.023869 . . . 389 ASP N . 389 ASP H 51413 1 147 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.8195 0.038712 . . . 391 CYS N . 391 CYS H 51413 1 148 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.7086 0.040669 . . . 392 ASP N . 392 ASP H 51413 1 149 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.7025 0.047567 . . . 393 ILE N . 393 ILE H 51413 1 150 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8143 0.028014 . . . 399 ASP N . 399 ASP H 51413 1 151 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.8479 0.036022 . . . 400 MET N . 400 MET H 51413 1 152 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.8651 0.030802 . . . 401 SER N . 401 SER H 51413 1 153 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.8833 0.042308 . . . 403 ILE N . 403 ILE H 51413 1 154 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.7937 0.036791 . . . 405 SER N . 405 SER H 51413 1 155 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.7784 0.043151 . . . 407 LEU N . 407 LEU H 51413 1 156 . 1 1 365 365 GLU N N 15 . 1 1 365 365 GLU H H 1 0.8648 0.027732 . . . 408 GLU N . 408 GLU H 51413 1 157 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.7569 0.033859 . . . 409 ALA N . 409 ALA H 51413 1 158 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.7774 0.029341 . . . 410 ARG N . 410 ARG H 51413 1 159 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.731 0.028271 . . . 412 TYR N . 412 TYR H 51413 1 160 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.8247 0.032661 . . . 413 ARG N . 413 ARG H 51413 1 161 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.773 0.032262 . . . 414 ASP N . 414 ASP H 51413 1 162 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.86 0.03822 . . . 415 ALA N . 415 ALA H 51413 1 163 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.7282 0.036439 . . . 416 GLN N . 416 GLN H 51413 1 164 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8852 0.048352 . . . 419 GLY N . 419 GLY H 51413 1 165 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.8475 0.04131 . . . 422 VAL N . 422 VAL H 51413 1 166 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.8894 0.039264 . . . 423 ARG N . 423 ARG H 51413 1 167 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.8829 0.043253 . . . 425 MET N . 425 MET H 51413 1 168 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.8296 0.045111 . . . 429 CYS N . 429 CYS H 51413 1 169 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 1.018 0.049649 . . . 436 ASP N . 436 ASP H 51413 1 170 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.7679 0.051885 . . . 438 GLU N . 438 GLU H 51413 1 171 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.9317 0.051459 . . . 440 VAL N . 440 VAL H 51413 1 172 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 0.9189 0.065337 . . . 441 ALA N . 441 ALA H 51413 1 173 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.8279 0.053037 . . . 445 LYS N . 445 LYS H 51413 1 174 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.8246 0.061163 . . . 447 GLN N . 447 GLN H 51413 1 175 . 1 1 407 407 PHE N N 15 . 1 1 407 407 PHE H H 1 0.7095 0.046658 . . . 450 PHE N . 450 PHE H 51413 1 176 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.9091 0.068102 . . . 451 GLU N . 451 GLU H 51413 1 177 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.7433 0.061669 . . . 453 ARG N . 453 ARG H 51413 1 178 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.9353 0.08366 . . . 454 PHE N . 454 PHE H 51413 1 179 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.7031 0.03926 . . . 455 ALA N . 455 ALA H 51413 1 180 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 -0.0288 0.018729 . . . 460 GLU N . 460 GLU H 51413 1 stop_ save_ save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51413 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'BRD4 15N-NOE 800' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '1H-15N heteronoe' . . . 51413 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51413 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.1713 0.012124 . . . 49 GLU N . 49 GLU H 51413 2 2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5665 0.024347 . . . 55 LYS N . 55 LYS H 51413 2 3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.1629 0.024192 . . . 57 LYS N . 57 LYS H 51413 2 4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.1463 0.02001 . . . 58 ARG N . 58 ARG H 51413 2 5 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 -0.1857 0.098871 . . . 60 THR N . 60 THR H 51413 2 6 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8105 0.025773 . . . 65 TYR N . 65 TYR H 51413 2 7 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.8174 0.029654 . . . 67 LEU N . 67 LEU H 51413 2 8 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8393 0.034814 . . . 68 ARG N . 68 ARG H 51413 2 9 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.8652 0.035472 . . . 70 VAL N . 70 VAL H 51413 2 10 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.92 0.039701 . . . 71 LEU N . 71 LEU H 51413 2 11 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.8141 0.03092 . . . 72 LYS N . 72 LYS H 51413 2 12 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.8297 0.030745 . . . 73 THR N . 73 THR H 51413 2 13 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7832 0.027916 . . . 74 LEU N . 74 LEU H 51413 2 14 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.9048 0.0321 . . . 75 TRP N . 75 TRP H 51413 2 15 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.8388 0.032696 . . . 76 LYS N . 76 LYS H 51413 2 16 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.8375 0.026061 . . . 78 GLN N . 78 GLN H 51413 2 17 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 1.3257 0.14081 . . . 79 PHE N . 79 PHE H 51413 2 18 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.9272 0.0613 . . . 81 TRP N . 81 TRP H 51413 2 19 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.8815 0.037102 . . . 83 PHE N . 83 PHE H 51413 2 20 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8498 0.02439 . . . 85 GLN N . 85 GLN H 51413 2 21 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.864 0.029319 . . . 87 VAL N . 87 VAL H 51413 2 22 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.8533 0.03627 . . . 88 ASP N . 88 ASP H 51413 2 23 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.7775 0.03919 . . . 89 ALA N . 89 ALA H 51413 2 24 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.8327 0.04153 . . . 90 VAL N . 90 VAL H 51413 2 25 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.8917 0.038699 . . . 91 LYS N . 91 LYS H 51413 2 26 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.8123 0.036289 . . . 92 LEU N . 92 LEU H 51413 2 27 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.8023 0.025946 . . . 93 ASN N . 93 ASN H 51413 2 28 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.9461 0.053477 . . . 98 TYR N . 98 TYR H 51413 2 29 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.7448 0.059237 . . . 99 LYS N . 99 LYS H 51413 2 30 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.9704 0.051353 . . . 100 ILE N . 100 ILE H 51413 2 31 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7041 0.025717 . . . 102 LYS N . 102 LYS H 51413 2 32 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8499 0.035811 . . . 103 THR N . 103 THR H 51413 2 33 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8635 0.047819 . . . 105 MET N . 105 MET H 51413 2 34 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.9012 0.023525 . . . 106 ASP N . 106 ASP H 51413 2 35 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8879 0.029827 . . . 107 MET N . 107 MET H 51413 2 36 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.9613 0.046433 . . . 108 GLY N . 108 GLY H 51413 2 37 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.9227 0.027535 . . . 110 ILE N . 110 ILE H 51413 2 38 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8957 0.029307 . . . 111 LYS N . 111 LYS H 51413 2 39 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.9352 0.034147 . . . 112 LYS N . 112 LYS H 51413 2 40 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.9528 0.042134 . . . 113 ARG N . 113 ARG H 51413 2 41 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.835 0.032216 . . . 114 LEU N . 114 LEU H 51413 2 42 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.8902 0.03588 . . . 115 GLU N . 115 GLU H 51413 2 43 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.8877 0.038832 . . . 116 ASN N . 116 ASN H 51413 2 44 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8637 0.036186 . . . 118 TYR N . 118 TYR H 51413 2 45 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.8985 0.030356 . . . 119 TYR N . 119 TYR H 51413 2 46 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.8474 0.037136 . . . 120 TRP N . 120 TRP H 51413 2 47 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.8871 0.051876 . . . 121 ASN N . 121 ASN H 51413 2 48 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.8782 0.054438 . . . 122 ALA N . 122 ALA H 51413 2 49 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.8665 0.028719 . . . 123 GLN N . 123 GLN H 51413 2 50 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.9046 0.032848 . . . 125 CYS N . 125 CYS H 51413 2 51 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8517 0.025516 . . . 128 ASP N . 128 ASP H 51413 2 52 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8807 0.029302 . . . 130 ASN N . 130 ASN H 51413 2 53 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8586 0.033564 . . . 131 THR N . 131 THR H 51413 2 54 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.8418 0.027242 . . . 132 MET N . 132 MET H 51413 2 55 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.9638 0.029329 . . . 133 PHE N . 133 PHE H 51413 2 56 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8307 0.11703 . . . 134 THR N . 134 THR H 51413 2 57 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8475 0.029588 . . . 135 ASN N . 135 ASN H 51413 2 58 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.8728 0.029161 . . . 137 TYR N . 137 TYR H 51413 2 59 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8267 0.04303 . . . 147 VAL N . 147 VAL H 51413 2 60 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.9195 0.049914 . . . 148 LEU N . 148 LEU H 51413 2 61 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.9818 0.059814 . . . 151 GLU N . 151 GLU H 51413 2 62 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.8615 0.02723 . . . 152 ALA N . 152 ALA H 51413 2 63 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8875 0.055873 . . . 153 LEU N . 153 LEU H 51413 2 64 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.8465 0.078273 . . . 154 GLU N . 154 GLU H 51413 2 65 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.9294 0.05567 . . . 155 LYS N . 155 LYS H 51413 2 66 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8611 0.02655 . . . 156 LEU N . 156 LEU H 51413 2 67 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.9495 0.041144 . . . 157 PHE N . 157 PHE H 51413 2 68 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8742 0.031337 . . . 158 LEU N . 158 LEU H 51413 2 69 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8808 0.027844 . . . 159 GLN N . 159 GLN H 51413 2 70 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.8236 0.029121 . . . 160 LYS N . 160 LYS H 51413 2 71 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8921 0.039239 . . . 161 ILE N . 161 ILE H 51413 2 72 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.8532 0.027092 . . . 162 ASN N . 162 ASN H 51413 2 73 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.802 0.026898 . . . 164 LEU N . 164 LEU H 51413 2 74 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.2533 0.022901 . . . 175 GLN N . 175 GLN H 51413 2 75 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 0.206 0.014864 . . . 177 LYS N . 177 LYS H 51413 2 76 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.1196 0.035316 . . . 180 GLY N . 180 GLY H 51413 2 77 . 1 1 139 139 GLY N N 15 . 1 1 139 139 GLY H H 1 0.0907 0.082092 . . . 182 GLY N . 182 GLY H 51413 2 78 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 -0.0922 0.032721 . . . 186 THR N . 186 THR H 51413 2 79 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 -0.0902 0.05162 . . . 187 GLY N . 187 GLY H 51413 2 80 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 0.0492 0.028393 . . . 188 THR N . 188 THR H 51413 2 81 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.0536 0.020052 . . . 189 ALA N . 189 ALA H 51413 2 82 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 -0.1108 0.019823 . . . 192 GLY N . 192 GLY H 51413 2 83 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 0.11 0.026463 . . . 195 THR N . 195 THR H 51413 2 84 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.0213 0.011152 . . . 196 VAL N . 196 VAL H 51413 2 85 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 -0.1333 0.026493 . . . 198 ASN N . 198 ASN H 51413 2 86 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 0.0494 0.016826 . . . 199 THR N . 199 THR H 51413 2 87 . 1 1 157 157 THR N N 15 . 1 1 157 157 THR H H 1 -0.0628 0.019864 . . . 200 THR N . 200 THR H 51413 2 88 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 -0.1134 0.022307 . . . 201 GLN N . 201 GLN H 51413 2 89 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.1382 0.021986 . . . 202 ALA N . 202 ALA H 51413 2 90 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -0.1249 0.030494 . . . 203 SER N . 203 SER H 51413 2 91 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 -0.0878 0.0191 . . . 204 THR N . 204 THR H 51413 2 92 . 1 1 164 164 GLN N N 15 . 1 1 164 164 GLN H H 1 -0.1194 0.017935 . . . 207 GLN N . 207 GLN H 51413 2 93 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.1335 0.022584 . . . 210 THR N . 210 THR H 51413 2 94 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 0.0342 0.017655 . . . 227 ALA N . 227 ALA H 51413 2 95 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 0.1649 0.0153 . . . 228 VAL N . 228 VAL H 51413 2 96 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 0.0562 0.01074 . . . 229 THR N . 229 THR H 51413 2 97 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 0.4016 0.0082397 . . . 231 ASP N . 231 ASP H 51413 2 98 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 0.1454 0.010307 . . . 233 ILE N . 233 ILE H 51413 2 99 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.0931 0.010529 . . . 234 VAL N . 234 VAL H 51413 2 100 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 -0.0523 0.013414 . . . 235 GLN N . 235 GLN H 51413 2 101 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.174 0.011316 . . . 238 VAL N . 238 VAL H 51413 2 102 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.0706 0.018814 . . . 240 THR N . 240 THR H 51413 2 103 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.0717 0.013944 . . . 241 VAL N . 241 VAL H 51413 2 104 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 0.0495 0.011829 . . . 242 VAL N . 242 VAL H 51413 2 105 . 1 1 206 206 THR N N 15 . 1 1 206 206 THR H H 1 -0.0517 0.017908 . . . 249 THR N . 249 THR H 51413 2 106 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.2431 0.012042 . . . 274 ILE N . 274 ILE H 51413 2 107 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.2357 0.012116 . . . 275 ILE N . 275 ILE H 51413 2 108 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.0473 0.013206 . . . 276 ALA N . 276 ALA H 51413 2 109 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 -0.1061 0.0125 . . . 277 ALA N . 277 ALA H 51413 2 110 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 0.0935 0.015798 . . . 286 LYS N . 286 LYS H 51413 2 111 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 0.082 0.027371 . . . 287 GLY N . 287 GLY H 51413 2 112 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 0.1047 0.02373 . . . 292 ALA N . 292 ALA H 51413 2 113 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 0.044 0.017179 . . . 293 ASP N . 293 ASP H 51413 2 114 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.4845 0.022385 . . . 294 THR N . 294 THR H 51413 2 115 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.1163 0.016347 . . . 298 THR N . 298 THR H 51413 2 116 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.3067 0.020126 . . . 299 THR N . 299 THR H 51413 2 117 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 0.0491 0.012979 . . . 300 ILE N . 300 ILE H 51413 2 118 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 0.314 0.012238 . . . 303 ILE N . 303 ILE H 51413 2 119 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 0.1455 0.020776 . . . 304 HIS N . 304 HIS H 51413 2 120 . 1 1 262 262 GLU N N 15 . 1 1 262 262 GLU H H 1 0.1463 0.011941 . . . 305 GLU N . 305 GLU H 51413 2 121 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 0.1788 0.017339 . . . 308 SER N . 308 SER H 51413 2 122 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 0.0556 0.013555 . . . 309 LEU N . 309 LEU H 51413 2 123 . 1 1 275 275 LEU N N 15 . 1 1 275 275 LEU H H 1 0.2105 0.12575 . . . 318 LEU N . 318 LEU H 51413 2 124 . 1 1 285 285 VAL N N 15 . 1 1 285 285 VAL H H 1 0.0667 0.0051239 . . . 328 VAL N . 328 VAL H 51413 2 125 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.2262 0.015155 . . . 332 LYS N . 332 LYS H 51413 2 126 . 1 1 290 290 LYS N N 15 . 1 1 290 290 LYS H H 1 0.2148 0.018064 . . . 333 LYS N . 333 LYS H 51413 2 127 . 1 1 291 291 ASP N N 15 . 1 1 291 291 ASP H H 1 0.1208 0.018814 . . . 334 ASP N . 334 ASP H 51413 2 128 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 0.2551 0.0092175 . . . 335 VAL N . 335 VAL H 51413 2 129 . 1 1 294 294 ASP N N 15 . 1 1 294 294 ASP H H 1 0.0614 0.013099 . . . 337 ASP N . 337 ASP H 51413 2 130 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 0.1883 0.024761 . . . 338 SER N . 338 SER H 51413 2 131 . 1 1 296 296 GLN N N 15 . 1 1 296 296 GLN H H 1 0.5367 0.011877 . . . 339 GLN N . 339 GLN H 51413 2 132 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 0.14 0.016098 . . . 343 ALA N . 343 ALA H 51413 2 133 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 0.2994 0.016715 . . . 345 GLU N . 345 GLU H 51413 2 134 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.347 0.039891 . . . 347 SER N . 347 SER H 51413 2 135 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.6173 0.028706 . . . 350 VAL N . 350 VAL H 51413 2 136 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.6708 0.039094 . . . 351 SER N . 351 SER H 51413 2 137 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.9088 0.090173 . . . 352 GLU N . 352 GLU H 51413 2 138 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.7291 0.060541 . . . 353 GLN N . 353 GLN H 51413 2 139 . 1 1 312 312 LYS N N 15 . 1 1 312 312 LYS H H 1 0.8127 0.038731 . . . 355 LYS N . 355 LYS H 51413 2 140 . 1 1 315 315 SER N N 15 . 1 1 315 315 SER H H 1 0.8724 0.042794 . . . 358 SER N . 358 SER H 51413 2 141 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.9171 0.049787 . . . 359 GLY N . 359 GLY H 51413 2 142 . 1 1 317 317 ILE N N 15 . 1 1 317 317 ILE H H 1 0.9567 0.050151 . . . 360 ILE N . 360 ILE H 51413 2 143 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.8971 0.041046 . . . 363 GLU N . 363 GLU H 51413 2 144 . 1 1 321 321 MET N N 15 . 1 1 321 321 MET H H 1 0.934 0.0465 . . . 364 MET N . 364 MET H 51413 2 145 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.8877 0.045133 . . . 365 PHE N . 365 PHE H 51413 2 146 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.8592 0.039706 . . . 370 ALA N . 370 ALA H 51413 2 147 . 1 1 328 328 ALA N N 15 . 1 1 328 328 ALA H H 1 0.8397 0.040228 . . . 371 ALA N . 371 ALA H 51413 2 148 . 1 1 329 329 TYR N N 15 . 1 1 329 329 TYR H H 1 0.7147 0.069143 . . . 372 TYR N . 372 TYR H 51413 2 149 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8723 0.037487 . . . 374 TRP N . 374 TRP H 51413 2 150 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.9512 0.042381 . . . 377 TYR N . 377 TYR H 51413 2 151 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.8252 0.032535 . . . 378 LYS N . 378 LYS H 51413 2 152 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.8933 0.032762 . . . 380 VAL N . 380 VAL H 51413 2 153 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.7737 0.028533 . . . 381 ASP N . 381 ASP H 51413 2 154 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6941 0.028433 . . . 382 VAL N . 382 VAL H 51413 2 155 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.7947 0.041202 . . . 384 ALA N . 384 ALA H 51413 2 156 . 1 1 346 346 ASP N N 15 . 1 1 346 346 ASP H H 1 0.8795 0.031828 . . . 389 ASP N . 389 ASP H 51413 2 157 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.8009 0.040297 . . . 391 CYS N . 391 CYS H 51413 2 158 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.7695 0.041576 . . . 392 ASP N . 392 ASP H 51413 2 159 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.8756 0.046552 . . . 393 ILE N . 393 ILE H 51413 2 160 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8284 0.025042 . . . 399 ASP N . 399 ASP H 51413 2 161 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.8923 0.03573 . . . 400 MET N . 400 MET H 51413 2 162 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.9282 0.033835 . . . 401 SER N . 401 SER H 51413 2 163 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.9198 0.039544 . . . 403 ILE N . 403 ILE H 51413 2 164 . 1 1 361 361 LYS N N 15 . 1 1 361 361 LYS H H 1 0.9819 0.041617 . . . 404 LYS N . 404 LYS H 51413 2 165 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.7946 0.030509 . . . 405 SER N . 405 SER H 51413 2 166 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.8347 0.043064 . . . 407 LEU N . 407 LEU H 51413 2 167 . 1 1 365 365 GLU N N 15 . 1 1 365 365 GLU H H 1 0.8019 0.031232 . . . 408 GLU N . 408 GLU H 51413 2 168 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.8546 0.03563 . . . 409 ALA N . 409 ALA H 51413 2 169 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.8792 0.034201 . . . 410 ARG N . 410 ARG H 51413 2 170 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.7996 0.028903 . . . 412 TYR N . 412 TYR H 51413 2 171 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.7819 0.033969 . . . 413 ARG N . 413 ARG H 51413 2 172 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.8154 0.035099 . . . 414 ASP N . 414 ASP H 51413 2 173 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.8478 0.034341 . . . 415 ALA N . 415 ALA H 51413 2 174 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.7078 0.036239 . . . 416 GLN N . 416 GLN H 51413 2 175 . 1 1 374 374 GLU N N 15 . 1 1 374 374 GLU H H 1 0.786 0.036854 . . . 417 GLU N . 417 GLU H 51413 2 176 . 1 1 375 375 PHE N N 15 . 1 1 375 375 PHE H H 1 0.9231 0.042786 . . . 418 PHE N . 418 PHE H 51413 2 177 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8317 0.048022 . . . 419 GLY N . 419 GLY H 51413 2 178 . 1 1 377 377 ALA N N 15 . 1 1 377 377 ALA H H 1 0.4512 0.083934 . . . 420 ALA N . 420 ALA H 51413 2 179 . 1 1 378 378 ASP N N 15 . 1 1 378 378 ASP H H 1 0.9301 0.035778 . . . 421 ASP N . 421 ASP H 51413 2 180 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.836 0.038294 . . . 422 VAL N . 422 VAL H 51413 2 181 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.9054 0.050395 . . . 423 ARG N . 423 ARG H 51413 2 182 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.818 0.041891 . . . 425 MET N . 425 MET H 51413 2 183 . 1 1 383 383 PHE N N 15 . 1 1 383 383 PHE H H 1 0.9388 0.055644 . . . 426 PHE N . 426 PHE H 51413 2 184 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.842 0.042048 . . . 429 CYS N . 429 CYS H 51413 2 185 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 0.876 0.045708 . . . 436 ASP N . 436 ASP H 51413 2 186 . 1 1 394 394 HIS N N 15 . 1 1 394 394 HIS H H 1 0.5856 0.12569 . . . 437 HIS N . 437 HIS H 51413 2 187 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.9131 0.065033 . . . 438 GLU N . 438 GLU H 51413 2 188 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.8094 0.042949 . . . 440 VAL N . 440 VAL H 51413 2 189 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 0.7788 0.057538 . . . 441 ALA N . 441 ALA H 51413 2 190 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.9049 0.070037 . . . 445 LYS N . 445 LYS H 51413 2 191 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.9526 0.091939 . . . 447 GLN N . 447 GLN H 51413 2 192 . 1 1 407 407 PHE N N 15 . 1 1 407 407 PHE H H 1 1.0735 0.065157 . . . 450 PHE N . 450 PHE H 51413 2 193 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.7804 0.076014 . . . 451 GLU N . 451 GLU H 51413 2 194 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.9845 0.082309 . . . 453 ARG N . 453 ARG H 51413 2 195 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.8612 0.076353 . . . 454 PHE N . 454 PHE H 51413 2 196 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.7867 0.03664 . . . 455 ALA N . 455 ALA H 51413 2 197 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 0.2357 0.02125 . . . 460 GLU N . 460 GLU H 51413 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51413 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'BRD4 15N-T1 600' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 'T1/R1 relaxation' . . . 51413 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 51413 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 6 6 GLU N N 15 1.2407 0.008852 . . 49 GLU N 51413 1 2 . 1 1 12 12 LYS N N 15 0.82722 0.015905 . . 55 LYS N 51413 1 3 . 1 1 14 14 LYS N N 15 1.208 0.026671 . . 57 LYS N 51413 1 4 . 1 1 15 15 ARG N N 15 1.2097 0.02514 . . 58 ARG N 51413 1 5 . 1 1 17 17 THR N N 15 1.2258 0.070514 . . 60 THR N 51413 1 6 . 1 1 22 22 TYR N N 15 0.81251 0.027381 . . 65 TYR N 51413 1 7 . 1 1 24 24 LEU N N 15 0.77199 0.028513 . . 67 LEU N 51413 1 8 . 1 1 25 25 ARG N N 15 0.79868 0.035902 . . 68 ARG N 51413 1 9 . 1 1 27 27 VAL N N 15 0.66685 0.031992 . . 70 VAL N 51413 1 10 . 1 1 28 28 LEU N N 15 0.75115 0.025997 . . 71 LEU N 51413 1 11 . 1 1 30 30 THR N N 15 0.76205 0.02444 . . 73 THR N 51413 1 12 . 1 1 32 32 TRP N N 15 0.69998 0.024209 . . 75 TRP N 51413 1 13 . 1 1 33 33 LYS N N 15 0.81457 0.030257 . . 76 LYS N 51413 1 14 . 1 1 35 35 GLN N N 15 0.82611 0.018295 . . 78 GLN N 51413 1 15 . 1 1 36 36 PHE N N 15 0.7522 0.046439 . . 79 PHE N 51413 1 16 . 1 1 38 38 TRP N N 15 0.84855 0.03489 . . 81 TRP N 51413 1 17 . 1 1 40 40 PHE N N 15 0.83654 0.034397 . . 83 PHE N 51413 1 18 . 1 1 42 42 GLN N N 15 0.7968 0.018291 . . 85 GLN N 51413 1 19 . 1 1 44 44 VAL N N 15 0.80155 0.016693 . . 87 VAL N 51413 1 20 . 1 1 45 45 ASP N N 15 0.84674 0.020753 . . 88 ASP N 51413 1 21 . 1 1 46 46 ALA N N 15 0.69384 0.029871 . . 89 ALA N 51413 1 22 . 1 1 47 47 VAL N N 15 0.72756 0.028938 . . 90 VAL N 51413 1 23 . 1 1 48 48 LYS N N 15 0.78999 0.026694 . . 91 LYS N 51413 1 24 . 1 1 49 49 LEU N N 15 0.69454 0.034015 . . 92 LEU N 51413 1 25 . 1 1 50 50 ASN N N 15 0.79614 0.018348 . . 93 ASN N 51413 1 26 . 1 1 55 55 TYR N N 15 0.78889 0.033452 . . 98 TYR N 51413 1 27 . 1 1 56 56 LYS N N 15 0.81502 0.05816 . . 99 LYS N 51413 1 28 . 1 1 57 57 ILE N N 15 0.92927 0.042532 . . 100 ILE N 51413 1 29 . 1 1 59 59 LYS N N 15 0.78009 0.016096 . . 102 LYS N 51413 1 30 . 1 1 60 60 THR N N 15 0.78082 0.021344 . . 103 THR N 51413 1 31 . 1 1 62 62 MET N N 15 0.73776 0.03651 . . 105 MET N 51413 1 32 . 1 1 63 63 ASP N N 15 0.66642 0.01648 . . 106 ASP N 51413 1 33 . 1 1 64 64 MET N N 15 0.69635 0.024354 . . 107 MET N 51413 1 34 . 1 1 65 65 GLY N N 15 0.71446 0.031357 . . 108 GLY N 51413 1 35 . 1 1 67 67 ILE N N 15 0.71344 0.025151 . . 110 ILE N 51413 1 36 . 1 1 68 68 LYS N N 15 0.8015 0.027435 . . 111 LYS N 51413 1 37 . 1 1 69 69 LYS N N 15 0.74732 0.032318 . . 112 LYS N 51413 1 38 . 1 1 70 70 ARG N N 15 0.74161 0.034068 . . 113 ARG N 51413 1 39 . 1 1 71 71 LEU N N 15 0.71276 0.031918 . . 114 LEU N 51413 1 40 . 1 1 72 72 GLU N N 15 0.67447 0.029486 . . 115 GLU N 51413 1 41 . 1 1 73 73 ASN N N 15 0.68357 0.028077 . . 116 ASN N 51413 1 42 . 1 1 75 75 TYR N N 15 0.81611 0.028425 . . 118 TYR N 51413 1 43 . 1 1 76 76 TYR N N 15 0.88106 0.022811 . . 119 TYR N 51413 1 44 . 1 1 77 77 TRP N N 15 0.72221 0.02774 . . 120 TRP N 51413 1 45 . 1 1 78 78 ASN N N 15 0.79394 0.040837 . . 121 ASN N 51413 1 46 . 1 1 79 79 ALA N N 15 0.73689 0.032248 . . 122 ALA N 51413 1 47 . 1 1 80 80 GLN N N 15 0.7398 0.017544 . . 123 GLN N 51413 1 48 . 1 1 82 82 CYS N N 15 0.72816 0.035101 . . 125 CYS N 51413 1 49 . 1 1 85 85 ASP N N 15 0.72606 0.024622 . . 128 ASP N 51413 1 50 . 1 1 87 87 ASN N N 15 0.72988 0.021897 . . 130 ASN N 51413 1 51 . 1 1 88 88 THR N N 15 0.68892 0.023718 . . 131 THR N 51413 1 52 . 1 1 89 89 MET N N 15 0.73473 0.023565 . . 132 MET N 51413 1 53 . 1 1 90 90 PHE N N 15 0.68727 0.019663 . . 133 PHE N 51413 1 54 . 1 1 91 91 THR N N 15 0.72381 0.06149 . . 134 THR N 51413 1 55 . 1 1 92 92 ASN N N 15 0.72833 0.023753 . . 135 ASN N 51413 1 56 . 1 1 94 94 TYR N N 15 0.70893 0.022821 . . 137 TYR N 51413 1 57 . 1 1 100 100 GLY N N 15 0.83133 0.10156 . . 143 GLY N 51413 1 58 . 1 1 104 104 VAL N N 15 0.74535 0.033436 . . 147 VAL N 51413 1 59 . 1 1 105 105 LEU N N 15 0.78233 0.035646 . . 148 LEU N 51413 1 60 . 1 1 108 108 GLU N N 15 0.71761 0.042596 . . 151 GLU N 51413 1 61 . 1 1 109 109 ALA N N 15 0.82776 0.023541 . . 152 ALA N 51413 1 62 . 1 1 110 110 LEU N N 15 0.81259 0.049709 . . 153 LEU N 51413 1 63 . 1 1 111 111 GLU N N 15 0.74285 0.06682 . . 154 GLU N 51413 1 64 . 1 1 112 112 LYS N N 15 0.80209 0.045623 . . 155 LYS N 51413 1 65 . 1 1 113 113 LEU N N 15 0.83014 0.030004 . . 156 LEU N 51413 1 66 . 1 1 114 114 PHE N N 15 0.80963 0.038702 . . 157 PHE N 51413 1 67 . 1 1 115 115 LEU N N 15 0.80703 0.028817 . . 158 LEU N 51413 1 68 . 1 1 116 116 GLN N N 15 0.78836 0.021834 . . 159 GLN N 51413 1 69 . 1 1 118 118 ILE N N 15 0.71412 0.032082 . . 161 ILE N 51413 1 70 . 1 1 119 119 ASN N N 15 0.79633 0.024307 . . 162 ASN N 51413 1 71 . 1 1 121 121 LEU N N 15 0.79148 0.024013 . . 164 LEU N 51413 1 72 . 1 1 132 132 GLN N N 15 1.0582 0.024126 . . 175 GLN N 51413 1 73 . 1 1 134 134 LYS N N 15 1.1309 0.019435 . . 177 LYS N 51413 1 74 . 1 1 139 139 GLY N N 15 1.5857 0.28362 . . 182 GLY N 51413 1 75 . 1 1 143 143 THR N N 15 1.1389 0.045879 . . 186 THR N 51413 1 76 . 1 1 144 144 GLY N N 15 1.0641 0.070649 . . 187 GLY N 51413 1 77 . 1 1 145 145 THR N N 15 1.0362 0.036213 . . 188 THR N 51413 1 78 . 1 1 146 146 ALA N N 15 1.0404 0.020693 . . 189 ALA N 51413 1 79 . 1 1 149 149 GLY N N 15 1.0195 0.017034 . . 192 GLY N 51413 1 80 . 1 1 150 150 VAL N N 15 1.1761 0.0087777 . . 193 VAL N 51413 1 81 . 1 1 152 152 THR N N 15 0.96438 0.029479 . . 195 THR N 51413 1 82 . 1 1 153 153 VAL N N 15 1.1399 0.0096423 . . 196 VAL N 51413 1 83 . 1 1 155 155 ASN N N 15 1.0473 0.028339 . . 198 ASN N 51413 1 84 . 1 1 156 156 THR N N 15 1.0939 0.017993 . . 199 THR N 51413 1 85 . 1 1 157 157 THR N N 15 1.071 0.022588 . . 200 THR N 51413 1 86 . 1 1 158 158 GLN N N 15 1.0801 0.026051 . . 201 GLN N 51413 1 87 . 1 1 159 159 ALA N N 15 0.99916 0.018102 . . 202 ALA N 51413 1 88 . 1 1 160 160 SER N N 15 0.85975 0.033023 . . 203 SER N 51413 1 89 . 1 1 161 161 THR N N 15 0.98229 0.01651 . . 204 THR N 51413 1 90 . 1 1 164 164 GLN N N 15 1.0891 0.013778 . . 207 GLN N 51413 1 91 . 1 1 167 167 THR N N 15 0.99575 0.016711 . . 210 THR N 51413 1 92 . 1 1 184 184 ALA N N 15 1.0904 0.01395 . . 227 ALA N 51413 1 93 . 1 1 185 185 VAL N N 15 1.1227 0.010967 . . 228 VAL N 51413 1 94 . 1 1 186 186 THR N N 15 1.1818 0.0098246 . . 229 THR N 51413 1 95 . 1 1 188 188 ASP N N 15 1.1289 0.0059008 . . 231 ASP N 51413 1 96 . 1 1 190 190 ILE N N 15 1.2679 0.0076333 . . 233 ILE N 51413 1 97 . 1 1 191 191 VAL N N 15 1.2626 0.0078212 . . 234 VAL N 51413 1 98 . 1 1 192 192 GLN N N 15 1.1461 0.011496 . . 235 GLN N 51413 1 99 . 1 1 195 195 VAL N N 15 1.1675 0.0075825 . . 238 VAL N 51413 1 100 . 1 1 197 197 THR N N 15 1.0299 0.015645 . . 240 THR N 51413 1 101 . 1 1 198 198 VAL N N 15 1.147 0.010936 . . 241 VAL N 51413 1 102 . 1 1 199 199 VAL N N 15 1.2065 0.0079535 . . 242 VAL N 51413 1 103 . 1 1 231 231 ILE N N 15 1.1815 0.0085367 . . 274 ILE N 51413 1 104 . 1 1 232 232 ILE N N 15 1.1649 0.0091794 . . 275 ILE N 51413 1 105 . 1 1 233 233 ALA N N 15 1.072 0.010847 . . 276 ALA N 51413 1 106 . 1 1 234 234 ALA N N 15 0.96527 0.0095468 . . 277 ALA N 51413 1 107 . 1 1 235 235 THR N N 15 1.3723 0.13559 . . 278 THR N 51413 1 108 . 1 1 243 243 LYS N N 15 1.2168 0.018119 . . 286 LYS N 51413 1 109 . 1 1 244 244 GLY N N 15 1.0908 0.031417 . . 287 GLY N 51413 1 110 . 1 1 249 249 ALA N N 15 1.1919 0.030817 . . 292 ALA N 51413 1 111 . 1 1 250 250 ASP N N 15 1.1238 0.018204 . . 293 ASP N 51413 1 112 . 1 1 251 251 THR N N 15 1.0296 0.024012 . . 294 THR N 51413 1 113 . 1 1 255 255 THR N N 15 1.1121 0.015099 . . 298 THR N 51413 1 114 . 1 1 256 256 THR N N 15 1.1339 0.019772 . . 299 THR N 51413 1 115 . 1 1 257 257 ILE N N 15 1.2035 0.01039 . . 300 ILE N 51413 1 116 . 1 1 260 260 ILE N N 15 1.3365 0.0096953 . . 303 ILE N 51413 1 117 . 1 1 261 261 HIS N N 15 1.2102 0.025913 . . 304 HIS N 51413 1 118 . 1 1 262 262 GLU N N 15 1.1333 0.013814 . . 305 GLU N 51413 1 119 . 1 1 265 265 SER N N 15 1.0818 0.014504 . . 308 SER N 51413 1 120 . 1 1 266 266 LEU N N 15 1.1267 0.011168 . . 309 LEU N 51413 1 121 . 1 1 285 285 VAL N N 15 1.0945 0.0041521 . . 328 VAL N 51413 1 122 . 1 1 289 289 LYS N N 15 1.2531 0.015725 . . 332 LYS N 51413 1 123 . 1 1 290 290 LYS N N 15 1.2062 0.021043 . . 333 LYS N 51413 1 124 . 1 1 291 291 ASP N N 15 1.2337 0.018845 . . 334 ASP N 51413 1 125 . 1 1 292 292 VAL N N 15 1.1198 0.0074405 . . 335 VAL N 51413 1 126 . 1 1 294 294 ASP N N 15 1.2083 0.012935 . . 337 ASP N 51413 1 127 . 1 1 295 295 SER N N 15 1.1965 0.032014 . . 338 SER N 51413 1 128 . 1 1 300 300 ALA N N 15 1.1505 0.01386 . . 343 ALA N 51413 1 129 . 1 1 302 302 GLU N N 15 1.1835 0.014331 . . 345 GLU N 51413 1 130 . 1 1 304 304 SER N N 15 1.1172 0.07202 . . 347 SER N 51413 1 131 . 1 1 307 307 VAL N N 15 0.97394 0.032295 . . 350 VAL N 51413 1 132 . 1 1 308 308 SER N N 15 0.95709 0.038827 . . 351 SER N 51413 1 133 . 1 1 309 309 GLU N N 15 0.85152 0.071829 . . 352 GLU N 51413 1 134 . 1 1 310 310 GLN N N 15 0.91291 0.058584 . . 353 GLN N 51413 1 135 . 1 1 315 315 SER N N 15 0.90928 0.041818 . . 358 SER N 51413 1 136 . 1 1 316 316 GLY N N 15 0.80628 0.043332 . . 359 GLY N 51413 1 137 . 1 1 320 320 GLU N N 15 0.82751 0.041761 . . 363 GLU N 51413 1 138 . 1 1 322 322 PHE N N 15 0.75858 0.03911 . . 365 PHE N 51413 1 139 . 1 1 327 327 ALA N N 15 0.84121 0.035983 . . 370 ALA N 51413 1 140 . 1 1 331 331 TRP N N 15 0.85672 0.037999 . . 374 TRP N 51413 1 141 . 1 1 334 334 TYR N N 15 0.76184 0.035976 . . 377 TYR N 51413 1 142 . 1 1 335 335 LYS N N 15 0.75605 0.025362 . . 378 LYS N 51413 1 143 . 1 1 337 337 VAL N N 15 0.79858 0.019354 . . 380 VAL N 51413 1 144 . 1 1 338 338 ASP N N 15 0.89063 0.018341 . . 381 ASP N 51413 1 145 . 1 1 339 339 VAL N N 15 0.72185 0.020329 . . 382 VAL N 51413 1 146 . 1 1 341 341 ALA N N 15 0.74779 0.030297 . . 384 ALA N 51413 1 147 . 1 1 346 346 ASP N N 15 0.74683 0.017102 . . 389 ASP N 51413 1 148 . 1 1 348 348 CYS N N 15 0.80357 0.029753 . . 391 CYS N 51413 1 149 . 1 1 349 349 ASP N N 15 0.77149 0.039355 . . 392 ASP N 51413 1 150 . 1 1 350 350 ILE N N 15 0.82037 0.048921 . . 393 ILE N 51413 1 151 . 1 1 356 356 ASP N N 15 0.72972 0.021827 . . 399 ASP N 51413 1 152 . 1 1 357 357 MET N N 15 0.69083 0.029973 . . 400 MET N 51413 1 153 . 1 1 358 358 SER N N 15 0.71238 0.026019 . . 401 SER N 51413 1 154 . 1 1 360 360 ILE N N 15 0.7008 0.039525 . . 403 ILE N 51413 1 155 . 1 1 362 362 SER N N 15 0.71473 0.031994 . . 405 SER N 51413 1 156 . 1 1 364 364 LEU N N 15 0.77476 0.042378 . . 407 LEU N 51413 1 157 . 1 1 365 365 GLU N N 15 0.70676 0.027962 . . 408 GLU N 51413 1 158 . 1 1 366 366 ALA N N 15 0.76851 0.038942 . . 409 ALA N 51413 1 159 . 1 1 367 367 ARG N N 15 0.88702 0.035317 . . 410 ARG N 51413 1 160 . 1 1 369 369 TYR N N 15 0.86543 0.025807 . . 412 TYR N 51413 1 161 . 1 1 370 370 ARG N N 15 0.76226 0.030798 . . 413 ARG N 51413 1 162 . 1 1 371 371 ASP N N 15 0.74422 0.034372 . . 414 ASP N 51413 1 163 . 1 1 372 372 ALA N N 15 0.7358 0.028921 . . 415 ALA N 51413 1 164 . 1 1 373 373 GLN N N 15 0.79885 0.03858 . . 416 GLN N 51413 1 165 . 1 1 376 376 GLY N N 15 0.78368 0.058786 . . 419 GLY N 51413 1 166 . 1 1 379 379 VAL N N 15 0.7451 0.051259 . . 422 VAL N 51413 1 167 . 1 1 380 380 ARG N N 15 0.6891 0.032594 . . 423 ARG N 51413 1 168 . 1 1 382 382 MET N N 15 0.77212 0.045328 . . 425 MET N 51413 1 169 . 1 1 386 386 CYS N N 15 0.75119 0.044131 . . 429 CYS N 51413 1 170 . 1 1 393 393 ASP N N 15 0.92014 0.037203 . . 436 ASP N 51413 1 171 . 1 1 395 395 GLU N N 15 0.74749 0.041183 . . 438 GLU N 51413 1 172 . 1 1 397 397 VAL N N 15 0.79215 0.044947 . . 440 VAL N 51413 1 173 . 1 1 398 398 ALA N N 15 0.76038 0.055069 . . 441 ALA N 51413 1 174 . 1 1 402 402 LYS N N 15 0.72743 0.059571 . . 445 LYS N 51413 1 175 . 1 1 404 404 GLN N N 15 0.80481 0.078994 . . 447 GLN N 51413 1 176 . 1 1 407 407 PHE N N 15 0.81155 0.05607 . . 450 PHE N 51413 1 177 . 1 1 408 408 GLU N N 15 0.62072 0.069575 . . 451 GLU N 51413 1 178 . 1 1 410 410 ARG N N 15 0.81682 0.075158 . . 453 ARG N 51413 1 179 . 1 1 411 411 PHE N N 15 0.72781 0.081511 . . 454 PHE N 51413 1 180 . 1 1 412 412 ALA N N 15 0.80909 0.038736 . . 455 ALA N 51413 1 181 . 1 1 417 417 GLU N N 15 1.1727 0.016144 . . 460 GLU N 51413 1 stop_ save_ save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 51413 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name 'BRD4 15N-T1 800' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 7 'T1/R1 relaxation' . . . 51413 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 51413 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 6 6 GLU N N 15 1.2457 0.008944 . . 49 GLU N 51413 2 2 . 1 1 12 12 LYS N N 15 0.66839 0.016128 . . 55 LYS N 51413 2 3 . 1 1 14 14 LYS N N 15 1.2242 0.024854 . . 57 LYS N 51413 2 4 . 1 1 15 15 ARG N N 15 1.2469 0.02647 . . 58 ARG N 51413 2 5 . 1 1 17 17 THR N N 15 1.3474 0.076311 . . 60 THR N 51413 2 6 . 1 1 20 20 LEU N N 15 0.45667 0.024872 . . 63 LEU N 51413 2 7 . 1 1 22 22 TYR N N 15 0.57127 0.018369 . . 65 TYR N 51413 2 8 . 1 1 24 24 LEU N N 15 0.51495 0.021556 . . 67 LEU N 51413 2 9 . 1 1 25 25 ARG N N 15 0.57232 0.025111 . . 68 ARG N 51413 2 10 . 1 1 27 27 VAL N N 15 0.50411 0.024026 . . 70 VAL N 51413 2 11 . 1 1 28 28 LEU N N 15 0.48677 0.026656 . . 71 LEU N 51413 2 12 . 1 1 29 29 LYS N N 15 0.52574 0.018792 . . 72 LYS N 51413 2 13 . 1 1 30 30 THR N N 15 0.54821 0.018856 . . 73 THR N 51413 2 14 . 1 1 31 31 LEU N N 15 0.53631 0.019841 . . 74 LEU N 51413 2 15 . 1 1 32 32 TRP N N 15 0.51611 0.01729 . . 75 TRP N 51413 2 16 . 1 1 33 33 LYS N N 15 0.56193 0.022544 . . 76 LYS N 51413 2 17 . 1 1 35 35 GLN N N 15 0.62273 0.015247 . . 78 GLN N 51413 2 18 . 1 1 36 36 PHE N N 15 0.53907 0.058756 . . 79 PHE N 51413 2 19 . 1 1 38 38 TRP N N 15 0.656 0.039635 . . 81 TRP N 51413 2 20 . 1 1 40 40 PHE N N 15 0.61298 0.023491 . . 83 PHE N 51413 2 21 . 1 1 42 42 GLN N N 15 0.60183 0.014098 . . 85 GLN N 51413 2 22 . 1 1 44 44 VAL N N 15 0.53068 0.013672 . . 87 VAL N 51413 2 23 . 1 1 45 45 ASP N N 15 0.65121 0.020463 . . 88 ASP N 51413 2 24 . 1 1 46 46 ALA N N 15 0.45862 0.021976 . . 89 ALA N 51413 2 25 . 1 1 47 47 VAL N N 15 0.46432 0.019029 . . 90 VAL N 51413 2 26 . 1 1 48 48 LYS N N 15 0.53016 0.019905 . . 91 LYS N 51413 2 27 . 1 1 49 49 LEU N N 15 0.47705 0.024635 . . 92 LEU N 51413 2 28 . 1 1 50 50 ASN N N 15 0.56503 0.014153 . . 93 ASN N 51413 2 29 . 1 1 55 55 TYR N N 15 0.56477 0.029001 . . 98 TYR N 51413 2 30 . 1 1 56 56 LYS N N 15 0.55675 0.051593 . . 99 LYS N 51413 2 31 . 1 1 57 57 ILE N N 15 0.61122 0.028831 . . 100 ILE N 51413 2 32 . 1 1 59 59 LYS N N 15 0.57947 0.012365 . . 102 LYS N 51413 2 33 . 1 1 60 60 THR N N 15 0.5256 0.01648 . . 103 THR N 51413 2 34 . 1 1 62 62 MET N N 15 0.47369 0.026219 . . 105 MET N 51413 2 35 . 1 1 63 63 ASP N N 15 0.46559 0.012704 . . 106 ASP N 51413 2 36 . 1 1 64 64 MET N N 15 0.46322 0.017343 . . 107 MET N 51413 2 37 . 1 1 65 65 GLY N N 15 0.55062 0.031216 . . 108 GLY N 51413 2 38 . 1 1 67 67 ILE N N 15 0.48488 0.017886 . . 110 ILE N 51413 2 39 . 1 1 68 68 LYS N N 15 0.51086 0.020216 . . 111 LYS N 51413 2 40 . 1 1 69 69 LYS N N 15 0.49336 0.023803 . . 112 LYS N 51413 2 41 . 1 1 70 70 ARG N N 15 0.50943 0.029616 . . 113 ARG N 51413 2 42 . 1 1 71 71 LEU N N 15 0.46784 0.023845 . . 114 LEU N 51413 2 43 . 1 1 72 72 GLU N N 15 0.49975 0.023957 . . 115 GLU N 51413 2 44 . 1 1 73 73 ASN N N 15 0.4998 0.024804 . . 116 ASN N 51413 2 45 . 1 1 75 75 TYR N N 15 0.59863 0.025331 . . 118 TYR N 51413 2 46 . 1 1 76 76 TYR N N 15 0.64512 0.019625 . . 119 TYR N 51413 2 47 . 1 1 77 77 TRP N N 15 0.53306 0.022917 . . 120 TRP N 51413 2 48 . 1 1 78 78 ASN N N 15 0.49305 0.037272 . . 121 ASN N 51413 2 49 . 1 1 79 79 ALA N N 15 0.50284 0.035077 . . 122 ALA N 51413 2 50 . 1 1 80 80 GLN N N 15 0.49802 0.016457 . . 123 GLN N 51413 2 51 . 1 1 82 82 CYS N N 15 0.49881 0.023374 . . 125 CYS N 51413 2 52 . 1 1 84 84 GLN N N 15 0.64123 0.093871 . . 127 GLN N 51413 2 53 . 1 1 85 85 ASP N N 15 0.51584 0.017083 . . 128 ASP N 51413 2 54 . 1 1 87 87 ASN N N 15 0.46192 0.018068 . . 130 ASN N 51413 2 55 . 1 1 88 88 THR N N 15 0.48255 0.019777 . . 131 THR N 51413 2 56 . 1 1 89 89 MET N N 15 0.48063 0.017722 . . 132 MET N 51413 2 57 . 1 1 90 90 PHE N N 15 0.45105 0.017223 . . 133 PHE N 51413 2 58 . 1 1 91 91 THR N N 15 0.58571 0.087671 . . 134 THR N 51413 2 59 . 1 1 92 92 ASN N N 15 0.49473 0.019336 . . 135 ASN N 51413 2 60 . 1 1 94 94 TYR N N 15 0.47703 0.017546 . . 137 TYR N 51413 2 61 . 1 1 104 104 VAL N N 15 0.56251 0.025526 . . 147 VAL N 51413 2 62 . 1 1 105 105 LEU N N 15 0.59333 0.030451 . . 148 LEU N 51413 2 63 . 1 1 108 108 GLU N N 15 0.52879 0.03729 . . 151 GLU N 51413 2 64 . 1 1 109 109 ALA N N 15 0.60732 0.01755 . . 152 ALA N 51413 2 65 . 1 1 110 110 LEU N N 15 0.57422 0.039227 . . 153 LEU N 51413 2 66 . 1 1 111 111 GLU N N 15 0.57513 0.065118 . . 154 GLU N 51413 2 67 . 1 1 112 112 LYS N N 15 0.49402 0.037797 . . 155 LYS N 51413 2 68 . 1 1 113 113 LEU N N 15 0.60941 0.018611 . . 156 LEU N 51413 2 69 . 1 1 114 114 PHE N N 15 0.56486 0.029549 . . 157 PHE N 51413 2 70 . 1 1 115 115 LEU N N 15 0.55691 0.024422 . . 158 LEU N 51413 2 71 . 1 1 116 116 GLN N N 15 0.58882 0.016191 . . 159 GLN N 51413 2 72 . 1 1 117 117 LYS N N 15 0.61913 0.019458 . . 160 LYS N 51413 2 73 . 1 1 118 118 ILE N N 15 0.52553 0.027895 . . 161 ILE N 51413 2 74 . 1 1 119 119 ASN N N 15 0.58836 0.016936 . . 162 ASN N 51413 2 75 . 1 1 121 121 LEU N N 15 0.55405 0.016155 . . 164 LEU N 51413 2 76 . 1 1 132 132 GLN N N 15 0.98815 0.019777 . . 175 GLN N 51413 2 77 . 1 1 134 134 LYS N N 15 1.1238 0.018661 . . 177 LYS N 51413 2 78 . 1 1 137 137 GLY N N 15 1.206 0.056157 . . 180 GLY N 51413 2 79 . 1 1 139 139 GLY N N 15 1.2313 0.18873 . . 182 GLY N 51413 2 80 . 1 1 143 143 THR N N 15 1.1093 0.044584 . . 186 THR N 51413 2 81 . 1 1 144 144 GLY N N 15 1.1839 0.084933 . . 187 GLY N 51413 2 82 . 1 1 145 145 THR N N 15 1.0853 0.038288 . . 188 THR N 51413 2 83 . 1 1 146 146 ALA N N 15 1.0961 0.021394 . . 189 ALA N 51413 2 84 . 1 1 149 149 GLY N N 15 1.0762 0.019954 . . 192 GLY N 51413 2 85 . 1 1 150 150 VAL N N 15 1.1879 0.007558 . . 193 VAL N 51413 2 86 . 1 1 152 152 THR N N 15 1.0841 0.030965 . . 195 THR N 51413 2 87 . 1 1 153 153 VAL N N 15 1.216 0.0087507 . . 196 VAL N 51413 2 88 . 1 1 155 155 ASN N N 15 1.0623 0.02698 . . 198 ASN N 51413 2 89 . 1 1 156 156 THR N N 15 1.1362 0.019221 . . 199 THR N 51413 2 90 . 1 1 157 157 THR N N 15 1.1628 0.022537 . . 200 THR N 51413 2 91 . 1 1 158 158 GLN N N 15 1.1267 0.026799 . . 201 GLN N 51413 2 92 . 1 1 159 159 ALA N N 15 1.0726 0.01784 . . 202 ALA N 51413 2 93 . 1 1 160 160 SER N N 15 0.93773 0.028835 . . 203 SER N 51413 2 94 . 1 1 161 161 THR N N 15 1.0574 0.015707 . . 204 THR N 51413 2 95 . 1 1 164 164 GLN N N 15 1.1179 0.014258 . . 207 GLN N 51413 2 96 . 1 1 167 167 THR N N 15 1.0235 0.015495 . . 210 THR N 51413 2 97 . 1 1 184 184 ALA N N 15 1.132 0.013172 . . 227 ALA N 51413 2 98 . 1 1 185 185 VAL N N 15 1.1456 0.0093234 . . 228 VAL N 51413 2 99 . 1 1 186 186 THR N N 15 1.2218 0.0095147 . . 229 THR N 51413 2 100 . 1 1 188 188 ASP N N 15 1.0834 0.0057517 . . 231 ASP N 51413 2 101 . 1 1 190 190 ILE N N 15 1.2727 0.0066351 . . 233 ILE N 51413 2 102 . 1 1 191 191 VAL N N 15 1.2701 0.0063984 . . 234 VAL N 51413 2 103 . 1 1 192 192 GLN N N 15 1.197 0.011873 . . 235 GLN N 51413 2 104 . 1 1 195 195 VAL N N 15 1.1923 0.0067563 . . 238 VAL N 51413 2 105 . 1 1 197 197 THR N N 15 1.0661 0.015998 . . 240 THR N 51413 2 106 . 1 1 198 198 VAL N N 15 1.1452 0.0098096 . . 241 VAL N 51413 2 107 . 1 1 199 199 VAL N N 15 1.2145 0.0072494 . . 242 VAL N 51413 2 108 . 1 1 206 206 THR N N 15 1.0874 0.01304 . . 249 THR N 51413 2 109 . 1 1 231 231 ILE N N 15 1.1995 0.0076194 . . 274 ILE N 51413 2 110 . 1 1 232 232 ILE N N 15 1.1841 0.0080724 . . 275 ILE N 51413 2 111 . 1 1 233 233 ALA N N 15 1.0824 0.010913 . . 276 ALA N 51413 2 112 . 1 1 234 234 ALA N N 15 0.98438 0.011015 . . 277 ALA N 51413 2 113 . 1 1 235 235 THR N N 15 1.2748 0.13841 . . 278 THR N 51413 2 114 . 1 1 243 243 LYS N N 15 1.2708 0.017036 . . 286 LYS N 51413 2 115 . 1 1 244 244 GLY N N 15 1.188 0.03299 . . 287 GLY N 51413 2 116 . 1 1 249 249 ALA N N 15 1.2816 0.029906 . . 292 ALA N 51413 2 117 . 1 1 250 250 ASP N N 15 1.1801 0.01738 . . 293 ASP N 51413 2 118 . 1 1 251 251 THR N N 15 1.0224 0.022882 . . 294 THR N 51413 2 119 . 1 1 255 255 THR N N 15 1.204 0.015048 . . 298 THR N 51413 2 120 . 1 1 256 256 THR N N 15 1.2017 0.019573 . . 299 THR N 51413 2 121 . 1 1 257 257 ILE N N 15 1.2516 0.010687 . . 300 ILE N 51413 2 122 . 1 1 260 260 ILE N N 15 1.3333 0.0081552 . . 303 ILE N 51413 2 123 . 1 1 261 261 HIS N N 15 1.2721 0.022342 . . 304 HIS N 51413 2 124 . 1 1 262 262 GLU N N 15 1.1906 0.013981 . . 305 GLU N 51413 2 125 . 1 1 265 265 SER N N 15 1.1409 0.014848 . . 308 SER N 51413 2 126 . 1 1 266 266 LEU N N 15 1.1347 0.010115 . . 309 LEU N 51413 2 127 . 1 1 275 275 LEU N N 15 1.288 0.10434 . . 318 LEU N 51413 2 128 . 1 1 285 285 VAL N N 15 1.1082 0.0042336 . . 328 VAL N 51413 2 129 . 1 1 289 289 LYS N N 15 1.2632 0.013743 . . 332 LYS N 51413 2 130 . 1 1 290 290 LYS N N 15 1.2147 0.020898 . . 333 LYS N 51413 2 131 . 1 1 291 291 ASP N N 15 1.2692 0.019845 . . 334 ASP N 51413 2 132 . 1 1 292 292 VAL N N 15 1.0984 0.0066227 . . 335 VAL N 51413 2 133 . 1 1 294 294 ASP N N 15 1.227 0.011876 . . 337 ASP N 51413 2 134 . 1 1 295 295 SER N N 15 1.201 0.027546 . . 338 SER N 51413 2 135 . 1 1 296 296 GLN N N 15 0.89018 0.010215 . . 339 GLN N 51413 2 136 . 1 1 300 300 ALA N N 15 1.1416 0.013311 . . 343 ALA N 51413 2 137 . 1 1 302 302 GLU N N 15 1.135 0.014442 . . 345 GLU N 51413 2 138 . 1 1 304 304 SER N N 15 1.0494 0.05438 . . 347 SER N 51413 2 139 . 1 1 307 307 VAL N N 15 0.76081 0.018853 . . 350 VAL N 51413 2 140 . 1 1 308 308 SER N N 15 0.71998 0.025208 . . 351 SER N 51413 2 141 . 1 1 309 309 GLU N N 15 0.56151 0.063138 . . 352 GLU N 51413 2 142 . 1 1 310 310 GLN N N 15 0.58347 0.047206 . . 353 GLN N 51413 2 143 . 1 1 312 312 LYS N N 15 0.56475 0.028348 . . 355 LYS N 51413 2 144 . 1 1 315 315 SER N N 15 0.59289 0.0267 . . 358 SER N 51413 2 145 . 1 1 316 316 GLY N N 15 0.56029 0.030372 . . 359 GLY N 51413 2 146 . 1 1 317 317 ILE N N 15 0.53604 0.030452 . . 360 ILE N 51413 2 147 . 1 1 320 320 GLU N N 15 0.6191 0.02533 . . 363 GLU N 51413 2 148 . 1 1 321 321 MET N N 15 0.57283 0.029479 . . 364 MET N 51413 2 149 . 1 1 322 322 PHE N N 15 0.51436 0.026627 . . 365 PHE N 51413 2 150 . 1 1 327 327 ALA N N 15 0.63344 0.026399 . . 370 ALA N 51413 2 151 . 1 1 328 328 ALA N N 15 0.61567 0.026622 . . 371 ALA N 51413 2 152 . 1 1 329 329 TYR N N 15 0.56833 0.07641 . . 372 TYR N 51413 2 153 . 1 1 331 331 TRP N N 15 0.57988 0.02341 . . 374 TRP N 51413 2 154 . 1 1 334 334 TYR N N 15 0.58393 0.026529 . . 377 TYR N 51413 2 155 . 1 1 335 335 LYS N N 15 0.53846 0.018501 . . 378 LYS N 51413 2 156 . 1 1 337 337 VAL N N 15 0.53022 0.013463 . . 380 VAL N 51413 2 157 . 1 1 338 338 ASP N N 15 0.68361 0.014177 . . 381 ASP N 51413 2 158 . 1 1 339 339 VAL N N 15 0.50976 0.012484 . . 382 VAL N 51413 2 159 . 1 1 341 341 ALA N N 15 0.53658 0.021263 . . 384 ALA N 51413 2 160 . 1 1 346 346 ASP N N 15 0.54052 0.013765 . . 389 ASP N 51413 2 161 . 1 1 348 348 CYS N N 15 0.52436 0.023069 . . 391 CYS N 51413 2 162 . 1 1 349 349 ASP N N 15 0.53069 0.029032 . . 392 ASP N 51413 2 163 . 1 1 350 350 ILE N N 15 0.60152 0.03127 . . 393 ILE N 51413 2 164 . 1 1 356 356 ASP N N 15 0.48966 0.015334 . . 399 ASP N 51413 2 165 . 1 1 357 357 MET N N 15 0.4544 0.021576 . . 400 MET N 51413 2 166 . 1 1 358 358 SER N N 15 0.49142 0.024024 . . 401 SER N 51413 2 167 . 1 1 360 360 ILE N N 15 0.46556 0.028078 . . 403 ILE N 51413 2 168 . 1 1 361 361 LYS N N 15 0.49924 0.024277 . . 404 LYS N 51413 2 169 . 1 1 362 362 SER N N 15 0.56854 0.023999 . . 405 SER N 51413 2 170 . 1 1 364 364 LEU N N 15 0.47566 0.031363 . . 407 LEU N 51413 2 171 . 1 1 365 365 GLU N N 15 0.52223 0.024879 . . 408 GLU N 51413 2 172 . 1 1 366 366 ALA N N 15 0.54456 0.022922 . . 409 ALA N 51413 2 173 . 1 1 367 367 ARG N N 15 0.64516 0.025699 . . 410 ARG N 51413 2 174 . 1 1 369 369 TYR N N 15 0.60486 0.015927 . . 412 TYR N 51413 2 175 . 1 1 370 370 ARG N N 15 0.54747 0.022491 . . 413 ARG N 51413 2 176 . 1 1 371 371 ASP N N 15 0.5465 0.023911 . . 414 ASP N 51413 2 177 . 1 1 372 372 ALA N N 15 0.53179 0.01899 . . 415 ALA N 51413 2 178 . 1 1 373 373 GLN N N 15 0.52358 0.029026 . . 416 GLN N 51413 2 179 . 1 1 374 374 GLU N N 15 0.64036 0.031362 . . 417 GLU N 51413 2 180 . 1 1 375 375 PHE N N 15 0.53643 0.032577 . . 418 PHE N 51413 2 181 . 1 1 376 376 GLY N N 15 0.49553 0.042666 . . 419 GLY N 51413 2 182 . 1 1 377 377 ALA N N 15 1.346 0.068431 . . 420 ALA N 51413 2 183 . 1 1 378 378 ASP N N 15 0.47826 0.026114 . . 421 ASP N 51413 2 184 . 1 1 379 379 VAL N N 15 0.47048 0.036713 . . 422 VAL N 51413 2 185 . 1 1 382 382 MET N N 15 0.46381 0.035388 . . 425 MET N 51413 2 186 . 1 1 383 383 PHE N N 15 0.49844 0.037786 . . 426 PHE N 51413 2 187 . 1 1 386 386 CYS N N 15 0.46469 0.027142 . . 429 CYS N 51413 2 188 . 1 1 393 393 ASP N N 15 0.63644 0.030871 . . 436 ASP N 51413 2 189 . 1 1 394 394 HIS N N 15 1.2762 0.094992 . . 437 HIS N 51413 2 190 . 1 1 395 395 GLU N N 15 0.52405 0.038223 . . 438 GLU N 51413 2 191 . 1 1 397 397 VAL N N 15 0.5258 0.029666 . . 440 VAL N 51413 2 192 . 1 1 398 398 ALA N N 15 0.52151 0.042665 . . 441 ALA N 51413 2 193 . 1 1 402 402 LYS N N 15 0.4818 0.052617 . . 445 LYS N 51413 2 194 . 1 1 404 404 GLN N N 15 0.58236 0.081261 . . 447 GLN N 51413 2 195 . 1 1 407 407 PHE N N 15 0.55458 0.036097 . . 450 PHE N 51413 2 196 . 1 1 408 408 GLU N N 15 0.48036 0.074518 . . 451 GLU N 51413 2 197 . 1 1 410 410 ARG N N 15 0.53574 0.056038 . . 453 ARG N 51413 2 198 . 1 1 411 411 PHE N N 15 0.47269 0.067553 . . 454 PHE N 51413 2 199 . 1 1 412 412 ALA N N 15 0.54423 0.025713 . . 455 ALA N 51413 2 200 . 1 1 417 417 GLU N N 15 1.0914 0.012629 . . 460 GLU N 51413 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51413 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'BRD4 15N-T2 600' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 'T2/R2 relaxation' . . . 51413 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $software_3 . . 51413 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 6 6 GLU N N 15 2.9885 0.026689 . . . . 49 GLU N 51413 1 2 . 1 1 12 12 LYS N N 15 14.8609 0.23619 . . . . 55 LYS N 51413 1 3 . 1 1 14 14 LYS N N 15 3.3004 0.076246 . . . . 57 LYS N 51413 1 4 . 1 1 15 15 ARG N N 15 2.5883 0.070059 . . . . 58 ARG N 51413 1 5 . 1 1 17 17 THR N N 15 2.3901 0.19389 . . . . 60 THR N 51413 1 6 . 1 1 22 22 TYR N N 15 23.9815 0.71784 . . . . 65 TYR N 51413 1 7 . 1 1 24 24 LEU N N 15 25.6559 0.9939 . . . . 67 LEU N 51413 1 8 . 1 1 25 25 ARG N N 15 22.7398 0.86808 . . . . 68 ARG N 51413 1 9 . 1 1 27 27 VAL N N 15 26.3024 1.2982 . . . . 70 VAL N 51413 1 10 . 1 1 28 28 LEU N N 15 26.3391 1.0406 . . . . 71 LEU N 51413 1 11 . 1 1 30 30 THR N N 15 25.8048 0.7835 . . . . 73 THR N 51413 1 12 . 1 1 32 32 TRP N N 15 25.9299 0.88799 . . . . 75 TRP N 51413 1 13 . 1 1 33 33 LYS N N 15 21.0112 0.70398 . . . . 76 LYS N 51413 1 14 . 1 1 35 35 GLN N N 15 20.4734 0.40508 . . . . 78 GLN N 51413 1 15 . 1 1 36 36 PHE N N 15 21.2644 1.0723 . . . . 79 PHE N 51413 1 16 . 1 1 38 38 TRP N N 15 19.5577 0.68698 . . . . 81 TRP N 51413 1 17 . 1 1 40 40 PHE N N 15 19.3995 0.62 . . . . 83 PHE N 51413 1 18 . 1 1 42 42 GLN N N 15 27.6231 0.72421 . . . . 85 GLN N 51413 1 19 . 1 1 44 44 VAL N N 15 21.2445 0.39276 . . . . 87 VAL N 51413 1 20 . 1 1 45 45 ASP N N 15 19.214 0.39643 . . . . 88 ASP N 51413 1 21 . 1 1 46 46 ALA N N 15 27.8819 1.2319 . . . . 89 ALA N 51413 1 22 . 1 1 47 47 VAL N N 15 35.8725 1.9959 . . . . 90 VAL N 51413 1 23 . 1 1 48 48 LYS N N 15 15.6399 0.48892 . . . . 91 LYS N 51413 1 24 . 1 1 49 49 LEU N N 15 31.1338 1.6326 . . . . 92 LEU N 51413 1 25 . 1 1 50 50 ASN N N 15 26.4415 0.65752 . . . . 93 ASN N 51413 1 26 . 1 1 55 55 TYR N N 15 21.8739 0.79639 . . . . 98 TYR N 51413 1 27 . 1 1 56 56 LYS N N 15 22.8447 1.7614 . . . . 99 LYS N 51413 1 28 . 1 1 57 57 ILE N N 15 21.4015 0.95027 . . . . 100 ILE N 51413 1 29 . 1 1 59 59 LYS N N 15 19.4264 0.38206 . . . . 102 LYS N 51413 1 30 . 1 1 60 60 THR N N 15 22.5202 0.60445 . . . . 103 THR N 51413 1 31 . 1 1 62 62 MET N N 15 23.7148 1.2062 . . . . 105 MET N 51413 1 32 . 1 1 63 63 ASP N N 15 27.1137 0.61131 . . . . 106 ASP N 51413 1 33 . 1 1 64 64 MET N N 15 28.3516 0.89549 . . . . 107 MET N 51413 1 34 . 1 1 65 65 GLY N N 15 27.8219 1.3819 . . . . 108 GLY N 51413 1 35 . 1 1 67 67 ILE N N 15 31.1617 1.1025 . . . . 110 ILE N 51413 1 36 . 1 1 68 68 LYS N N 15 33.5169 1.275 . . . . 111 LYS N 51413 1 37 . 1 1 69 69 LYS N N 15 29.6598 1.2428 . . . . 112 LYS N 51413 1 38 . 1 1 70 70 ARG N N 15 24.8284 1.0218 . . . . 113 ARG N 51413 1 39 . 1 1 71 71 LEU N N 15 29.8325 1.4254 . . . . 114 LEU N 51413 1 40 . 1 1 72 72 GLU N N 15 27.8531 1.2144 . . . . 115 GLU N 51413 1 41 . 1 1 73 73 ASN N N 15 22.8966 0.85582 . . . . 116 ASN N 51413 1 42 . 1 1 75 75 TYR N N 15 24.6131 0.8424 . . . . 118 TYR N 51413 1 43 . 1 1 76 76 TYR N N 15 22.1231 0.5134 . . . . 119 TYR N 51413 1 44 . 1 1 77 77 TRP N N 15 25.1515 0.84877 . . . . 120 TRP N 51413 1 45 . 1 1 78 78 ASN N N 15 29.8172 1.5749 . . . . 121 ASN N 51413 1 46 . 1 1 79 79 ALA N N 15 22.463 0.98573 . . . . 122 ALA N 51413 1 47 . 1 1 80 80 GLN N N 15 26.7504 0.66685 . . . . 123 GLN N 51413 1 48 . 1 1 82 82 CYS N N 15 23.1615 1.1784 . . . . 125 CYS N 51413 1 49 . 1 1 84 84 GLN N N 15 40.1705 4.6357 . . . . 127 GLN N 51413 1 50 . 1 1 85 85 ASP N N 15 28.3279 0.93476 . . . . 128 ASP N 51413 1 51 . 1 1 87 87 ASN N N 15 29.1642 1.0897 . . . . 130 ASN N 51413 1 52 . 1 1 88 88 THR N N 15 28.4676 0.99121 . . . . 131 THR N 51413 1 53 . 1 1 89 89 MET N N 15 26.2966 0.83956 . . . . 132 MET N 51413 1 54 . 1 1 90 90 PHE N N 15 25.6649 0.73841 . . . . 133 PHE N 51413 1 55 . 1 1 91 91 THR N N 15 24.0731 2.0456 . . . . 134 THR N 51413 1 56 . 1 1 92 92 ASN N N 15 29.0808 0.98934 . . . . 135 ASN N 51413 1 57 . 1 1 94 94 TYR N N 15 29.4786 1.0607 . . . . 137 TYR N 51413 1 58 . 1 1 100 100 GLY N N 15 29.3869 6.4449 . . . . 143 GLY N 51413 1 59 . 1 1 104 104 VAL N N 15 33.9041 1.7101 . . . . 147 VAL N 51413 1 60 . 1 1 105 105 LEU N N 15 30.3692 1.3862 . . . . 148 LEU N 51413 1 61 . 1 1 108 108 GLU N N 15 27.3801 1.5277 . . . . 151 GLU N 51413 1 62 . 1 1 109 109 ALA N N 15 25.1187 0.73002 . . . . 152 ALA N 51413 1 63 . 1 1 110 110 LEU N N 15 38.7199 3.1522 . . . . 153 LEU N 51413 1 64 . 1 1 111 111 GLU N N 15 26.0831 2.2849 . . . . 154 GLU N 51413 1 65 . 1 1 112 112 LYS N N 15 27.5018 1.5734 . . . . 155 LYS N 51413 1 66 . 1 1 113 113 LEU N N 15 28.5856 1.0589 . . . . 156 LEU N 51413 1 67 . 1 1 114 114 PHE N N 15 24.2995 1.2098 . . . . 157 PHE N 51413 1 68 . 1 1 115 115 LEU N N 15 25.9463 1.1657 . . . . 158 LEU N 51413 1 69 . 1 1 116 116 GLN N N 15 24.3336 0.75621 . . . . 159 GLN N 51413 1 70 . 1 1 118 118 ILE N N 15 30.7587 1.4347 . . . . 161 ILE N 51413 1 71 . 1 1 119 119 ASN N N 15 29.4312 0.9843 . . . . 162 ASN N 51413 1 72 . 1 1 121 121 LEU N N 15 24.1248 0.8139 . . . . 164 LEU N 51413 1 73 . 1 1 132 132 GLN N N 15 8.5502 0.14331 . . . . 175 GLN N 51413 1 74 . 1 1 134 134 LYS N N 15 4.5863 0.074018 . . . . 177 LYS N 51413 1 75 . 1 1 139 139 GLY N N 15 2.3709 0.60598 . . . . 182 GLY N 51413 1 76 . 1 1 143 143 THR N N 15 2.3143 0.12912 . . . . 186 THR N 51413 1 77 . 1 1 144 144 GLY N N 15 1.9208 0.24481 . . . . 187 GLY N 51413 1 78 . 1 1 145 145 THR N N 15 1.9553 0.12297 . . . . 188 THR N 51413 1 79 . 1 1 146 146 ALA N N 15 2.1079 0.064835 . . . . 189 ALA N 51413 1 80 . 1 1 149 149 GLY N N 15 2.1086 0.058133 . . . . 192 GLY N 51413 1 81 . 1 1 150 150 VAL N N 15 2.9174 0.024274 . . . . 193 VAL N 51413 1 82 . 1 1 152 152 THR N N 15 2.288 0.091478 . . . . 195 THR N 51413 1 83 . 1 1 153 153 VAL N N 15 2.0078 0.025222 . . . . 196 VAL N 51413 1 84 . 1 1 155 155 ASN N N 15 2.2466 0.086473 . . . . 198 ASN N 51413 1 85 . 1 1 156 156 THR N N 15 2.1292 0.056708 . . . . 199 THR N 51413 1 86 . 1 1 157 157 THR N N 15 2.6494 0.068321 . . . . 200 THR N 51413 1 87 . 1 1 158 158 GLN N N 15 2.3461 0.084968 . . . . 201 GLN N 51413 1 88 . 1 1 159 159 ALA N N 15 2.354 0.054337 . . . . 202 ALA N 51413 1 89 . 1 1 160 160 SER N N 15 2.0507 0.12311 . . . . 203 SER N 51413 1 90 . 1 1 161 161 THR N N 15 2.2997 0.058547 . . . . 204 THR N 51413 1 91 . 1 1 164 164 GLN N N 15 2.4852 0.043125 . . . . 207 GLN N 51413 1 92 . 1 1 167 167 THR N N 15 2.451 0.054459 . . . . 210 THR N 51413 1 93 . 1 1 184 184 ALA N N 15 2.428 0.04289 . . . . 227 ALA N 51413 1 94 . 1 1 185 185 VAL N N 15 2.2426 0.032322 . . . . 228 VAL N 51413 1 95 . 1 1 186 186 THR N N 15 2.614 0.028771 . . . . 229 THR N 51413 1 96 . 1 1 188 188 ASP N N 15 3.4538 0.022944 . . . . 231 ASP N 51413 1 97 . 1 1 190 190 ILE N N 15 2.4362 0.023374 . . . . 233 ILE N 51413 1 98 . 1 1 191 191 VAL N N 15 2.3973 0.022383 . . . . 234 VAL N 51413 1 99 . 1 1 192 192 GLN N N 15 2.635 0.032677 . . . . 235 GLN N 51413 1 100 . 1 1 195 195 VAL N N 15 2.2405 0.02317 . . . . 238 VAL N 51413 1 101 . 1 1 197 197 THR N N 15 3.0739 0.054568 . . . . 240 THR N 51413 1 102 . 1 1 198 198 VAL N N 15 2.5132 0.033622 . . . . 241 VAL N 51413 1 103 . 1 1 199 199 VAL N N 15 2.8407 0.02532 . . . . 242 VAL N 51413 1 104 . 1 1 231 231 ILE N N 15 2.4066 0.024267 . . . . 274 ILE N 51413 1 105 . 1 1 232 232 ILE N N 15 2.5997 0.026557 . . . . 275 ILE N 51413 1 106 . 1 1 233 233 ALA N N 15 2.4782 0.030806 . . . . 276 ALA N 51413 1 107 . 1 1 234 234 ALA N N 15 2.3292 0.036707 . . . . 277 ALA N 51413 1 108 . 1 1 235 235 THR N N 15 2.6821 0.32373 . . . . 278 THR N 51413 1 109 . 1 1 243 243 LYS N N 15 2.5837 0.049046 . . . . 286 LYS N 51413 1 110 . 1 1 244 244 GLY N N 15 2.2133 0.09673 . . . . 287 GLY N 51413 1 111 . 1 1 249 249 ALA N N 15 2.7402 0.086622 . . . . 292 ALA N 51413 1 112 . 1 1 250 250 ASP N N 15 2.3155 0.053072 . . . . 293 ASP N 51413 1 113 . 1 1 251 251 THR N N 15 3.5798 0.10108 . . . . 294 THR N 51413 1 114 . 1 1 255 255 THR N N 15 2.4014 0.04326 . . . . 298 THR N 51413 1 115 . 1 1 256 256 THR N N 15 2.8351 0.063916 . . . . 299 THR N 51413 1 116 . 1 1 257 257 ILE N N 15 2.3304 0.031496 . . . . 300 ILE N 51413 1 117 . 1 1 260 260 ILE N N 15 2.8044 0.027839 . . . . 303 ILE N 51413 1 118 . 1 1 261 261 HIS N N 15 3.233 0.080161 . . . . 304 HIS N 51413 1 119 . 1 1 262 262 GLU N N 15 2.8035 0.039062 . . . . 305 GLU N 51413 1 120 . 1 1 265 265 SER N N 15 2.9913 0.047043 . . . . 308 SER N 51413 1 121 . 1 1 266 266 LEU N N 15 2.996 0.036279 . . . . 309 LEU N 51413 1 122 . 1 1 285 285 VAL N N 15 2.8683 0.014315 . . . . 328 VAL N 51413 1 123 . 1 1 289 289 LYS N N 15 3.3626 0.044484 . . . . 332 LYS N 51413 1 124 . 1 1 290 290 LYS N N 15 3.5441 0.063858 . . . . 333 LYS N 51413 1 125 . 1 1 291 291 ASP N N 15 3.0201 0.056039 . . . . 334 ASP N 51413 1 126 . 1 1 292 292 VAL N N 15 3.7547 0.027774 . . . . 335 VAL N 51413 1 127 . 1 1 294 294 ASP N N 15 2.9799 0.034093 . . . . 337 ASP N 51413 1 128 . 1 1 295 295 SER N N 15 2.9942 0.085716 . . . . 338 SER N 51413 1 129 . 1 1 300 300 ALA N N 15 3.4719 0.046299 . . . . 343 ALA N 51413 1 130 . 1 1 302 302 GLU N N 15 4.5844 0.05268 . . . . 345 GLU N 51413 1 131 . 1 1 304 304 SER N N 15 6.039 0.28469 . . . . 347 SER N 51413 1 132 . 1 1 307 307 VAL N N 15 26.2237 0.81367 . . . . 350 VAL N 51413 1 133 . 1 1 308 308 SER N N 15 38.0296 2.2131 . . . . 351 SER N 51413 1 134 . 1 1 309 309 GLU N N 15 29.6335 2.2684 . . . . 352 GLU N 51413 1 135 . 1 1 310 310 GLN N N 15 31.2094 2.1357 . . . . 353 GLN N 51413 1 136 . 1 1 315 315 SER N N 15 31.0689 2.0916 . . . . 358 SER N 51413 1 137 . 1 1 316 316 GLY N N 15 32.1252 2.0787 . . . . 359 GLY N 51413 1 138 . 1 1 320 320 GLU N N 15 27.118 1.3929 . . . . 363 GLU N 51413 1 139 . 1 1 322 322 PHE N N 15 36.0223 2.2861 . . . . 365 PHE N 51413 1 140 . 1 1 327 327 ALA N N 15 31.2999 1.4215 . . . . 370 ALA N 51413 1 141 . 1 1 331 331 TRP N N 15 26.5593 1.0862 . . . . 374 TRP N 51413 1 142 . 1 1 334 334 TYR N N 15 33.0694 1.894 . . . . 377 TYR N 51413 1 143 . 1 1 335 335 LYS N N 15 28.7605 1.2163 . . . . 378 LYS N 51413 1 144 . 1 1 337 337 VAL N N 15 21.8275 0.53211 . . . . 380 VAL N 51413 1 145 . 1 1 338 338 ASP N N 15 25.9234 0.59611 . . . . 381 ASP N 51413 1 146 . 1 1 339 339 VAL N N 15 29.1493 0.94276 . . . . 382 VAL N 51413 1 147 . 1 1 341 341 ALA N N 15 29.1654 1.3753 . . . . 384 ALA N 51413 1 148 . 1 1 346 346 ASP N N 15 24.0756 0.55161 . . . . 389 ASP N 51413 1 149 . 1 1 348 348 CYS N N 15 25.8771 0.97205 . . . . 391 CYS N 51413 1 150 . 1 1 349 349 ASP N N 15 28.6238 1.4343 . . . . 392 ASP N 51413 1 151 . 1 1 350 350 ILE N N 15 21.6113 1.0229 . . . . 393 ILE N 51413 1 152 . 1 1 356 356 ASP N N 15 28.0155 0.90857 . . . . 399 ASP N 51413 1 153 . 1 1 357 357 MET N N 15 33.6229 1.663 . . . . 400 MET N 51413 1 154 . 1 1 358 358 SER N N 15 32.7978 1.4285 . . . . 401 SER N 51413 1 155 . 1 1 360 360 ILE N N 15 38.6154 2.2763 . . . . 403 ILE N 51413 1 156 . 1 1 362 362 SER N N 15 28.1174 1.3584 . . . . 405 SER N 51413 1 157 . 1 1 364 364 LEU N N 15 28.3614 1.7086 . . . . 407 LEU N 51413 1 158 . 1 1 365 365 GLU N N 15 27.2022 1.033 . . . . 408 GLU N 51413 1 159 . 1 1 366 366 ALA N N 15 35.3494 2.3384 . . . . 409 ALA N 51413 1 160 . 1 1 367 367 ARG N N 15 28.387 1.0123 . . . . 410 ARG N 51413 1 161 . 1 1 369 369 TYR N N 15 21.225 0.59585 . . . . 412 TYR N 51413 1 162 . 1 1 370 370 ARG N N 15 25.9225 0.9851 . . . . 413 ARG N 51413 1 163 . 1 1 371 371 ASP N N 15 21.4645 0.93361 . . . . 414 ASP N 51413 1 164 . 1 1 372 372 ALA N N 15 31.1441 1.3672 . . . . 415 ALA N 51413 1 165 . 1 1 373 373 GLN N N 15 33.7773 2.0635 . . . . 416 GLN N 51413 1 166 . 1 1 376 376 GLY N N 15 38.2971 3.5715 . . . . 419 GLY N 51413 1 167 . 1 1 379 379 VAL N N 15 37.8975 3.1388 . . . . 422 VAL N 51413 1 168 . 1 1 380 380 ARG N N 15 32.2663 1.7069 . . . . 423 ARG N 51413 1 169 . 1 1 382 382 MET N N 15 33.1629 2.2542 . . . . 425 MET N 51413 1 170 . 1 1 386 386 CYS N N 15 38.2592 2.7426 . . . . 429 CYS N 51413 1 171 . 1 1 393 393 ASP N N 15 27.1939 1.0375 . . . . 436 ASP N 51413 1 172 . 1 1 395 395 GLU N N 15 32.17 2.1308 . . . . 438 GLU N 51413 1 173 . 1 1 397 397 VAL N N 15 35.6136 2.8513 . . . . 440 VAL N 51413 1 174 . 1 1 398 398 ALA N N 15 28.1819 2.8642 . . . . 441 ALA N 51413 1 175 . 1 1 402 402 LYS N N 15 23.2113 1.9674 . . . . 445 LYS N 51413 1 176 . 1 1 404 404 GLN N N 15 36.822 5.0232 . . . . 447 GLN N 51413 1 177 . 1 1 407 407 PHE N N 15 27.1 2.1182 . . . . 450 PHE N 51413 1 178 . 1 1 408 408 GLU N N 15 40.5346 5.3179 . . . . 451 GLU N 51413 1 179 . 1 1 410 410 ARG N N 15 27.4055 3.3656 . . . . 453 ARG N 51413 1 180 . 1 1 411 411 PHE N N 15 34.3677 4.6946 . . . . 454 PHE N 51413 1 181 . 1 1 412 412 ALA N N 15 32.7348 1.9576 . . . . 455 ALA N 51413 1 182 . 1 1 417 417 GLU N N 15 5.2429 0.068802 . . . . 460 GLU N 51413 1 stop_ save_ save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 51413 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name 'BRD4 15N-T2 800' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 'T2/R2 relaxation' . . . 51413 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $software_3 . . 51413 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 6 6 GLU N N 15 3.1577 0.016576 . . . . 49 GLU N 51413 2 2 . 1 1 12 12 LYS N N 15 18.1666 0.25333 . . . . 55 LYS N 51413 2 3 . 1 1 14 14 LYS N N 15 3.2339 0.053983 . . . . 57 LYS N 51413 2 4 . 1 1 15 15 ARG N N 15 2.6905 0.050487 . . . . 58 ARG N 51413 2 5 . 1 1 17 17 THR N N 15 2.4092 0.11473 . . . . 60 THR N 51413 2 6 . 1 1 20 20 LEU N N 15 35.067 1.3439 . . . . 63 LEU N 51413 2 7 . 1 1 22 22 TYR N N 15 30.0844 0.78881 . . . . 65 TYR N 51413 2 8 . 1 1 24 24 LEU N N 15 31.6914 1.1162 . . . . 67 LEU N 51413 2 9 . 1 1 25 25 ARG N N 15 27.6472 1.0522 . . . . 68 ARG N 51413 2 10 . 1 1 27 27 VAL N N 15 34.2355 1.4776 . . . . 70 VAL N 51413 2 11 . 1 1 28 28 LEU N N 15 31.8826 1.7656 . . . . 71 LEU N 51413 2 12 . 1 1 29 29 LYS N N 15 29.725 0.87067 . . . . 72 LYS N 51413 2 13 . 1 1 30 30 THR N N 15 27.0723 0.68561 . . . . 73 THR N 51413 2 14 . 1 1 31 31 LEU N N 15 49.1233 2.1987 . . . . 74 LEU N 51413 2 15 . 1 1 32 32 TRP N N 15 32.4407 0.97067 . . . . 75 TRP N 51413 2 16 . 1 1 33 33 LYS N N 15 26.2082 0.77313 . . . . 76 LYS N 51413 2 17 . 1 1 35 35 GLN N N 15 24.3289 0.39877 . . . . 78 GLN N 51413 2 18 . 1 1 36 36 PHE N N 15 28.9281 2.2617 . . . . 79 PHE N 51413 2 19 . 1 1 38 38 TRP N N 15 25.6823 1.395 . . . . 81 TRP N 51413 2 20 . 1 1 40 40 PHE N N 15 24.0886 0.65227 . . . . 83 PHE N 51413 2 21 . 1 1 42 42 GLN N N 15 29.8607 0.60404 . . . . 85 GLN N 51413 2 22 . 1 1 44 44 VAL N N 15 26.5147 0.39978 . . . . 87 VAL N 51413 2 23 . 1 1 45 45 ASP N N 15 24.485 0.47619 . . . . 88 ASP N 51413 2 24 . 1 1 46 46 ALA N N 15 27.7192 0.89756 . . . . 89 ALA N 51413 2 25 . 1 1 47 47 VAL N N 15 33.1573 1.0939 . . . . 90 VAL N 51413 2 26 . 1 1 48 48 LYS N N 15 16.3585 0.44768 . . . . 91 LYS N 51413 2 27 . 1 1 49 49 LEU N N 15 38.9417 1.7836 . . . . 92 LEU N 51413 2 28 . 1 1 50 50 ASN N N 15 29.903 0.62852 . . . . 93 ASN N 51413 2 29 . 1 1 55 55 TYR N N 15 25.9697 0.96794 . . . . 98 TYR N 51413 2 30 . 1 1 56 56 LYS N N 15 26.8497 1.5783 . . . . 99 LYS N 51413 2 31 . 1 1 57 57 ILE N N 15 23.8112 0.87603 . . . . 100 ILE N 51413 2 32 . 1 1 59 59 LYS N N 15 24.0317 0.36373 . . . . 102 LYS N 51413 2 33 . 1 1 60 60 THR N N 15 27.2985 0.632 . . . . 103 THR N 51413 2 34 . 1 1 62 62 MET N N 15 30.4984 1.3291 . . . . 105 MET N 51413 2 35 . 1 1 63 63 ASP N N 15 31.603 0.5935 . . . . 106 ASP N 51413 2 36 . 1 1 64 64 MET N N 15 31.8389 0.82556 . . . . 107 MET N 51413 2 37 . 1 1 65 65 GLY N N 15 32.688 1.5097 . . . . 108 GLY N 51413 2 38 . 1 1 67 67 ILE N N 15 33.8149 1.0132 . . . . 110 ILE N 51413 2 39 . 1 1 68 68 LYS N N 15 29.5487 0.89551 . . . . 111 LYS N 51413 2 40 . 1 1 69 69 LYS N N 15 33.8376 1.365 . . . . 112 LYS N 51413 2 41 . 1 1 70 70 ARG N N 15 34.6885 1.7657 . . . . 113 ARG N 51413 2 42 . 1 1 71 71 LEU N N 15 33.6443 1.5907 . . . . 114 LEU N 51413 2 43 . 1 1 72 72 GLU N N 15 38.5666 1.7764 . . . . 115 GLU N 51413 2 44 . 1 1 73 73 ASN N N 15 41.9863 1.9204 . . . . 116 ASN N 51413 2 45 . 1 1 75 75 TYR N N 15 29.7179 1.0302 . . . . 118 TYR N 51413 2 46 . 1 1 76 76 TYR N N 15 23.7985 0.50799 . . . . 119 TYR N 51413 2 47 . 1 1 77 77 TRP N N 15 32.6684 1.1741 . . . . 120 TRP N 51413 2 48 . 1 1 78 78 ASN N N 15 46.7027 3.5474 . . . . 121 ASN N 51413 2 49 . 1 1 79 79 ALA N N 15 30.3708 1.5282 . . . . 122 ALA N 51413 2 50 . 1 1 80 80 GLN N N 15 32.2915 0.79976 . . . . 123 GLN N 51413 2 51 . 1 1 82 82 CYS N N 15 32.1932 1.157 . . . . 125 CYS N 51413 2 52 . 1 1 84 84 GLN N N 15 25.9861 2.5706 . . . . 127 GLN N 51413 2 53 . 1 1 85 85 ASP N N 15 32.5975 0.97702 . . . . 128 ASP N 51413 2 54 . 1 1 87 87 ASN N N 15 33.1422 1.0641 . . . . 130 ASN N 51413 2 55 . 1 1 88 88 THR N N 15 32.2527 1.0409 . . . . 131 THR N 51413 2 56 . 1 1 89 89 MET N N 15 32.4785 0.82997 . . . . 132 MET N 51413 2 57 . 1 1 90 90 PHE N N 15 33.2034 0.90614 . . . . 133 PHE N 51413 2 58 . 1 1 91 91 THR N N 15 35.461 4.7214 . . . . 134 THR N 51413 2 59 . 1 1 92 92 ASN N N 15 35.4347 1.1014 . . . . 135 ASN N 51413 2 60 . 1 1 94 94 TYR N N 15 31.94 0.94444 . . . . 137 TYR N 51413 2 61 . 1 1 100 100 GLY N N 15 86.4212 165.6817 . . . . 143 GLY N 51413 2 62 . 1 1 104 104 VAL N N 15 35.1627 1.7916 . . . . 147 VAL N 51413 2 63 . 1 1 105 105 LEU N N 15 33.0443 1.7412 . . . . 148 LEU N 51413 2 64 . 1 1 108 108 GLU N N 15 32.2615 2.1809 . . . . 151 GLU N 51413 2 65 . 1 1 109 109 ALA N N 15 29.6488 0.80147 . . . . 152 ALA N 51413 2 66 . 1 1 110 110 LEU N N 15 37.2728 2.8357 . . . . 153 LEU N 51413 2 67 . 1 1 111 111 GLU N N 15 26.5856 2.8277 . . . . 154 GLU N 51413 2 68 . 1 1 112 112 LYS N N 15 34.1061 2.6191 . . . . 155 LYS N 51413 2 69 . 1 1 113 113 LEU N N 15 28.995 1.042 . . . . 156 LEU N 51413 2 70 . 1 1 114 114 PHE N N 15 32.0405 1.6141 . . . . 157 PHE N 51413 2 71 . 1 1 115 115 LEU N N 15 37.6012 1.8497 . . . . 158 LEU N 51413 2 72 . 1 1 116 116 GLN N N 15 27.2781 0.66768 . . . . 159 GLN N 51413 2 73 . 1 1 117 117 LYS N N 15 24.6861 0.74965 . . . . 160 LYS N 51413 2 74 . 1 1 118 118 ILE N N 15 35.6797 1.6765 . . . . 161 ILE N 51413 2 75 . 1 1 119 119 ASN N N 15 32.3889 0.90318 . . . . 162 ASN N 51413 2 76 . 1 1 121 121 LEU N N 15 31.9634 0.85077 . . . . 164 LEU N 51413 2 77 . 1 1 132 132 GLN N N 15 9.3964 0.1106 . . . . 175 GLN N 51413 2 78 . 1 1 134 134 LYS N N 15 4.9031 0.060397 . . . . 177 LYS N 51413 2 79 . 1 1 137 137 GLY N N 15 2.9342 0.13453 . . . . 180 GLY N 51413 2 80 . 1 1 139 139 GLY N N 15 2.7477 0.67664 . . . . 182 GLY N 51413 2 81 . 1 1 143 143 THR N N 15 2.5405 0.10258 . . . . 186 THR N 51413 2 82 . 1 1 144 144 GLY N N 15 2.5262 0.19409 . . . . 187 GLY N 51413 2 83 . 1 1 145 145 THR N N 15 2.3842 0.073741 . . . . 188 THR N 51413 2 84 . 1 1 146 146 ALA N N 15 2.0926 0.042095 . . . . 189 ALA N 51413 2 85 . 1 1 149 149 GLY N N 15 2.2411 0.038437 . . . . 192 GLY N 51413 2 86 . 1 1 150 150 VAL N N 15 3.1523 0.015934 . . . . 193 VAL N 51413 2 87 . 1 1 152 152 THR N N 15 2.2534 0.066622 . . . . 195 THR N 51413 2 88 . 1 1 153 153 VAL N N 15 2.2016 0.014078 . . . . 196 VAL N 51413 2 89 . 1 1 155 155 ASN N N 15 2.3956 0.05803 . . . . 198 ASN N 51413 2 90 . 1 1 156 156 THR N N 15 2.227 0.039719 . . . . 199 THR N 51413 2 91 . 1 1 157 157 THR N N 15 2.4395 0.04911 . . . . 200 THR N 51413 2 92 . 1 1 158 158 GLN N N 15 2.2553 0.05379 . . . . 201 GLN N 51413 2 93 . 1 1 159 159 ALA N N 15 2.2036 0.035468 . . . . 202 ALA N 51413 2 94 . 1 1 160 160 SER N N 15 2.1986 0.071532 . . . . 203 SER N 51413 2 95 . 1 1 161 161 THR N N 15 2.4391 0.030594 . . . . 204 THR N 51413 2 96 . 1 1 164 164 GLN N N 15 2.4882 0.02834 . . . . 207 GLN N 51413 2 97 . 1 1 167 167 THR N N 15 2.7606 0.032589 . . . . 210 THR N 51413 2 98 . 1 1 184 184 ALA N N 15 2.5078 0.023385 . . . . 227 ALA N 51413 2 99 . 1 1 185 185 VAL N N 15 2.4751 0.017749 . . . . 228 VAL N 51413 2 100 . 1 1 186 186 THR N N 15 2.9923 0.01698 . . . . 229 THR N 51413 2 101 . 1 1 188 188 ASP N N 15 3.3865 0.014087 . . . . 231 ASP N 51413 2 102 . 1 1 190 190 ILE N N 15 2.6101 0.012392 . . . . 233 ILE N 51413 2 103 . 1 1 191 191 VAL N N 15 2.683 0.012466 . . . . 234 VAL N 51413 2 104 . 1 1 192 192 GLN N N 15 2.7657 0.021372 . . . . 235 GLN N 51413 2 105 . 1 1 195 195 VAL N N 15 2.5564 0.012757 . . . . 238 VAL N 51413 2 106 . 1 1 197 197 THR N N 15 2.9886 0.034459 . . . . 240 THR N 51413 2 107 . 1 1 198 198 VAL N N 15 2.6977 0.018707 . . . . 241 VAL N 51413 2 108 . 1 1 199 199 VAL N N 15 3.0297 0.014686 . . . . 242 VAL N 51413 2 109 . 1 1 206 206 THR N N 15 3.6397 0.03298 . . . . 249 THR N 51413 2 110 . 1 1 231 231 ILE N N 15 2.5568 0.014125 . . . . 274 ILE N 51413 2 111 . 1 1 232 232 ILE N N 15 2.8034 0.015442 . . . . 275 ILE N 51413 2 112 . 1 1 233 233 ALA N N 15 2.9011 0.020417 . . . . 276 ALA N 51413 2 113 . 1 1 234 234 ALA N N 15 2.4352 0.023715 . . . . 277 ALA N 51413 2 114 . 1 1 235 235 THR N N 15 3.1153 0.20172 . . . . 278 THR N 51413 2 115 . 1 1 243 243 LYS N N 15 2.9256 0.029894 . . . . 286 LYS N 51413 2 116 . 1 1 244 244 GLY N N 15 2.6362 0.071686 . . . . 287 GLY N 51413 2 117 . 1 1 249 249 ALA N N 15 2.5978 0.059666 . . . . 292 ALA N 51413 2 118 . 1 1 250 250 ASP N N 15 2.5409 0.03112 . . . . 293 ASP N 51413 2 119 . 1 1 251 251 THR N N 15 2.9784 0.067788 . . . . 294 THR N 51413 2 120 . 1 1 255 255 THR N N 15 2.5046 0.026512 . . . . 298 THR N 51413 2 121 . 1 1 256 256 THR N N 15 2.8849 0.035735 . . . . 299 THR N 51413 2 122 . 1 1 257 257 ILE N N 15 2.6763 0.016612 . . . . 300 ILE N 51413 2 123 . 1 1 260 260 ILE N N 15 3.1659 0.015715 . . . . 303 ILE N 51413 2 124 . 1 1 261 261 HIS N N 15 3.5988 0.04486 . . . . 304 HIS N 51413 2 125 . 1 1 262 262 GLU N N 15 3.0264 0.024363 . . . . 305 GLU N 51413 2 126 . 1 1 265 265 SER N N 15 2.9048 0.02741 . . . . 308 SER N 51413 2 127 . 1 1 266 266 LEU N N 15 3.2163 0.019922 . . . . 309 LEU N 51413 2 128 . 1 1 275 275 LEU N N 15 2.9527 0.16243 . . . . 318 LEU N 51413 2 129 . 1 1 285 285 VAL N N 15 2.979 0.0088738 . . . . 328 VAL N 51413 2 130 . 1 1 289 289 LYS N N 15 3.6101 0.027369 . . . . 332 LYS N 51413 2 131 . 1 1 290 290 LYS N N 15 3.332 0.044585 . . . . 333 LYS N 51413 2 132 . 1 1 291 291 ASP N N 15 3.0737 0.037068 . . . . 334 ASP N 51413 2 133 . 1 1 292 292 VAL N N 15 3.3295 0.016568 . . . . 335 VAL N 51413 2 134 . 1 1 294 294 ASP N N 15 3.0003 0.021105 . . . . 337 ASP N 51413 2 135 . 1 1 295 295 SER N N 15 2.8626 0.057019 . . . . 338 SER N 51413 2 136 . 1 1 296 296 GLN N N 15 5.419 0.049791 . . . . 339 GLN N 51413 2 137 . 1 1 300 300 ALA N N 15 3.8381 0.025303 . . . . 343 ALA N 51413 2 138 . 1 1 302 302 GLU N N 15 5.2386 0.035073 . . . . 345 GLU N 51413 2 139 . 1 1 304 304 SER N N 15 8.2885 0.23408 . . . . 347 SER N 51413 2 140 . 1 1 307 307 VAL N N 15 29.9346 0.62942 . . . . 350 VAL N 51413 2 141 . 1 1 308 308 SER N N 15 29.7161 0.85985 . . . . 351 SER N 51413 2 142 . 1 1 309 309 GLU N N 15 36.6919 3.3972 . . . . 352 GLU N 51413 2 143 . 1 1 310 310 GLN N N 15 37.2814 2.71 . . . . 353 GLN N 51413 2 144 . 1 1 312 312 LYS N N 15 30.7595 1.2672 . . . . 355 LYS N 51413 2 145 . 1 1 315 315 SER N N 15 46.7317 2.6758 . . . . 358 SER N 51413 2 146 . 1 1 316 316 GLY N N 15 37.7008 2.2605 . . . . 359 GLY N 51413 2 147 . 1 1 317 317 ILE N N 15 -12.0521 1.5265 . . . . 360 ILE N 51413 2 148 . 1 1 320 320 GLU N N 15 34.6137 1.5912 . . . . 363 GLU N 51413 2 149 . 1 1 321 321 MET N N 15 43.0922 2.5812 . . . . 364 MET N 51413 2 150 . 1 1 322 322 PHE N N 15 38.8999 2.0461 . . . . 365 PHE N 51413 2 151 . 1 1 327 327 ALA N N 15 31.7115 1.2437 . . . . 370 ALA N 51413 2 152 . 1 1 328 328 ALA N N 15 33.3735 1.1782 . . . . 371 ALA N 51413 2 153 . 1 1 329 329 TYR N N 15 32.8904 5.0873 . . . . 372 TYR N 51413 2 154 . 1 1 331 331 TRP N N 15 29.5346 1.0791 . . . . 374 TRP N 51413 2 155 . 1 1 334 334 TYR N N 15 45.1076 2.4809 . . . . 377 TYR N 51413 2 156 . 1 1 335 335 LYS N N 15 32.7418 1.025 . . . . 378 LYS N 51413 2 157 . 1 1 337 337 VAL N N 15 31.0856 0.66503 . . . . 380 VAL N 51413 2 158 . 1 1 338 338 ASP N N 15 28.9045 0.54935 . . . . 381 ASP N 51413 2 159 . 1 1 339 339 VAL N N 15 35.7286 0.96723 . . . . 382 VAL N 51413 2 160 . 1 1 341 341 ALA N N 15 37.2263 1.6757 . . . . 384 ALA N 51413 2 161 . 1 1 346 346 ASP N N 15 27.2094 0.60823 . . . . 389 ASP N 51413 2 162 . 1 1 348 348 CYS N N 15 33.7236 1.3603 . . . . 391 CYS N 51413 2 163 . 1 1 349 349 ASP N N 15 32.7816 1.4579 . . . . 392 ASP N 51413 2 164 . 1 1 350 350 ILE N N 15 25.1792 0.94365 . . . . 393 ILE N 51413 2 165 . 1 1 356 356 ASP N N 15 34.6829 0.89213 . . . . 399 ASP N 51413 2 166 . 1 1 357 357 MET N N 15 39.2804 1.5747 . . . . 400 MET N 51413 2 167 . 1 1 358 358 SER N N 15 42.0221 1.8181 . . . . 401 SER N 51413 2 168 . 1 1 360 360 ILE N N 15 42.6889 2.8107 . . . . 403 ILE N 51413 2 169 . 1 1 361 361 LYS N N 15 48.8173 3.1234 . . . . 404 LYS N 51413 2 170 . 1 1 362 362 SER N N 15 27.0374 0.89646 . . . . 405 SER N 51413 2 171 . 1 1 364 364 LEU N N 15 34.5425 2.2244 . . . . 407 LEU N 51413 2 172 . 1 1 365 365 GLU N N 15 34.3067 1.6507 . . . . 408 GLU N 51413 2 173 . 1 1 366 366 ALA N N 15 38.7926 1.8933 . . . . 409 ALA N 51413 2 174 . 1 1 367 367 ARG N N 15 32.9724 1.3453 . . . . 410 ARG N 51413 2 175 . 1 1 369 369 TYR N N 15 25.1432 0.5635 . . . . 412 TYR N 51413 2 176 . 1 1 370 370 ARG N N 15 31.0631 1.1236 . . . . 413 ARG N 51413 2 177 . 1 1 371 371 ASP N N 15 32.0516 1.4273 . . . . 414 ASP N 51413 2 178 . 1 1 372 372 ALA N N 15 36.7093 1.4863 . . . . 415 ALA N 51413 2 179 . 1 1 373 373 GLN N N 15 51.0015 3.7873 . . . . 416 GLN N 51413 2 180 . 1 1 374 374 GLU N N 15 66.5437 6.1362 . . . . 417 GLU N 51413 2 181 . 1 1 375 375 PHE N N 15 40.135 3.0056 . . . . 418 PHE N 51413 2 182 . 1 1 376 376 GLY N N 15 52.5451 6.2734 . . . . 419 GLY N 51413 2 183 . 1 1 377 377 ALA N N 15 2.5538 0.12192 . . . . 420 ALA N 51413 2 184 . 1 1 378 378 ASP N N 15 40.8072 2.6413 . . . . 421 ASP N 51413 2 185 . 1 1 379 379 VAL N N 15 40.7087 4.539 . . . . 422 VAL N 51413 2 186 . 1 1 380 380 ARG N N 15 35.1906 3.8042 . . . . 423 ARG N 51413 2 187 . 1 1 382 382 MET N N 15 32.8124 2.1565 . . . . 425 MET N 51413 2 188 . 1 1 383 383 PHE N N 15 54.7056 5.2786 . . . . 426 PHE N 51413 2 189 . 1 1 386 386 CYS N N 15 35.042 1.8521 . . . . 429 CYS N 51413 2 190 . 1 1 393 393 ASP N N 15 29.9196 1.3648 . . . . 436 ASP N 51413 2 191 . 1 1 394 394 HIS N N 15 3.186 0.18074 . . . . 437 HIS N 51413 2 192 . 1 1 395 395 GLU N N 15 46.1526 3.4121 . . . . 438 GLU N 51413 2 193 . 1 1 397 397 VAL N N 15 50.9316 3.9476 . . . . 440 VAL N 51413 2 194 . 1 1 398 398 ALA N N 15 46.8628 4.8355 . . . . 441 ALA N 51413 2 195 . 1 1 402 402 LYS N N 15 34.8527 3.7455 . . . . 445 LYS N 51413 2 196 . 1 1 404 404 GLN N N 15 43.3567 10.1407 . . . . 447 GLN N 51413 2 197 . 1 1 407 407 PHE N N 15 26.1523 1.7609 . . . . 450 PHE N 51413 2 198 . 1 1 408 408 GLU N N 15 48.7625 13.4812 . . . . 451 GLU N 51413 2 199 . 1 1 410 410 ARG N N 15 44.4866 7.0362 . . . . 453 ARG N 51413 2 200 . 1 1 411 411 PHE N N 15 53.0059 8.8934 . . . . 454 PHE N 51413 2 201 . 1 1 412 412 ALA N N 15 38.9509 1.9728 . . . . 455 ALA N 51413 2 202 . 1 1 417 417 GLU N N 15 5.88 0.048216 . . . . 460 GLU N 51413 2 stop_ save_ #################################################### # Dipole-CSA cross correlation relaxation values # #################################################### save_dipole_CSA_cross_correlations_1 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode dipole_CSA_cross_correlations_1 _Cross_correlation_D_CSA_list.Entry_ID 51413 _Cross_correlation_D_CSA_list.ID 1 _Cross_correlation_D_CSA_list.Name 'BRD4 15N-DCSA 800' _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 800 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details . _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 12 'transverse cross-correlated dipole/CSA relaxation' . . . 51413 1 stop_ loop_ _Cross_correlation_D_CSA_software.Software_ID _Cross_correlation_D_CSA_software.Software_label _Cross_correlation_D_CSA_software.Method_ID _Cross_correlation_D_CSA_software.Method_label _Cross_correlation_D_CSA_software.Entry_ID _Cross_correlation_D_CSA_software.Cross_correlation_D_CSA_list_ID 3 $software_3 . . 51413 1 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 15 15 ARG N N 15 1 . 1 15 15 ARG N N 15 1.626 0.381 . . . . . . . 58 ARG N 51413 1 2 . 1 1 17 17 THR N N 15 1 . 1 17 17 THR N N 15 3.945 1.067 . . . . . . . 60 THR N 51413 1 3 . 1 1 22 22 TYR N N 15 1 . 1 22 22 TYR N N 15 24.821 1.394 . . . . . . . 65 TYR N 51413 1 4 . 1 1 24 24 LEU N N 15 1 . 1 24 24 LEU N N 15 21.984 1.783 . . . . . . . 67 LEU N 51413 1 5 . 1 1 25 25 ARG N N 15 1 . 1 25 25 ARG N N 15 25.049 2.415 . . . . . . . 68 ARG N 51413 1 6 . 1 1 27 27 VAL N N 15 1 . 1 27 27 VAL N N 15 24.78 2.18 . . . . . . . 70 VAL N 51413 1 7 . 1 1 28 28 LEU N N 15 1 . 1 28 28 LEU N N 15 29.391 2.186 . . . . . . . 71 LEU N 51413 1 8 . 1 1 29 29 LYS N N 15 1 . 1 29 29 LYS N N 15 25.453 1.647 . . . . . . . 72 LYS N 51413 1 9 . 1 1 30 30 THR N N 15 1 . 1 30 30 THR N N 15 24.019 1.327 . . . . . . . 73 THR N 51413 1 10 . 1 1 32 32 TRP N N 15 1 . 1 32 32 TRP N N 15 23.657 1.483 . . . . . . . 75 TRP N 51413 1 11 . 1 1 33 33 LYS N N 15 1 . 1 33 33 LYS N N 15 20.282 1.692 . . . . . . . 76 LYS N 51413 1 12 . 1 1 35 35 GLN N N 15 1 . 1 35 35 GLN N N 15 24.657 1.008 . . . . . . . 78 GLN N 51413 1 13 . 1 1 36 36 PHE N N 15 1 . 1 36 36 PHE N N 15 18.002 5.05 . . . . . . . 79 PHE N 51413 1 14 . 1 1 38 38 TRP N N 15 1 . 1 38 38 TRP N N 15 17.186 2.091 . . . . . . . 81 TRP N 51413 1 15 . 1 1 40 40 PHE N N 15 1 . 1 40 40 PHE N N 15 21.78 1.588 . . . . . . . 83 PHE N 51413 1 16 . 1 1 42 42 GLN N N 15 1 . 1 42 42 GLN N N 15 25.243 1.175 . . . . . . . 85 GLN N 51413 1 17 . 1 1 44 44 VAL N N 15 1 . 1 44 44 VAL N N 15 20.505 0.804 . . . . . . . 87 VAL N 51413 1 18 . 1 1 45 45 ASP N N 15 1 . 1 45 45 ASP N N 15 19.728 0.99 . . . . . . . 88 ASP N 51413 1 19 . 1 1 46 46 ALA N N 15 1 . 1 46 46 ALA N N 15 22.648 1.398 . . . . . . . 89 ALA N 51413 1 20 . 1 1 47 47 VAL N N 15 1 . 1 47 47 VAL N N 15 10.958 0.637 . . . . . . . 90 VAL N 51413 1 21 . 1 1 49 49 LEU N N 15 1 . 1 49 49 LEU N N 15 36.786 2.811 . . . . . . . 92 LEU N 51413 1 22 . 1 1 50 50 ASN N N 15 1 . 1 50 50 ASN N N 15 28.166 1.428 . . . . . . . 93 ASN N 51413 1 23 . 1 1 55 55 TYR N N 15 1 . 1 55 55 TYR N N 15 20.71 1.958 . . . . . . . 98 TYR N 51413 1 24 . 1 1 57 57 ILE N N 15 1 . 1 57 57 ILE N N 15 14.333 2.38 . . . . . . . 100 ILE N 51413 1 25 . 1 1 59 59 LYS N N 15 1 . 1 59 59 LYS N N 15 17.763 0.826 . . . . . . . 102 LYS N 51413 1 26 . 1 1 60 60 THR N N 15 1 . 1 60 60 THR N N 15 27.5 1.653 . . . . . . . 103 THR N 51413 1 27 . 1 1 62 62 MET N N 15 1 . 1 62 62 MET N N 15 2.028 0.441 . . . . . . . 105 MET N 51413 1 28 . 1 1 63 63 ASP N N 15 1 . 1 63 63 ASP N N 15 28.088 0.959 . . . . . . . 106 ASP N 51413 1 29 . 1 1 64 64 MET N N 15 1 . 1 64 64 MET N N 15 27.467 1.565 . . . . . . . 107 MET N 51413 1 30 . 1 1 65 65 GLY N N 15 1 . 1 65 65 GLY N N 15 32.337 2.421 . . . . . . . 108 GLY N 51413 1 31 . 1 1 67 67 ILE N N 15 1 . 1 67 67 ILE N N 15 31.379 1.658 . . . . . . . 110 ILE N 51413 1 32 . 1 1 69 69 LYS N N 15 1 . 1 69 69 LYS N N 15 30.019 1.874 . . . . . . . 112 LYS N 51413 1 33 . 1 1 70 70 ARG N N 15 1 . 1 70 70 ARG N N 15 22.548 2.15 . . . . . . . 113 ARG N 51413 1 34 . 1 1 71 71 LEU N N 15 1 . 1 71 71 LEU N N 15 29.972 2.186 . . . . . . . 114 LEU N 51413 1 35 . 1 1 72 72 GLU N N 15 1 . 1 72 72 GLU N N 15 30.433 2.651 . . . . . . . 115 GLU N 51413 1 36 . 1 1 73 73 ASN N N 15 1 . 1 73 73 ASN N N 15 25.458 1.815 . . . . . . . 116 ASN N 51413 1 37 . 1 1 75 75 TYR N N 15 1 . 1 75 75 TYR N N 15 22.193 1.905 . . . . . . . 118 TYR N 51413 1 38 . 1 1 76 76 TYR N N 15 1 . 1 76 76 TYR N N 15 21.96 1.109 . . . . . . . 119 TYR N 51413 1 39 . 1 1 77 77 TRP N N 15 1 . 1 77 77 TRP N N 15 27.256 1.86 . . . . . . . 120 TRP N 51413 1 40 . 1 1 78 78 ASN N N 15 1 . 1 78 78 ASN N N 15 21.189 2.945 . . . . . . . 121 ASN N 51413 1 41 . 1 1 79 79 ALA N N 15 1 . 1 79 79 ALA N N 15 24.063 2.077 . . . . . . . 122 ALA N 51413 1 42 . 1 1 80 80 GLN N N 15 1 . 1 80 80 GLN N N 15 27.012 1.223 . . . . . . . 123 GLN N 51413 1 43 . 1 1 82 82 CYS N N 15 1 . 1 82 82 CYS N N 15 24.444 1.992 . . . . . . . 125 CYS N 51413 1 44 . 1 1 85 85 ASP N N 15 1 . 1 85 85 ASP N N 15 27.904 1.584 . . . . . . . 128 ASP N 51413 1 45 . 1 1 87 87 ASN N N 15 1 . 1 87 87 ASN N N 15 32.226 1.87 . . . . . . . 130 ASN N 51413 1 46 . 1 1 88 88 THR N N 15 1 . 1 88 88 THR N N 15 29.296 1.616 . . . . . . . 131 THR N 51413 1 47 . 1 1 89 89 MET N N 15 1 . 1 89 89 MET N N 15 27.748 1.405 . . . . . . . 132 MET N 51413 1 48 . 1 1 90 90 PHE N N 15 1 . 1 90 90 PHE N N 15 28.836 1.503 . . . . . . . 133 PHE N 51413 1 49 . 1 1 92 92 ASN N N 15 1 . 1 92 92 ASN N N 15 26.931 1.421 . . . . . . . 135 ASN N 51413 1 50 . 1 1 94 94 TYR N N 15 1 . 1 94 94 TYR N N 15 27.788 1.555 . . . . . . . 137 TYR N 51413 1 51 . 1 1 104 104 VAL N N 15 1 . 1 104 104 VAL N N 15 34.941 3.838 . . . . . . . 147 VAL N 51413 1 52 . 1 1 105 105 LEU N N 15 1 . 1 105 105 LEU N N 15 28.003 2.602 . . . . . . . 148 LEU N 51413 1 53 . 1 1 108 108 GLU N N 15 1 . 1 108 108 GLU N N 15 25.695 3.017 . . . . . . . 151 GLU N 51413 1 54 . 1 1 109 109 ALA N N 15 1 . 1 109 109 ALA N N 15 23.78 1.568 . . . . . . . 152 ALA N 51413 1 55 . 1 1 110 110 LEU N N 15 1 . 1 110 110 LEU N N 15 37.274 4.766 . . . . . . . 153 LEU N 51413 1 56 . 1 1 111 111 GLU N N 15 1 . 1 111 111 GLU N N 15 25.765 5.458 . . . . . . . 154 GLU N 51413 1 57 . 1 1 112 112 LYS N N 15 1 . 1 112 112 LYS N N 15 26.814 3.91 . . . . . . . 155 LYS N 51413 1 58 . 1 1 113 113 LEU N N 15 1 . 1 113 113 LEU N N 15 27.879 1.864 . . . . . . . 156 LEU N 51413 1 59 . 1 1 114 114 PHE N N 15 1 . 1 114 114 PHE N N 15 21.464 2.445 . . . . . . . 157 PHE N 51413 1 60 . 1 1 115 115 LEU N N 15 1 . 1 115 115 LEU N N 15 27.358 2.09 . . . . . . . 158 LEU N 51413 1 61 . 1 1 116 116 GLN N N 15 1 . 1 116 116 GLN N N 15 26.39 1.563 . . . . . . . 159 GLN N 51413 1 62 . 1 1 118 118 ILE N N 15 1 . 1 118 118 ILE N N 15 31.014 3.58 . . . . . . . 161 ILE N 51413 1 63 . 1 1 119 119 ASN N N 15 1 . 1 119 119 ASN N N 15 24.711 1.42 . . . . . . . 162 ASN N 51413 1 64 . 1 1 121 121 LEU N N 15 1 . 1 121 121 LEU N N 15 27.189 1.711 . . . . . . . 164 LEU N 51413 1 65 . 1 1 132 132 GLN N N 15 1 . 1 132 132 GLN N N 15 5.426 0.461 . . . . . . . 175 GLN N 51413 1 66 . 1 1 134 134 LYS N N 15 1 . 1 134 134 LYS N N 15 4.182 0.311 . . . . . . . 177 LYS N 51413 1 67 . 1 1 143 143 THR N N 15 1 . 1 143 143 THR N N 15 3.545 0.815 . . . . . . . 186 THR N 51413 1 68 . 1 1 144 144 GLY N N 15 1 . 1 144 144 GLY N N 15 3.461 1.839 . . . . . . . 187 GLY N 51413 1 69 . 1 1 145 145 THR N N 15 1 . 1 145 145 THR N N 15 1.537 0.62 . . . . . . . 188 THR N 51413 1 70 . 1 1 146 146 ALA N N 15 1 . 1 146 146 ALA N N 15 1.837 0.246 . . . . . . . 189 ALA N 51413 1 71 . 1 1 149 149 GLY N N 15 1 . 1 149 149 GLY N N 15 1.701 0.323 . . . . . . . 192 GLY N 51413 1 72 . 1 1 150 150 VAL N N 15 1 . 1 150 150 VAL N N 15 2.582 0.085 . . . . . . . 193 VAL N 51413 1 73 . 1 1 153 153 VAL N N 15 1 . 1 153 153 VAL N N 15 1.577 0.125 . . . . . . . 196 VAL N 51413 1 74 . 1 1 155 155 ASN N N 15 1 . 1 155 155 ASN N N 15 0.727 0.597 . . . . . . . 198 ASN N 51413 1 75 . 1 1 156 156 THR N N 15 1 . 1 156 156 THR N N 15 1.637 0.289 . . . . . . . 199 THR N 51413 1 76 . 1 1 157 157 THR N N 15 1 . 1 157 157 THR N N 15 2.03 0.19 . . . . . . . 200 THR N 51413 1 77 . 1 1 158 158 GLN N N 15 1 . 1 158 158 GLN N N 15 0.82 0.466 . . . . . . . 201 GLN N 51413 1 78 . 1 1 159 159 ALA N N 15 1 . 1 159 159 ALA N N 15 3.849 0.186 . . . . . . . 202 ALA N 51413 1 79 . 1 1 160 160 SER N N 15 1 . 1 160 160 SER N N 15 0.365 0.752 . . . . . . . 203 SER N 51413 1 80 . 1 1 161 161 THR N N 15 1 . 1 161 161 THR N N 15 0.668 0.272 . . . . . . . 204 THR N 51413 1 81 . 1 1 164 164 GLN N N 15 1 . 1 164 164 GLN N N 15 2.611 0.246 . . . . . . . 207 GLN N 51413 1 82 . 1 1 167 167 THR N N 15 1 . 1 167 167 THR N N 15 1.359 0.258 . . . . . . . 210 THR N 51413 1 83 . 1 1 184 184 ALA N N 15 1 . 1 184 184 ALA N N 15 1.829 0.217 . . . . . . . 227 ALA N 51413 1 84 . 1 1 185 185 VAL N N 15 1 . 1 185 185 VAL N N 15 1.322 0.16 . . . . . . . 228 VAL N 51413 1 85 . 1 1 186 186 THR N N 15 1 . 1 186 186 THR N N 15 2.319 0.136 . . . . . . . 229 THR N 51413 1 86 . 1 1 188 188 ASP N N 15 1 . 1 188 188 ASP N N 15 2.288 0.12 . . . . . . . 231 ASP N 51413 1 87 . 1 1 190 190 ILE N N 15 1 . 1 190 190 ILE N N 15 1.982 0.118 . . . . . . . 233 ILE N 51413 1 88 . 1 1 191 191 VAL N N 15 1 . 1 191 191 VAL N N 15 1.446 0.118 . . . . . . . 234 VAL N 51413 1 89 . 1 1 192 192 GLN N N 15 1 . 1 192 192 GLN N N 15 2.125 0.144 . . . . . . . 235 GLN N 51413 1 90 . 1 1 195 195 VAL N N 15 1 . 1 195 195 VAL N N 15 2.304 0.105 . . . . . . . 238 VAL N 51413 1 91 . 1 1 197 197 THR N N 15 1 . 1 197 197 THR N N 15 1.856 0.259 . . . . . . . 240 THR N 51413 1 92 . 1 1 198 198 VAL N N 15 1 . 1 198 198 VAL N N 15 2.013 0.173 . . . . . . . 241 VAL N 51413 1 93 . 1 1 199 199 VAL N N 15 1 . 1 199 199 VAL N N 15 2.298 0.132 . . . . . . . 242 VAL N 51413 1 94 . 1 1 206 206 THR N N 15 1 . 1 206 206 THR N N 15 1.718 0.204 . . . . . . . 249 THR N 51413 1 95 . 1 1 231 231 ILE N N 15 1 . 1 231 231 ILE N N 15 2.453 0.124 . . . . . . . 274 ILE N 51413 1 96 . 1 1 232 232 ILE N N 15 1 . 1 232 232 ILE N N 15 3.081 0.131 . . . . . . . 275 ILE N 51413 1 97 . 1 1 233 233 ALA N N 15 1 . 1 233 233 ALA N N 15 2.467 0.169 . . . . . . . 276 ALA N 51413 1 98 . 1 1 234 234 ALA N N 15 1 . 1 234 234 ALA N N 15 2.435 0.197 . . . . . . . 277 ALA N 51413 1 99 . 1 1 243 243 LYS N N 15 1 . 1 243 243 LYS N N 15 2.483 0.231 . . . . . . . 286 LYS N 51413 1 100 . 1 1 244 244 GLY N N 15 1 . 1 244 244 GLY N N 15 1.456 0.598 . . . . . . . 287 GLY N 51413 1 101 . 1 1 249 249 ALA N N 15 1 . 1 249 249 ALA N N 15 1.354 0.373 . . . . . . . 292 ALA N 51413 1 102 . 1 1 250 250 ASP N N 15 1 . 1 250 250 ASP N N 15 0.211 0.308 . . . . . . . 293 ASP N 51413 1 103 . 1 1 251 251 THR N N 15 1 . 1 251 251 THR N N 15 4.567 0.424 . . . . . . . 294 THR N 51413 1 104 . 1 1 255 255 THR N N 15 1 . 1 255 255 THR N N 15 2.251 0.235 . . . . . . . 298 THR N 51413 1 105 . 1 1 256 256 THR N N 15 1 . 1 256 256 THR N N 15 2.167 0.301 . . . . . . . 299 THR N 51413 1 106 . 1 1 257 257 ILE N N 15 1 . 1 257 257 ILE N N 15 2.583 0.15 . . . . . . . 300 ILE N 51413 1 107 . 1 1 260 260 ILE N N 15 1 . 1 260 260 ILE N N 15 3.112 0.13 . . . . . . . 303 ILE N 51413 1 108 . 1 1 261 261 HIS N N 15 1 . 1 261 261 HIS N N 15 1.679 0.346 . . . . . . . 304 HIS N 51413 1 109 . 1 1 262 262 GLU N N 15 1 . 1 262 262 GLU N N 15 2.634 0.17 . . . . . . . 305 GLU N 51413 1 110 . 1 1 265 265 SER N N 15 1 . 1 265 265 SER N N 15 1.888 0.244 . . . . . . . 308 SER N 51413 1 111 . 1 1 266 266 LEU N N 15 1 . 1 266 266 LEU N N 15 2.597 0.147 . . . . . . . 309 LEU N 51413 1 112 . 1 1 275 275 LEU N N 15 1 . 1 275 275 LEU N N 15 2.465 1.559 . . . . . . . 318 LEU N 51413 1 113 . 1 1 285 285 VAL N N 15 1 . 1 285 285 VAL N N 15 2.853 0.065 . . . . . . . 328 VAL N 51413 1 114 . 1 1 289 289 LYS N N 15 1 . 1 289 289 LYS N N 15 3.47 0.196 . . . . . . . 332 LYS N 51413 1 115 . 1 1 290 290 LYS N N 15 1 . 1 290 290 LYS N N 15 2.019 0.316 . . . . . . . 333 LYS N 51413 1 116 . 1 1 291 291 ASP N N 15 1 . 1 291 291 ASP N N 15 2.521 0.344 . . . . . . . 334 ASP N 51413 1 117 . 1 1 292 292 VAL N N 15 1 . 1 292 292 VAL N N 15 3.845 0.128 . . . . . . . 335 VAL N 51413 1 118 . 1 1 294 294 ASP N N 15 1 . 1 294 294 ASP N N 15 3 0.177 . . . . . . . 337 ASP N 51413 1 119 . 1 1 295 295 SER N N 15 1 . 1 295 295 SER N N 15 3.482 0.431 . . . . . . . 338 SER N 51413 1 120 . 1 1 300 300 ALA N N 15 1 . 1 300 300 ALA N N 15 3.082 0.199 . . . . . . . 343 ALA N 51413 1 121 . 1 1 302 302 GLU N N 15 1 . 1 302 302 GLU N N 15 5.4 0.209 . . . . . . . 345 GLU N 51413 1 122 . 1 1 304 304 SER N N 15 1 . 1 304 304 SER N N 15 6.81 1.525 . . . . . . . 347 SER N 51413 1 123 . 1 1 307 307 VAL N N 15 1 . 1 307 307 VAL N N 15 21.704 1.127 . . . . . . . 350 VAL N 51413 1 124 . 1 1 308 308 SER N N 15 1 . 1 308 308 SER N N 15 26.993 1.724 . . . . . . . 351 SER N 51413 1 125 . 1 1 309 309 GLU N N 15 1 . 1 309 309 GLU N N 15 29.685 4.769 . . . . . . . 352 GLU N 51413 1 126 . 1 1 310 310 GLN N N 15 1 . 1 310 310 GLN N N 15 33.392 3.918 . . . . . . . 353 GLN N 51413 1 127 . 1 1 312 312 LYS N N 15 1 . 1 312 312 LYS N N 15 21.325 1.385 . . . . . . . 355 LYS N 51413 1 128 . 1 1 316 316 GLY N N 15 1 . 1 316 316 GLY N N 15 33.073 2.949 . . . . . . . 359 GLY N 51413 1 129 . 1 1 320 320 GLU N N 15 1 . 1 320 320 GLU N N 15 27.424 2.493 . . . . . . . 363 GLU N 51413 1 130 . 1 1 321 321 MET N N 15 1 . 1 321 321 MET N N 15 45.863 5.092 . . . . . . . 364 MET N 51413 1 131 . 1 1 322 322 PHE N N 15 1 . 1 322 322 PHE N N 15 30.342 3.09 . . . . . . . 365 PHE N 51413 1 132 . 1 1 327 327 ALA N N 15 1 . 1 327 327 ALA N N 15 25.11 2.021 . . . . . . . 370 ALA N 51413 1 133 . 1 1 328 328 ALA N N 15 1 . 1 328 328 ALA N N 15 28.465 1.922 . . . . . . . 371 ALA N 51413 1 134 . 1 1 329 329 TYR N N 15 1 . 1 329 329 TYR N N 15 29.876 7.362 . . . . . . . 372 TYR N 51413 1 135 . 1 1 331 331 TRP N N 15 1 . 1 331 331 TRP N N 15 24.667 1.807 . . . . . . . 374 TRP N 51413 1 136 . 1 1 334 334 TYR N N 15 1 . 1 334 334 TYR N N 15 34.785 3.087 . . . . . . . 377 TYR N 51413 1 137 . 1 1 335 335 LYS N N 15 1 . 1 335 335 LYS N N 15 29.584 2.079 . . . . . . . 378 LYS N 51413 1 138 . 1 1 337 337 VAL N N 15 1 . 1 337 337 VAL N N 15 29.412 1.308 . . . . . . . 380 VAL N 51413 1 139 . 1 1 338 338 ASP N N 15 1 . 1 338 338 ASP N N 15 28.826 1.392 . . . . . . . 381 ASP N 51413 1 140 . 1 1 339 339 VAL N N 15 1 . 1 339 339 VAL N N 15 31.237 1.893 . . . . . . . 382 VAL N 51413 1 141 . 1 1 341 341 ALA N N 15 1 . 1 341 341 ALA N N 15 35.863 3.498 . . . . . . . 384 ALA N 51413 1 142 . 1 1 346 346 ASP N N 15 1 . 1 346 346 ASP N N 15 22.491 1.314 . . . . . . . 389 ASP N 51413 1 143 . 1 1 348 348 CYS N N 15 1 . 1 348 348 CYS N N 15 29.131 2.413 . . . . . . . 391 CYS N 51413 1 144 . 1 1 349 349 ASP N N 15 1 . 1 349 349 ASP N N 15 30.416 2.599 . . . . . . . 392 ASP N 51413 1 145 . 1 1 350 350 ILE N N 15 1 . 1 350 350 ILE N N 15 26.469 2.471 . . . . . . . 393 ILE N 51413 1 146 . 1 1 356 356 ASP N N 15 1 . 1 356 356 ASP N N 15 30.685 1.303 . . . . . . . 399 ASP N 51413 1 147 . 1 1 357 357 MET N N 15 1 . 1 357 357 MET N N 15 30.933 2.058 . . . . . . . 400 MET N 51413 1 148 . 1 1 358 358 SER N N 15 1 . 1 358 358 SER N N 15 32.559 2.359 . . . . . . . 401 SER N 51413 1 149 . 1 1 360 360 ILE N N 15 1 . 1 360 360 ILE N N 15 37.084 2.923 . . . . . . . 403 ILE N 51413 1 150 . 1 1 361 361 LYS N N 15 1 . 1 361 361 LYS N N 15 22.028 1.639 . . . . . . . 404 LYS N 51413 1 151 . 1 1 362 362 SER N N 15 1 . 1 362 362 SER N N 15 20.767 1.529 . . . . . . . 405 SER N 51413 1 152 . 1 1 364 364 LEU N N 15 1 . 1 364 364 LEU N N 15 31.755 2.61 . . . . . . . 407 LEU N 51413 1 153 . 1 1 365 365 GLU N N 15 1 . 1 365 365 GLU N N 15 30.433 2.146 . . . . . . . 408 GLU N 51413 1 154 . 1 1 366 366 ALA N N 15 1 . 1 366 366 ALA N N 15 28.522 2.728 . . . . . . . 409 ALA N 51413 1 155 . 1 1 367 367 ARG N N 15 1 . 1 367 367 ARG N N 15 27.019 1.783 . . . . . . . 410 ARG N 51413 1 156 . 1 1 369 369 TYR N N 15 1 . 1 369 369 TYR N N 15 21.312 1.388 . . . . . . . 412 TYR N 51413 1 157 . 1 1 370 370 ARG N N 15 1 . 1 370 370 ARG N N 15 30.481 2.027 . . . . . . . 413 ARG N 51413 1 158 . 1 1 371 371 ASP N N 15 1 . 1 371 371 ASP N N 15 20.861 1.693 . . . . . . . 414 ASP N 51413 1 159 . 1 1 372 372 ALA N N 15 1 . 1 372 372 ALA N N 15 27.475 2.385 . . . . . . . 415 ALA N 51413 1 160 . 1 1 373 373 GLN N N 15 1 . 1 373 373 GLN N N 15 54.49 7.918 . . . . . . . 416 GLN N 51413 1 161 . 1 1 375 375 PHE N N 15 1 . 1 375 375 PHE N N 15 36.054 5.404 . . . . . . . 418 PHE N 51413 1 162 . 1 1 376 376 GLY N N 15 1 . 1 376 376 GLY N N 15 35.156 5.341 . . . . . . . 419 GLY N 51413 1 163 . 1 1 378 378 ASP N N 15 1 . 1 378 378 ASP N N 15 37.622 3.591 . . . . . . . 421 ASP N 51413 1 164 . 1 1 379 379 VAL N N 15 1 . 1 379 379 VAL N N 15 41.128 4.952 . . . . . . . 422 VAL N 51413 1 165 . 1 1 380 380 ARG N N 15 1 . 1 380 380 ARG N N 15 35.79 5.419 . . . . . . . 423 ARG N 51413 1 166 . 1 1 382 382 MET N N 15 1 . 1 382 382 MET N N 15 41.316 4.725 . . . . . . . 425 MET N 51413 1 167 . 1 1 383 383 PHE N N 15 1 . 1 383 383 PHE N N 15 39.715 5.39 . . . . . . . 426 PHE N 51413 1 168 . 1 1 386 386 CYS N N 15 1 . 1 386 386 CYS N N 15 34.066 3.263 . . . . . . . 429 CYS N 51413 1 169 . 1 1 393 393 ASP N N 15 1 . 1 393 393 ASP N N 15 29.501 3.148 . . . . . . . 436 ASP N 51413 1 170 . 1 1 395 395 GLU N N 15 1 . 1 395 395 GLU N N 15 22.922 3.288 . . . . . . . 438 GLU N 51413 1 171 . 1 1 397 397 VAL N N 15 1 . 1 397 397 VAL N N 15 37.759 4.015 . . . . . . . 440 VAL N 51413 1 172 . 1 1 398 398 ALA N N 15 1 . 1 398 398 ALA N N 15 25.026 4.313 . . . . . . . 441 ALA N 51413 1 173 . 1 1 402 402 LYS N N 15 1 . 1 402 402 LYS N N 15 33.327 7.956 . . . . . . . 445 LYS N 51413 1 174 . 1 1 404 404 GLN N N 15 1 . 1 404 404 GLN N N 15 32.552 11.675 . . . . . . . 447 GLN N 51413 1 175 . 1 1 407 407 PHE N N 15 1 . 1 407 407 PHE N N 15 39.933 8.564 . . . . . . . 450 PHE N 51413 1 176 . 1 1 408 408 GLU N N 15 1 . 1 408 408 GLU N N 15 18.703 10.877 . . . . . . . 451 GLU N 51413 1 177 . 1 1 410 410 ARG N N 15 1 . 1 410 410 ARG N N 15 41.291 13.431 . . . . . . . 453 ARG N 51413 1 178 . 1 1 411 411 PHE N N 15 1 . 1 411 411 PHE N N 15 42.322 13.543 . . . . . . . 454 PHE N 51413 1 179 . 1 1 412 412 ALA N N 15 1 . 1 412 412 ALA N N 15 32.179 3.502 . . . . . . . 455 ALA N 51413 1 180 . 1 1 417 417 GLU N N 15 1 . 1 417 417 GLU N N 15 4.114 0.344 . . . . . . . 460 GLU N 51413 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameters_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameters_1 _Order_parameter_list.Entry_ID 51413 _Order_parameter_list.ID 1 _Order_parameter_list.Name 'BRD4 15N-S2' _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ns _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units ns _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Standard relax MF suite' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 3 $software_3 . . 51413 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 291 291 ASP N N 15 0.053142 0.001338 . . 3.3247e-11 6.0176e-12 3.3247e-11 6.0176e-12 . . 0.60761 0.020024 0.08746 0.0033478 . . . . . . . . 334 ASP N 51413 1 2 . 1 1 292 292 VAL N N 15 0.068503 0.00060781 . . 2.6697e-11 1.7855e-12 2.6697e-11 1.7855e-12 . . 0.49465 0.0074615 0.13849 0.0019991 . . . . . . . . 335 VAL N 51413 1 3 . 1 1 294 294 ASP N N 15 0.045733 0.0008261 . . 5.4884e-11 2.2032e-12 5.4884e-11 2.2032e-12 . . 0.47036 0.010707 0.097231 0.0020739 . . . . . . . . 337 ASP N 51413 1 4 . 1 1 295 295 SER N N 15 0.052795 0.0022632 . . 3.6756e-11 5.3408e-12 3.6756e-11 5.3408e-12 . . 0.51056 0.024031 0.10341 0.0056883 . . . . . . . . 338 SER N 51413 1 5 . 1 1 296 296 GLN N N 15 0.12757 0.001623 . . . . . . . . 0.48022 0.0051237 0.26565 0.0041363 . . . . . . . . 339 GLN N 51413 1 6 . 1 1 300 300 ALA N N 15 0.096807 0.001369 . . 4.4132e-11 2.7652e-12 4.4132e-11 2.7652e-12 . . 0.48628 0.013095 0.19908 0.0048841 . . . . . . . . 343 ALA N 51413 1 7 . 1 1 302 302 GLU N N 15 0.13361 0.0015434 . . 3.4213e-11 2.9144e-12 3.4213e-11 2.9144e-12 . . 0.52286 0.013012 0.25554 0.005412 . . . . . . . . 345 GLU N 51413 1 8 . 1 1 304 304 SER N N 15 0.12677 0.038098 . . . . . . . . 0.58453 0.036054 0.21688 0.055681 . . . . . . . . 347 SER N 51413 1 9 . 1 1 307 307 VAL N N 15 0.87328 0.0090755 7.1131e-10 4.9817e-11 . . . . . . . . . . . . . . . . . . 350 VAL N 51413 1 10 . 1 1 308 308 SER N N 15 0.91338 0.015534 1.249e-09 1.1395e-09 . . . . . . . . . . . . . . . . . . 351 SER N 51413 1 11 . 1 1 309 309 GLU N N 15 0.93082 0.052901 . . . . . . . . . . . . . . . . . . . . 352 GLU N 51413 1 12 . 1 1 310 310 GLN N N 15 0.97693 0.028297 1.3228e-10 6.862e-10 . . . . . . . . . . . . . . . . . . 353 GLN N 51413 1 13 . 1 1 312 312 LYS N N 15 0.97186 0.023908 4.7146e-11 5.3324e-10 . . . . . . . . . . . . . . . . . . 355 LYS N 51413 1 14 . 1 1 315 315 SER N N 15 0.95224 0.010794 1.0482e-09 4.1077e-10 . . . . . . . . . . . . . . . . . . 358 SER N 51413 1 15 . 1 1 316 316 GLY N N 15 0.95639 0.032581 . . . . . . . . . . . . . . . . . . . . 359 GLY N 51413 1 16 . 1 1 317 317 ILE N N 15 0.25987 0.034751 . . . . . . . . . . . . . . . . . . . . 360 ILE N 51413 1 17 . 1 1 320 320 GLU N N 15 0.97813 0.024479 . . . . . . . . . . . . . . . . . . . . 363 GLU N 51413 1 18 . 1 1 321 321 MET N N 15 0.9906 0.031532 . . . . . . . . . . . . . . . . . . . . 364 MET N 51413 1 19 . 1 1 322 322 PHE N N 15 0.95273 0.031467 . . . . . . . . . . . . . . . . . . . . 365 PHE N 51413 1 20 . 1 1 327 327 ALA N N 15 1 0.017554 . . . . . . . . . . . . . . . . . . . . 370 ALA N 51413 1 21 . 1 1 328 328 ALA N N 15 0.90635 0.037854 . . . . . . . . . . . . . . . . . . . . 371 ALA N 51413 1 22 . 1 1 329 329 TYR N N 15 0.95592 0.046906 5.4067e-10 4.5779e-10 . . . . . . . . . . . . . . . . . . 372 TYR N 51413 1 23 . 1 1 331 331 TRP N N 15 0.99758 0.013198 . . . . . . . . . . . . . . . . . . . . 374 TRP N 51413 1 24 . 1 1 334 334 TYR N N 15 0.92685 0.030147 . . . . . . . . . . . . . . . . . . . . 377 TYR N 51413 1 25 . 1 1 335 335 LYS N N 15 0.99626 0.010638 . . . . . . . . . . . . . . . . . . . . 378 LYS N 51413 1 26 . 1 1 337 337 VAL N N 15 0.85437 0.01467 . . . . . . . . . . . . . . . . . . . . 380 VAL N 51413 1 27 . 1 1 338 338 ASP N N 15 0.96628 0.0063554 8.2537e-10 1.871e-10 . . . . . . . . . . . . . . . . . . 381 ASP N 51413 1 28 . 1 1 339 339 VAL N N 15 0.89583 0.040625 . . . . . . . . 0.92919 0.040074 0.9641 0.01455 . . . . . . . . 382 VAL N 51413 1 29 . 1 1 341 341 ALA N N 15 0.80811 0.023641 1.0096e-11 3.7081e-12 . . . . . . . . . . . . . . . . . . 384 ALA N 51413 1 30 . 1 1 346 346 ASP N N 15 0.85444 0.014075 . . . . . . . . . . . . . . . . . . . . 389 ASP N 51413 1 31 . 1 1 348 348 CYS N N 15 0.76615 0.020924 4.4006e-12 2.8876e-12 . . . . . . . . . . . . . . . . . . 391 CYS N 51413 1 32 . 1 1 349 349 ASP N N 15 0.86235 0.031655 1.9657e-11 8.1354e-12 . . . . . . . . . . . . . . . . . . 392 ASP N 51413 1 33 . 1 1 350 350 ILE N N 15 0.83481 0.032227 . . . . . . . . . . . . . . . . . . . . 393 ILE N 51413 1 34 . 1 1 356 356 ASP N N 15 0.97577 0.012823 3.0932e-11 1.62e-10 . . . . . . . . . . . . . . . . . . 399 ASP N 51413 1 35 . 1 1 357 357 MET N N 15 0.90503 0.028047 . . . . . . . . . . . . . . . . . . . . 400 MET N 51413 1 36 . 1 1 358 358 SER N N 15 0.92227 0.027588 . . . . . . . . . . . . . . . . . . . . 401 SER N 51413 1 37 . 1 1 360 360 ILE N N 15 0.91597 0.037669 . . . . . . . . . . . . . . . . . . . . 403 ILE N 51413 1 38 . 1 1 361 361 LYS N N 15 0.82958 0.040182 . . . . . . . . . . . . . . . . . . . . 404 LYS N 51413 1 39 . 1 1 362 362 SER N N 15 0.81843 0.022316 . . . . . . . . 0.86971 0.018749 0.94104 0.010458 . . . . . . . . 405 SER N 51413 1 40 . 1 1 364 364 LEU N N 15 0.98997 0.015243 4.455e-10 1.3045e-09 . . . . . . . . . . . . . . . . . . 407 LEU N 51413 1 41 . 1 1 365 365 GLU N N 15 0.96721 0.01861 . . . . . . . . . . . . . . . . . . . . 408 GLU N 51413 1 42 . 1 1 366 366 ALA N N 15 0.97093 0.01581 1.2527e-09 2.3319e-09 . . . . . . . . . . . . . . . . . . 409 ALA N 51413 1 43 . 1 1 367 367 ARG N N 15 0.95647 0.015585 2.042e-09 2.0452e-09 . . . . . . . . . . . . . . . . . . 410 ARG N 51413 1 44 . 1 1 369 369 TYR N N 15 0.90026 0.012519 2.334e-11 6.6336e-12 . . . . . . . . . . . . . . . . . . 412 TYR N 51413 1 45 . 1 1 370 370 ARG N N 15 0.95685 0.018021 3.3601e-11 1.0865e-10 . . . . . . . . . . . . . . . . . . 413 ARG N 51413 1 46 . 1 1 371 371 ASP N N 15 0.40343 0.17405 . . . . . . . . 0.53796 0.11853 0.74992 0.19941 . . . . . . . . 414 ASP N 51413 1 47 . 1 1 372 372 ALA N N 15 0.89056 0.021926 . . . . . . . . . . . . . . . . . . . . 415 ALA N 51413 1 48 . 1 1 373 373 GLN N N 15 0.97303 0.018654 2.1492e-10 1.9796e-10 . . . . . . . . . . . . . . . . . . 416 GLN N 51413 1 49 . 1 1 374 374 GLU N N 15 0.94238 0.016707 1.1394e-09 8.1053e-10 . . . . . . . . . . . . . . . . . . 417 GLU N 51413 1 50 . 1 1 375 375 PHE N N 15 0.92379 0.051706 . . . . . . . . . . . . . . . . . . . . 418 PHE N 51413 1 51 . 1 1 376 376 GLY N N 15 0.88681 0.048998 . . . . . . . . . . . . . . . . . . . . 419 GLY N 51413 1 52 . 1 1 377 377 ALA N N 15 0.022605 0.0049299 . . . . . . . . 0.61687 0.042928 0.036645 0.0084537 . . . . . . . . 420 ALA N 51413 1 53 . 1 1 378 378 ASP N N 15 0.92686 0.045776 . . . . . . . . . . . . . . . . . . . . 421 ASP N 51413 1 54 . 1 1 379 379 VAL N N 15 0.88509 0.04375 . . . . . . . . . . . . . . . . . . . . 422 VAL N 51413 1 55 . 1 1 380 380 ARG N N 15 0.90957 0.040953 . . . . . . . . . . . . . . . . . . . . 423 ARG N 51413 1 56 . 1 1 382 382 MET N N 15 0.93796 0.040123 . . . . . . . . . . . . . . . . . . . . 425 MET N 51413 1 57 . 1 1 383 383 PHE N N 15 0.90647 0.06197 . . . . . . . . . . . . . . . . . . . . 426 PHE N 51413 1 58 . 1 1 386 386 CYS N N 15 0.88245 0.036863 . . . . . . . . . . . . . . . . . . . . 429 CYS N 51413 1 59 . 1 1 393 393 ASP N N 15 0.953 0.029501 . . . . . . . . . . . . . . . . . . . . 436 ASP N 51413 1 60 . 1 1 394 394 HIS N N 15 0.049178 0.014486 . . . . . . . . 0.55967 0.053805 0.087871 0.026253 . . . . . . . . 437 HIS N 51413 1 61 . 1 1 395 395 GLU N N 15 0.82116 0.036606 . . . . . . . . . . . . . . . . . . . . 438 GLU N 51413 1 62 . 1 1 397 397 VAL N N 15 0.93247 0.035388 . . . . . . . . . . . . . . . . . . . . 440 VAL N 51413 1 63 . 1 1 398 398 ALA N N 15 0.7403 0.040947 . . . . . . . . . . . . . . . . . . . . 441 ALA N 51413 1 64 . 1 1 402 402 LYS N N 15 0.6868 0.045609 . . . . . . . . . . . . . . . . . . . . 445 LYS N 51413 1 65 . 1 1 404 404 GLN N N 15 1 0.049782 . . . . . . . . . . . . . . . . . . . . 447 GLN N 51413 1 66 . 1 1 407 407 PHE N N 15 0.94183 0.032483 . . . . . . . . . . . . . . . . . . . . 450 PHE N 51413 1 67 . 1 1 408 408 GLU N N 15 0.86785 0.073698 . . . . . . . . . . . . . . . . . . . . 451 GLU N 51413 1 68 . 1 1 410 410 ARG N N 15 0.94471 0.052882 . . . . . . . . . . . . . . . . . . . . 453 ARG N 51413 1 69 . 1 1 411 411 PHE N N 15 0.91598 0.068938 . . . . . . . . . . . . . . . . . . . . 454 PHE N 51413 1 70 . 1 1 412 412 ALA N N 15 0.9786 0.015178 3.0247e-10 2.7186e-10 . . . . . . . . . . . . . . . . . . 455 ALA N 51413 1 71 . 1 1 417 417 GLU N N 15 0.15101 0.0018417 . . 4.0768e-11 3.5467e-12 4.0768e-11 3.5467e-12 . . 0.51748 0.014577 0.29181 0.0070756 . . . . . . . . 460 GLU N 51413 1 stop_ save_