data_51418 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51418 _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 . . . . 51418 2 Bobby Romel . . . . 51418 3 Liz Flavell . . . . 51418 4 Alexander Milbradt . G. . . 51418 5 Geoff Holdgate . A. . . 51418 6 Kevin Embrey . J. . . 51418 7 Mikael Akke . . . . 51418 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51418 heteronucl_NOEs 2 51418 heteronucl_T1_relaxation 2 51418 heteronucl_T2_relaxation 2 51418 order_parameters 1 51418 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 276 51418 '1H chemical shifts' 276 51418 'T1 relaxation values' 418 51418 'T2 relaxation values' 418 51418 'dipole-CSA cross correlation relaxation values' 205 51418 'heteronuclear NOE values' 390 51418 'order parameters' 77 51418 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' 51418 1 . . 2022-10-11 2022-04-26 original author 'original release' 51418 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51413 'H4Kac bound Bromodomain 1 (BD1), linker, Bromodomain 2 (BD2) of BRD4' 51418 BMRB 51414 'H4Kac bound Bromodomain 2 (BD2) of BRD4' 51418 BMRB 51415 'H4Kac bound Bromodomain 1 (BD1) of BRD4' 51418 BMRB 51416 'apo Bromodomain 1 (BD1) of BRD4' 51418 BMRB 51417 'apo Bromodomain 2 (BD2) of BRD4' 51418 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51418 _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. . . . 51418 1 2 Romel Bobby R. . . . 51418 1 3 Liz Flavell L. . . . 51418 1 4 Alexander Milbradt A. G. . . 51418 1 5 Geoffrey Holdgate G. A. . . 51418 1 6 Kevin Embrey K. J. . . 51418 1 7 Mikael Akke M. . . . 51418 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51418 _Assembly.ID 1 _Assembly.Name 'apo Bromodomain 1 (BD1), linker, Bromodomain 2 (BD2) of BRD4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 47025.22 _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 . . . 51418 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51418 _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 . 51418 1 2 45 PRO . 51418 1 3 46 PRO . 51418 1 4 47 PRO . 51418 1 5 48 PRO . 51418 1 6 49 GLU . 51418 1 7 50 THR . 51418 1 8 51 SER . 51418 1 9 52 ASN . 51418 1 10 53 PRO . 51418 1 11 54 ASN . 51418 1 12 55 LYS . 51418 1 13 56 PRO . 51418 1 14 57 LYS . 51418 1 15 58 ARG . 51418 1 16 59 GLN . 51418 1 17 60 THR . 51418 1 18 61 ASN . 51418 1 19 62 GLN . 51418 1 20 63 LEU . 51418 1 21 64 GLN . 51418 1 22 65 TYR . 51418 1 23 66 LEU . 51418 1 24 67 LEU . 51418 1 25 68 ARG . 51418 1 26 69 VAL . 51418 1 27 70 VAL . 51418 1 28 71 LEU . 51418 1 29 72 LYS . 51418 1 30 73 THR . 51418 1 31 74 LEU . 51418 1 32 75 TRP . 51418 1 33 76 LYS . 51418 1 34 77 HIS . 51418 1 35 78 GLN . 51418 1 36 79 PHE . 51418 1 37 80 ALA . 51418 1 38 81 TRP . 51418 1 39 82 PRO . 51418 1 40 83 PHE . 51418 1 41 84 GLN . 51418 1 42 85 GLN . 51418 1 43 86 PRO . 51418 1 44 87 VAL . 51418 1 45 88 ASP . 51418 1 46 89 ALA . 51418 1 47 90 VAL . 51418 1 48 91 LYS . 51418 1 49 92 LEU . 51418 1 50 93 ASN . 51418 1 51 94 LEU . 51418 1 52 95 PRO . 51418 1 53 96 ASP . 51418 1 54 97 TYR . 51418 1 55 98 TYR . 51418 1 56 99 LYS . 51418 1 57 100 ILE . 51418 1 58 101 ILE . 51418 1 59 102 LYS . 51418 1 60 103 THR . 51418 1 61 104 PRO . 51418 1 62 105 MET . 51418 1 63 106 ASP . 51418 1 64 107 MET . 51418 1 65 108 GLY . 51418 1 66 109 THR . 51418 1 67 110 ILE . 51418 1 68 111 LYS . 51418 1 69 112 LYS . 51418 1 70 113 ARG . 51418 1 71 114 LEU . 51418 1 72 115 GLU . 51418 1 73 116 ASN . 51418 1 74 117 ASN . 51418 1 75 118 TYR . 51418 1 76 119 TYR . 51418 1 77 120 TRP . 51418 1 78 121 ASN . 51418 1 79 122 ALA . 51418 1 80 123 GLN . 51418 1 81 124 GLU . 51418 1 82 125 CYS . 51418 1 83 126 ILE . 51418 1 84 127 GLN . 51418 1 85 128 ASP . 51418 1 86 129 PHE . 51418 1 87 130 ASN . 51418 1 88 131 THR . 51418 1 89 132 MET . 51418 1 90 133 PHE . 51418 1 91 134 THR . 51418 1 92 135 ASN . 51418 1 93 136 CYS . 51418 1 94 137 TYR . 51418 1 95 138 ILE . 51418 1 96 139 TYR . 51418 1 97 140 ASN . 51418 1 98 141 LYS . 51418 1 99 142 PRO . 51418 1 100 143 GLY . 51418 1 101 144 ASP . 51418 1 102 145 ASP . 51418 1 103 146 ILE . 51418 1 104 147 VAL . 51418 1 105 148 LEU . 51418 1 106 149 MET . 51418 1 107 150 ALA . 51418 1 108 151 GLU . 51418 1 109 152 ALA . 51418 1 110 153 LEU . 51418 1 111 154 GLU . 51418 1 112 155 LYS . 51418 1 113 156 LEU . 51418 1 114 157 PHE . 51418 1 115 158 LEU . 51418 1 116 159 GLN . 51418 1 117 160 LYS . 51418 1 118 161 ILE . 51418 1 119 162 ASN . 51418 1 120 163 GLU . 51418 1 121 164 LEU . 51418 1 122 165 PRO . 51418 1 123 166 THR . 51418 1 124 167 GLU . 51418 1 125 168 GLU . 51418 1 126 169 THR . 51418 1 127 170 GLU . 51418 1 128 171 ILE . 51418 1 129 172 MET . 51418 1 130 173 ILE . 51418 1 131 174 VAL . 51418 1 132 175 GLN . 51418 1 133 176 ALA . 51418 1 134 177 LYS . 51418 1 135 178 GLY . 51418 1 136 179 ARG . 51418 1 137 180 GLY . 51418 1 138 181 ARG . 51418 1 139 182 GLY . 51418 1 140 183 ARG . 51418 1 141 184 LYS . 51418 1 142 185 GLU . 51418 1 143 186 THR . 51418 1 144 187 GLY . 51418 1 145 188 THR . 51418 1 146 189 ALA . 51418 1 147 190 LYS . 51418 1 148 191 PRO . 51418 1 149 192 GLY . 51418 1 150 193 VAL . 51418 1 151 194 SER . 51418 1 152 195 THR . 51418 1 153 196 VAL . 51418 1 154 197 PRO . 51418 1 155 198 ASN . 51418 1 156 199 THR . 51418 1 157 200 THR . 51418 1 158 201 GLN . 51418 1 159 202 ALA . 51418 1 160 203 SER . 51418 1 161 204 THR . 51418 1 162 205 PRO . 51418 1 163 206 PRO . 51418 1 164 207 GLN . 51418 1 165 208 THR . 51418 1 166 209 GLN . 51418 1 167 210 THR . 51418 1 168 211 PRO . 51418 1 169 212 GLN . 51418 1 170 213 PRO . 51418 1 171 214 ASN . 51418 1 172 215 PRO . 51418 1 173 216 PRO . 51418 1 174 217 PRO . 51418 1 175 218 VAL . 51418 1 176 219 GLN . 51418 1 177 220 ALA . 51418 1 178 221 THR . 51418 1 179 222 PRO . 51418 1 180 223 HIS . 51418 1 181 224 PRO . 51418 1 182 225 PHE . 51418 1 183 226 PRO . 51418 1 184 227 ALA . 51418 1 185 228 VAL . 51418 1 186 229 THR . 51418 1 187 230 PRO . 51418 1 188 231 ASP . 51418 1 189 232 LEU . 51418 1 190 233 ILE . 51418 1 191 234 VAL . 51418 1 192 235 GLN . 51418 1 193 236 THR . 51418 1 194 237 PRO . 51418 1 195 238 VAL . 51418 1 196 239 MET . 51418 1 197 240 THR . 51418 1 198 241 VAL . 51418 1 199 242 VAL . 51418 1 200 243 PRO . 51418 1 201 244 PRO . 51418 1 202 245 GLN . 51418 1 203 246 PRO . 51418 1 204 247 LEU . 51418 1 205 248 GLN . 51418 1 206 249 THR . 51418 1 207 250 PRO . 51418 1 208 251 PRO . 51418 1 209 252 PRO . 51418 1 210 253 VAL . 51418 1 211 254 PRO . 51418 1 212 255 PRO . 51418 1 213 256 GLN . 51418 1 214 257 PRO . 51418 1 215 258 GLN . 51418 1 216 259 PRO . 51418 1 217 260 PRO . 51418 1 218 261 PRO . 51418 1 219 262 ALA . 51418 1 220 263 PRO . 51418 1 221 264 ALA . 51418 1 222 265 PRO . 51418 1 223 266 GLN . 51418 1 224 267 PRO . 51418 1 225 268 VAL . 51418 1 226 269 GLN . 51418 1 227 270 SER . 51418 1 228 271 HIS . 51418 1 229 272 PRO . 51418 1 230 273 PRO . 51418 1 231 274 ILE . 51418 1 232 275 ILE . 51418 1 233 276 ALA . 51418 1 234 277 ALA . 51418 1 235 278 THR . 51418 1 236 279 PRO . 51418 1 237 280 GLN . 51418 1 238 281 PRO . 51418 1 239 282 VAL . 51418 1 240 283 LYS . 51418 1 241 284 THR . 51418 1 242 285 LYS . 51418 1 243 286 LYS . 51418 1 244 287 GLY . 51418 1 245 288 VAL . 51418 1 246 289 LYS . 51418 1 247 290 ARG . 51418 1 248 291 LYS . 51418 1 249 292 ALA . 51418 1 250 293 ASP . 51418 1 251 294 THR . 51418 1 252 295 THR . 51418 1 253 296 THR . 51418 1 254 297 PRO . 51418 1 255 298 THR . 51418 1 256 299 THR . 51418 1 257 300 ILE . 51418 1 258 301 ASP . 51418 1 259 302 PRO . 51418 1 260 303 ILE . 51418 1 261 304 HIS . 51418 1 262 305 GLU . 51418 1 263 306 PRO . 51418 1 264 307 PRO . 51418 1 265 308 SER . 51418 1 266 309 LEU . 51418 1 267 310 PRO . 51418 1 268 311 PRO . 51418 1 269 312 GLU . 51418 1 270 313 PRO . 51418 1 271 314 LYS . 51418 1 272 315 THR . 51418 1 273 316 THR . 51418 1 274 317 LYS . 51418 1 275 318 LEU . 51418 1 276 319 GLY . 51418 1 277 320 GLN . 51418 1 278 321 ARG . 51418 1 279 322 ARG . 51418 1 280 323 GLU . 51418 1 281 324 SER . 51418 1 282 325 SER . 51418 1 283 326 ARG . 51418 1 284 327 PRO . 51418 1 285 328 VAL . 51418 1 286 329 LYS . 51418 1 287 330 PRO . 51418 1 288 331 PRO . 51418 1 289 332 LYS . 51418 1 290 333 LYS . 51418 1 291 334 ASP . 51418 1 292 335 VAL . 51418 1 293 336 PRO . 51418 1 294 337 ASP . 51418 1 295 338 SER . 51418 1 296 339 GLN . 51418 1 297 340 GLN . 51418 1 298 341 HIS . 51418 1 299 342 PRO . 51418 1 300 343 ALA . 51418 1 301 344 PRO . 51418 1 302 345 GLU . 51418 1 303 346 LYS . 51418 1 304 347 SER . 51418 1 305 348 SER . 51418 1 306 349 LYS . 51418 1 307 350 VAL . 51418 1 308 351 SER . 51418 1 309 352 GLU . 51418 1 310 353 GLN . 51418 1 311 354 LEU . 51418 1 312 355 LYS . 51418 1 313 356 CYS . 51418 1 314 357 CYS . 51418 1 315 358 SER . 51418 1 316 359 GLY . 51418 1 317 360 ILE . 51418 1 318 361 LEU . 51418 1 319 362 LYS . 51418 1 320 363 GLU . 51418 1 321 364 MET . 51418 1 322 365 PHE . 51418 1 323 366 ALA . 51418 1 324 367 LYS . 51418 1 325 368 LYS . 51418 1 326 369 HIS . 51418 1 327 370 ALA . 51418 1 328 371 ALA . 51418 1 329 372 TYR . 51418 1 330 373 ALA . 51418 1 331 374 TRP . 51418 1 332 375 PRO . 51418 1 333 376 PHE . 51418 1 334 377 TYR . 51418 1 335 378 LYS . 51418 1 336 379 PRO . 51418 1 337 380 VAL . 51418 1 338 381 ASP . 51418 1 339 382 VAL . 51418 1 340 383 GLU . 51418 1 341 384 ALA . 51418 1 342 385 LEU . 51418 1 343 386 GLY . 51418 1 344 387 LEU . 51418 1 345 388 HIS . 51418 1 346 389 ASP . 51418 1 347 390 TYR . 51418 1 348 391 CYS . 51418 1 349 392 ASP . 51418 1 350 393 ILE . 51418 1 351 394 ILE . 51418 1 352 395 LYS . 51418 1 353 396 HIS . 51418 1 354 397 PRO . 51418 1 355 398 MET . 51418 1 356 399 ASP . 51418 1 357 400 MET . 51418 1 358 401 SER . 51418 1 359 402 THR . 51418 1 360 403 ILE . 51418 1 361 404 LYS . 51418 1 362 405 SER . 51418 1 363 406 LYS . 51418 1 364 407 LEU . 51418 1 365 408 GLU . 51418 1 366 409 ALA . 51418 1 367 410 ARG . 51418 1 368 411 GLU . 51418 1 369 412 TYR . 51418 1 370 413 ARG . 51418 1 371 414 ASP . 51418 1 372 415 ALA . 51418 1 373 416 GLN . 51418 1 374 417 GLU . 51418 1 375 418 PHE . 51418 1 376 419 GLY . 51418 1 377 420 ALA . 51418 1 378 421 ASP . 51418 1 379 422 VAL . 51418 1 380 423 ARG . 51418 1 381 424 LEU . 51418 1 382 425 MET . 51418 1 383 426 PHE . 51418 1 384 427 SER . 51418 1 385 428 ASN . 51418 1 386 429 CYS . 51418 1 387 430 TYR . 51418 1 388 431 LYS . 51418 1 389 432 TYR . 51418 1 390 433 ASN . 51418 1 391 434 PRO . 51418 1 392 435 PRO . 51418 1 393 436 ASP . 51418 1 394 437 HIS . 51418 1 395 438 GLU . 51418 1 396 439 VAL . 51418 1 397 440 VAL . 51418 1 398 441 ALA . 51418 1 399 442 MET . 51418 1 400 443 ALA . 51418 1 401 444 ARG . 51418 1 402 445 LYS . 51418 1 403 446 LEU . 51418 1 404 447 GLN . 51418 1 405 448 ASP . 51418 1 406 449 VAL . 51418 1 407 450 PHE . 51418 1 408 451 GLU . 51418 1 409 452 MET . 51418 1 410 453 ARG . 51418 1 411 454 PHE . 51418 1 412 455 ALA . 51418 1 413 456 LYS . 51418 1 414 457 MET . 51418 1 415 458 PRO . 51418 1 416 459 ASP . 51418 1 417 460 GLU . 51418 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 51418 1 . PRO 2 2 51418 1 . PRO 3 3 51418 1 . PRO 4 4 51418 1 . PRO 5 5 51418 1 . GLU 6 6 51418 1 . THR 7 7 51418 1 . SER 8 8 51418 1 . ASN 9 9 51418 1 . PRO 10 10 51418 1 . ASN 11 11 51418 1 . LYS 12 12 51418 1 . PRO 13 13 51418 1 . LYS 14 14 51418 1 . ARG 15 15 51418 1 . GLN 16 16 51418 1 . THR 17 17 51418 1 . ASN 18 18 51418 1 . GLN 19 19 51418 1 . LEU 20 20 51418 1 . GLN 21 21 51418 1 . TYR 22 22 51418 1 . LEU 23 23 51418 1 . LEU 24 24 51418 1 . ARG 25 25 51418 1 . VAL 26 26 51418 1 . VAL 27 27 51418 1 . LEU 28 28 51418 1 . LYS 29 29 51418 1 . THR 30 30 51418 1 . LEU 31 31 51418 1 . TRP 32 32 51418 1 . LYS 33 33 51418 1 . HIS 34 34 51418 1 . GLN 35 35 51418 1 . PHE 36 36 51418 1 . ALA 37 37 51418 1 . TRP 38 38 51418 1 . PRO 39 39 51418 1 . PHE 40 40 51418 1 . GLN 41 41 51418 1 . GLN 42 42 51418 1 . PRO 43 43 51418 1 . VAL 44 44 51418 1 . ASP 45 45 51418 1 . ALA 46 46 51418 1 . VAL 47 47 51418 1 . LYS 48 48 51418 1 . LEU 49 49 51418 1 . ASN 50 50 51418 1 . LEU 51 51 51418 1 . PRO 52 52 51418 1 . ASP 53 53 51418 1 . TYR 54 54 51418 1 . TYR 55 55 51418 1 . LYS 56 56 51418 1 . ILE 57 57 51418 1 . ILE 58 58 51418 1 . LYS 59 59 51418 1 . THR 60 60 51418 1 . PRO 61 61 51418 1 . MET 62 62 51418 1 . ASP 63 63 51418 1 . MET 64 64 51418 1 . GLY 65 65 51418 1 . THR 66 66 51418 1 . ILE 67 67 51418 1 . LYS 68 68 51418 1 . LYS 69 69 51418 1 . ARG 70 70 51418 1 . LEU 71 71 51418 1 . GLU 72 72 51418 1 . ASN 73 73 51418 1 . ASN 74 74 51418 1 . TYR 75 75 51418 1 . TYR 76 76 51418 1 . TRP 77 77 51418 1 . ASN 78 78 51418 1 . ALA 79 79 51418 1 . GLN 80 80 51418 1 . GLU 81 81 51418 1 . CYS 82 82 51418 1 . ILE 83 83 51418 1 . GLN 84 84 51418 1 . ASP 85 85 51418 1 . PHE 86 86 51418 1 . ASN 87 87 51418 1 . THR 88 88 51418 1 . MET 89 89 51418 1 . PHE 90 90 51418 1 . THR 91 91 51418 1 . ASN 92 92 51418 1 . CYS 93 93 51418 1 . TYR 94 94 51418 1 . ILE 95 95 51418 1 . TYR 96 96 51418 1 . ASN 97 97 51418 1 . LYS 98 98 51418 1 . PRO 99 99 51418 1 . GLY 100 100 51418 1 . ASP 101 101 51418 1 . ASP 102 102 51418 1 . ILE 103 103 51418 1 . VAL 104 104 51418 1 . LEU 105 105 51418 1 . MET 106 106 51418 1 . ALA 107 107 51418 1 . GLU 108 108 51418 1 . ALA 109 109 51418 1 . LEU 110 110 51418 1 . GLU 111 111 51418 1 . LYS 112 112 51418 1 . LEU 113 113 51418 1 . PHE 114 114 51418 1 . LEU 115 115 51418 1 . GLN 116 116 51418 1 . LYS 117 117 51418 1 . ILE 118 118 51418 1 . ASN 119 119 51418 1 . GLU 120 120 51418 1 . LEU 121 121 51418 1 . PRO 122 122 51418 1 . THR 123 123 51418 1 . GLU 124 124 51418 1 . GLU 125 125 51418 1 . THR 126 126 51418 1 . GLU 127 127 51418 1 . ILE 128 128 51418 1 . MET 129 129 51418 1 . ILE 130 130 51418 1 . VAL 131 131 51418 1 . GLN 132 132 51418 1 . ALA 133 133 51418 1 . LYS 134 134 51418 1 . GLY 135 135 51418 1 . ARG 136 136 51418 1 . GLY 137 137 51418 1 . ARG 138 138 51418 1 . GLY 139 139 51418 1 . ARG 140 140 51418 1 . LYS 141 141 51418 1 . GLU 142 142 51418 1 . THR 143 143 51418 1 . GLY 144 144 51418 1 . THR 145 145 51418 1 . ALA 146 146 51418 1 . LYS 147 147 51418 1 . PRO 148 148 51418 1 . GLY 149 149 51418 1 . VAL 150 150 51418 1 . SER 151 151 51418 1 . THR 152 152 51418 1 . VAL 153 153 51418 1 . PRO 154 154 51418 1 . ASN 155 155 51418 1 . THR 156 156 51418 1 . THR 157 157 51418 1 . GLN 158 158 51418 1 . ALA 159 159 51418 1 . SER 160 160 51418 1 . THR 161 161 51418 1 . PRO 162 162 51418 1 . PRO 163 163 51418 1 . GLN 164 164 51418 1 . THR 165 165 51418 1 . GLN 166 166 51418 1 . THR 167 167 51418 1 . PRO 168 168 51418 1 . GLN 169 169 51418 1 . PRO 170 170 51418 1 . ASN 171 171 51418 1 . PRO 172 172 51418 1 . PRO 173 173 51418 1 . PRO 174 174 51418 1 . VAL 175 175 51418 1 . GLN 176 176 51418 1 . ALA 177 177 51418 1 . THR 178 178 51418 1 . PRO 179 179 51418 1 . HIS 180 180 51418 1 . PRO 181 181 51418 1 . PHE 182 182 51418 1 . PRO 183 183 51418 1 . ALA 184 184 51418 1 . VAL 185 185 51418 1 . THR 186 186 51418 1 . PRO 187 187 51418 1 . ASP 188 188 51418 1 . LEU 189 189 51418 1 . ILE 190 190 51418 1 . VAL 191 191 51418 1 . GLN 192 192 51418 1 . THR 193 193 51418 1 . PRO 194 194 51418 1 . VAL 195 195 51418 1 . MET 196 196 51418 1 . THR 197 197 51418 1 . VAL 198 198 51418 1 . VAL 199 199 51418 1 . PRO 200 200 51418 1 . PRO 201 201 51418 1 . GLN 202 202 51418 1 . PRO 203 203 51418 1 . LEU 204 204 51418 1 . GLN 205 205 51418 1 . THR 206 206 51418 1 . PRO 207 207 51418 1 . PRO 208 208 51418 1 . PRO 209 209 51418 1 . VAL 210 210 51418 1 . PRO 211 211 51418 1 . PRO 212 212 51418 1 . GLN 213 213 51418 1 . PRO 214 214 51418 1 . GLN 215 215 51418 1 . PRO 216 216 51418 1 . PRO 217 217 51418 1 . PRO 218 218 51418 1 . ALA 219 219 51418 1 . PRO 220 220 51418 1 . ALA 221 221 51418 1 . PRO 222 222 51418 1 . GLN 223 223 51418 1 . PRO 224 224 51418 1 . VAL 225 225 51418 1 . GLN 226 226 51418 1 . SER 227 227 51418 1 . HIS 228 228 51418 1 . PRO 229 229 51418 1 . PRO 230 230 51418 1 . ILE 231 231 51418 1 . ILE 232 232 51418 1 . ALA 233 233 51418 1 . ALA 234 234 51418 1 . THR 235 235 51418 1 . PRO 236 236 51418 1 . GLN 237 237 51418 1 . PRO 238 238 51418 1 . VAL 239 239 51418 1 . LYS 240 240 51418 1 . THR 241 241 51418 1 . LYS 242 242 51418 1 . LYS 243 243 51418 1 . GLY 244 244 51418 1 . VAL 245 245 51418 1 . LYS 246 246 51418 1 . ARG 247 247 51418 1 . LYS 248 248 51418 1 . ALA 249 249 51418 1 . ASP 250 250 51418 1 . THR 251 251 51418 1 . THR 252 252 51418 1 . THR 253 253 51418 1 . PRO 254 254 51418 1 . THR 255 255 51418 1 . THR 256 256 51418 1 . ILE 257 257 51418 1 . ASP 258 258 51418 1 . PRO 259 259 51418 1 . ILE 260 260 51418 1 . HIS 261 261 51418 1 . GLU 262 262 51418 1 . PRO 263 263 51418 1 . PRO 264 264 51418 1 . SER 265 265 51418 1 . LEU 266 266 51418 1 . PRO 267 267 51418 1 . PRO 268 268 51418 1 . GLU 269 269 51418 1 . PRO 270 270 51418 1 . LYS 271 271 51418 1 . THR 272 272 51418 1 . THR 273 273 51418 1 . LYS 274 274 51418 1 . LEU 275 275 51418 1 . GLY 276 276 51418 1 . GLN 277 277 51418 1 . ARG 278 278 51418 1 . ARG 279 279 51418 1 . GLU 280 280 51418 1 . SER 281 281 51418 1 . SER 282 282 51418 1 . ARG 283 283 51418 1 . PRO 284 284 51418 1 . VAL 285 285 51418 1 . LYS 286 286 51418 1 . PRO 287 287 51418 1 . PRO 288 288 51418 1 . LYS 289 289 51418 1 . LYS 290 290 51418 1 . ASP 291 291 51418 1 . VAL 292 292 51418 1 . PRO 293 293 51418 1 . ASP 294 294 51418 1 . SER 295 295 51418 1 . GLN 296 296 51418 1 . GLN 297 297 51418 1 . HIS 298 298 51418 1 . PRO 299 299 51418 1 . ALA 300 300 51418 1 . PRO 301 301 51418 1 . GLU 302 302 51418 1 . LYS 303 303 51418 1 . SER 304 304 51418 1 . SER 305 305 51418 1 . LYS 306 306 51418 1 . VAL 307 307 51418 1 . SER 308 308 51418 1 . GLU 309 309 51418 1 . GLN 310 310 51418 1 . LEU 311 311 51418 1 . LYS 312 312 51418 1 . CYS 313 313 51418 1 . CYS 314 314 51418 1 . SER 315 315 51418 1 . GLY 316 316 51418 1 . ILE 317 317 51418 1 . LEU 318 318 51418 1 . LYS 319 319 51418 1 . GLU 320 320 51418 1 . MET 321 321 51418 1 . PHE 322 322 51418 1 . ALA 323 323 51418 1 . LYS 324 324 51418 1 . LYS 325 325 51418 1 . HIS 326 326 51418 1 . ALA 327 327 51418 1 . ALA 328 328 51418 1 . TYR 329 329 51418 1 . ALA 330 330 51418 1 . TRP 331 331 51418 1 . PRO 332 332 51418 1 . PHE 333 333 51418 1 . TYR 334 334 51418 1 . LYS 335 335 51418 1 . PRO 336 336 51418 1 . VAL 337 337 51418 1 . ASP 338 338 51418 1 . VAL 339 339 51418 1 . GLU 340 340 51418 1 . ALA 341 341 51418 1 . LEU 342 342 51418 1 . GLY 343 343 51418 1 . LEU 344 344 51418 1 . HIS 345 345 51418 1 . ASP 346 346 51418 1 . TYR 347 347 51418 1 . CYS 348 348 51418 1 . ASP 349 349 51418 1 . ILE 350 350 51418 1 . ILE 351 351 51418 1 . LYS 352 352 51418 1 . HIS 353 353 51418 1 . PRO 354 354 51418 1 . MET 355 355 51418 1 . ASP 356 356 51418 1 . MET 357 357 51418 1 . SER 358 358 51418 1 . THR 359 359 51418 1 . ILE 360 360 51418 1 . LYS 361 361 51418 1 . SER 362 362 51418 1 . LYS 363 363 51418 1 . LEU 364 364 51418 1 . GLU 365 365 51418 1 . ALA 366 366 51418 1 . ARG 367 367 51418 1 . GLU 368 368 51418 1 . TYR 369 369 51418 1 . ARG 370 370 51418 1 . ASP 371 371 51418 1 . ALA 372 372 51418 1 . GLN 373 373 51418 1 . GLU 374 374 51418 1 . PHE 375 375 51418 1 . GLY 376 376 51418 1 . ALA 377 377 51418 1 . ASP 378 378 51418 1 . VAL 379 379 51418 1 . ARG 380 380 51418 1 . LEU 381 381 51418 1 . MET 382 382 51418 1 . PHE 383 383 51418 1 . SER 384 384 51418 1 . ASN 385 385 51418 1 . CYS 386 386 51418 1 . TYR 387 387 51418 1 . LYS 388 388 51418 1 . TYR 389 389 51418 1 . ASN 390 390 51418 1 . PRO 391 391 51418 1 . PRO 392 392 51418 1 . ASP 393 393 51418 1 . HIS 394 394 51418 1 . GLU 395 395 51418 1 . VAL 396 396 51418 1 . VAL 397 397 51418 1 . ALA 398 398 51418 1 . MET 399 399 51418 1 . ALA 400 400 51418 1 . ARG 401 401 51418 1 . LYS 402 402 51418 1 . LEU 403 403 51418 1 . GLN 404 404 51418 1 . ASP 405 405 51418 1 . VAL 406 406 51418 1 . PHE 407 407 51418 1 . GLU 408 408 51418 1 . MET 409 409 51418 1 . ARG 410 410 51418 1 . PHE 411 411 51418 1 . ALA 412 412 51418 1 . LYS 413 413 51418 1 . MET 414 414 51418 1 . PRO 415 415 51418 1 . ASP 416 416 51418 1 . GLU 417 417 51418 1 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 51418 _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 . . . . . . . . . . . . . 51418 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 51418 _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 . . . 51418 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51418 _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 . . . . 51418 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51418 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51418 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51418 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 51418 _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 51418 1 pH 6.8 . pH 51418 1 pressure 1 . atm 51418 1 temperature 303 . K 51418 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51418 _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' . 51418 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51418 _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 . 51418 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51418 _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' . 51418 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 51418 _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 51418 _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 51418 _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 . . . . . . . . . . . . . . . . . 51418 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 1 6 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51418 1 7 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 1 8 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51418 1 9 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 1 10 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51418 1 11 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 1 12 'transverse cross-correlated dipole/CSA relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51418 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 51418 _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 . . . . . 51418 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51418 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 51418 _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' . . . 51418 1 2 '3D CBCA(CO)NH' . . . 51418 1 3 '3D HN(CO)CA' . . . 51418 1 4 '3D HNCA' . . . 51418 1 5 '3D HNCO' . . . 51418 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 . . 51418 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 8.409 . . 1 . . . . . 54 ASN H . 51418 1 2 . 1 . 1 11 11 ASN N N 15 116.0261 . . 1 . . . . . 54 ASN N . 51418 1 3 . 1 . 1 12 12 LYS H H 1 7.448 . . 1 . . . . . 55 LYS H . 51418 1 4 . 1 . 1 12 12 LYS N N 15 123.373 . . 1 . . . . . 55 LYS N . 51418 1 5 . 1 . 1 14 14 LYS H H 1 8.472 . . 1 . . . . . 57 LYS H . 51418 1 6 . 1 . 1 14 14 LYS N N 15 121.692 . . 1 . . . . . 57 LYS N . 51418 1 7 . 1 . 1 15 15 ARG H H 1 8.513 . . 1 . . . . . 58 ARG H . 51418 1 8 . 1 . 1 15 15 ARG N N 15 123.2 . . 1 . . . . . 58 ARG N . 51418 1 9 . 1 . 1 20 20 LEU H H 1 8.013 . . 1 . . . . . 63 LEU H . 51418 1 10 . 1 . 1 20 20 LEU N N 15 122.007 . . 1 . . . . . 63 LEU N . 51418 1 11 . 1 . 1 21 21 GLN H H 1 8.4449 . . 1 . . . . . 64 GLN H . 51418 1 12 . 1 . 1 21 21 GLN N N 15 119.6114 . . 1 . . . . . 64 GLN N . 51418 1 13 . 1 . 1 22 22 TYR H H 1 7.839 . . 1 . . . . . 65 TYR H . 51418 1 14 . 1 . 1 22 22 TYR N N 15 121.587 . . 1 . . . . . 65 TYR N . 51418 1 15 . 1 . 1 23 23 LEU H H 1 8.5203 . . 1 . . . . . 66 LEU H . 51418 1 16 . 1 . 1 23 23 LEU N N 15 121.6263 . . 1 . . . . . 66 LEU N . 51418 1 17 . 1 . 1 24 24 LEU H H 1 7.797 . . 1 . . . . . 67 LEU H . 51418 1 18 . 1 . 1 24 24 LEU N N 15 118.535 . . 1 . . . . . 67 LEU N . 51418 1 19 . 1 . 1 25 25 ARG H H 1 8.728 . . 1 . . . . . 68 ARG H . 51418 1 20 . 1 . 1 25 25 ARG N N 15 115.305 . . 1 . . . . . 68 ARG N . 51418 1 21 . 1 . 1 26 26 VAL H H 1 8.08 . . 1 . . . . . 69 VAL H . 51418 1 22 . 1 . 1 26 26 VAL N N 15 115.341 . . 1 . . . . . 69 VAL N . 51418 1 23 . 1 . 1 27 27 VAL H H 1 7.417 . . 1 . . . . . 70 VAL H . 51418 1 24 . 1 . 1 27 27 VAL N N 15 120.5 . . 1 . . . . . 70 VAL N . 51418 1 25 . 1 . 1 28 28 LEU H H 1 9.501 . . 1 . . . . . 71 LEU H . 51418 1 26 . 1 . 1 28 28 LEU N N 15 120.133 . . 1 . . . . . 71 LEU N . 51418 1 27 . 1 . 1 29 29 LYS H H 1 6.462 . . 1 . . . . . 72 LYS H . 51418 1 28 . 1 . 1 29 29 LYS N N 15 115.696 . . 1 . . . . . 72 LYS N . 51418 1 29 . 1 . 1 30 30 THR H H 1 7.339 . . 1 . . . . . 73 THR H . 51418 1 30 . 1 . 1 30 30 THR N N 15 112.747 . . 1 . . . . . 73 THR N . 51418 1 31 . 1 . 1 31 31 LEU H H 1 8.0788 . . 1 . . . . . 74 LEU H . 51418 1 32 . 1 . 1 31 31 LEU N N 15 121.8955 . . 1 . . . . . 74 LEU N . 51418 1 33 . 1 . 1 32 32 TRP H H 1 9.137 . . 1 . . . . . 75 TRP H . 51418 1 34 . 1 . 1 32 32 TRP N N 15 117.124 . . 1 . . . . . 75 TRP N . 51418 1 35 . 1 . 1 33 33 LYS H H 1 6.997 . . 1 . . . . . 76 LYS H . 51418 1 36 . 1 . 1 33 33 LYS N N 15 109.635 . . 1 . . . . . 76 LYS N . 51418 1 37 . 1 . 1 34 34 HIS H H 1 7.593 . . 1 . . . . . 77 HIS H . 51418 1 38 . 1 . 1 34 34 HIS N N 15 123.978 . . 1 . . . . . 77 HIS N . 51418 1 39 . 1 . 1 35 35 GLN H H 1 8.391 . . 1 . . . . . 78 GLN H . 51418 1 40 . 1 . 1 35 35 GLN N N 15 128.409 . . 1 . . . . . 78 GLN N . 51418 1 41 . 1 . 1 36 36 PHE H H 1 11.434 . . 1 . . . . . 79 PHE H . 51418 1 42 . 1 . 1 36 36 PHE N N 15 122.027 . . 1 . . . . . 79 PHE N . 51418 1 43 . 1 . 1 37 37 ALA H H 1 8.007 . . 1 . . . . . 80 ALA H . 51418 1 44 . 1 . 1 37 37 ALA N N 15 117.205 . . 1 . . . . . 80 ALA N . 51418 1 45 . 1 . 1 38 38 TRP H H 1 7.539 . . 1 . . . . . 81 TRP H . 51418 1 46 . 1 . 1 38 38 TRP N N 15 116.364 . . 1 . . . . . 81 TRP N . 51418 1 47 . 1 . 1 40 40 PHE H H 1 7.874 . . 1 . . . . . 83 PHE H . 51418 1 48 . 1 . 1 40 40 PHE N N 15 112.433 . . 1 . . . . . 83 PHE N . 51418 1 49 . 1 . 1 41 41 GLN H H 1 6.968 . . 1 . . . . . 84 GLN H . 51418 1 50 . 1 . 1 41 41 GLN N N 15 118.55 . . 1 . . . . . 84 GLN N . 51418 1 51 . 1 . 1 42 42 GLN H H 1 7.3524 . . 1 . . . . . 85 GLN H . 51418 1 52 . 1 . 1 42 42 GLN N N 15 113.7226 . . 1 . . . . . 85 GLN N . 51418 1 53 . 1 . 1 44 44 VAL H H 1 8.541 . . 1 . . . . . 87 VAL H . 51418 1 54 . 1 . 1 44 44 VAL N N 15 125.319 . . 1 . . . . . 87 VAL N . 51418 1 55 . 1 . 1 45 45 ASP H H 1 8.352 . . 1 . . . . . 88 ASP H . 51418 1 56 . 1 . 1 45 45 ASP N N 15 131.174 . . 1 . . . . . 88 ASP N . 51418 1 57 . 1 . 1 46 46 ALA H H 1 8.151 . . 1 . . . . . 89 ALA H . 51418 1 58 . 1 . 1 46 46 ALA N N 15 126.653 . . 1 . . . . . 89 ALA N . 51418 1 59 . 1 . 1 47 47 VAL H H 1 7.966 . . 1 . . . . . 90 VAL H . 51418 1 60 . 1 . 1 47 47 VAL N N 15 119.414 . . 1 . . . . . 90 VAL N . 51418 1 61 . 1 . 1 48 48 LYS H H 1 7.99 . . 1 . . . . . 91 LYS H . 51418 1 62 . 1 . 1 48 48 LYS N N 15 123.178 . . 1 . . . . . 91 LYS N . 51418 1 63 . 1 . 1 49 49 LEU H H 1 7.807 . . 1 . . . . . 92 LEU H . 51418 1 64 . 1 . 1 49 49 LEU N N 15 114.738 . . 1 . . . . . 92 LEU N . 51418 1 65 . 1 . 1 50 50 ASN H H 1 7.482 . . 1 . . . . . 93 ASN H . 51418 1 66 . 1 . 1 50 50 ASN N N 15 116.966 . . 1 . . . . . 93 ASN N . 51418 1 67 . 1 . 1 51 51 LEU H H 1 8.321 . . 1 . . . . . 94 LEU H . 51418 1 68 . 1 . 1 51 51 LEU N N 15 118.376 . . 1 . . . . . 94 LEU N . 51418 1 69 . 1 . 1 54 54 TYR H H 1 7.606 . . 1 . . . . . 97 TYR H . 51418 1 70 . 1 . 1 54 54 TYR N N 15 124.007 . . 1 . . . . . 97 TYR N . 51418 1 71 . 1 . 1 55 55 TYR H H 1 8.548 . . 1 . . . . . 98 TYR H . 51418 1 72 . 1 . 1 55 55 TYR N N 15 112.457 . . 1 . . . . . 98 TYR N . 51418 1 73 . 1 . 1 56 56 LYS H H 1 7.236 . . 1 . . . . . 99 LYS H . 51418 1 74 . 1 . 1 56 56 LYS N N 15 118.639 . . 1 . . . . . 99 LYS N . 51418 1 75 . 1 . 1 57 57 ILE H H 1 7.29 . . 1 . . . . . 100 ILE H . 51418 1 76 . 1 . 1 57 57 ILE N N 15 119.401 . . 1 . . . . . 100 ILE N . 51418 1 77 . 1 . 1 59 59 LYS H H 1 7.704 . . 1 . . . . . 102 LYS H . 51418 1 78 . 1 . 1 59 59 LYS N N 15 125.125 . . 1 . . . . . 102 LYS N . 51418 1 79 . 1 . 1 60 60 THR H H 1 8.24 . . 1 . . . . . 103 THR H . 51418 1 80 . 1 . 1 60 60 THR N N 15 112.375 . . 1 . . . . . 103 THR N . 51418 1 81 . 1 . 1 62 62 MET H H 1 8.221 . . 1 . . . . . 105 MET H . 51418 1 82 . 1 . 1 62 62 MET N N 15 119.418 . . 1 . . . . . 105 MET N . 51418 1 83 . 1 . 1 63 63 ASP H H 1 7.258 . . 1 . . . . . 106 ASP H . 51418 1 84 . 1 . 1 63 63 ASP N N 15 120.005 . . 1 . . . . . 106 ASP N . 51418 1 85 . 1 . 1 64 64 MET H H 1 9.153 . . 1 . . . . . 107 MET H . 51418 1 86 . 1 . 1 64 64 MET N N 15 119.554 . . 1 . . . . . 107 MET N . 51418 1 87 . 1 . 1 65 65 GLY H H 1 8.598 . . 1 . . . . . 108 GLY H . 51418 1 88 . 1 . 1 65 65 GLY N N 15 113.285 . . 1 . . . . . 108 GLY N . 51418 1 89 . 1 . 1 66 66 THR H H 1 8.4322 . . 1 . . . . . 109 THR H . 51418 1 90 . 1 . 1 66 66 THR N N 15 124.7626 . . 1 . . . . . 109 THR N . 51418 1 91 . 1 . 1 67 67 ILE H H 1 7.275 . . 1 . . . . . 110 ILE H . 51418 1 92 . 1 . 1 67 67 ILE N N 15 122.21 . . 1 . . . . . 110 ILE N . 51418 1 93 . 1 . 1 68 68 LYS H H 1 8.414 . . 1 . . . . . 111 LYS H . 51418 1 94 . 1 . 1 68 68 LYS N N 15 120.119 . . 1 . . . . . 111 LYS N . 51418 1 95 . 1 . 1 69 69 LYS H H 1 7.836 . . 1 . . . . . 112 LYS H . 51418 1 96 . 1 . 1 69 69 LYS N N 15 117.49 . . 1 . . . . . 112 LYS N . 51418 1 97 . 1 . 1 70 70 ARG H H 1 8.538 . . 1 . . . . . 113 ARG H . 51418 1 98 . 1 . 1 70 70 ARG N N 15 120.054 . . 1 . . . . . 113 ARG N . 51418 1 99 . 1 . 1 71 71 LEU H H 1 8.796 . . 1 . . . . . 114 LEU H . 51418 1 100 . 1 . 1 71 71 LEU N N 15 120.902 . . 1 . . . . . 114 LEU N . 51418 1 101 . 1 . 1 72 72 GLU H H 1 8.746 . . 1 . . . . . 115 GLU H . 51418 1 102 . 1 . 1 72 72 GLU N N 15 120.511 . . 1 . . . . . 115 GLU N . 51418 1 103 . 1 . 1 73 73 ASN H H 1 8.14 . . 1 . . . . . 116 ASN H . 51418 1 104 . 1 . 1 73 73 ASN N N 15 115.406 . . 1 . . . . . 116 ASN N . 51418 1 105 . 1 . 1 74 74 ASN H H 1 7.8941 . . 1 . . . . . 117 ASN H . 51418 1 106 . 1 . 1 74 74 ASN N N 15 116.4698 . . 1 . . . . . 117 ASN N . 51418 1 107 . 1 . 1 75 75 TYR H H 1 8.558 . . 1 . . . . . 118 TYR H . 51418 1 108 . 1 . 1 75 75 TYR N N 15 115.514 . . 1 . . . . . 118 TYR N . 51418 1 109 . 1 . 1 76 76 TYR H H 1 7.821 . . 1 . . . . . 119 TYR H . 51418 1 110 . 1 . 1 76 76 TYR N N 15 115.25 . . 1 . . . . . 119 TYR N . 51418 1 111 . 1 . 1 77 77 TRP H H 1 9.473 . . 1 . . . . . 120 TRP H . 51418 1 112 . 1 . 1 77 77 TRP N N 15 121.306 . . 1 . . . . . 120 TRP N . 51418 1 113 . 1 . 1 78 78 ASN H H 1 7.515 . . 1 . . . . . 121 ASN H . 51418 1 114 . 1 . 1 78 78 ASN N N 15 109.378 . . 1 . . . . . 121 ASN N . 51418 1 115 . 1 . 1 79 79 ALA H H 1 9.369 . . 1 . . . . . 122 ALA H . 51418 1 116 . 1 . 1 79 79 ALA N N 15 122.208 . . 1 . . . . . 122 ALA N . 51418 1 117 . 1 . 1 80 80 GLN H H 1 8.683 . . 1 . . . . . 123 GLN H . 51418 1 118 . 1 . 1 80 80 GLN N N 15 118.695 . . 1 . . . . . 123 GLN N . 51418 1 119 . 1 . 1 81 81 GLU H H 1 7.819 . . 1 . . . . . 124 GLU H . 51418 1 120 . 1 . 1 81 81 GLU N N 15 119.348 . . 1 . . . . . 124 GLU N . 51418 1 121 . 1 . 1 82 82 CYS H H 1 6.667 . . 1 . . . . . 125 CYS H . 51418 1 122 . 1 . 1 82 82 CYS N N 15 119.227 . . 1 . . . . . 125 CYS N . 51418 1 123 . 1 . 1 83 83 ILE H H 1 8.623 . . 1 . . . . . 126 ILE H . 51418 1 124 . 1 . 1 83 83 ILE N N 15 121.447 . . 1 . . . . . 126 ILE N . 51418 1 125 . 1 . 1 84 84 GLN H H 1 8.26 . . 1 . . . . . 127 GLN H . 51418 1 126 . 1 . 1 84 84 GLN N N 15 118.05 . . 1 . . . . . 127 GLN N . 51418 1 127 . 1 . 1 85 85 ASP H H 1 7.439 . . 1 . . . . . 128 ASP H . 51418 1 128 . 1 . 1 85 85 ASP N N 15 122.025 . . 1 . . . . . 128 ASP N . 51418 1 129 . 1 . 1 86 86 PHE H H 1 7.903 . . 1 . . . . . 129 PHE H . 51418 1 130 . 1 . 1 86 86 PHE N N 15 120.024 . . 1 . . . . . 129 PHE N . 51418 1 131 . 1 . 1 87 87 ASN H H 1 8.443 . . 1 . . . . . 130 ASN H . 51418 1 132 . 1 . 1 87 87 ASN N N 15 116.285 . . 1 . . . . . 130 ASN N . 51418 1 133 . 1 . 1 88 88 THR H H 1 8.896 . . 1 . . . . . 131 THR H . 51418 1 134 . 1 . 1 88 88 THR N N 15 121.555 . . 1 . . . . . 131 THR N . 51418 1 135 . 1 . 1 89 89 MET H H 1 7.627 . . 1 . . . . . 132 MET H . 51418 1 136 . 1 . 1 89 89 MET N N 15 120.789 . . 1 . . . . . 132 MET N . 51418 1 137 . 1 . 1 90 90 PHE H H 1 7.767 . . 1 . . . . . 133 PHE H . 51418 1 138 . 1 . 1 90 90 PHE N N 15 117.346 . . 1 . . . . . 133 PHE N . 51418 1 139 . 1 . 1 91 91 THR H H 1 8.567 . . 1 . . . . . 134 THR H . 51418 1 140 . 1 . 1 91 91 THR N N 15 113.671 . . 1 . . . . . 134 THR N . 51418 1 141 . 1 . 1 92 92 ASN H H 1 8.703 . . 1 . . . . . 135 ASN H . 51418 1 142 . 1 . 1 92 92 ASN N N 15 119.556 . . 1 . . . . . 135 ASN N . 51418 1 143 . 1 . 1 93 93 CYS H H 1 6.969 . . 1 . . . . . 136 CYS H . 51418 1 144 . 1 . 1 93 93 CYS N N 15 118.649 . . 1 . . . . . 136 CYS N . 51418 1 145 . 1 . 1 94 94 TYR H H 1 7.517 . . 1 . . . . . 137 TYR H . 51418 1 146 . 1 . 1 94 94 TYR N N 15 118.839 . . 1 . . . . . 137 TYR N . 51418 1 147 . 1 . 1 95 95 ILE H H 1 8.568 . . 1 . . . . . 138 ILE H . 51418 1 148 . 1 . 1 95 95 ILE N N 15 117.448 . . 1 . . . . . 138 ILE N . 51418 1 149 . 1 . 1 97 97 ASN H H 1 7.5295 . . 1 . . . . . 140 ASN H . 51418 1 150 . 1 . 1 97 97 ASN N N 15 114.3543 . . 1 . . . . . 140 ASN N . 51418 1 151 . 1 . 1 98 98 LYS H H 1 8.4945 . . 1 . . . . . 141 LYS H . 51418 1 152 . 1 . 1 98 98 LYS N N 15 120.8034 . . 1 . . . . . 141 LYS N . 51418 1 153 . 1 . 1 100 100 GLY H H 1 8.339 . . 1 . . . . . 143 GLY H . 51418 1 154 . 1 . 1 100 100 GLY N N 15 110.248 . . 1 . . . . . 143 GLY N . 51418 1 155 . 1 . 1 101 101 ASP H H 1 7.9766 . . 1 . . . . . 144 ASP H . 51418 1 156 . 1 . 1 101 101 ASP N N 15 122.3143 . . 1 . . . . . 144 ASP N . 51418 1 157 . 1 . 1 102 102 ASP H H 1 8.877 . . 1 . . . . . 145 ASP H . 51418 1 158 . 1 . 1 102 102 ASP N N 15 124.272 . . 1 . . . . . 145 ASP N . 51418 1 159 . 1 . 1 103 103 ILE H H 1 8.683 . . 1 . . . . . 146 ILE H . 51418 1 160 . 1 . 1 103 103 ILE N N 15 117.305 . . 1 . . . . . 146 ILE N . 51418 1 161 . 1 . 1 104 104 VAL H H 1 6.926 . . 1 . . . . . 147 VAL H . 51418 1 162 . 1 . 1 104 104 VAL N N 15 123.106 . . 1 . . . . . 147 VAL N . 51418 1 163 . 1 . 1 105 105 LEU H H 1 7.56 . . 1 . . . . . 148 LEU H . 51418 1 164 . 1 . 1 105 105 LEU N N 15 120.502 . . 1 . . . . . 148 LEU N . 51418 1 165 . 1 . 1 106 106 MET H H 1 7.955 . . 1 . . . . . 149 MET H . 51418 1 166 . 1 . 1 106 106 MET N N 15 119.554 . . 1 . . . . . 149 MET N . 51418 1 167 . 1 . 1 107 107 ALA H H 1 8.4158 . . 1 . . . . . 150 ALA H . 51418 1 168 . 1 . 1 107 107 ALA N N 15 122.3478 . . 1 . . . . . 150 ALA N . 51418 1 169 . 1 . 1 108 108 GLU H H 1 8.936 . . 1 . . . . . 151 GLU H . 51418 1 170 . 1 . 1 108 108 GLU N N 15 117.023 . . 1 . . . . . 151 GLU N . 51418 1 171 . 1 . 1 109 109 ALA H H 1 7.642 . . 1 . . . . . 152 ALA H . 51418 1 172 . 1 . 1 109 109 ALA N N 15 121.824 . . 1 . . . . . 152 ALA N . 51418 1 173 . 1 . 1 110 110 LEU H H 1 8.062 . . 1 . . . . . 153 LEU H . 51418 1 174 . 1 . 1 110 110 LEU N N 15 120.934 . . 1 . . . . . 153 LEU N . 51418 1 175 . 1 . 1 111 111 GLU H H 1 9.024 . . 1 . . . . . 154 GLU H . 51418 1 176 . 1 . 1 111 111 GLU N N 15 122.687 . . 1 . . . . . 154 GLU N . 51418 1 177 . 1 . 1 112 112 LYS H H 1 7.811 . . 1 . . . . . 155 LYS H . 51418 1 178 . 1 . 1 112 112 LYS N N 15 118.761 . . 1 . . . . . 155 LYS N . 51418 1 179 . 1 . 1 113 113 LEU H H 1 7.214 . . 1 . . . . . 156 LEU H . 51418 1 180 . 1 . 1 113 113 LEU N N 15 121.117 . . 1 . . . . . 156 LEU N . 51418 1 181 . 1 . 1 114 114 PHE H H 1 8.822 . . 1 . . . . . 157 PHE H . 51418 1 182 . 1 . 1 114 114 PHE N N 15 121.339 . . 1 . . . . . 157 PHE N . 51418 1 183 . 1 . 1 115 115 LEU H H 1 8.6726 . . 1 . . . . . 158 LEU H . 51418 1 184 . 1 . 1 115 115 LEU N N 15 118.552 . . 1 . . . . . 158 LEU N . 51418 1 185 . 1 . 1 116 116 GLN H H 1 7.652 . . 1 . . . . . 159 GLN H . 51418 1 186 . 1 . 1 116 116 GLN N N 15 118.733 . . 1 . . . . . 159 GLN N . 51418 1 187 . 1 . 1 117 117 LYS H H 1 8.1629 . . 1 . . . . . 160 LYS H . 51418 1 188 . 1 . 1 117 117 LYS N N 15 116.3312 . . 1 . . . . . 160 LYS N . 51418 1 189 . 1 . 1 118 118 ILE H H 1 8.572 . . 1 . . . . . 161 ILE H . 51418 1 190 . 1 . 1 118 118 ILE N N 15 118.654 . . 1 . . . . . 161 ILE N . 51418 1 191 . 1 . 1 119 119 ASN H H 1 7.415 . . 1 . . . . . 162 ASN H . 51418 1 192 . 1 . 1 119 119 ASN N N 15 121.183 . . 1 . . . . . 162 ASN N . 51418 1 193 . 1 . 1 120 120 GLU H H 1 7.047 . . 1 . . . . . 163 GLU H . 51418 1 194 . 1 . 1 120 120 GLU N N 15 116.059 . . 1 . . . . . 163 GLU N . 51418 1 195 . 1 . 1 121 121 LEU H H 1 6.855 . . 1 . . . . . 164 LEU H . 51418 1 196 . 1 . 1 121 121 LEU N N 15 120.793 . . 1 . . . . . 164 LEU N . 51418 1 197 . 1 . 1 132 132 GLN H H 1 8.486 . . 1 . . . . . 175 GLN H . 51418 1 198 . 1 . 1 132 132 GLN N N 15 125.164 . . 1 . . . . . 175 GLN N . 51418 1 199 . 1 . 1 133 133 ALA H H 1 8.388 . . 1 . . . . . 176 ALA H . 51418 1 200 . 1 . 1 133 133 ALA N N 15 126.27 . . 1 . . . . . 176 ALA N . 51418 1 201 . 1 . 1 134 134 LYS H H 1 8.322 . . 1 . . . . . 177 LYS H . 51418 1 202 . 1 . 1 134 134 LYS N N 15 121.208 . . 1 . . . . . 177 LYS N . 51418 1 203 . 1 . 1 135 135 GLY H H 1 8.3945 . . 1 . . . . . 178 GLY H . 51418 1 204 . 1 . 1 135 135 GLY N N 15 110.6422 . . 1 . . . . . 178 GLY N . 51418 1 205 . 1 . 1 136 136 ARG H H 1 8.1839 . . 1 . . . . . 179 ARG H . 51418 1 206 . 1 . 1 136 136 ARG N N 15 121.2514 . . 1 . . . . . 179 ARG N . 51418 1 207 . 1 . 1 137 137 GLY H H 1 8.111 . . 1 . . . . . 180 GLY H . 51418 1 208 . 1 . 1 137 137 GLY N N 15 116.607 . . 1 . . . . . 180 GLY N . 51418 1 209 . 1 . 1 139 139 GLY H H 1 8.448 . . 1 . . . . . 182 GLY H . 51418 1 210 . 1 . 1 139 139 GLY N N 15 110.991 . . 1 . . . . . 182 GLY N . 51418 1 211 . 1 . 1 140 140 ARG H H 1 7.7994 . . 1 . . . . . 183 ARG H . 51418 1 212 . 1 . 1 140 140 ARG N N 15 125.9598 . . 1 . . . . . 183 ARG N . 51418 1 213 . 1 . 1 144 144 GLY H H 1 8.446 . . 1 . . . . . 187 GLY H . 51418 1 214 . 1 . 1 144 144 GLY N N 15 111.675 . . 1 . . . . . 187 GLY N . 51418 1 215 . 1 . 1 145 145 THR H H 1 8.054 . . 1 . . . . . 188 THR H . 51418 1 216 . 1 . 1 145 145 THR N N 15 114.36 . . 1 . . . . . 188 THR N . 51418 1 217 . 1 . 1 146 146 ALA H H 1 8.296 . . 1 . . . . . 189 ALA H . 51418 1 218 . 1 . 1 146 146 ALA N N 15 127.275 . . 1 . . . . . 189 ALA N . 51418 1 219 . 1 . 1 147 147 LYS H H 1 8.293 . . 1 . . . . . 190 LYS H . 51418 1 220 . 1 . 1 147 147 LYS N N 15 122.781 . . 1 . . . . . 190 LYS N . 51418 1 221 . 1 . 1 149 149 GLY H H 1 8.44 . . 1 . . . . . 192 GLY H . 51418 1 222 . 1 . 1 149 149 GLY N N 15 109.923 . . 1 . . . . . 192 GLY N . 51418 1 223 . 1 . 1 150 150 VAL H H 1 7.922 . . 1 . . . . . 193 VAL H . 51418 1 224 . 1 . 1 150 150 VAL N N 15 119.742 . . 1 . . . . . 193 VAL N . 51418 1 225 . 1 . 1 151 151 SER H H 1 8.4448 . . 1 . . . . . 194 SER H . 51418 1 226 . 1 . 1 151 151 SER N N 15 119.923 . . 1 . . . . . 194 SER N . 51418 1 227 . 1 . 1 152 152 THR H H 1 8.206 . . 1 . . . . . 195 THR H . 51418 1 228 . 1 . 1 152 152 THR N N 15 117.101 . . 1 . . . . . 195 THR N . 51418 1 229 . 1 . 1 153 153 VAL H H 1 8.12 . . 1 . . . . . 196 VAL H . 51418 1 230 . 1 . 1 153 153 VAL N N 15 124.267 . . 1 . . . . . 196 VAL N . 51418 1 231 . 1 . 1 155 155 ASN H H 1 8.519 . . 1 . . . . . 198 ASN H . 51418 1 232 . 1 . 1 155 155 ASN N N 15 119.533 . . 1 . . . . . 198 ASN N . 51418 1 233 . 1 . 1 156 156 THR H H 1 8.121 . . 1 . . . . . 199 THR H . 51418 1 234 . 1 . 1 156 156 THR N N 15 114.389 . . 1 . . . . . 199 THR N . 51418 1 235 . 1 . 1 157 157 THR H H 1 8.18 . . 1 . . . . . 200 THR H . 51418 1 236 . 1 . 1 157 157 THR N N 15 116.862 . . 1 . . . . . 200 THR N . 51418 1 237 . 1 . 1 158 158 GLN H H 1 8.351 . . 1 . . . . . 201 GLN H . 51418 1 238 . 1 . 1 158 158 GLN N N 15 123.442 . . 1 . . . . . 201 GLN N . 51418 1 239 . 1 . 1 159 159 ALA H H 1 8.333 . . 1 . . . . . 202 ALA H . 51418 1 240 . 1 . 1 159 159 ALA N N 15 125.964 . . 1 . . . . . 202 ALA N . 51418 1 241 . 1 . 1 160 160 SER H H 1 8.274 . . 1 . . . . . 203 SER H . 51418 1 242 . 1 . 1 160 160 SER N N 15 115.734 . . 1 . . . . . 203 SER N . 51418 1 243 . 1 . 1 161 161 THR H H 1 8.128 . . 1 . . . . . 204 THR H . 51418 1 244 . 1 . 1 161 161 THR N N 15 118.836 . . 1 . . . . . 204 THR N . 51418 1 245 . 1 . 1 164 164 GLN H H 1 8.493 . . 1 . . . . . 207 GLN H . 51418 1 246 . 1 . 1 164 164 GLN N N 15 121.011 . . 1 . . . . . 207 GLN N . 51418 1 247 . 1 . 1 165 165 THR H H 1 8.1634 . . 1 . . . . . 208 THR H . 51418 1 248 . 1 . 1 165 165 THR N N 15 116.0367 . . 1 . . . . . 208 THR N . 51418 1 249 . 1 . 1 166 166 GLN H H 1 8.413 . . 1 . . . . . 209 GLN H . 51418 1 250 . 1 . 1 166 166 GLN N N 15 123.247 . . 1 . . . . . 209 GLN N . 51418 1 251 . 1 . 1 167 167 THR H H 1 8.272 . . 1 . . . . . 210 THR H . 51418 1 252 . 1 . 1 167 167 THR N N 15 119.172 . . 1 . . . . . 210 THR N . 51418 1 253 . 1 . 1 175 175 VAL H H 1 8.1248 . . 1 . . . . . 218 VAL H . 51418 1 254 . 1 . 1 175 175 VAL N N 15 120.8326 . . 1 . . . . . 218 VAL N . 51418 1 255 . 1 . 1 176 176 GLN H H 1 8.399 . . 1 . . . . . 219 GLN H . 51418 1 256 . 1 . 1 176 176 GLN N N 15 124.83 . . 1 . . . . . 219 GLN N . 51418 1 257 . 1 . 1 177 177 ALA H H 1 8.373 . . 1 . . . . . 220 ALA H . 51418 1 258 . 1 . 1 177 177 ALA N N 15 126.625 . . 1 . . . . . 220 ALA N . 51418 1 259 . 1 . 1 178 178 THR H H 1 8.149 . . 1 . . . . . 221 THR H . 51418 1 260 . 1 . 1 178 178 THR N N 15 116.861 . . 1 . . . . . 221 THR N . 51418 1 261 . 1 . 1 184 184 ALA H H 1 8.252 . . 1 . . . . . 227 ALA H . 51418 1 262 . 1 . 1 184 184 ALA N N 15 124.812 . . 1 . . . . . 227 ALA N . 51418 1 263 . 1 . 1 185 185 VAL H H 1 8.095 . . 1 . . . . . 228 VAL H . 51418 1 264 . 1 . 1 185 185 VAL N N 15 119.892 . . 1 . . . . . 228 VAL N . 51418 1 265 . 1 . 1 186 186 THR H H 1 8.152 . . 1 . . . . . 229 THR H . 51418 1 266 . 1 . 1 186 186 THR N N 15 120.518 . . 1 . . . . . 229 THR N . 51418 1 267 . 1 . 1 188 188 ASP H H 1 8.308 . . 1 . . . . . 231 ASP H . 51418 1 268 . 1 . 1 188 188 ASP N N 15 119.769 . . 1 . . . . . 231 ASP N . 51418 1 269 . 1 . 1 189 189 LEU H H 1 7.984 . . 1 . . . . . 232 LEU H . 51418 1 270 . 1 . 1 189 189 LEU N N 15 122.327 . . 1 . . . . . 232 LEU N . 51418 1 271 . 1 . 1 190 190 ILE H H 1 8.03 . . 1 . . . . . 233 ILE H . 51418 1 272 . 1 . 1 190 190 ILE N N 15 122.983 . . 1 . . . . . 233 ILE N . 51418 1 273 . 1 . 1 191 191 VAL H H 1 8.155 . . 1 . . . . . 234 VAL H . 51418 1 274 . 1 . 1 191 191 VAL N N 15 125.368 . . 1 . . . . . 234 VAL N . 51418 1 275 . 1 . 1 192 192 GLN H H 1 8.429 . . 1 . . . . . 235 GLN H . 51418 1 276 . 1 . 1 192 192 GLN N N 15 125.05 . . 1 . . . . . 235 GLN N . 51418 1 277 . 1 . 1 193 193 THR H H 1 8.1964 . . 1 . . . . . 236 THR H . 51418 1 278 . 1 . 1 193 193 THR N N 15 119.191 . . 1 . . . . . 236 THR N . 51418 1 279 . 1 . 1 195 195 VAL H H 1 8.174 . . 1 . . . . . 238 VAL H . 51418 1 280 . 1 . 1 195 195 VAL N N 15 121.07 . . 1 . . . . . 238 VAL N . 51418 1 281 . 1 . 1 196 196 MET H H 1 8.4007 . . 1 . . . . . 239 MET H . 51418 1 282 . 1 . 1 196 196 MET N N 15 124.8886 . . 1 . . . . . 239 MET N . 51418 1 283 . 1 . 1 197 197 THR H H 1 8.173 . . 1 . . . . . 240 THR H . 51418 1 284 . 1 . 1 197 197 THR N N 15 117.561 . . 1 . . . . . 240 THR N . 51418 1 285 . 1 . 1 198 198 VAL H H 1 8.169 . . 1 . . . . . 241 VAL H . 51418 1 286 . 1 . 1 198 198 VAL N N 15 123.993 . . 1 . . . . . 241 VAL N . 51418 1 287 . 1 . 1 199 199 VAL H H 1 8.265 . . 1 . . . . . 242 VAL H . 51418 1 288 . 1 . 1 199 199 VAL N N 15 127.16 . . 1 . . . . . 242 VAL N . 51418 1 289 . 1 . 1 204 204 LEU H H 1 8.294 . . 1 . . . . . 247 LEU H . 51418 1 290 . 1 . 1 204 204 LEU N N 15 122.689 . . 1 . . . . . 247 LEU N . 51418 1 291 . 1 . 1 205 205 GLN H H 1 8.342 . . 1 . . . . . 248 GLN H . 51418 1 292 . 1 . 1 205 205 GLN N N 15 121.723 . . 1 . . . . . 248 GLN N . 51418 1 293 . 1 . 1 206 206 THR H H 1 8.188 . . 1 . . . . . 249 THR H . 51418 1 294 . 1 . 1 206 206 THR N N 15 118.924 . . 1 . . . . . 249 THR N . 51418 1 295 . 1 . 1 231 231 ILE H H 1 8.206 . . 1 . . . . . 274 ILE H . 51418 1 296 . 1 . 1 231 231 ILE N N 15 121.813 . . 1 . . . . . 274 ILE N . 51418 1 297 . 1 . 1 232 232 ILE H H 1 8.199 . . 1 . . . . . 275 ILE H . 51418 1 298 . 1 . 1 232 232 ILE N N 15 126.462 . . 1 . . . . . 275 ILE N . 51418 1 299 . 1 . 1 233 233 ALA H H 1 8.328 . . 1 . . . . . 276 ALA H . 51418 1 300 . 1 . 1 233 233 ALA N N 15 129.345 . . 1 . . . . . 276 ALA N . 51418 1 301 . 1 . 1 235 235 THR H H 1 7.8677 . . 1 . . . . . 278 THR H . 51418 1 302 . 1 . 1 235 235 THR N N 15 113.4697 . . 1 . . . . . 278 THR N . 51418 1 303 . 1 . 1 250 250 ASP H H 1 8.296 . . 1 . . . . . 293 ASP H . 51418 1 304 . 1 . 1 250 250 ASP N N 15 120.38 . . 1 . . . . . 293 ASP N . 51418 1 305 . 1 . 1 251 251 THR H H 1 8.242 . . 1 . . . . . 294 THR H . 51418 1 306 . 1 . 1 251 251 THR N N 15 116.79 . . 1 . . . . . 294 THR N . 51418 1 307 . 1 . 1 252 252 THR H H 1 8.205 . . 1 . . . . . 295 THR H . 51418 1 308 . 1 . 1 252 252 THR N N 15 119.954 . . 1 . . . . . 295 THR N . 51418 1 309 . 1 . 1 253 253 THR H H 1 8.2797 . . 1 . . . . . 296 THR H . 51418 1 310 . 1 . 1 253 253 THR N N 15 117.2939 . . 1 . . . . . 296 THR N . 51418 1 311 . 1 . 1 255 255 THR H H 1 8.278 . . 1 . . . . . 298 THR H . 51418 1 312 . 1 . 1 255 255 THR N N 15 115.239 . . 1 . . . . . 298 THR N . 51418 1 313 . 1 . 1 256 256 THR H H 1 8.103 . . 1 . . . . . 299 THR H . 51418 1 314 . 1 . 1 256 256 THR N N 15 117.49 . . 1 . . . . . 299 THR N . 51418 1 315 . 1 . 1 257 257 ILE H H 1 8.145 . . 1 . . . . . 300 ILE H . 51418 1 316 . 1 . 1 257 257 ILE N N 15 123.674 . . 1 . . . . . 300 ILE N . 51418 1 317 . 1 . 1 258 258 ASP H H 1 8.36 . . 1 . . . . . 301 ASP H . 51418 1 318 . 1 . 1 258 258 ASP N N 15 126.649 . . 1 . . . . . 301 ASP N . 51418 1 319 . 1 . 1 260 260 ILE H H 1 8.081 . . 1 . . . . . 303 ILE H . 51418 1 320 . 1 . 1 260 260 ILE N N 15 120.247 . . 1 . . . . . 303 ILE N . 51418 1 321 . 1 . 1 261 261 HIS H H 1 8.214 . . 1 . . . . . 304 HIS H . 51418 1 322 . 1 . 1 261 261 HIS N N 15 122.672 . . 1 . . . . . 304 HIS N . 51418 1 323 . 1 . 1 262 262 GLU H H 1 8.268 . . 1 . . . . . 305 GLU H . 51418 1 324 . 1 . 1 262 262 GLU N N 15 124.187 . . 1 . . . . . 305 GLU N . 51418 1 325 . 1 . 1 265 265 SER H H 1 8.316 . . 1 . . . . . 308 SER H . 51418 1 326 . 1 . 1 265 265 SER N N 15 116.656 . . 1 . . . . . 308 SER N . 51418 1 327 . 1 . 1 266 266 LEU H H 1 8.23 . . 1 . . . . . 309 LEU H . 51418 1 328 . 1 . 1 266 266 LEU N N 15 125.845 . . 1 . . . . . 309 LEU N . 51418 1 329 . 1 . 1 272 272 THR H H 1 8.1454 . . 1 . . . . . 315 THR H . 51418 1 330 . 1 . 1 272 272 THR N N 15 115.869 . . 1 . . . . . 315 THR N . 51418 1 331 . 1 . 1 273 273 THR H H 1 8.151 . . 1 . . . . . 316 THR H . 51418 1 332 . 1 . 1 273 273 THR N N 15 117.085 . . 1 . . . . . 316 THR N . 51418 1 333 . 1 . 1 274 274 LYS H H 1 8.3159 . . 1 . . . . . 317 LYS H . 51418 1 334 . 1 . 1 274 274 LYS N N 15 124.8502 . . 1 . . . . . 317 LYS N . 51418 1 335 . 1 . 1 275 275 LEU H H 1 8.344 . . 1 . . . . . 318 LEU H . 51418 1 336 . 1 . 1 275 275 LEU N N 15 125.553 . . 1 . . . . . 318 LEU N . 51418 1 337 . 1 . 1 276 276 GLY H H 1 7.899 . . 1 . . . . . 319 GLY H . 51418 1 338 . 1 . 1 276 276 GLY N N 15 116.473 . . 1 . . . . . 319 GLY N . 51418 1 339 . 1 . 1 285 285 VAL H H 1 8.222 . . 1 . . . . . 328 VAL H . 51418 1 340 . 1 . 1 285 285 VAL N N 15 121.297 . . 1 . . . . . 328 VAL N . 51418 1 341 . 1 . 1 286 286 LYS H H 1 7.873 . . 1 . . . . . 329 LYS H . 51418 1 342 . 1 . 1 286 286 LYS N N 15 130.1383 . . 1 . . . . . 329 LYS N . 51418 1 343 . 1 . 1 289 289 LYS H H 1 8.296 . . 1 . . . . . 332 LYS H . 51418 1 344 . 1 . 1 289 289 LYS N N 15 122.192 . . 1 . . . . . 332 LYS N . 51418 1 345 . 1 . 1 290 290 LYS H H 1 8.35 . . 1 . . . . . 333 LYS H . 51418 1 346 . 1 . 1 290 290 LYS N N 15 123.839 . . 1 . . . . . 333 LYS N . 51418 1 347 . 1 . 1 291 291 ASP H H 1 8.406 . . 1 . . . . . 334 ASP H . 51418 1 348 . 1 . 1 291 291 ASP N N 15 122.635 . . 1 . . . . . 334 ASP N . 51418 1 349 . 1 . 1 292 292 VAL H H 1 7.974 . . 1 . . . . . 335 VAL H . 51418 1 350 . 1 . 1 292 292 VAL N N 15 121.151 . . 1 . . . . . 335 VAL N . 51418 1 351 . 1 . 1 294 294 ASP H H 1 8.421 . . 1 . . . . . 337 ASP H . 51418 1 352 . 1 . 1 294 294 ASP N N 15 121.216 . . 1 . . . . . 337 ASP N . 51418 1 353 . 1 . 1 295 295 SER H H 1 8.243 . . 1 . . . . . 338 SER H . 51418 1 354 . 1 . 1 295 295 SER N N 15 116.308 . . 1 . . . . . 338 SER N . 51418 1 355 . 1 . 1 296 296 GLN H H 1 8.311 . . 1 . . . . . 339 GLN H . 51418 1 356 . 1 . 1 296 296 GLN N N 15 121.829 . . 1 . . . . . 339 GLN N . 51418 1 357 . 1 . 1 297 297 GLN H H 1 8.146 . . 1 . . . . . 340 GLN H . 51418 1 358 . 1 . 1 297 297 GLN N N 15 120.778 . . 1 . . . . . 340 GLN N . 51418 1 359 . 1 . 1 300 300 ALA H H 1 8.49 . . 1 . . . . . 343 ALA H . 51418 1 360 . 1 . 1 300 300 ALA N N 15 126.311 . . 1 . . . . . 343 ALA N . 51418 1 361 . 1 . 1 302 302 GLU H H 1 8.582 . . 1 . . . . . 345 GLU H . 51418 1 362 . 1 . 1 302 302 GLU N N 15 121.58 . . 1 . . . . . 345 GLU N . 51418 1 363 . 1 . 1 303 303 LYS H H 1 8.387 . . 1 . . . . . 346 LYS H . 51418 1 364 . 1 . 1 303 303 LYS N N 15 122.945 . . 1 . . . . . 346 LYS N . 51418 1 365 . 1 . 1 304 304 SER H H 1 8.347 . . 1 . . . . . 347 SER H . 51418 1 366 . 1 . 1 304 304 SER N N 15 117.168 . . 1 . . . . . 347 SER N . 51418 1 367 . 1 . 1 307 307 VAL H H 1 8.048 . . 1 . . . . . 350 VAL H . 51418 1 368 . 1 . 1 307 307 VAL N N 15 120.585 . . 1 . . . . . 350 VAL N . 51418 1 369 . 1 . 1 308 308 SER H H 1 8.133 . . 1 . . . . . 351 SER H . 51418 1 370 . 1 . 1 308 308 SER N N 15 117.865 . . 1 . . . . . 351 SER N . 51418 1 371 . 1 . 1 309 309 GLU H H 1 8.664 . . 1 . . . . . 352 GLU H . 51418 1 372 . 1 . 1 309 309 GLU N N 15 123.346 . . 1 . . . . . 352 GLU N . 51418 1 373 . 1 . 1 310 310 GLN H H 1 8.658 . . 1 . . . . . 353 GLN H . 51418 1 374 . 1 . 1 310 310 GLN N N 15 120.214 . . 1 . . . . . 353 GLN N . 51418 1 375 . 1 . 1 311 311 LEU H H 1 8.4257 . . 1 . . . . . 354 LEU H . 51418 1 376 . 1 . 1 311 311 LEU N N 15 121.645 . . 1 . . . . . 354 LEU N . 51418 1 377 . 1 . 1 312 312 LYS H H 1 8.079 . . 1 . . . . . 355 LYS H . 51418 1 378 . 1 . 1 312 312 LYS N N 15 123.527 . . 1 . . . . . 355 LYS N . 51418 1 379 . 1 . 1 313 313 CYS H H 1 8.009 . . 1 . . . . . 356 CYS H . 51418 1 380 . 1 . 1 313 313 CYS N N 15 121.362 . . 1 . . . . . 356 CYS N . 51418 1 381 . 1 . 1 314 314 CYS H H 1 8.1429 . . 1 . . . . . 357 CYS H . 51418 1 382 . 1 . 1 314 314 CYS N N 15 119.4679 . . 1 . . . . . 357 CYS N . 51418 1 383 . 1 . 1 315 315 SER H H 1 7.806 . . 1 . . . . . 358 SER H . 51418 1 384 . 1 . 1 315 315 SER N N 15 114.738 . . 1 . . . . . 358 SER N . 51418 1 385 . 1 . 1 316 316 GLY H H 1 7.793 . . 1 . . . . . 359 GLY H . 51418 1 386 . 1 . 1 316 316 GLY N N 15 109.238 . . 1 . . . . . 359 GLY N . 51418 1 387 . 1 . 1 317 317 ILE H H 1 8.2425 . . 1 . . . . . 360 ILE H . 51418 1 388 . 1 . 1 317 317 ILE N N 15 125.4132 . . 1 . . . . . 360 ILE N . 51418 1 389 . 1 . 1 318 318 LEU H H 1 8.2845 . . 1 . . . . . 361 LEU H . 51418 1 390 . 1 . 1 318 318 LEU N N 15 121.6077 . . 1 . . . . . 361 LEU N . 51418 1 391 . 1 . 1 319 319 LYS H H 1 8.3132 . . 1 . . . . . 362 LYS H . 51418 1 392 . 1 . 1 319 319 LYS N N 15 118.2035 . . 1 . . . . . 362 LYS N . 51418 1 393 . 1 . 1 320 320 GLU H H 1 7.884 . . 1 . . . . . 363 GLU H . 51418 1 394 . 1 . 1 320 320 GLU N N 15 120.63 . . 1 . . . . . 363 GLU N . 51418 1 395 . 1 . 1 321 321 MET H H 1 8.277 . . 1 . . . . . 364 MET H . 51418 1 396 . 1 . 1 321 321 MET N N 15 118.51 . . 1 . . . . . 364 MET N . 51418 1 397 . 1 . 1 322 322 PHE H H 1 7.799 . . 1 . . . . . 365 PHE H . 51418 1 398 . 1 . 1 322 322 PHE N N 15 117.261 . . 1 . . . . . 365 PHE N . 51418 1 399 . 1 . 1 323 323 ALA H H 1 8.036 . . 1 . . . . . 366 ALA H . 51418 1 400 . 1 . 1 323 323 ALA N N 15 124.112 . . 1 . . . . . 366 ALA N . 51418 1 401 . 1 . 1 324 324 LYS H H 1 8.983 . . 1 . . . . . 367 LYS H . 51418 1 402 . 1 . 1 324 324 LYS N N 15 124.948 . . 1 . . . . . 367 LYS N . 51418 1 403 . 1 . 1 325 325 LYS H H 1 8.2286 . . 1 . . . . . 368 LYS H . 51418 1 404 . 1 . 1 325 325 LYS N N 15 117.0221 . . 1 . . . . . 368 LYS N . 51418 1 405 . 1 . 1 326 326 HIS H H 1 7.037 . . 1 . . . . . 369 HIS H . 51418 1 406 . 1 . 1 326 326 HIS N N 15 116.144 . . 1 . . . . . 369 HIS N . 51418 1 407 . 1 . 1 327 327 ALA H H 1 7.616 . . 1 . . . . . 370 ALA H . 51418 1 408 . 1 . 1 327 327 ALA N N 15 122.674 . . 1 . . . . . 370 ALA N . 51418 1 409 . 1 . 1 328 328 ALA H H 1 8.472 . . 1 . . . . . 371 ALA H . 51418 1 410 . 1 . 1 328 328 ALA N N 15 117.212 . . 1 . . . . . 371 ALA N . 51418 1 411 . 1 . 1 329 329 TYR H H 1 6.9803 . . 1 . . . . . 372 TYR H . 51418 1 412 . 1 . 1 329 329 TYR N N 15 111.0476 . . 1 . . . . . 372 TYR N . 51418 1 413 . 1 . 1 330 330 ALA H H 1 7.9154 . . 1 . . . . . 373 ALA H . 51418 1 414 . 1 . 1 330 330 ALA N N 15 119.8411 . . 1 . . . . . 373 ALA N . 51418 1 415 . 1 . 1 331 331 TRP H H 1 6.851 . . 1 . . . . . 374 TRP H . 51418 1 416 . 1 . 1 331 331 TRP N N 15 115.075 . . 1 . . . . . 374 TRP N . 51418 1 417 . 1 . 1 333 333 PHE H H 1 7.6354 . . 1 . . . . . 376 PHE H . 51418 1 418 . 1 . 1 333 333 PHE N N 15 114.1791 . . 1 . . . . . 376 PHE N . 51418 1 419 . 1 . 1 334 334 TYR H H 1 7.288 . . 1 . . . . . 377 TYR H . 51418 1 420 . 1 . 1 334 334 TYR N N 15 118.057 . . 1 . . . . . 377 TYR N . 51418 1 421 . 1 . 1 335 335 LYS H H 1 7.788 . . 1 . . . . . 378 LYS H . 51418 1 422 . 1 . 1 335 335 LYS N N 15 115.696 . . 1 . . . . . 378 LYS N . 51418 1 423 . 1 . 1 337 337 VAL H H 1 8.377 . . 1 . . . . . 380 VAL H . 51418 1 424 . 1 . 1 337 337 VAL N N 15 125.374 . . 1 . . . . . 380 VAL N . 51418 1 425 . 1 . 1 338 338 ASP H H 1 8.378 . . 1 . . . . . 381 ASP H . 51418 1 426 . 1 . 1 338 338 ASP N N 15 129.021 . . 1 . . . . . 381 ASP N . 51418 1 427 . 1 . 1 339 339 VAL H H 1 7.624 . . 1 . . . . . 382 VAL H . 51418 1 428 . 1 . 1 339 339 VAL N N 15 119.939 . . 1 . . . . . 382 VAL N . 51418 1 429 . 1 . 1 340 340 GLU H H 1 8.1882 . . 1 . . . . . 383 GLU H . 51418 1 430 . 1 . 1 340 340 GLU N N 15 119.7991 . . 1 . . . . . 383 GLU N . 51418 1 431 . 1 . 1 341 341 ALA H H 1 7.735 . . 1 . . . . . 384 ALA H . 51418 1 432 . 1 . 1 341 341 ALA N N 15 123.51 . . 1 . . . . . 384 ALA N . 51418 1 433 . 1 . 1 342 342 LEU H H 1 7.8303 . . 1 . . . . . 385 LEU H . 51418 1 434 . 1 . 1 342 342 LEU N N 15 116.5814 . . 1 . . . . . 385 LEU N . 51418 1 435 . 1 . 1 343 343 GLY H H 1 7.844 . . 1 . . . . . 386 GLY H . 51418 1 436 . 1 . 1 343 343 GLY N N 15 110.008 . . 1 . . . . . 386 GLY N . 51418 1 437 . 1 . 1 344 344 LEU H H 1 7.786 . . 1 . . . . . 387 LEU H . 51418 1 438 . 1 . 1 344 344 LEU N N 15 120.134 . . 1 . . . . . 387 LEU N . 51418 1 439 . 1 . 1 346 346 ASP H H 1 8.487 . . 1 . . . . . 389 ASP H . 51418 1 440 . 1 . 1 346 346 ASP N N 15 117.2283 . . 1 . . . . . 389 ASP N . 51418 1 441 . 1 . 1 347 347 TYR H H 1 7.702 . . 1 . . . . . 390 TYR H . 51418 1 442 . 1 . 1 347 347 TYR N N 15 123.772 . . 1 . . . . . 390 TYR N . 51418 1 443 . 1 . 1 348 348 CYS H H 1 8.407 . . 1 . . . . . 391 CYS H . 51418 1 444 . 1 . 1 348 348 CYS N N 15 113.43 . . 1 . . . . . 391 CYS N . 51418 1 445 . 1 . 1 349 349 ASP H H 1 7.409 . . 1 . . . . . 392 ASP H . 51418 1 446 . 1 . 1 349 349 ASP N N 15 118.891 . . 1 . . . . . 392 ASP N . 51418 1 447 . 1 . 1 350 350 ILE H H 1 7.164 . . 1 . . . . . 393 ILE H . 51418 1 448 . 1 . 1 350 350 ILE N N 15 119.195 . . 1 . . . . . 393 ILE N . 51418 1 449 . 1 . 1 351 351 ILE H H 1 8.549 . . 1 . . . . . 394 ILE H . 51418 1 450 . 1 . 1 351 351 ILE N N 15 122.407 . . 1 . . . . . 394 ILE N . 51418 1 451 . 1 . 1 352 352 LYS H H 1 7.7432 . . 1 . . . . . 395 LYS H . 51418 1 452 . 1 . 1 352 352 LYS N N 15 123.7411 . . 1 . . . . . 395 LYS N . 51418 1 453 . 1 . 1 353 353 HIS H H 1 8.2811 . . 1 . . . . . 396 HIS H . 51418 1 454 . 1 . 1 353 353 HIS N N 15 116.7051 . . 1 . . . . . 396 HIS N . 51418 1 455 . 1 . 1 355 355 MET H H 1 8.2113 . . 1 . . . . . 398 MET H . 51418 1 456 . 1 . 1 355 355 MET N N 15 119.1669 . . 1 . . . . . 398 MET N . 51418 1 457 . 1 . 1 356 356 ASP H H 1 7.19 . . 1 . . . . . 399 ASP H . 51418 1 458 . 1 . 1 356 356 ASP N N 15 119.952 . . 1 . . . . . 399 ASP N . 51418 1 459 . 1 . 1 357 357 MET H H 1 8.956 . . 1 . . . . . 400 MET H . 51418 1 460 . 1 . 1 357 357 MET N N 15 118.105 . . 1 . . . . . 400 MET N . 51418 1 461 . 1 . 1 358 358 SER H H 1 8.789 . . 1 . . . . . 401 SER H . 51418 1 462 . 1 . 1 358 358 SER N N 15 119.798 . . 1 . . . . . 401 SER N . 51418 1 463 . 1 . 1 360 360 ILE H H 1 7.641 . . 1 . . . . . 403 ILE H . 51418 1 464 . 1 . 1 360 360 ILE N N 15 123.518 . . 1 . . . . . 403 ILE N . 51418 1 465 . 1 . 1 361 361 LYS H H 1 8.445 . . 1 . . . . . 404 LYS H . 51418 1 466 . 1 . 1 361 361 LYS N N 15 120.852 . . 1 . . . . . 404 LYS N . 51418 1 467 . 1 . 1 362 362 SER H H 1 8.185 . . 1 . . . . . 405 SER H . 51418 1 468 . 1 . 1 362 362 SER N N 15 115.016 . . 1 . . . . . 405 SER N . 51418 1 469 . 1 . 1 363 363 LYS H H 1 8.336 . . 1 . . . . . 406 LYS H . 51418 1 470 . 1 . 1 363 363 LYS N N 15 124.166 . . 1 . . . . . 406 LYS N . 51418 1 471 . 1 . 1 364 364 LEU H H 1 8.721 . . 1 . . . . . 407 LEU H . 51418 1 472 . 1 . 1 364 364 LEU N N 15 121.58 . . 1 . . . . . 407 LEU N . 51418 1 473 . 1 . 1 365 365 GLU H H 1 8.641 . . 1 . . . . . 408 GLU H . 51418 1 474 . 1 . 1 365 365 GLU N N 15 121.361 . . 1 . . . . . 408 GLU N . 51418 1 475 . 1 . 1 366 366 ALA H H 1 7.8139 . . 1 . . . . . 409 ALA H . 51418 1 476 . 1 . 1 366 366 ALA N N 15 120.0333 . . 1 . . . . . 409 ALA N . 51418 1 477 . 1 . 1 367 367 ARG H H 1 7.848 . . 1 . . . . . 410 ARG H . 51418 1 478 . 1 . 1 367 367 ARG N N 15 115.135 . . 1 . . . . . 410 ARG N . 51418 1 479 . 1 . 1 368 368 GLU H H 1 8.4101 . . 1 . . . . . 411 GLU H . 51418 1 480 . 1 . 1 368 368 GLU N N 15 115.7546 . . 1 . . . . . 411 GLU N . 51418 1 481 . 1 . 1 369 369 TYR H H 1 7.28 . . 1 . . . . . 412 TYR H . 51418 1 482 . 1 . 1 369 369 TYR N N 15 116.222 . . 1 . . . . . 412 TYR N . 51418 1 483 . 1 . 1 370 370 ARG H H 1 9.584 . . 1 . . . . . 413 ARG H . 51418 1 484 . 1 . 1 370 370 ARG N N 15 123.873 . . 1 . . . . . 413 ARG N . 51418 1 485 . 1 . 1 371 371 ASP H H 1 7.475 . . 1 . . . . . 414 ASP H . 51418 1 486 . 1 . 1 371 371 ASP N N 15 111.177 . . 1 . . . . . 414 ASP N . 51418 1 487 . 1 . 1 372 372 ALA H H 1 9.016 . . 1 . . . . . 415 ALA H . 51418 1 488 . 1 . 1 372 372 ALA N N 15 119.289 . . 1 . . . . . 415 ALA N . 51418 1 489 . 1 . 1 373 373 GLN H H 1 8.463 . . 1 . . . . . 416 GLN H . 51418 1 490 . 1 . 1 373 373 GLN N N 15 118.641 . . 1 . . . . . 416 GLN N . 51418 1 491 . 1 . 1 374 374 GLU H H 1 8.335 . . 1 . . . . . 417 GLU H . 51418 1 492 . 1 . 1 374 374 GLU N N 15 122.467 . . 1 . . . . . 417 GLU N . 51418 1 493 . 1 . 1 375 375 PHE H H 1 6.791 . . 1 . . . . . 418 PHE H . 51418 1 494 . 1 . 1 375 375 PHE N N 15 121.106 . . 1 . . . . . 418 PHE N . 51418 1 495 . 1 . 1 376 376 GLY H H 1 8.824 . . 1 . . . . . 419 GLY H . 51418 1 496 . 1 . 1 376 376 GLY N N 15 106.887 . . 1 . . . . . 419 GLY N . 51418 1 497 . 1 . 1 377 377 ALA H H 1 7.957 . . 1 . . . . . 420 ALA H . 51418 1 498 . 1 . 1 377 377 ALA N N 15 121.919 . . 1 . . . . . 420 ALA N . 51418 1 499 . 1 . 1 378 378 ASP H H 1 7.113 . . 1 . . . . . 421 ASP H . 51418 1 500 . 1 . 1 378 378 ASP N N 15 121.001 . . 1 . . . . . 421 ASP N . 51418 1 501 . 1 . 1 379 379 VAL H H 1 7.22 . . 1 . . . . . 422 VAL H . 51418 1 502 . 1 . 1 379 379 VAL N N 15 120.358 . . 1 . . . . . 422 VAL N . 51418 1 503 . 1 . 1 380 380 ARG H H 1 7.991 . . 1 . . . . . 423 ARG H . 51418 1 504 . 1 . 1 380 380 ARG N N 15 115.548 . . 1 . . . . . 423 ARG N . 51418 1 505 . 1 . 1 381 381 LEU H H 1 7.857 . . 1 . . . . . 424 LEU H . 51418 1 506 . 1 . 1 381 381 LEU N N 15 123.958 . . 1 . . . . . 424 LEU N . 51418 1 507 . 1 . 1 382 382 MET H H 1 7.209 . . 1 . . . . . 425 MET H . 51418 1 508 . 1 . 1 382 382 MET N N 15 118.049 . . 1 . . . . . 425 MET N . 51418 1 509 . 1 . 1 383 383 PHE H H 1 6.911 . . 1 . . . . . 426 PHE H . 51418 1 510 . 1 . 1 383 383 PHE N N 15 117.455 . . 1 . . . . . 426 PHE N . 51418 1 511 . 1 . 1 385 385 ASN H H 1 8.7789 . . 1 . . . . . 428 ASN H . 51418 1 512 . 1 . 1 385 385 ASN N N 15 119.3172 . . 1 . . . . . 428 ASN N . 51418 1 513 . 1 . 1 386 386 CYS H H 1 6.978 . . 1 . . . . . 429 CYS H . 51418 1 514 . 1 . 1 386 386 CYS N N 15 120.752 . . 1 . . . . . 429 CYS N . 51418 1 515 . 1 . 1 390 390 ASN H H 1 7.4547 . . 1 . . . . . 433 ASN H . 51418 1 516 . 1 . 1 390 390 ASN N N 15 114.0158 . . 1 . . . . . 433 ASN N . 51418 1 517 . 1 . 1 393 393 ASP H H 1 8.205 . . 1 . . . . . 436 ASP H . 51418 1 518 . 1 . 1 393 393 ASP N N 15 114.209 . . 1 . . . . . 436 ASP N . 51418 1 519 . 1 . 1 394 394 HIS H H 1 7.915 . . 1 . . . . . 437 HIS H . 51418 1 520 . 1 . 1 394 394 HIS N N 15 122.885 . . 1 . . . . . 437 HIS N . 51418 1 521 . 1 . 1 395 395 GLU H H 1 9.045 . . 1 . . . . . 438 GLU H . 51418 1 522 . 1 . 1 395 395 GLU N N 15 131.27 . . 1 . . . . . 438 GLU N . 51418 1 523 . 1 . 1 396 396 VAL H H 1 11.426 . . 1 . . . . . 439 VAL H . 51418 1 524 . 1 . 1 396 396 VAL N N 15 124.084 . . 1 . . . . . 439 VAL N . 51418 1 525 . 1 . 1 397 397 VAL H H 1 7.371 . . 1 . . . . . 440 VAL H . 51418 1 526 . 1 . 1 397 397 VAL N N 15 122.666 . . 1 . . . . . 440 VAL N . 51418 1 527 . 1 . 1 398 398 ALA H H 1 7.075 . . 1 . . . . . 441 ALA H . 51418 1 528 . 1 . 1 398 398 ALA N N 15 121.907 . . 1 . . . . . 441 ALA N . 51418 1 529 . 1 . 1 399 399 MET H H 1 7.863 . . 1 . . . . . 442 MET H . 51418 1 530 . 1 . 1 399 399 MET N N 15 119.198 . . 1 . . . . . 442 MET N . 51418 1 531 . 1 . 1 400 400 ALA H H 1 8.618 . . 1 . . . . . 443 ALA H . 51418 1 532 . 1 . 1 400 400 ALA N N 15 121.6793 . . 1 . . . . . 443 ALA N . 51418 1 533 . 1 . 1 402 402 LYS H H 1 7.303 . . 1 . . . . . 445 LYS H . 51418 1 534 . 1 . 1 402 402 LYS N N 15 118.832 . . 1 . . . . . 445 LYS N . 51418 1 535 . 1 . 1 403 403 LEU H H 1 8.2664 . . 1 . . . . . 446 LEU H . 51418 1 536 . 1 . 1 403 403 LEU N N 15 120.8986 . . 1 . . . . . 446 LEU N . 51418 1 537 . 1 . 1 404 404 GLN H H 1 9.1629 . . 1 . . . . . 447 GLN H . 51418 1 538 . 1 . 1 404 404 GLN N N 15 122.4614 . . 1 . . . . . 447 GLN N . 51418 1 539 . 1 . 1 407 407 PHE H H 1 8.09 . . 1 . . . . . 450 PHE H . 51418 1 540 . 1 . 1 407 407 PHE N N 15 118.48 . . 1 . . . . . 450 PHE N . 51418 1 541 . 1 . 1 408 408 GLU H H 1 9.5936 . . 1 . . . . . 451 GLU H . 51418 1 542 . 1 . 1 408 408 GLU N N 15 118.111 . . 1 . . . . . 451 GLU N . 51418 1 543 . 1 . 1 410 410 ARG H H 1 7.3278 . . 1 . . . . . 453 ARG H . 51418 1 544 . 1 . 1 410 410 ARG N N 15 116.2098 . . 1 . . . . . 453 ARG N . 51418 1 545 . 1 . 1 411 411 PHE H H 1 9.2233 . . 1 . . . . . 454 PHE H . 51418 1 546 . 1 . 1 411 411 PHE N N 15 122.788 . . 1 . . . . . 454 PHE N . 51418 1 547 . 1 . 1 412 412 ALA H H 1 7.437 . . 1 . . . . . 455 ALA H . 51418 1 548 . 1 . 1 412 412 ALA N N 15 117.63 . . 1 . . . . . 455 ALA N . 51418 1 549 . 1 . 1 416 416 ASP H H 1 8.391 . . 1 . . . . . 459 ASP H . 51418 1 550 . 1 . 1 416 416 ASP N N 15 121.541 . . 1 . . . . . 459 ASP N . 51418 1 551 . 1 . 1 417 417 GLU H H 1 7.819 . . 1 . . . . . 460 GLU H . 51418 1 552 . 1 . 1 417 417 GLU N N 15 124.857 . . 1 . . . . . 460 GLU N . 51418 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 51418 _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' . . . 51418 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 . . 51418 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 -0.3658 0.011888 . . . 49 GLU N . 49 GLU H 51418 1 2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5135 0.033378 . . . 55 LYS N . 55 LYS H 51418 1 3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 -0.2027 0.04996 . . . 57 LYS N . 57 LYS H 51418 1 4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 -0.4148 0.070255 . . . 58 ARG N . 58 ARG H 51418 1 5 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 -0.4516 0.1025 . . . 60 THR N . 60 THR H 51418 1 6 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8551 0.06171 . . . 63 LEU N . 63 LEU H 51418 1 7 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.9322 0.035085 . . . 64 GLN N . 64 GLN H 51418 1 8 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8032 0.030896 . . . 65 TYR N . 65 TYR H 51418 1 9 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.84 0.033176 . . . 67 LEU N . 67 LEU H 51418 1 10 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8521 0.040975 . . . 68 ARG N . 68 ARG H 51418 1 11 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.872 0.042735 . . . 69 VAL N . 69 VAL H 51418 1 12 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.822 0.038026 . . . 70 VAL N . 70 VAL H 51418 1 13 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.8484 0.033171 . . . 71 LEU N . 71 LEU H 51418 1 14 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.8198 0.049136 . . . 72 LYS N . 72 LYS H 51418 1 15 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.7749 0.033968 . . . 73 THR N . 73 THR H 51418 1 16 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.8539 0.034076 . . . 75 TRP N . 75 TRP H 51418 1 17 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.772 0.03657 . . . 76 LYS N . 76 LYS H 51418 1 18 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.881 0.040135 . . . 78 GLN N . 78 GLN H 51418 1 19 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.8346 0.04798 . . . 79 PHE N . 79 PHE H 51418 1 20 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.8099 0.026615 . . . 80 ALA N . 80 ALA H 51418 1 21 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.869 0.019952 . . . 81 TRP N . 81 TRP H 51418 1 22 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.811 0.03224 . . . 83 PHE N . 83 PHE H 51418 1 23 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8006 0.025888 . . . 85 GLN N . 85 GLN H 51418 1 24 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.8046 0.024482 . . . 87 VAL N . 87 VAL H 51418 1 25 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.7263 0.046335 . . . 88 ASP N . 88 ASP H 51418 1 26 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.6676 0.040604 . . . 89 ALA N . 89 ALA H 51418 1 27 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.7416 0.047159 . . . 90 VAL N . 90 VAL H 51418 1 28 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.6688 0.034841 . . . 91 LYS N . 91 LYS H 51418 1 29 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7442 0.024762 . . . 93 ASN N . 93 ASN H 51418 1 30 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.7272 0.028045 . . . 94 LEU N . 94 LEU H 51418 1 31 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.8278 0.05026 . . . 98 TYR N . 98 TYR H 51418 1 32 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.6692 0.038251 . . . 99 LYS N . 99 LYS H 51418 1 33 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.72 0.038772 . . . 100 ILE N . 100 ILE H 51418 1 34 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7206 0.028378 . . . 102 LYS N . 102 LYS H 51418 1 35 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.6993 0.031218 . . . 103 THR N . 103 THR H 51418 1 36 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8265 0.05226 . . . 105 MET N . 105 MET H 51418 1 37 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.8356 0.02223 . . . 106 ASP N . 106 ASP H 51418 1 38 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8911 0.030604 . . . 107 MET N . 107 MET H 51418 1 39 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.8289 0.047075 . . . 108 GLY N . 108 GLY H 51418 1 40 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8572 0.032048 . . . 110 ILE N . 110 ILE H 51418 1 41 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8794 0.030998 . . . 111 LYS N . 111 LYS H 51418 1 42 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8601 0.036595 . . . 112 LYS N . 112 LYS H 51418 1 43 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8689 0.049983 . . . 113 ARG N . 113 ARG H 51418 1 44 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.848 0.039483 . . . 114 LEU N . 114 LEU H 51418 1 45 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.7072 0.035379 . . . 115 GLU N . 115 GLU H 51418 1 46 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.7475 0.044121 . . . 116 ASN N . 116 ASN H 51418 1 47 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8254 0.040699 . . . 118 TYR N . 118 TYR H 51418 1 48 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.7787 0.029944 . . . 119 TYR N . 119 TYR H 51418 1 49 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.7434 0.046001 . . . 120 TRP N . 120 TRP H 51418 1 50 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.7625 0.070648 . . . 121 ASN N . 121 ASN H 51418 1 51 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.8142 0.058631 . . . 122 ALA N . 122 ALA H 51418 1 52 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.9204 0.046414 . . . 125 CYS N . 125 CYS H 51418 1 53 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.7396 0.036333 . . . 126 ILE N . 126 ILE H 51418 1 54 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.741 0.026912 . . . 127 GLN N . 127 GLN H 51418 1 55 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8769 0.02963 . . . 128 ASP N . 128 ASP H 51418 1 56 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8714 0.03188 . . . 130 ASN N . 130 ASN H 51418 1 57 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8001 0.032462 . . . 131 THR N . 131 THR H 51418 1 58 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.843 0.031448 . . . 132 MET N . 132 MET H 51418 1 59 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.8481 0.032907 . . . 133 PHE N . 133 PHE H 51418 1 60 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.7877 0.038693 . . . 134 THR N . 134 THR H 51418 1 61 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8584 0.029898 . . . 135 ASN N . 135 ASN H 51418 1 62 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.7739 0.028906 . . . 137 TYR N . 137 TYR H 51418 1 63 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.7687 0.033061 . . . 138 ILE N . 138 ILE H 51418 1 64 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.807 0.029203 . . . 140 ASN N . 140 ASN H 51418 1 65 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.6641 0.018607 . . . 143 GLY N . 143 GLY H 51418 1 66 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.7809 0.020225 . . . 145 ASP N . 145 ASP H 51418 1 67 . 1 1 103 103 ILE N N 15 . 1 1 103 103 ILE H H 1 0.7873 0.02277 . . . 146 ILE N . 146 ILE H 51418 1 68 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.9107 0.042163 . . . 147 VAL N . 147 VAL H 51418 1 69 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.8051 0.031224 . . . 148 LEU N . 148 LEU H 51418 1 70 . 1 1 106 106 MET N N 15 . 1 1 106 106 MET H H 1 0.8836 0.036497 . . . 149 MET N . 149 MET H 51418 1 71 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.841 0.031937 . . . 151 GLU N . 151 GLU H 51418 1 72 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.8907 0.027391 . . . 152 ALA N . 152 ALA H 51418 1 73 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8426 0.03536 . . . 153 LEU N . 153 LEU H 51418 1 74 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.781 0.027088 . . . 154 GLU N . 154 GLU H 51418 1 75 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8343 0.031466 . . . 155 LYS N . 155 LYS H 51418 1 76 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8433 0.033078 . . . 156 LEU N . 156 LEU H 51418 1 77 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8628 0.034103 . . . 157 PHE N . 157 PHE H 51418 1 78 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8395 0.028451 . . . 159 GLN N . 159 GLN H 51418 1 79 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.9173 0.042485 . . . 160 LYS N . 160 LYS H 51418 1 80 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.768 0.033626 . . . 161 ILE N . 161 ILE H 51418 1 81 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.7985 0.02819 . . . 162 ASN N . 162 ASN H 51418 1 82 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.7698 0.030009 . . . 164 LEU N . 164 LEU H 51418 1 83 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.2007 0.050963 . . . 175 GLN N . 175 GLN H 51418 1 84 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 -0.5143 0.20598 . . . 186 THR N . 186 THR H 51418 1 85 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 -0.8111 0.21676 . . . 188 THR N . 188 THR H 51418 1 86 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.7396 0.083958 . . . 189 ALA N . 189 ALA H 51418 1 87 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 -0.5708 0.046819 . . . 192 GLY N . 192 GLY H 51418 1 88 . 1 1 151 151 SER N N 15 . 1 1 151 151 SER H H 1 -0.2811 0.018741 . . . 194 SER N . 194 SER H 51418 1 89 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.4967 0.014151 . . . 196 VAL N . 196 VAL H 51418 1 90 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 -0.6222 0.082437 . . . 198 ASN N . 198 ASN H 51418 1 91 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 -0.4118 0.060261 . . . 199 THR N . 199 THR H 51418 1 92 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 -0.602 0.077583 . . . 201 GLN N . 201 GLN H 51418 1 93 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.6992 0.056312 . . . 202 ALA N . 202 ALA H 51418 1 94 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -0.6911 0.11772 . . . 203 SER N . 203 SER H 51418 1 95 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 -0.6543 0.053958 . . . 204 THR N . 204 THR H 51418 1 96 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.7581 0.051542 . . . 210 THR N . 210 THR H 51418 1 97 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 -0.4787 0.022299 . . . 227 ALA N . 227 ALA H 51418 1 98 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 -0.338 0.015966 . . . 228 VAL N . 228 VAL H 51418 1 99 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 -0.3109 0.015241 . . . 229 THR N . 229 THR H 51418 1 100 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 -0.4092 0.011255 . . . 231 ASP N . 231 ASP H 51418 1 101 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 -0.533 0.010923 . . . 233 ILE N . 233 ILE H 51418 1 102 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.2957 0.010142 . . . 234 VAL N . 234 VAL H 51418 1 103 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 -0.4434 0.019233 . . . 235 GLN N . 235 GLN H 51418 1 104 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.4042 0.010997 . . . 238 VAL N . 238 VAL H 51418 1 105 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.4694 0.040828 . . . 240 THR N . 240 THR H 51418 1 106 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.3857 0.016628 . . . 241 VAL N . 241 VAL H 51418 1 107 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 -0.5084 0.011328 . . . 242 VAL N . 242 VAL H 51418 1 108 . 1 1 206 206 THR N N 15 . 1 1 206 206 THR H H 1 -0.4766 0.033184 . . . 249 THR N . 249 THR H 51418 1 109 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.4989 0.01197 . . . 274 ILE N . 274 ILE H 51418 1 110 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.5543 0.013979 . . . 275 ILE N . 275 ILE H 51418 1 111 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.6246 0.021387 . . . 276 ALA N . 276 ALA H 51418 1 112 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 -0.4573 0.016331 . . . 277 ALA N . 277 ALA H 51418 1 113 . 1 1 235 235 THR N N 15 . 1 1 235 235 THR H H 1 -0.2704 0.1401 . . . 278 THR N . 278 THR H 51418 1 114 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 -0.3088 0.032349 . . . 286 LYS N . 286 LYS H 51418 1 115 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 -0.3381 0.087261 . . . 287 GLY N . 287 GLY H 51418 1 116 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 -0.4322 0.096095 . . . 292 ALA N . 292 ALA H 51418 1 117 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 -0.5897 0.054463 . . . 293 ASP N . 293 ASP H 51418 1 118 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.5414 0.043837 . . . 294 THR N . 294 THR H 51418 1 119 . 1 1 252 252 THR N N 15 . 1 1 252 252 THR H H 1 0.3383 0.018891 . . . 295 THR N . 295 THR H 51418 1 120 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 -0.4393 0.029397 . . . 298 THR N . 298 THR H 51418 1 121 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 -0.3764 0.047812 . . . 299 THR N . 299 THR H 51418 1 122 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 -0.2411 0.01463 . . . 300 ILE N . 300 ILE H 51418 1 123 . 1 1 258 258 ASP N N 15 . 1 1 258 258 ASP H H 1 -0.3484 0.012196 . . . 301 ASP N . 301 ASP H 51418 1 124 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 -0.129 0.010503 . . . 303 ILE N . 303 ILE H 51418 1 125 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 -0.2698 0.039288 . . . 304 HIS N . 304 HIS H 51418 1 126 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 -0.3559 0.026984 . . . 308 SER N . 308 SER H 51418 1 127 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 -0.2516 0.014996 . . . 309 LEU N . 309 LEU H 51418 1 128 . 1 1 272 272 THR N N 15 . 1 1 272 272 THR H H 1 0.6878 0.023291 . . . 315 THR N . 315 THR H 51418 1 129 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 -0.2034 0.02117 . . . 332 LYS N . 332 LYS H 51418 1 130 . 1 1 290 290 LYS N N 15 . 1 1 290 290 LYS H H 1 -0.3068 0.046671 . . . 333 LYS N . 333 LYS H 51418 1 131 . 1 1 291 291 ASP N N 15 . 1 1 291 291 ASP H H 1 -0.2878 0.040676 . . . 334 ASP N . 334 ASP H 51418 1 132 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 -0.3982 0.01384 . . . 335 VAL N . 335 VAL H 51418 1 133 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 -0.2567 0.059227 . . . 338 SER N . 338 SER H 51418 1 134 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 -0.1486 0.017002 . . . 343 ALA N . 343 ALA H 51418 1 135 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 -0.0695 0.017412 . . . 345 GLU N . 345 GLU H 51418 1 136 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.2411 0.1441 . . . 347 SER N . 347 SER H 51418 1 137 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.5341 0.035797 . . . 350 VAL N . 350 VAL H 51418 1 138 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.7221 0.053681 . . . 351 SER N . 351 SER H 51418 1 139 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.6721 0.091224 . . . 352 GLU N . 352 GLU H 51418 1 140 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.9219 0.082117 . . . 353 GLN N . 353 GLN H 51418 1 141 . 1 1 311 311 LEU N N 15 . 1 1 311 311 LEU H H 1 0.8191 0.057435 . . . 354 LEU N . 354 LEU H 51418 1 142 . 1 1 312 312 LYS N N 15 . 1 1 312 312 LYS H H 1 0.8016 0.045508 . . . 355 LYS N . 355 LYS H 51418 1 143 . 1 1 313 313 CYS N N 15 . 1 1 313 313 CYS H H 1 0.6644 0.031294 . . . 356 CYS N . 356 CYS H 51418 1 144 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.9121 0.052072 . . . 359 GLY N . 359 GLY H 51418 1 145 . 1 1 317 317 ILE N N 15 . 1 1 317 317 ILE H H 1 0.7466 0.044139 . . . 360 ILE N . 360 ILE H 51418 1 146 . 1 1 319 319 LYS N N 15 . 1 1 319 319 LYS H H 1 0.6467 0.032214 . . . 362 LYS N . 362 LYS H 51418 1 147 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.8497 0.047192 . . . 363 GLU N . 363 GLU H 51418 1 148 . 1 1 321 321 MET N N 15 . 1 1 321 321 MET H H 1 0.8497 0.048393 . . . 364 MET N . 364 MET H 51418 1 149 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.774 0.04486 . . . 365 PHE N . 365 PHE H 51418 1 150 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.7594 0.041462 . . . 370 ALA N . 370 ALA H 51418 1 151 . 1 1 329 329 TYR N N 15 . 1 1 329 329 TYR H H 1 0.8966 0.12173 . . . 372 TYR N . 372 TYR H 51418 1 152 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8277 0.043047 . . . 374 TRP N . 374 TRP H 51418 1 153 . 1 1 333 333 PHE N N 15 . 1 1 333 333 PHE H H 1 0.7717 0.038674 . . . 376 PHE N . 376 PHE H 51418 1 154 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.8176 0.045412 . . . 377 TYR N . 377 TYR H 51418 1 155 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.7556 0.03131 . . . 378 LYS N . 378 LYS H 51418 1 156 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.771 0.025503 . . . 380 VAL N . 380 VAL H 51418 1 157 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.6251 0.021596 . . . 381 ASP N . 381 ASP H 51418 1 158 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6035 0.029658 . . . 382 VAL N . 382 VAL H 51418 1 159 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.6581 0.033475 . . . 384 ALA N . 384 ALA H 51418 1 160 . 1 1 343 343 GLY N N 15 . 1 1 343 343 GLY H H 1 0.5597 0.070083 . . . 386 GLY N . 386 GLY H 51418 1 161 . 1 1 344 344 LEU N N 15 . 1 1 344 344 LEU H H 1 0.672 0.029216 . . . 387 LEU N . 387 LEU H 51418 1 162 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.761 0.038408 . . . 390 TYR N . 390 TYR H 51418 1 163 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.8699 0.048599 . . . 391 CYS N . 391 CYS H 51418 1 164 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.7141 0.065273 . . . 392 ASP N . 392 ASP H 51418 1 165 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.6461 0.050587 . . . 393 ILE N . 393 ILE H 51418 1 166 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8649 0.032509 . . . 399 ASP N . 399 ASP H 51418 1 167 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.8042 0.033145 . . . 400 MET N . 400 MET H 51418 1 168 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.7685 0.044996 . . . 401 SER N . 401 SER H 51418 1 169 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.8361 0.046067 . . . 403 ILE N . 403 ILE H 51418 1 170 . 1 1 361 361 LYS N N 15 . 1 1 361 361 LYS H H 1 0.8982 0.043706 . . . 404 LYS N . 404 LYS H 51418 1 171 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.8402 0.039487 . . . 405 SER N . 405 SER H 51418 1 172 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.8137 0.044379 . . . 407 LEU N . 407 LEU H 51418 1 173 . 1 1 365 365 GLU N N 15 . 1 1 365 365 GLU H H 1 0.876 0.044016 . . . 408 GLU N . 408 GLU H 51418 1 174 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.8722 0.039117 . . . 409 ALA N . 409 ALA H 51418 1 175 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.7818 0.033399 . . . 410 ARG N . 410 ARG H 51418 1 176 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.7236 0.029605 . . . 412 TYR N . 412 TYR H 51418 1 177 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.7858 0.032556 . . . 413 ARG N . 413 ARG H 51418 1 178 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.7937 0.037644 . . . 414 ASP N . 414 ASP H 51418 1 179 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.7923 0.035966 . . . 415 ALA N . 415 ALA H 51418 1 180 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.8346 0.051423 . . . 416 GLN N . 416 GLN H 51418 1 181 . 1 1 375 375 PHE N N 15 . 1 1 375 375 PHE H H 1 0.8386 0.048172 . . . 418 PHE N . 418 PHE H 51418 1 182 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8017 0.05456 . . . 419 GLY N . 419 GLY H 51418 1 183 . 1 1 378 378 ASP N N 15 . 1 1 378 378 ASP H H 1 0.8317 0.045071 . . . 421 ASP N . 421 ASP H 51418 1 184 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.814 0.042785 . . . 422 VAL N . 422 VAL H 51418 1 185 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.8463 0.068438 . . . 423 ARG N . 423 ARG H 51418 1 186 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.8151 0.054857 . . . 425 MET N . 425 MET H 51418 1 187 . 1 1 383 383 PHE N N 15 . 1 1 383 383 PHE H H 1 0.8571 0.069955 . . . 426 PHE N . 426 PHE H 51418 1 188 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.8588 0.053799 . . . 429 CYS N . 429 CYS H 51418 1 189 . 1 1 390 390 ASN N N 15 . 1 1 390 390 ASN H H 1 0.9528 0.12634 . . . 433 ASN N . 433 ASN H 51418 1 190 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 0.8931 0.054229 . . . 436 ASP N . 436 ASP H 51418 1 191 . 1 1 394 394 HIS N N 15 . 1 1 394 394 HIS H H 1 0.9474 0.080711 . . . 437 HIS N . 437 HIS H 51418 1 192 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.771 0.046011 . . . 438 GLU N . 438 GLU H 51418 1 193 . 1 1 396 396 VAL N N 15 . 1 1 396 396 VAL H H 1 0.7863 0.14716 . . . 439 VAL N . 439 VAL H 51418 1 194 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.8121 0.054253 . . . 440 VAL N . 440 VAL H 51418 1 195 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 0.6543 0.083759 . . . 441 ALA N . 441 ALA H 51418 1 196 . 1 1 399 399 MET N N 15 . 1 1 399 399 MET H H 1 0.8986 0.055087 . . . 442 MET N . 442 MET H 51418 1 197 . 1 1 400 400 ALA N N 15 . 1 1 400 400 ALA H H 1 0.9052 0.070128 . . . 443 ALA N . 443 ALA H 51418 1 198 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.7336 0.10113 . . . 445 LYS N . 445 LYS H 51418 1 199 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.9567 0.13879 . . . 447 GLN N . 447 GLN H 51418 1 200 . 1 1 407 407 PHE N N 15 . 1 1 407 407 PHE H H 1 0.9523 0.068834 . . . 450 PHE N . 450 PHE H 51418 1 201 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.9827 0.11181 . . . 451 GLU N . 451 GLU H 51418 1 202 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.6229 0.082526 . . . 453 ARG N . 453 ARG H 51418 1 203 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.6177 0.074554 . . . 454 PHE N . 454 PHE H 51418 1 204 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.7917 0.041412 . . . 455 ALA N . 455 ALA H 51418 1 205 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 0.0916 0.022517 . . . 460 GLU N . 460 GLU H 51418 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 51418 _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' . . . 51418 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 . . 51418 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 0.1222 0.014113 . . . 49 GLU N . 49 GLU H 51418 2 2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5567 0.043412 . . . 55 LYS N . 55 LYS H 51418 2 3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.3565 0.046559 . . . 57 LYS N . 57 LYS H 51418 2 4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.1938 0.038234 . . . 58 ARG N . 58 ARG H 51418 2 5 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8248 0.049552 . . . 63 LEU N . 63 LEU H 51418 2 6 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 1.035 0.046728 . . . 65 TYR N . 65 TYR H 51418 2 7 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8756 0.043581 . . . 68 ARG N . 68 ARG H 51418 2 8 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.8675 0.044707 . . . 69 VAL N . 69 VAL H 51418 2 9 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.833 0.03604 . . . 70 VAL N . 70 VAL H 51418 2 10 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.9893 0.041707 . . . 71 LEU N . 71 LEU H 51418 2 11 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.8359 0.035783 . . . 72 LYS N . 72 LYS H 51418 2 12 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.886 0.0348 . . . 73 THR N . 73 THR H 51418 2 13 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.7849 0.030893 . . . 75 TRP N . 75 TRP H 51418 2 14 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.8387 0.041219 . . . 76 LYS N . 76 LYS H 51418 2 15 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.943 0.046032 . . . 78 GLN N . 78 GLN H 51418 2 16 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.7649 0.052099 . . . 79 PHE N . 79 PHE H 51418 2 17 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.8794 0.031424 . . . 80 ALA N . 80 ALA H 51418 2 18 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.902 0.028041 . . . 81 TRP N . 81 TRP H 51418 2 19 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.9443 0.044993 . . . 83 PHE N . 83 PHE H 51418 2 20 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8195 0.027752 . . . 85 GLN N . 85 GLN H 51418 2 21 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.7866 0.035266 . . . 87 VAL N . 87 VAL H 51418 2 22 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.7258 0.047413 . . . 88 ASP N . 88 ASP H 51418 2 23 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.8035 0.044587 . . . 89 ALA N . 89 ALA H 51418 2 24 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.9033 0.0475 . . . 91 LYS N . 91 LYS H 51418 2 25 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7748 0.030855 . . . 93 ASN N . 93 ASN H 51418 2 26 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.8819 0.036198 . . . 94 LEU N . 94 LEU H 51418 2 27 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.9324 0.072498 . . . 98 TYR N . 98 TYR H 51418 2 28 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.7717 0.037821 . . . 99 LYS N . 99 LYS H 51418 2 29 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.8864 0.041517 . . . 100 ILE N . 100 ILE H 51418 2 30 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7681 0.032801 . . . 102 LYS N . 102 LYS H 51418 2 31 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8227 0.037614 . . . 103 THR N . 103 THR H 51418 2 32 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.936 0.025246 . . . 106 ASP N . 106 ASP H 51418 2 33 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.9083 0.036281 . . . 107 MET N . 107 MET H 51418 2 34 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.7432 0.044581 . . . 108 GLY N . 108 GLY H 51418 2 35 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8546 0.028906 . . . 110 ILE N . 110 ILE H 51418 2 36 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8955 0.03579 . . . 112 LYS N . 112 LYS H 51418 2 37 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8895 0.05729 . . . 113 ARG N . 113 ARG H 51418 2 38 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.9252 0.045528 . . . 114 LEU N . 114 LEU H 51418 2 39 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.7921 0.040144 . . . 115 GLU N . 115 GLU H 51418 2 40 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8926 0.056109 . . . 118 TYR N . 118 TYR H 51418 2 41 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.9358 0.046152 . . . 119 TYR N . 119 TYR H 51418 2 42 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.946 0.061559 . . . 120 TRP N . 120 TRP H 51418 2 43 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.7473 0.073494 . . . 121 ASN N . 121 ASN H 51418 2 44 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.8798 0.069615 . . . 122 ALA N . 122 ALA H 51418 2 45 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.8443 0.036388 . . . 125 CYS N . 125 CYS H 51418 2 46 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.8926 0.039598 . . . 127 GLN N . 127 GLN H 51418 2 47 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.9 0.037317 . . . 128 ASP N . 128 ASP H 51418 2 48 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.9072 0.039129 . . . 130 ASN N . 130 ASN H 51418 2 49 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8441 0.030578 . . . 131 THR N . 131 THR H 51418 2 50 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.9762 0.038363 . . . 132 MET N . 132 MET H 51418 2 51 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.9045 0.037003 . . . 133 PHE N . 133 PHE H 51418 2 52 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8781 0.047477 . . . 134 THR N . 134 THR H 51418 2 53 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8311 0.032666 . . . 135 ASN N . 135 ASN H 51418 2 54 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.829 0.030557 . . . 137 TYR N . 137 TYR H 51418 2 55 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.8863 0.047903 . . . 138 ILE N . 138 ILE H 51418 2 56 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.8121 0.032791 . . . 140 ASN N . 140 ASN H 51418 2 57 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.7872 0.024892 . . . 143 GLY N . 143 GLY H 51418 2 58 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.786 0.023681 . . . 145 ASP N . 145 ASP H 51418 2 59 . 1 1 103 103 ILE N N 15 . 1 1 103 103 ILE H H 1 0.8552 0.031469 . . . 146 ILE N . 146 ILE H 51418 2 60 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8198 0.033612 . . . 147 VAL N . 147 VAL H 51418 2 61 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.8479 0.035935 . . . 148 LEU N . 148 LEU H 51418 2 62 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.899 0.03498 . . . 151 GLU N . 151 GLU H 51418 2 63 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.9936 0.035576 . . . 152 ALA N . 152 ALA H 51418 2 64 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 1.0162 0.044337 . . . 153 LEU N . 153 LEU H 51418 2 65 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.956 0.031165 . . . 154 GLU N . 154 GLU H 51418 2 66 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.9461 0.034293 . . . 156 LEU N . 156 LEU H 51418 2 67 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8993 0.033072 . . . 157 PHE N . 157 PHE H 51418 2 68 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.9644 0.037391 . . . 159 GLN N . 159 GLN H 51418 2 69 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.829 0.041228 . . . 161 ILE N . 161 ILE H 51418 2 70 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.8618 0.029601 . . . 162 ASN N . 162 ASN H 51418 2 71 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.839 0.039802 . . . 164 LEU N . 164 LEU H 51418 2 72 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.2366 0.032889 . . . 175 GLN N . 175 GLN H 51418 2 73 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 -0.2481 0.13552 . . . 187 GLY N . 187 GLY H 51418 2 74 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 -0.1005 0.058194 . . . 188 THR N . 188 THR H 51418 2 75 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.1483 0.037416 . . . 189 ALA N . 189 ALA H 51418 2 76 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 0.0465 0.034427 . . . 192 GLY N . 192 GLY H 51418 2 77 . 1 1 151 151 SER N N 15 . 1 1 151 151 SER H H 1 0.2271 0.022169 . . . 194 SER N . 194 SER H 51418 2 78 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.0928 0.014191 . . . 196 VAL N . 196 VAL H 51418 2 79 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 0.2497 0.049489 . . . 198 ASN N . 198 ASN H 51418 2 80 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 0.0362 0.026203 . . . 199 THR N . 199 THR H 51418 2 81 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 0.1657 0.031055 . . . 201 GLN N . 201 GLN H 51418 2 82 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.0857 0.017597 . . . 202 ALA N . 202 ALA H 51418 2 83 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -0.168 0.069956 . . . 203 SER N . 203 SER H 51418 2 84 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 0.35 0.033828 . . . 204 THR N . 204 THR H 51418 2 85 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.336 0.044053 . . . 210 THR N . 210 THR H 51418 2 86 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 -0.1283 0.024536 . . . 227 ALA N . 227 ALA H 51418 2 87 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 0.1065 0.021562 . . . 228 VAL N . 228 VAL H 51418 2 88 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 0.0427 0.014913 . . . 229 THR N . 229 THR H 51418 2 89 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 0.2887 0.012347 . . . 231 ASP N . 231 ASP H 51418 2 90 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 0.2217 0.012291 . . . 233 ILE N . 233 ILE H 51418 2 91 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.1845 0.01353 . . . 234 VAL N . 234 VAL H 51418 2 92 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.1034 0.012649 . . . 238 VAL N . 238 VAL H 51418 2 93 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.0443 0.028357 . . . 240 THR N . 240 THR H 51418 2 94 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.0811 0.018872 . . . 241 VAL N . 241 VAL H 51418 2 95 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 0.1493 0.014514 . . . 242 VAL N . 242 VAL H 51418 2 96 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.1302 0.015004 . . . 274 ILE N . 274 ILE H 51418 2 97 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.1337 0.016564 . . . 275 ILE N . 275 ILE H 51418 2 98 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.0574 0.017631 . . . 276 ALA N . 276 ALA H 51418 2 99 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 0.099 0.010126 . . . 277 ALA N . 277 ALA H 51418 2 100 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 0.1628 0.021987 . . . 286 LYS N . 286 LYS H 51418 2 101 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 0.2091 0.052953 . . . 287 GLY N . 287 GLY H 51418 2 102 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 0.1491 0.039654 . . . 292 ALA N . 292 ALA H 51418 2 103 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 0.339 0.024825 . . . 293 ASP N . 293 ASP H 51418 2 104 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.5457 0.027628 . . . 294 THR N . 294 THR H 51418 2 105 . 1 1 252 252 THR N N 15 . 1 1 252 252 THR H H 1 0.3984 0.016745 . . . 295 THR N . 295 THR H 51418 2 106 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 -0.0742 0.023812 . . . 298 THR N . 298 THR H 51418 2 107 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.123 0.030312 . . . 299 THR N . 299 THR H 51418 2 108 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 0.0914 0.018151 . . . 300 ILE N . 300 ILE H 51418 2 109 . 1 1 258 258 ASP N N 15 . 1 1 258 258 ASP H H 1 0.0834 0.014178 . . . 301 ASP N . 301 ASP H 51418 2 110 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 0.179 0.015266 . . . 303 ILE N . 303 ILE H 51418 2 111 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 0.1456 0.030363 . . . 304 HIS N . 304 HIS H 51418 2 112 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 0.1331 0.02916 . . . 308 SER N . 308 SER H 51418 2 113 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 0.1728 0.022678 . . . 309 LEU N . 309 LEU H 51418 2 114 . 1 1 272 272 THR N N 15 . 1 1 272 272 THR H H 1 0.5842 0.025107 . . . 315 THR N . 315 THR H 51418 2 115 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.2811 0.018584 . . . 332 LYS N . 332 LYS H 51418 2 116 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 0.128 0.015917 . . . 335 VAL N . 335 VAL H 51418 2 117 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 0.3934 0.03488 . . . 338 SER N . 338 SER H 51418 2 118 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 0.1896 0.0251 . . . 343 ALA N . 343 ALA H 51418 2 119 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 0.2731 0.022587 . . . 345 GLU N . 345 GLU H 51418 2 120 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.4841 0.092699 . . . 347 SER N . 347 SER H 51418 2 121 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.6429 0.04411 . . . 350 VAL N . 350 VAL H 51418 2 122 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.7618 0.045519 . . . 351 SER N . 351 SER H 51418 2 123 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.794 0.10413 . . . 352 GLU N . 352 GLU H 51418 2 124 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.9494 0.088296 . . . 353 GLN N . 353 GLN H 51418 2 125 . 1 1 311 311 LEU N N 15 . 1 1 311 311 LEU H H 1 0.6058 0.043975 . . . 354 LEU N . 354 LEU H 51418 2 126 . 1 1 312 312 LYS N N 15 . 1 1 312 312 LYS H H 1 0.7261 0.043994 . . . 355 LYS N . 355 LYS H 51418 2 127 . 1 1 313 313 CYS N N 15 . 1 1 313 313 CYS H H 1 0.9261 0.03915 . . . 356 CYS N . 356 CYS H 51418 2 128 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.7956 0.052723 . . . 359 GLY N . 359 GLY H 51418 2 129 . 1 1 317 317 ILE N N 15 . 1 1 317 317 ILE H H 1 0.9557 0.058551 . . . 360 ILE N . 360 ILE H 51418 2 130 . 1 1 319 319 LYS N N 15 . 1 1 319 319 LYS H H 1 0.8716 0.041887 . . . 362 LYS N . 362 LYS H 51418 2 131 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.9437 0.048576 . . . 363 GLU N . 363 GLU H 51418 2 132 . 1 1 321 321 MET N N 15 . 1 1 321 321 MET H H 1 1.1049 0.074756 . . . 364 MET N . 364 MET H 51418 2 133 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.8916 0.045682 . . . 365 PHE N . 365 PHE H 51418 2 134 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.8965 0.046047 . . . 370 ALA N . 370 ALA H 51418 2 135 . 1 1 329 329 TYR N N 15 . 1 1 329 329 TYR H H 1 1.3348 0.16374 . . . 372 TYR N . 372 TYR H 51418 2 136 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8554 0.039116 . . . 374 TRP N . 374 TRP H 51418 2 137 . 1 1 333 333 PHE N N 15 . 1 1 333 333 PHE H H 1 0.5704 0.032399 . . . 376 PHE N . 376 PHE H 51418 2 138 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.8797 0.039718 . . . 377 TYR N . 377 TYR H 51418 2 139 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.9817 0.058754 . . . 378 LYS N . 378 LYS H 51418 2 140 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.8374 0.0425 . . . 380 VAL N . 380 VAL H 51418 2 141 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.6862 0.033255 . . . 381 ASP N . 381 ASP H 51418 2 142 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6777 0.037048 . . . 382 VAL N . 382 VAL H 51418 2 143 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.7021 0.039096 . . . 384 ALA N . 384 ALA H 51418 2 144 . 1 1 343 343 GLY N N 15 . 1 1 343 343 GLY H H 1 0.7059 0.11363 . . . 386 GLY N . 386 GLY H 51418 2 145 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.78 0.038382 . . . 390 TYR N . 390 TYR H 51418 2 146 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.9807 0.079277 . . . 391 CYS N . 391 CYS H 51418 2 147 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.768 0.072019 . . . 392 ASP N . 392 ASP H 51418 2 148 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.8711 0.058101 . . . 393 ILE N . 393 ILE H 51418 2 149 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8859 0.035949 . . . 399 ASP N . 399 ASP H 51418 2 150 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.952 0.042212 . . . 400 MET N . 400 MET H 51418 2 151 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.8679 0.040353 . . . 401 SER N . 401 SER H 51418 2 152 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.9994 0.050875 . . . 403 ILE N . 403 ILE H 51418 2 153 . 1 1 361 361 LYS N N 15 . 1 1 361 361 LYS H H 1 0.9538 0.011712 . . . 404 LYS N . 404 LYS H 51418 2 154 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.8914 0.037874 . . . 405 SER N . 405 SER H 51418 2 155 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.9325 0.047279 . . . 407 LEU N . 407 LEU H 51418 2 156 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.7951 0.031426 . . . 409 ALA N . 409 ALA H 51418 2 157 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.8401 0.038775 . . . 410 ARG N . 410 ARG H 51418 2 158 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.7964 0.035709 . . . 412 TYR N . 412 TYR H 51418 2 159 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.9207 0.049571 . . . 413 ARG N . 413 ARG H 51418 2 160 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.8354 0.038676 . . . 414 ASP N . 414 ASP H 51418 2 161 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.776 0.042584 . . . 415 ALA N . 415 ALA H 51418 2 162 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.9231 0.059239 . . . 416 GLN N . 416 GLN H 51418 2 163 . 1 1 375 375 PHE N N 15 . 1 1 375 375 PHE H H 1 0.9118 0.045398 . . . 418 PHE N . 418 PHE H 51418 2 164 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8774 0.056091 . . . 419 GLY N . 419 GLY H 51418 2 165 . 1 1 378 378 ASP N N 15 . 1 1 378 378 ASP H H 1 0.9241 0.03949 . . . 421 ASP N . 421 ASP H 51418 2 166 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.9517 0.046054 . . . 422 VAL N . 422 VAL H 51418 2 167 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.8561 0.064661 . . . 423 ARG N . 423 ARG H 51418 2 168 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.9101 0.057122 . . . 425 MET N . 425 MET H 51418 2 169 . 1 1 383 383 PHE N N 15 . 1 1 383 383 PHE H H 1 0.8826 0.061213 . . . 426 PHE N . 426 PHE H 51418 2 170 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.9877 0.055263 . . . 429 CYS N . 429 CYS H 51418 2 171 . 1 1 390 390 ASN N N 15 . 1 1 390 390 ASN H H 1 0.8842 0.11555 . . . 433 ASN N . 433 ASN H 51418 2 172 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 0.9122 0.056197 . . . 436 ASP N . 436 ASP H 51418 2 173 . 1 1 394 394 HIS N N 15 . 1 1 394 394 HIS H H 1 0.9077 0.10477 . . . 437 HIS N . 437 HIS H 51418 2 174 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.8195 0.0472 . . . 438 GLU N . 438 GLU H 51418 2 175 . 1 1 396 396 VAL N N 15 . 1 1 396 396 VAL H H 1 0.9196 0.19436 . . . 439 VAL N . 439 VAL H 51418 2 176 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.9671 0.062366 . . . 440 VAL N . 440 VAL H 51418 2 177 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 1.0257 0.10676 . . . 441 ALA N . 441 ALA H 51418 2 178 . 1 1 399 399 MET N N 15 . 1 1 399 399 MET H H 1 0.8983 0.046741 . . . 442 MET N . 442 MET H 51418 2 179 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.8228 0.091994 . . . 445 LYS N . 445 LYS H 51418 2 180 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.9917 0.15255 . . . 447 GLN N . 447 GLN H 51418 2 181 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.8819 0.10183 . . . 451 GLU N . 451 GLU H 51418 2 182 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.917 0.10178 . . . 453 ARG N . 453 ARG H 51418 2 183 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.9502 0.11729 . . . 454 PHE N . 454 PHE H 51418 2 184 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.8738 0.04531 . . . 455 ALA N . 455 ALA H 51418 2 185 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 0.314 0.034347 . . . 460 GLU N . 460 GLU H 51418 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 51418 _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' . . . 51418 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 . . 51418 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 1.3268 0.0070837 . . 49 GLU N 51418 1 2 . 1 1 12 12 LYS N N 15 1.0986 0.022579 . . 55 LYS N 51418 1 3 . 1 1 14 14 LYS N N 15 1.2786 0.059441 . . 57 LYS N 51418 1 4 . 1 1 15 15 ARG N N 15 1.5712 0.076018 . . 58 ARG N 51418 1 5 . 1 1 17 17 THR N N 15 1.5148 0.067975 . . 60 THR N 51418 1 6 . 1 1 20 20 LEU N N 15 1.0047 0.042493 . . 63 LEU N 51418 1 7 . 1 1 21 21 GLN N N 15 1.0015 0.020649 . . 64 GLN N 51418 1 8 . 1 1 22 22 TYR N N 15 1.0777 0.02321 . . 65 TYR N 51418 1 9 . 1 1 24 24 LEU N N 15 0.948 0.02624 . . 67 LEU N 51418 1 10 . 1 1 25 25 ARG N N 15 0.97044 0.031336 . . 68 ARG N 51418 1 11 . 1 1 26 26 VAL N N 15 1.0309 0.038258 . . 69 VAL N 51418 1 12 . 1 1 27 27 VAL N N 15 0.95995 0.02831 . . 70 VAL N 51418 1 13 . 1 1 28 28 LEU N N 15 0.9422 0.022282 . . 71 LEU N 51418 1 14 . 1 1 29 29 LYS N N 15 0.91418 0.034427 . . 72 LYS N 51418 1 15 . 1 1 30 30 THR N N 15 1.0427 0.022511 . . 73 THR N 51418 1 16 . 1 1 32 32 TRP N N 15 0.94086 0.021242 . . 75 TRP N 51418 1 17 . 1 1 33 33 LYS N N 15 0.99543 0.024686 . . 76 LYS N 51418 1 18 . 1 1 35 35 GLN N N 15 1.0359 0.025713 . . 78 GLN N 51418 1 19 . 1 1 36 36 PHE N N 15 0.90907 0.031457 . . 79 PHE N 51418 1 20 . 1 1 37 37 ALA N N 15 1.0732 0.018827 . . 80 ALA N 51418 1 21 . 1 1 38 38 TRP N N 15 1.0747 0.01316 . . 81 TRP N 51418 1 22 . 1 1 40 40 PHE N N 15 1.0902 0.0263 . . 83 PHE N 51418 1 23 . 1 1 42 42 GLN N N 15 1.0095 0.015446 . . 85 GLN N 51418 1 24 . 1 1 44 44 VAL N N 15 1.0173 0.013395 . . 87 VAL N 51418 1 25 . 1 1 45 45 ASP N N 15 1.1235 0.028641 . . 88 ASP N 51418 1 26 . 1 1 46 46 ALA N N 15 0.94478 0.0228 . . 89 ALA N 51418 1 27 . 1 1 47 47 VAL N N 15 0.90202 0.025438 . . 90 VAL N 51418 1 28 . 1 1 48 48 LYS N N 15 0.923 0.021697 . . 91 LYS N 51418 1 29 . 1 1 50 50 ASN N N 15 1.0179 0.015938 . . 93 ASN N 51418 1 30 . 1 1 51 51 LEU N N 15 0.92302 0.017769 . . 94 LEU N 51418 1 31 . 1 1 55 55 TYR N N 15 1.0306 0.034574 . . 98 TYR N 51418 1 32 . 1 1 56 56 LYS N N 15 1.0411 0.03116 . . 99 LYS N 51418 1 33 . 1 1 57 57 ILE N N 15 1.0719 0.030592 . . 100 ILE N 51418 1 34 . 1 1 59 59 LYS N N 15 0.99124 0.015877 . . 102 LYS N 51418 1 35 . 1 1 60 60 THR N N 15 0.97546 0.018774 . . 103 THR N 51418 1 36 . 1 1 62 62 MET N N 15 0.87908 0.031062 . . 105 MET N 51418 1 37 . 1 1 63 63 ASP N N 15 0.947 0.012435 . . 106 ASP N 51418 1 38 . 1 1 64 64 MET N N 15 0.94108 0.019882 . . 107 MET N 51418 1 39 . 1 1 65 65 GLY N N 15 0.95923 0.031517 . . 108 GLY N 51418 1 40 . 1 1 67 67 ILE N N 15 0.91135 0.021222 . . 110 ILE N 51418 1 41 . 1 1 68 68 LYS N N 15 0.83741 0.02202 . . 111 LYS N 51418 1 42 . 1 1 69 69 LYS N N 15 0.90454 0.025766 . . 112 LYS N 51418 1 43 . 1 1 70 70 ARG N N 15 0.964 0.036923 . . 113 ARG N 51418 1 44 . 1 1 71 71 LEU N N 15 0.92838 0.027676 . . 114 LEU N 51418 1 45 . 1 1 72 72 GLU N N 15 0.93947 0.028728 . . 115 GLU N 51418 1 46 . 1 1 73 73 ASN N N 15 0.87724 0.02765 . . 116 ASN N 51418 1 47 . 1 1 75 75 TYR N N 15 1.0439 0.028243 . . 118 TYR N 51418 1 48 . 1 1 76 76 TYR N N 15 1.1034 0.021004 . . 119 TYR N 51418 1 49 . 1 1 77 77 TRP N N 15 0.93862 0.030981 . . 120 TRP N 51418 1 50 . 1 1 78 78 ASN N N 15 1.0773 0.062173 . . 121 ASN N 51418 1 51 . 1 1 79 79 ALA N N 15 0.96168 0.033741 . . 122 ALA N 51418 1 52 . 1 1 82 82 CYS N N 15 0.94303 0.034142 . . 125 CYS N 51418 1 53 . 1 1 83 83 ILE N N 15 1.0605 0.033885 . . 126 ILE N 51418 1 54 . 1 1 84 84 GLN N N 15 0.93969 0.024816 . . 127 GLN N 51418 1 55 . 1 1 85 85 ASP N N 15 0.9028 0.020548 . . 128 ASP N 51418 1 56 . 1 1 87 87 ASN N N 15 0.88916 0.020461 . . 130 ASN N 51418 1 57 . 1 1 88 88 THR N N 15 0.92965 0.019994 . . 131 THR N 51418 1 58 . 1 1 89 89 MET N N 15 0.95605 0.020509 . . 132 MET N 51418 1 59 . 1 1 90 90 PHE N N 15 0.95256 0.021852 . . 133 PHE N 51418 1 60 . 1 1 91 91 THR N N 15 0.88125 0.02312 . . 134 THR N 51418 1 61 . 1 1 92 92 ASN N N 15 0.98188 0.01974 . . 135 ASN N 51418 1 62 . 1 1 94 94 TYR N N 15 0.91015 0.02295 . . 137 TYR N 51418 1 63 . 1 1 95 95 ILE N N 15 0.89284 0.025002 . . 138 ILE N 51418 1 64 . 1 1 97 97 ASN N N 15 0.94713 0.018924 . . 140 ASN N 51418 1 65 . 1 1 100 100 GLY N N 15 0.91644 0.011104 . . 143 GLY N 51418 1 66 . 1 1 102 102 ASP N N 15 0.92214 0.010788 . . 145 ASP N 51418 1 67 . 1 1 103 103 ILE N N 15 0.95493 0.013247 . . 146 ILE N 51418 1 68 . 1 1 104 104 VAL N N 15 0.93882 0.028721 . . 147 VAL N 51418 1 69 . 1 1 105 105 LEU N N 15 0.99781 0.025948 . . 148 LEU N 51418 1 70 . 1 1 106 106 MET N N 15 0.94134 0.028205 . . 149 MET N 51418 1 71 . 1 1 108 108 GLU N N 15 0.90319 0.023081 . . 151 GLU N 51418 1 72 . 1 1 109 109 ALA N N 15 1.0031 0.021634 . . 152 ALA N 51418 1 73 . 1 1 110 110 LEU N N 15 0.92737 0.030136 . . 153 LEU N 51418 1 74 . 1 1 111 111 GLU N N 15 0.93092 0.024094 . . 154 GLU N 51418 1 75 . 1 1 112 112 LYS N N 15 0.97546 0.022542 . . 155 LYS N 51418 1 76 . 1 1 113 113 LEU N N 15 0.96894 0.027339 . . 156 LEU N 51418 1 77 . 1 1 114 114 PHE N N 15 0.94619 0.028481 . . 157 PHE N 51418 1 78 . 1 1 116 116 GLN N N 15 0.97497 0.022461 . . 159 GLN N 51418 1 79 . 1 1 117 117 LYS N N 15 0.99419 0.034085 . . 160 LYS N 51418 1 80 . 1 1 118 118 ILE N N 15 0.93865 0.024927 . . 161 ILE N 51418 1 81 . 1 1 119 119 ASN N N 15 0.9855 0.021106 . . 162 ASN N 51418 1 82 . 1 1 121 121 LEU N N 15 0.96057 0.018321 . . 164 LEU N 51418 1 83 . 1 1 132 132 GLN N N 15 1.1967 0.045461 . . 175 GLN N 51418 1 84 . 1 1 143 143 THR N N 15 1.1525 0.20115 . . 186 THR N 51418 1 85 . 1 1 144 144 GLY N N 15 1.7592 1.0946 . . 187 GLY N 51418 1 86 . 1 1 145 145 THR N N 15 1.1253 0.14165 . . 188 THR N 51418 1 87 . 1 1 146 146 ALA N N 15 1.1264 0.04519 . . 189 ALA N 51418 1 88 . 1 1 149 149 GLY N N 15 1.0569 0.035289 . . 192 GLY N 51418 1 89 . 1 1 151 151 SER N N 15 1.3509 0.013319 . . 194 SER N 51418 1 90 . 1 1 153 153 VAL N N 15 1.235 0.0074109 . . 196 VAL N 51418 1 91 . 1 1 155 155 ASN N N 15 1.2609 0.08463 . . 198 ASN N 51418 1 92 . 1 1 156 156 THR N N 15 1.2305 0.056406 . . 199 THR N 51418 1 93 . 1 1 158 158 GLN N N 15 1.1969 0.058779 . . 201 GLN N 51418 1 94 . 1 1 159 159 ALA N N 15 1.1038 0.029652 . . 202 ALA N 51418 1 95 . 1 1 160 160 SER N N 15 0.99487 0.10485 . . 203 SER N 51418 1 96 . 1 1 161 161 THR N N 15 1.0891 0.027573 . . 204 THR N 51418 1 97 . 1 1 167 167 THR N N 15 1.0869 0.025088 . . 210 THR N 51418 1 98 . 1 1 184 184 ALA N N 15 1.181 0.012348 . . 227 ALA N 51418 1 99 . 1 1 185 185 VAL N N 15 1.2194 0.0081081 . . 228 VAL N 51418 1 100 . 1 1 186 186 THR N N 15 1.2687 0.0096876 . . 229 THR N 51418 1 101 . 1 1 188 188 ASP N N 15 1.3782 0.0069077 . . 231 ASP N 51418 1 102 . 1 1 190 190 ILE N N 15 1.3536 0.0054341 . . 233 ILE N 51418 1 103 . 1 1 191 191 VAL N N 15 1.3407 0.0056901 . . 234 VAL N 51418 1 104 . 1 1 192 192 GLN N N 15 1.2497 0.012412 . . 235 GLN N 51418 1 105 . 1 1 195 195 VAL N N 15 1.2542 0.0053953 . . 238 VAL N 51418 1 106 . 1 1 197 197 THR N N 15 1.1287 0.026467 . . 240 THR N 51418 1 107 . 1 1 198 198 VAL N N 15 1.2051 0.0096172 . . 241 VAL N 51418 1 108 . 1 1 199 199 VAL N N 15 1.316 0.0057319 . . 242 VAL N 51418 1 109 . 1 1 206 206 THR N N 15 1.1227 0.017306 . . 249 THR N 51418 1 110 . 1 1 231 231 ILE N N 15 1.2534 0.0055681 . . 274 ILE N 51418 1 111 . 1 1 232 232 ILE N N 15 1.2557 0.0069312 . . 275 ILE N 51418 1 112 . 1 1 233 233 ALA N N 15 1.1656 0.011666 . . 276 ALA N 51418 1 113 . 1 1 234 234 ALA N N 15 1.1137 0.008942 . . 277 ALA N 51418 1 114 . 1 1 235 235 THR N N 15 1.4006 0.087445 . . 278 THR N 51418 1 115 . 1 1 243 243 LYS N N 15 1.3739 0.027263 . . 286 LYS N 51418 1 116 . 1 1 244 244 GLY N N 15 1.322 0.10791 . . 287 GLY N 51418 1 117 . 1 1 249 249 ALA N N 15 1.5446 0.10122 . . 292 ALA N 51418 1 118 . 1 1 250 250 ASP N N 15 1.3101 0.037014 . . 293 ASP N 51418 1 119 . 1 1 251 251 THR N N 15 1.0405 0.037641 . . 294 THR N 51418 1 120 . 1 1 252 252 THR N N 15 1.0528 0.014409 . . 295 THR N 51418 1 121 . 1 1 255 255 THR N N 15 1.1992 0.018901 . . 298 THR N 51418 1 122 . 1 1 256 256 THR N N 15 1.2171 0.034478 . . 299 THR N 51418 1 123 . 1 1 257 257 ILE N N 15 1.3139 0.0094423 . . 300 ILE N 51418 1 124 . 1 1 258 258 ASP N N 15 1.3844 0.0081099 . . 301 ASP N 51418 1 125 . 1 1 260 260 ILE N N 15 1.4372 0.0069167 . . 303 ILE N 51418 1 126 . 1 1 261 261 HIS N N 15 1.3449 0.033334 . . 304 HIS N 51418 1 127 . 1 1 265 265 SER N N 15 1.1553 0.017291 . . 308 SER N 51418 1 128 . 1 1 266 266 LEU N N 15 1.2034 0.0084891 . . 309 LEU N 51418 1 129 . 1 1 272 272 THR N N 15 1.0471 0.014499 . . 315 THR N 51418 1 130 . 1 1 275 275 LEU N N 15 1.4738 0.10508 . . 318 LEU N 51418 1 131 . 1 1 289 289 LYS N N 15 1.3445 0.016668 . . 332 LYS N 51418 1 132 . 1 1 290 290 LYS N N 15 1.3952 0.042948 . . 333 LYS N 51418 1 133 . 1 1 291 291 ASP N N 15 1.3531 0.033429 . . 334 ASP N 51418 1 134 . 1 1 292 292 VAL N N 15 1.3166 0.0077398 . . 335 VAL N 51418 1 135 . 1 1 295 295 SER N N 15 1.2484 0.059952 . . 338 SER N 51418 1 136 . 1 1 300 300 ALA N N 15 1.2659 0.011723 . . 343 ALA N 51418 1 137 . 1 1 302 302 GLU N N 15 1.3266 0.013983 . . 345 GLU N 51418 1 138 . 1 1 304 304 SER N N 15 1.1993 0.25736 . . 347 SER N 51418 1 139 . 1 1 307 307 VAL N N 15 1.0556 0.024814 . . 350 VAL N 51418 1 140 . 1 1 308 308 SER N N 15 1.021 0.035402 . . 351 SER N 51418 1 141 . 1 1 309 309 GLU N N 15 0.93527 0.06349 . . 352 GLU N 51418 1 142 . 1 1 310 310 GLN N N 15 1.0411 0.050379 . . 353 GLN N 51418 1 143 . 1 1 311 311 LEU N N 15 0.97761 0.038948 . . 354 LEU N 51418 1 144 . 1 1 312 312 LYS N N 15 0.94931 0.02844 . . 355 LYS N 51418 1 145 . 1 1 313 313 CYS N N 15 1.1 0.022583 . . 356 CYS N 51418 1 146 . 1 1 316 316 GLY N N 15 0.98332 0.035443 . . 359 GLY N 51418 1 147 . 1 1 317 317 ILE N N 15 0.97507 0.029687 . . 360 ILE N 51418 1 148 . 1 1 319 319 LYS N N 15 0.89568 0.025206 . . 362 LYS N 51418 1 149 . 1 1 320 320 GLU N N 15 0.94866 0.029675 . . 363 GLU N 51418 1 150 . 1 1 321 321 MET N N 15 0.93913 0.033298 . . 364 MET N 51418 1 151 . 1 1 322 322 PHE N N 15 0.81719 0.029013 . . 365 PHE N 51418 1 152 . 1 1 327 327 ALA N N 15 1.0141 0.031441 . . 370 ALA N 51418 1 153 . 1 1 329 329 TYR N N 15 1.1398 0.11086 . . 372 TYR N 51418 1 154 . 1 1 331 331 TRP N N 15 1.0577 0.034434 . . 374 TRP N 51418 1 155 . 1 1 333 333 PHE N N 15 1.1303 0.036776 . . 376 PHE N 51418 1 156 . 1 1 334 334 TYR N N 15 0.92442 0.03385 . . 377 TYR N 51418 1 157 . 1 1 335 335 LYS N N 15 0.9634 0.021481 . . 378 LYS N 51418 1 158 . 1 1 337 337 VAL N N 15 0.95581 0.012218 . . 380 VAL N 51418 1 159 . 1 1 338 338 ASP N N 15 1.0275 0.012495 . . 381 ASP N 51418 1 160 . 1 1 339 339 VAL N N 15 0.89184 0.015427 . . 382 VAL N 51418 1 161 . 1 1 341 341 ALA N N 15 0.89664 0.018006 . . 384 ALA N 51418 1 162 . 1 1 343 343 GLY N N 15 1.0976 0.06608 . . 386 GLY N 51418 1 163 . 1 1 344 344 LEU N N 15 1.0138 0.018809 . . 387 LEU N 51418 1 164 . 1 1 347 347 TYR N N 15 1.0245 0.028203 . . 390 TYR N 51418 1 165 . 1 1 348 348 CYS N N 15 0.9416 0.025557 . . 391 CYS N 51418 1 166 . 1 1 349 349 ASP N N 15 0.92091 0.043813 . . 392 ASP N 51418 1 167 . 1 1 350 350 ILE N N 15 0.99763 0.043726 . . 393 ILE N 51418 1 168 . 1 1 351 351 ILE N N 15 1.3498 0.1969 . . 394 ILE N 51418 1 169 . 1 1 356 356 ASP N N 15 0.9353 0.016699 . . 399 ASP N 51418 1 170 . 1 1 357 357 MET N N 15 0.90739 0.021437 . . 400 MET N 51418 1 171 . 1 1 358 358 SER N N 15 0.87891 0.029875 . . 401 SER N 51418 1 172 . 1 1 360 360 ILE N N 15 0.89568 0.029705 . . 403 ILE N 51418 1 173 . 1 1 361 361 LYS N N 15 0.8667 0.030049 . . 404 LYS N 51418 1 174 . 1 1 362 362 SER N N 15 0.87274 0.025042 . . 405 SER N 51418 1 175 . 1 1 364 364 LEU N N 15 0.93102 0.036217 . . 407 LEU N 51418 1 176 . 1 1 365 365 GLU N N 15 0.87514 0.030488 . . 408 GLU N 51418 1 177 . 1 1 366 366 ALA N N 15 0.90975 0.029611 . . 409 ALA N 51418 1 178 . 1 1 367 367 ARG N N 15 1.0264 0.03036 . . 410 ARG N 51418 1 179 . 1 1 369 369 TYR N N 15 0.92495 0.019135 . . 412 TYR N 51418 1 180 . 1 1 370 370 ARG N N 15 0.87839 0.021115 . . 413 ARG N 51418 1 181 . 1 1 371 371 ASP N N 15 0.88104 0.023056 . . 414 ASP N 51418 1 182 . 1 1 372 372 ALA N N 15 0.8632 0.020802 . . 415 ALA N 51418 1 183 . 1 1 373 373 GLN N N 15 0.84017 0.030649 . . 416 GLN N 51418 1 184 . 1 1 375 375 PHE N N 15 0.88612 0.038434 . . 418 PHE N 51418 1 185 . 1 1 376 376 GLY N N 15 0.83822 0.044248 . . 419 GLY N 51418 1 186 . 1 1 377 377 ALA N N 15 1.3792 0.057506 . . 420 ALA N 51418 1 187 . 1 1 378 378 ASP N N 15 0.89581 0.037211 . . 421 ASP N 51418 1 188 . 1 1 379 379 VAL N N 15 0.91603 0.039034 . . 422 VAL N 51418 1 189 . 1 1 380 380 ARG N N 15 0.88163 0.060332 . . 423 ARG N 51418 1 190 . 1 1 382 382 MET N N 15 0.86327 0.047527 . . 425 MET N 51418 1 191 . 1 1 383 383 PHE N N 15 0.84742 0.05183 . . 426 PHE N 51418 1 192 . 1 1 386 386 CYS N N 15 0.91254 0.036716 . . 429 CYS N 51418 1 193 . 1 1 390 390 ASN N N 15 0.87004 0.072835 . . 433 ASN N 51418 1 194 . 1 1 393 393 ASP N N 15 0.98084 0.035874 . . 436 ASP N 51418 1 195 . 1 1 394 394 HIS N N 15 0.99011 0.070527 . . 437 HIS N 51418 1 196 . 1 1 395 395 GLU N N 15 0.84085 0.027335 . . 438 GLU N 51418 1 197 . 1 1 396 396 VAL N N 15 0.87978 0.1368 . . 439 VAL N 51418 1 198 . 1 1 397 397 VAL N N 15 0.90772 0.041623 . . 440 VAL N 51418 1 199 . 1 1 398 398 ALA N N 15 0.9037 0.077207 . . 441 ALA N 51418 1 200 . 1 1 399 399 MET N N 15 0.92365 0.036664 . . 442 MET N 51418 1 201 . 1 1 400 400 ALA N N 15 0.89523 0.050838 . . 443 ALA N 51418 1 202 . 1 1 402 402 LYS N N 15 0.96069 0.094023 . . 445 LYS N 51418 1 203 . 1 1 404 404 GLN N N 15 0.97534 0.12417 . . 447 GLN N 51418 1 204 . 1 1 407 407 PHE N N 15 0.94132 0.053044 . . 450 PHE N 51418 1 205 . 1 1 408 408 GLU N N 15 0.93889 0.09308 . . 451 GLU N 51418 1 206 . 1 1 410 410 ARG N N 15 0.88046 0.083507 . . 453 ARG N 51418 1 207 . 1 1 411 411 PHE N N 15 0.9564 0.08835 . . 454 PHE N 51418 1 208 . 1 1 412 412 ALA N N 15 0.924 0.029631 . . 455 ALA N 51418 1 209 . 1 1 417 417 GLU N N 15 1.2541 0.013791 . . 460 GLU N 51418 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 51418 _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' . . . 51418 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 . . 51418 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 1.2692 0.0065084 . . 49 GLU N 51418 2 2 . 1 1 12 12 LYS N N 15 0.81992 0.016914 . . 55 LYS N 51418 2 3 . 1 1 14 14 LYS N N 15 1.1899 0.027699 . . 57 LYS N 51418 2 4 . 1 1 15 15 ARG N N 15 1.3892 0.036584 . . 58 ARG N 51418 2 5 . 1 1 17 17 THR N N 15 1.4456 0.057692 . . 60 THR N 51418 2 6 . 1 1 20 20 LEU N N 15 0.62324 0.019267 . . 63 LEU N 51418 2 7 . 1 1 21 21 GLN N N 15 0.70125 0.010585 . . 64 GLN N 51418 2 8 . 1 1 22 22 TYR N N 15 0.76478 0.011419 . . 65 TYR N 51418 2 9 . 1 1 24 24 LEU N N 15 0.67634 0.013036 . . 67 LEU N 51418 2 10 . 1 1 25 25 ARG N N 15 0.72974 0.018547 . . 68 ARG N 51418 2 11 . 1 1 26 26 VAL N N 15 0.78109 0.01732 . . 69 VAL N 51418 2 12 . 1 1 27 27 VAL N N 15 0.64589 0.015818 . . 70 VAL N 51418 2 13 . 1 1 28 28 LEU N N 15 0.66241 0.01351 . . 71 LEU N 51418 2 14 . 1 1 29 29 LYS N N 15 0.67652 0.012427 . . 72 LYS N 51418 2 15 . 1 1 30 30 THR N N 15 0.71061 0.011091 . . 73 THR N 51418 2 16 . 1 1 32 32 TRP N N 15 0.66591 0.010275 . . 75 TRP N 51418 2 17 . 1 1 33 33 LYS N N 15 0.70233 0.012908 . . 76 LYS N 51418 2 18 . 1 1 35 35 GLN N N 15 0.74225 0.012638 . . 78 GLN N 51418 2 19 . 1 1 36 36 PHE N N 15 0.63863 0.020852 . . 79 PHE N 51418 2 20 . 1 1 37 37 ALA N N 15 0.79943 0.0097886 . . 80 ALA N 51418 2 21 . 1 1 38 38 TRP N N 15 0.78052 0.007691 . . 81 TRP N 51418 2 22 . 1 1 40 40 PHE N N 15 0.77881 0.01387 . . 83 PHE N 51418 2 23 . 1 1 42 42 GLN N N 15 0.75679 0.0096608 . . 85 GLN N 51418 2 24 . 1 1 44 44 VAL N N 15 0.73721 0.0086507 . . 87 VAL N 51418 2 25 . 1 1 45 45 ASP N N 15 0.77744 0.02031 . . 88 ASP N 51418 2 26 . 1 1 46 46 ALA N N 15 0.66843 0.011322 . . 89 ALA N 51418 2 27 . 1 1 47 47 VAL N N 15 0.63161 0.012538 . . 90 VAL N 51418 2 28 . 1 1 48 48 LYS N N 15 0.70015 0.012355 . . 91 LYS N 51418 2 29 . 1 1 50 50 ASN N N 15 0.72815 0.0090725 . . 93 ASN N 51418 2 30 . 1 1 51 51 LEU N N 15 0.67483 0.011005 . . 94 LEU N 51418 2 31 . 1 1 55 55 TYR N N 15 0.72547 0.024679 . . 98 TYR N 51418 2 32 . 1 1 56 56 LYS N N 15 0.74156 0.014264 . . 99 LYS N 51418 2 33 . 1 1 57 57 ILE N N 15 0.74742 0.014293 . . 100 ILE N 51418 2 34 . 1 1 59 59 LYS N N 15 0.73275 0.0092557 . . 102 LYS N 51418 2 35 . 1 1 60 60 THR N N 15 0.72251 0.010821 . . 103 THR N 51418 2 36 . 1 1 62 62 MET N N 15 0.62038 0.015914 . . 105 MET N 51418 2 37 . 1 1 63 63 ASP N N 15 0.6746 0.0068403 . . 106 ASP N 51418 2 38 . 1 1 64 64 MET N N 15 0.6568 0.010517 . . 107 MET N 51418 2 39 . 1 1 65 65 GLY N N 15 0.67369 0.017662 . . 108 GLY N 51418 2 40 . 1 1 67 67 ILE N N 15 0.63732 0.0098926 . . 110 ILE N 51418 2 41 . 1 1 68 68 LYS N N 15 0.72459 0.011446 . . 111 LYS N 51418 2 42 . 1 1 69 69 LYS N N 15 0.64117 0.012866 . . 112 LYS N 51418 2 43 . 1 1 70 70 ARG N N 15 0.64292 0.023326 . . 113 ARG N 51418 2 44 . 1 1 71 71 LEU N N 15 0.65306 0.014028 . . 114 LEU N 51418 2 45 . 1 1 72 72 GLU N N 15 0.65162 0.014569 . . 115 GLU N 51418 2 46 . 1 1 73 73 ASN N N 15 0.6123 0.015465 . . 116 ASN N 51418 2 47 . 1 1 75 75 TYR N N 15 0.80349 0.020634 . . 118 TYR N 51418 2 48 . 1 1 76 76 TYR N N 15 0.82225 0.011767 . . 119 TYR N 51418 2 49 . 1 1 77 77 TRP N N 15 0.66856 0.021124 . . 120 TRP N 51418 2 50 . 1 1 78 78 ASN N N 15 0.538 0.044991 . . 121 ASN N 51418 2 51 . 1 1 79 79 ALA N N 15 0.68873 0.024475 . . 122 ALA N 51418 2 52 . 1 1 82 82 CYS N N 15 0.6612 0.014013 . . 125 CYS N 51418 2 53 . 1 1 83 83 ILE N N 15 0.65922 0.017967 . . 126 ILE N 51418 2 54 . 1 1 84 84 GLN N N 15 0.68089 0.011159 . . 127 GLN N 51418 2 55 . 1 1 85 85 ASP N N 15 0.64483 0.010003 . . 128 ASP N 51418 2 56 . 1 1 87 87 ASN N N 15 0.61521 0.010385 . . 130 ASN N 51418 2 57 . 1 1 88 88 THR N N 15 0.62656 0.0097301 . . 131 THR N 51418 2 58 . 1 1 89 89 MET N N 15 0.63741 0.010425 . . 132 MET N 51418 2 59 . 1 1 90 90 PHE N N 15 0.63373 0.011345 . . 133 PHE N 51418 2 60 . 1 1 91 91 THR N N 15 0.61923 0.012724 . . 134 THR N 51418 2 61 . 1 1 92 92 ASN N N 15 0.67432 0.01063 . . 135 ASN N 51418 2 62 . 1 1 94 94 TYR N N 15 0.62921 0.012194 . . 137 TYR N 51418 2 63 . 1 1 95 95 ILE N N 15 0.64794 0.014256 . . 138 ILE N 51418 2 64 . 1 1 97 97 ASN N N 15 0.64742 0.011042 . . 140 ASN N 51418 2 65 . 1 1 100 100 GLY N N 15 0.66227 0.0072623 . . 143 GLY N 51418 2 66 . 1 1 102 102 ASP N N 15 0.66613 0.0062682 . . 145 ASP N 51418 2 67 . 1 1 103 103 ILE N N 15 0.69231 0.0078722 . . 146 ILE N 51418 2 68 . 1 1 104 104 VAL N N 15 0.6594 0.012543 . . 147 VAL N 51418 2 69 . 1 1 105 105 LEU N N 15 0.69108 0.013917 . . 148 LEU N 51418 2 70 . 1 1 106 106 MET N N 15 0.68347 0.012596 . . 149 MET N 51418 2 71 . 1 1 108 108 GLU N N 15 0.64224 0.012504 . . 151 GLU N 51418 2 72 . 1 1 109 109 ALA N N 15 0.72057 0.011941 . . 152 ALA N 51418 2 73 . 1 1 110 110 LEU N N 15 0.64647 0.015261 . . 153 LEU N 51418 2 74 . 1 1 111 111 GLU N N 15 0.70955 0.013392 . . 154 GLU N 51418 2 75 . 1 1 112 112 LYS N N 15 0.71469 0.013595 . . 155 LYS N 51418 2 76 . 1 1 113 113 LEU N N 15 0.68219 0.012844 . . 156 LEU N 51418 2 77 . 1 1 114 114 PHE N N 15 0.64834 0.014365 . . 157 PHE N 51418 2 78 . 1 1 116 116 GLN N N 15 0.69632 0.01147 . . 159 GLN N 51418 2 79 . 1 1 117 117 LYS N N 15 0.66523 0.015474 . . 160 LYS N 51418 2 80 . 1 1 118 118 ILE N N 15 0.68028 0.01613 . . 161 ILE N 51418 2 81 . 1 1 119 119 ASN N N 15 0.74006 0.011876 . . 162 ASN N 51418 2 82 . 1 1 121 121 LEU N N 15 0.70548 0.011099 . . 164 LEU N 51418 2 83 . 1 1 132 132 GLN N N 15 1.0706 0.025425 . . 175 GLN N 51418 2 84 . 1 1 143 143 THR N N 15 1.3838 0.090152 . . 186 THR N 51418 2 85 . 1 1 144 144 GLY N N 15 1.2569 0.24178 . . 187 GLY N 51418 2 86 . 1 1 145 145 THR N N 15 1.1127 0.058164 . . 188 THR N 51418 2 87 . 1 1 146 146 ALA N N 15 1.1485 0.028073 . . 189 ALA N 51418 2 88 . 1 1 149 149 GLY N N 15 1.098 0.023164 . . 192 GLY N 51418 2 89 . 1 1 151 151 SER N N 15 1.2993 0.010875 . . 194 SER N 51418 2 90 . 1 1 153 153 VAL N N 15 1.2448 0.0059496 . . 196 VAL N 51418 2 91 . 1 1 155 155 ASN N N 15 1.0703 0.034566 . . 198 ASN N 51418 2 92 . 1 1 156 156 THR N N 15 1.1375 0.026127 . . 199 THR N 51418 2 93 . 1 1 158 158 GLN N N 15 1.2014 0.033223 . . 201 GLN N 51418 2 94 . 1 1 159 159 ALA N N 15 1.1052 0.019277 . . 202 ALA N 51418 2 95 . 1 1 160 160 SER N N 15 0.97404 0.040449 . . 203 SER N 51418 2 96 . 1 1 161 161 THR N N 15 1.0717 0.015446 . . 204 THR N 51418 2 97 . 1 1 167 167 THR N N 15 1.0576 0.014975 . . 210 THR N 51418 2 98 . 1 1 184 184 ALA N N 15 1.1943 0.0097143 . . 227 ALA N 51418 2 99 . 1 1 185 185 VAL N N 15 1.1598 0.007208 . . 228 VAL N 51418 2 100 . 1 1 186 186 THR N N 15 1.2709 0.0074119 . . 229 THR N 51418 2 101 . 1 1 188 188 ASP N N 15 1.3339 0.0058261 . . 231 ASP N 51418 2 102 . 1 1 190 190 ILE N N 15 1.3073 0.004839 . . 233 ILE N 51418 2 103 . 1 1 191 191 VAL N N 15 1.3104 0.0050619 . . 234 VAL N 51418 2 104 . 1 1 192 192 GLN N N 15 1.2135 0.009342 . . 235 GLN N 51418 2 105 . 1 1 195 195 VAL N N 15 1.2372 0.0048645 . . 238 VAL N 51418 2 106 . 1 1 197 197 THR N N 15 1.1259 0.015667 . . 240 THR N 51418 2 107 . 1 1 198 198 VAL N N 15 1.1823 0.0078783 . . 241 VAL N 51418 2 108 . 1 1 199 199 VAL N N 15 1.2443 0.0053318 . . 242 VAL N 51418 2 109 . 1 1 206 206 THR N N 15 1.0921 0.011307 . . 249 THR N 51418 2 110 . 1 1 231 231 ILE N N 15 1.2335 0.0052112 . . 274 ILE N 51418 2 111 . 1 1 232 232 ILE N N 15 1.2217 0.0061183 . . 275 ILE N 51418 2 112 . 1 1 233 233 ALA N N 15 1.1431 0.0083938 . . 276 ALA N 51418 2 113 . 1 1 234 234 ALA N N 15 1.0981 0.0060971 . . 277 ALA N 51418 2 114 . 1 1 235 235 THR N N 15 1.3633 0.081436 . . 278 THR N 51418 2 115 . 1 1 243 243 LYS N N 15 1.3041 0.015826 . . 286 LYS N 51418 2 116 . 1 1 244 244 GLY N N 15 1.2866 0.055104 . . 287 GLY N 51418 2 117 . 1 1 249 249 ALA N N 15 1.3266 0.043369 . . 292 ALA N 51418 2 118 . 1 1 250 250 ASP N N 15 1.2129 0.016137 . . 293 ASP N 51418 2 119 . 1 1 251 251 THR N N 15 0.9281 0.023089 . . 294 THR N 51418 2 120 . 1 1 252 252 THR N N 15 0.94136 0.0073241 . . 295 THR N 51418 2 121 . 1 1 255 255 THR N N 15 1.2006 0.013517 . . 298 THR N 51418 2 122 . 1 1 256 256 THR N N 15 1.245 0.019056 . . 299 THR N 51418 2 123 . 1 1 257 257 ILE N N 15 1.2838 0.0075468 . . 300 ILE N 51418 2 124 . 1 1 258 258 ASP N N 15 1.3122 0.0073755 . . 301 ASP N 51418 2 125 . 1 1 260 260 ILE N N 15 1.374 0.0059163 . . 303 ILE N 51418 2 126 . 1 1 261 261 HIS N N 15 1.2747 0.019013 . . 304 HIS N 51418 2 127 . 1 1 265 265 SER N N 15 1.1693 0.01235 . . 308 SER N 51418 2 128 . 1 1 266 266 LEU N N 15 1.1836 0.0079184 . . 309 LEU N 51418 2 129 . 1 1 272 272 THR N N 15 0.76345 0.007435 . . 315 THR N 51418 2 130 . 1 1 275 275 LEU N N 15 1.2433 0.055907 . . 318 LEU N 51418 2 131 . 1 1 289 289 LYS N N 15 1.2903 0.011537 . . 332 LYS N 51418 2 132 . 1 1 290 290 LYS N N 15 1.2746 0.024563 . . 333 LYS N 51418 2 133 . 1 1 291 291 ASP N N 15 1.2728 0.020442 . . 334 ASP N 51418 2 134 . 1 1 292 292 VAL N N 15 1.2538 0.0064083 . . 335 VAL N 51418 2 135 . 1 1 295 295 SER N N 15 1.2478 0.029661 . . 338 SER N 51418 2 136 . 1 1 300 300 ALA N N 15 1.1861 0.0095638 . . 343 ALA N 51418 2 137 . 1 1 302 302 GLU N N 15 1.1774 0.011278 . . 345 GLU N 51418 2 138 . 1 1 304 304 SER N N 15 1.1443 0.078829 . . 347 SER N 51418 2 139 . 1 1 307 307 VAL N N 15 0.87112 0.012673 . . 350 VAL N 51418 2 140 . 1 1 308 308 SER N N 15 0.79145 0.017444 . . 351 SER N 51418 2 141 . 1 1 309 309 GLU N N 15 0.8451 0.051022 . . 352 GLU N 51418 2 142 . 1 1 310 310 GLN N N 15 0.73154 0.027873 . . 353 GLN N 51418 2 143 . 1 1 311 311 LEU N N 15 0.65507 0.019671 . . 354 LEU N 51418 2 144 . 1 1 312 312 LYS N N 15 0.68106 0.014726 . . 355 LYS N 51418 2 145 . 1 1 313 313 CYS N N 15 0.73427 0.011429 . . 356 CYS N 51418 2 146 . 1 1 316 316 GLY N N 15 0.6922 0.016399 . . 359 GLY N 51418 2 147 . 1 1 317 317 ILE N N 15 0.69845 0.01737 . . 360 ILE N 51418 2 148 . 1 1 319 319 LYS N N 15 0.63386 0.013308 . . 362 LYS N 51418 2 149 . 1 1 320 320 GLU N N 15 0.68662 0.014232 . . 363 GLU N 51418 2 150 . 1 1 321 321 MET N N 15 0.67661 0.015867 . . 364 MET N 51418 2 151 . 1 1 322 322 PHE N N 15 0.58726 0.013452 . . 365 PHE N 51418 2 152 . 1 1 327 327 ALA N N 15 0.70527 0.014745 . . 370 ALA N 51418 2 153 . 1 1 329 329 TYR N N 15 0.64421 0.039378 . . 372 TYR N 51418 2 154 . 1 1 331 331 TRP N N 15 0.73538 0.014807 . . 374 TRP N 51418 2 155 . 1 1 333 333 PHE N N 15 0.76465 0.017223 . . 376 PHE N 51418 2 156 . 1 1 334 334 TYR N N 15 0.6592 0.017675 . . 377 TYR N 51418 2 157 . 1 1 335 335 LYS N N 15 0.67786 0.013232 . . 378 LYS N 51418 2 158 . 1 1 337 337 VAL N N 15 0.68999 0.0080159 . . 380 VAL N 51418 2 159 . 1 1 338 338 ASP N N 15 0.78762 0.009105 . . 381 ASP N 51418 2 160 . 1 1 339 339 VAL N N 15 0.65237 0.0088432 . . 382 VAL N 51418 2 161 . 1 1 341 341 ALA N N 15 0.68025 0.010571 . . 384 ALA N 51418 2 162 . 1 1 343 343 GLY N N 15 0.7378 0.044189 . . 386 GLY N 51418 2 163 . 1 1 344 344 LEU N N 15 0.73611 0.010311 . . 387 LEU N 51418 2 164 . 1 1 347 347 TYR N N 15 0.72126 0.016314 . . 390 TYR N 51418 2 165 . 1 1 348 348 CYS N N 15 0.68102 0.014976 . . 391 CYS N 51418 2 166 . 1 1 349 349 ASP N N 15 0.74242 0.029572 . . 392 ASP N 51418 2 167 . 1 1 350 350 ILE N N 15 0.69251 0.01887 . . 393 ILE N 51418 2 168 . 1 1 351 351 ILE N N 15 1.4608 0.20823 . . 394 ILE N 51418 2 169 . 1 1 356 356 ASP N N 15 0.66216 0.0090998 . . 399 ASP N 51418 2 170 . 1 1 357 357 MET N N 15 0.62978 0.011896 . . 400 MET N 51418 2 171 . 1 1 358 358 SER N N 15 0.63882 0.014073 . . 401 SER N 51418 2 172 . 1 1 360 360 ILE N N 15 0.65153 0.014597 . . 403 ILE N 51418 2 173 . 1 1 361 361 LYS N N 15 0.65386 0.013965 . . 404 LYS N 51418 2 174 . 1 1 362 362 SER N N 15 0.59729 0.012058 . . 405 SER N 51418 2 175 . 1 1 364 364 LEU N N 15 0.64666 0.016955 . . 407 LEU N 51418 2 176 . 1 1 365 365 GLU N N 15 0.64848 0.01466 . . 408 GLU N 51418 2 177 . 1 1 366 366 ALA N N 15 0.66301 0.014613 . . 409 ALA N 51418 2 178 . 1 1 367 367 ARG N N 15 0.76155 0.015352 . . 410 ARG N 51418 2 179 . 1 1 369 369 TYR N N 15 0.6868 0.010967 . . 412 TYR N 51418 2 180 . 1 1 370 370 ARG N N 15 0.64247 0.01243 . . 413 ARG N 51418 2 181 . 1 1 371 371 ASP N N 15 0.61518 0.013008 . . 414 ASP N 51418 2 182 . 1 1 372 372 ALA N N 15 0.6346 0.012062 . . 415 ALA N 51418 2 183 . 1 1 373 373 GLN N N 15 0.63617 0.017128 . . 416 GLN N 51418 2 184 . 1 1 375 375 PHE N N 15 0.60151 0.017701 . . 418 PHE N 51418 2 185 . 1 1 376 376 GLY N N 15 0.6282 0.027761 . . 419 GLY N 51418 2 186 . 1 1 377 377 ALA N N 15 1.2302 0.051297 . . 420 ALA N 51418 2 187 . 1 1 378 378 ASP N N 15 0.62547 0.016414 . . 421 ASP N 51418 2 188 . 1 1 379 379 VAL N N 15 0.59998 0.018034 . . 422 VAL N 51418 2 189 . 1 1 380 380 ARG N N 15 0.6171 0.028204 . . 423 ARG N 51418 2 190 . 1 1 382 382 MET N N 15 0.62072 0.024899 . . 425 MET N 51418 2 191 . 1 1 383 383 PHE N N 15 0.60544 0.02534 . . 426 PHE N 51418 2 192 . 1 1 386 386 CYS N N 15 0.63929 0.01722 . . 429 CYS N 51418 2 193 . 1 1 390 390 ASN N N 15 0.70491 0.062809 . . 433 ASN N 51418 2 194 . 1 1 393 393 ASP N N 15 0.70725 0.02074 . . 436 ASP N 51418 2 195 . 1 1 394 394 HIS N N 15 0.80116 0.041249 . . 437 HIS N 51418 2 196 . 1 1 395 395 GLU N N 15 0.62438 0.015409 . . 438 GLU N 51418 2 197 . 1 1 396 396 VAL N N 15 0.71871 0.13235 . . 439 VAL N 51418 2 198 . 1 1 397 397 VAL N N 15 0.64509 0.019482 . . 440 VAL N 51418 2 199 . 1 1 398 398 ALA N N 15 0.64167 0.039127 . . 441 ALA N 51418 2 200 . 1 1 399 399 MET N N 15 0.63482 0.016193 . . 442 MET N 51418 2 201 . 1 1 400 400 ALA N N 15 0.60356 0.029934 . . 443 ALA N 51418 2 202 . 1 1 402 402 LYS N N 15 0.58326 0.052731 . . 445 LYS N 51418 2 203 . 1 1 404 404 GLN N N 15 0.69968 0.085815 . . 447 GLN N 51418 2 204 . 1 1 407 407 PHE N N 15 0.61709 0.022004 . . 450 PHE N 51418 2 205 . 1 1 408 408 GLU N N 15 0.65187 0.06602 . . 451 GLU N 51418 2 206 . 1 1 410 410 ARG N N 15 0.62275 0.057026 . . 453 ARG N 51418 2 207 . 1 1 411 411 PHE N N 15 0.58397 0.058226 . . 454 PHE N 51418 2 208 . 1 1 412 412 ALA N N 15 0.68142 0.015534 . . 455 ALA N 51418 2 209 . 1 1 417 417 GLU N N 15 1.1424 0.01254 . . 460 GLU N 51418 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 51418 _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' . . . 51418 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 . . 51418 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 3.1665 0.021506 . . . . 49 GLU N 51418 1 2 . 1 1 12 12 LYS N N 15 12.8433 0.22658 . . . . 55 LYS N 51418 1 3 . 1 1 14 14 LYS N N 15 3.8682 0.17802 . . . . 57 LYS N 51418 1 4 . 1 1 15 15 ARG N N 15 3.2337 0.19495 . . . . 58 ARG N 51418 1 5 . 1 1 17 17 THR N N 15 2.179 0.1419 . . . . 60 THR N 51418 1 6 . 1 1 20 20 LEU N N 15 28.8116 1.4245 . . . . 63 LEU N 51418 1 7 . 1 1 21 21 GLN N N 15 25.998 0.54472 . . . . 64 GLN N 51418 1 8 . 1 1 22 22 TYR N N 15 19.4999 0.36089 . . . . 65 TYR N 51418 1 9 . 1 1 24 24 LEU N N 15 21.7954 0.54524 . . . . 67 LEU N 51418 1 10 . 1 1 25 25 ARG N N 15 21.099 0.57175 . . . . 68 ARG N 51418 1 11 . 1 1 26 26 VAL N N 15 20.7379 0.67585 . . . . 69 VAL N 51418 1 12 . 1 1 27 27 VAL N N 15 22.461 0.62904 . . . . 70 VAL N 51418 1 13 . 1 1 28 28 LEU N N 15 22.0392 0.52287 . . . . 71 LEU N 51418 1 14 . 1 1 29 29 LYS N N 15 20.2022 0.68904 . . . . 72 LYS N 51418 1 15 . 1 1 30 30 THR N N 15 19.2164 0.41997 . . . . 73 THR N 51418 1 16 . 1 1 32 32 TRP N N 15 22.479 0.49391 . . . . 75 TRP N 51418 1 17 . 1 1 33 33 LYS N N 15 20.4543 0.47889 . . . . 76 LYS N 51418 1 18 . 1 1 35 35 GLN N N 15 19.5701 0.42937 . . . . 78 GLN N 51418 1 19 . 1 1 36 36 PHE N N 15 18.2396 0.50195 . . . . 79 PHE N 51418 1 20 . 1 1 37 37 ALA N N 15 20.6824 0.33315 . . . . 80 ALA N 51418 1 21 . 1 1 38 38 TRP N N 15 18.0048 0.19252 . . . . 81 TRP N 51418 1 22 . 1 1 40 40 PHE N N 15 17.2216 0.36325 . . . . 83 PHE N 51418 1 23 . 1 1 42 42 GLN N N 15 21.3737 0.3402 . . . . 85 GLN N 51418 1 24 . 1 1 44 44 VAL N N 15 18.7468 0.21487 . . . . 87 VAL N 51418 1 25 . 1 1 45 45 ASP N N 15 21.595 0.53761 . . . . 88 ASP N 51418 1 26 . 1 1 46 46 ALA N N 15 21.1059 0.48645 . . . . 89 ALA N 51418 1 27 . 1 1 47 47 VAL N N 15 23.714 0.63691 . . . . 90 VAL N 51418 1 28 . 1 1 48 48 LYS N N 15 19.715 0.45504 . . . . 91 LYS N 51418 1 29 . 1 1 50 50 ASN N N 15 19.2678 0.27144 . . . . 93 ASN N 51418 1 30 . 1 1 51 51 LEU N N 15 21.4337 0.38572 . . . . 94 LEU N 51418 1 31 . 1 1 55 55 TYR N N 15 20.0002 0.58742 . . . . 98 TYR N 51418 1 32 . 1 1 56 56 LYS N N 15 18.6177 0.51278 . . . . 99 LYS N 51418 1 33 . 1 1 57 57 ILE N N 15 16.973 0.45852 . . . . 100 ILE N 51418 1 34 . 1 1 59 59 LYS N N 15 19.2886 0.27946 . . . . 102 LYS N 51418 1 35 . 1 1 60 60 THR N N 15 19.733 0.34746 . . . . 103 THR N 51418 1 36 . 1 1 62 62 MET N N 15 28.1103 1.0687 . . . . 105 MET N 51418 1 37 . 1 1 63 63 ASP N N 15 21.49 0.27215 . . . . 106 ASP N 51418 1 38 . 1 1 64 64 MET N N 15 23.3168 0.46996 . . . . 107 MET N 51418 1 39 . 1 1 65 65 GLY N N 15 24.0145 0.72254 . . . . 108 GLY N 51418 1 40 . 1 1 67 67 ILE N N 15 24.4762 0.57061 . . . . 110 ILE N 51418 1 41 . 1 1 68 68 LYS N N 15 28.5171 0.74189 . . . . 111 LYS N 51418 1 42 . 1 1 69 69 LYS N N 15 25.6655 0.68489 . . . . 112 LYS N 51418 1 43 . 1 1 70 70 ARG N N 15 23.709 0.91693 . . . . 113 ARG N 51418 1 44 . 1 1 71 71 LEU N N 15 24.2706 0.6958 . . . . 114 LEU N 51418 1 45 . 1 1 72 72 GLU N N 15 25.5401 0.76999 . . . . 115 GLU N 51418 1 46 . 1 1 73 73 ASN N N 15 18.1401 0.54594 . . . . 116 ASN N 51418 1 47 . 1 1 75 75 TYR N N 15 23.9973 0.65554 . . . . 118 TYR N 51418 1 48 . 1 1 76 76 TYR N N 15 18.0286 0.30392 . . . . 119 TYR N 51418 1 49 . 1 1 77 77 TRP N N 15 23.8906 0.75966 . . . . 120 TRP N 51418 1 50 . 1 1 78 78 ASN N N 15 33.0017 2.0734 . . . . 121 ASN N 51418 1 51 . 1 1 79 79 ALA N N 15 21.5589 0.75778 . . . . 122 ALA N 51418 1 52 . 1 1 82 82 CYS N N 15 21.6563 0.70383 . . . . 125 CYS N 51418 1 53 . 1 1 83 83 ILE N N 15 18.9343 0.5057 . . . . 126 ILE N 51418 1 54 . 1 1 84 84 GLN N N 15 25.9071 0.64184 . . . . 127 GLN N 51418 1 55 . 1 1 85 85 ASP N N 15 23.3125 0.51435 . . . . 128 ASP N 51418 1 56 . 1 1 87 87 ASN N N 15 22.9303 0.48307 . . . . 130 ASN N 51418 1 57 . 1 1 88 88 THR N N 15 23.5397 0.51776 . . . . 131 THR N 51418 1 58 . 1 1 89 89 MET N N 15 24.7409 0.50438 . . . . 132 MET N 51418 1 59 . 1 1 90 90 PHE N N 15 24.1363 0.55818 . . . . 133 PHE N 51418 1 60 . 1 1 91 91 THR N N 15 23.9196 0.61758 . . . . 134 THR N 51418 1 61 . 1 1 92 92 ASN N N 15 24.7769 0.5133 . . . . 135 ASN N 51418 1 62 . 1 1 94 94 TYR N N 15 25.7041 0.59255 . . . . 137 TYR N 51418 1 63 . 1 1 95 95 ILE N N 15 23.5301 0.61088 . . . . 138 ILE N 51418 1 64 . 1 1 97 97 ASN N N 15 20.4398 0.40388 . . . . 140 ASN N 51418 1 65 . 1 1 100 100 GLY N N 15 19.2199 0.20394 . . . . 143 GLY N 51418 1 66 . 1 1 102 102 ASP N N 15 19.3169 0.21726 . . . . 145 ASP N 51418 1 67 . 1 1 103 103 ILE N N 15 20.8767 0.27072 . . . . 146 ILE N 51418 1 68 . 1 1 104 104 VAL N N 15 23.5383 0.64681 . . . . 147 VAL N 51418 1 69 . 1 1 105 105 LEU N N 15 20.5938 0.52355 . . . . 148 LEU N 51418 1 70 . 1 1 106 106 MET N N 15 17.0804 0.40657 . . . . 149 MET N 51418 1 71 . 1 1 108 108 GLU N N 15 22.653 0.51492 . . . . 151 GLU N 51418 1 72 . 1 1 109 109 ALA N N 15 22.1196 0.45121 . . . . 152 ALA N 51418 1 73 . 1 1 110 110 LEU N N 15 24.9286 0.8701 . . . . 153 LEU N 51418 1 74 . 1 1 111 111 GLU N N 15 23.3956 0.61518 . . . . 154 GLU N 51418 1 75 . 1 1 112 112 LYS N N 15 22.4758 0.53028 . . . . 155 LYS N 51418 1 76 . 1 1 113 113 LEU N N 15 22.5256 0.60943 . . . . 156 LEU N 51418 1 77 . 1 1 114 114 PHE N N 15 22.758 0.70621 . . . . 157 PHE N 51418 1 78 . 1 1 116 116 GLN N N 15 20.178 0.38683 . . . . 159 GLN N 51418 1 79 . 1 1 117 117 LYS N N 15 26.9248 0.88949 . . . . 160 LYS N 51418 1 80 . 1 1 118 118 ILE N N 15 24.8758 0.70184 . . . . 161 ILE N 51418 1 81 . 1 1 119 119 ASN N N 15 22.7571 0.4462 . . . . 162 ASN N 51418 1 82 . 1 1 121 121 LEU N N 15 21.4627 0.4202 . . . . 164 LEU N 51418 1 83 . 1 1 132 132 GLN N N 15 7.8764 0.25464 . . . . 175 GLN N 51418 1 84 . 1 1 143 143 THR N N 15 2.8885 0.66406 . . . . 186 THR N 51418 1 85 . 1 1 144 144 GLY N N 15 5.3854 4.0367 . . . . 187 GLY N 51418 1 86 . 1 1 145 145 THR N N 15 2.1644 0.44372 . . . . 188 THR N 51418 1 87 . 1 1 146 146 ALA N N 15 2.4616 0.15959 . . . . 189 ALA N 51418 1 88 . 1 1 149 149 GLY N N 15 2.349 0.12058 . . . . 192 GLY N 51418 1 89 . 1 1 151 151 SER N N 15 3.5385 0.043401 . . . . 194 SER N 51418 1 90 . 1 1 153 153 VAL N N 15 2.2338 0.022418 . . . . 196 VAL N 51418 1 91 . 1 1 155 155 ASN N N 15 2.6906 0.26123 . . . . 198 ASN N 51418 1 92 . 1 1 156 156 THR N N 15 2.1859 0.16835 . . . . 199 THR N 51418 1 93 . 1 1 158 158 GLN N N 15 1.9678 0.22313 . . . . 201 GLN N 51418 1 94 . 1 1 159 159 ALA N N 15 2.8463 0.091943 . . . . 202 ALA N 51418 1 95 . 1 1 160 160 SER N N 15 2.4549 0.45503 . . . . 203 SER N 51418 1 96 . 1 1 161 161 THR N N 15 2.5905 0.10233 . . . . 204 THR N 51418 1 97 . 1 1 167 167 THR N N 15 2.7935 0.088373 . . . . 210 THR N 51418 1 98 . 1 1 184 184 ALA N N 15 2.4547 0.034068 . . . . 227 ALA N 51418 1 99 . 1 1 185 185 VAL N N 15 2.3844 0.02733 . . . . 228 VAL N 51418 1 100 . 1 1 186 186 THR N N 15 2.8415 0.030943 . . . . 229 THR N 51418 1 101 . 1 1 188 188 ASP N N 15 2.6876 0.01935 . . . . 231 ASP N 51418 1 102 . 1 1 190 190 ILE N N 15 2.4161 0.016844 . . . . 233 ILE N 51418 1 103 . 1 1 191 191 VAL N N 15 2.5346 0.017354 . . . . 234 VAL N 51418 1 104 . 1 1 192 192 GLN N N 15 2.765 0.036974 . . . . 235 GLN N 51418 1 105 . 1 1 195 195 VAL N N 15 2.4237 0.016583 . . . . 238 VAL N 51418 1 106 . 1 1 197 197 THR N N 15 2.7773 0.088351 . . . . 240 THR N 51418 1 107 . 1 1 198 198 VAL N N 15 2.7566 0.0312 . . . . 241 VAL N 51418 1 108 . 1 1 199 199 VAL N N 15 2.9162 0.018858 . . . . 242 VAL N 51418 1 109 . 1 1 206 206 THR N N 15 3.2558 0.060774 . . . . 249 THR N 51418 1 110 . 1 1 231 231 ILE N N 15 2.5735 0.017405 . . . . 274 ILE N 51418 1 111 . 1 1 232 232 ILE N N 15 2.8636 0.022338 . . . . 275 ILE N 51418 1 112 . 1 1 233 233 ALA N N 15 2.6224 0.03664 . . . . 276 ALA N 51418 1 113 . 1 1 234 234 ALA N N 15 2.9457 0.031688 . . . . 277 ALA N 51418 1 114 . 1 1 235 235 THR N N 15 2.6903 0.23894 . . . . 278 THR N 51418 1 115 . 1 1 243 243 LYS N N 15 3.1808 0.07286 . . . . 286 LYS N 51418 1 116 . 1 1 244 244 GLY N N 15 2.7787 0.32327 . . . . 287 GLY N 51418 1 117 . 1 1 249 249 ALA N N 15 3.3495 0.28302 . . . . 292 ALA N 51418 1 118 . 1 1 250 250 ASP N N 15 2.4552 0.10156 . . . . 293 ASP N 51418 1 119 . 1 1 251 251 THR N N 15 11.1592 0.37413 . . . . 294 THR N 51418 1 120 . 1 1 252 252 THR N N 15 6.315 0.0908 . . . . 295 THR N 51418 1 121 . 1 1 255 255 THR N N 15 2.5618 0.063287 . . . . 298 THR N 51418 1 122 . 1 1 256 256 THR N N 15 2.4542 0.10813 . . . . 299 THR N 51418 1 123 . 1 1 257 257 ILE N N 15 2.7958 0.029015 . . . . 300 ILE N 51418 1 124 . 1 1 258 258 ASP N N 15 2.8386 0.022885 . . . . 301 ASP N 51418 1 125 . 1 1 260 260 ILE N N 15 2.9867 0.020323 . . . . 303 ILE N 51418 1 126 . 1 1 261 261 HIS N N 15 3.4217 0.097431 . . . . 304 HIS N 51418 1 127 . 1 1 265 265 SER N N 15 2.9275 0.052628 . . . . 308 SER N 51418 1 128 . 1 1 266 266 LEU N N 15 3.0992 0.028835 . . . . 309 LEU N 51418 1 129 . 1 1 272 272 THR N N 15 16.4312 0.18782 . . . . 315 THR N 51418 1 130 . 1 1 275 275 LEU N N 15 2.9046 0.27042 . . . . 318 LEU N 51418 1 131 . 1 1 289 289 LYS N N 15 3.5472 0.048442 . . . . 332 LYS N 51418 1 132 . 1 1 290 290 LYS N N 15 3.3715 0.12223 . . . . 333 LYS N 51418 1 133 . 1 1 291 291 ASP N N 15 2.7961 0.11078 . . . . 334 ASP N 51418 1 134 . 1 1 292 292 VAL N N 15 2.7769 0.022117 . . . . 335 VAL N 51418 1 135 . 1 1 295 295 SER N N 15 3.4065 0.18389 . . . . 338 SER N 51418 1 136 . 1 1 300 300 ALA N N 15 3.7896 0.042572 . . . . 343 ALA N 51418 1 137 . 1 1 302 302 GLU N N 15 4.6938 0.052201 . . . . 345 GLU N 51418 1 138 . 1 1 304 304 SER N N 15 7.7662 1.4441 . . . . 347 SER N 51418 1 139 . 1 1 307 307 VAL N N 15 21.9173 0.47742 . . . . 350 VAL N 51418 1 140 . 1 1 308 308 SER N N 15 25.5645 0.89706 . . . . 351 SER N 51418 1 141 . 1 1 309 309 GLU N N 15 26.8127 1.8557 . . . . 352 GLU N 51418 1 142 . 1 1 310 310 GLN N N 15 26.1999 1.2795 . . . . 353 GLN N 51418 1 143 . 1 1 311 311 LEU N N 15 33.9967 1.4282 . . . . 354 LEU N 51418 1 144 . 1 1 312 312 LYS N N 15 24.1083 0.77945 . . . . 355 LYS N 51418 1 145 . 1 1 313 313 CYS N N 15 19.0709 0.41317 . . . . 356 CYS N 51418 1 146 . 1 1 316 316 GLY N N 15 26.4947 1.0047 . . . . 359 GLY N 51418 1 147 . 1 1 317 317 ILE N N 15 22.4989 0.73087 . . . . 360 ILE N 51418 1 148 . 1 1 319 319 LYS N N 15 21.4837 0.59089 . . . . 362 LYS N 51418 1 149 . 1 1 320 320 GLU N N 15 24.2786 0.77916 . . . . 363 GLU N 51418 1 150 . 1 1 321 321 MET N N 15 29.8265 1.1835 . . . . 364 MET N 51418 1 151 . 1 1 322 322 PHE N N 15 27.4904 0.95913 . . . . 365 PHE N 51418 1 152 . 1 1 327 327 ALA N N 15 23.4852 0.67024 . . . . 370 ALA N 51418 1 153 . 1 1 329 329 TYR N N 15 24.407 2.478 . . . . 372 TYR N 51418 1 154 . 1 1 331 331 TRP N N 15 22.2542 0.66586 . . . . 374 TRP N 51418 1 155 . 1 1 333 333 PHE N N 15 24.3586 0.6719 . . . . 376 PHE N 51418 1 156 . 1 1 334 334 TYR N N 15 25.7303 0.97712 . . . . 377 TYR N 51418 1 157 . 1 1 335 335 LYS N N 15 24.8832 0.56602 . . . . 378 LYS N 51418 1 158 . 1 1 337 337 VAL N N 15 24.631 0.34192 . . . . 380 VAL N 51418 1 159 . 1 1 338 338 ASP N N 15 21.542 0.2701 . . . . 381 ASP N 51418 1 160 . 1 1 339 339 VAL N N 15 21.4438 0.37027 . . . . 382 VAL N 51418 1 161 . 1 1 341 341 ALA N N 15 22.5195 0.46966 . . . . 384 ALA N 51418 1 162 . 1 1 343 343 GLY N N 15 21.8537 1.2346 . . . . 386 GLY N 51418 1 163 . 1 1 344 344 LEU N N 15 20.7154 0.3673 . . . . 387 LEU N 51418 1 164 . 1 1 347 347 TYR N N 15 24.1221 0.58459 . . . . 390 TYR N 51418 1 165 . 1 1 348 348 CYS N N 15 25.8308 0.7098 . . . . 391 CYS N 51418 1 166 . 1 1 349 349 ASP N N 15 23.4923 1.1366 . . . . 392 ASP N 51418 1 167 . 1 1 350 350 ILE N N 15 19.182 0.7041 . . . . 393 ILE N 51418 1 168 . 1 1 351 351 ILE N N 15 4.016 0.6763 . . . . 394 ILE N 51418 1 169 . 1 1 356 356 ASP N N 15 24.302 0.48536 . . . . 399 ASP N 51418 1 170 . 1 1 357 357 MET N N 15 25.8069 0.63812 . . . . 400 MET N 51418 1 171 . 1 1 358 358 SER N N 15 25.9444 0.90152 . . . . 401 SER N 51418 1 172 . 1 1 360 360 ILE N N 15 28.7233 0.98006 . . . . 403 ILE N 51418 1 173 . 1 1 361 361 LYS N N 15 30.1723 1.1628 . . . . 404 LYS N 51418 1 174 . 1 1 362 362 SER N N 15 28.6687 0.80631 . . . . 405 SER N 51418 1 175 . 1 1 364 364 LEU N N 15 24.4483 0.90545 . . . . 407 LEU N 51418 1 176 . 1 1 365 365 GLU N N 15 27.2493 0.90357 . . . . 408 GLU N 51418 1 177 . 1 1 366 366 ALA N N 15 26.7553 0.86929 . . . . 409 ALA N 51418 1 178 . 1 1 367 367 ARG N N 15 24.1182 0.66652 . . . . 410 ARG N 51418 1 179 . 1 1 369 369 TYR N N 15 19.3431 0.38353 . . . . 412 TYR N 51418 1 180 . 1 1 370 370 ARG N N 15 24.2519 0.61097 . . . . 413 ARG N 51418 1 181 . 1 1 371 371 ASP N N 15 23.118 0.6528 . . . . 414 ASP N 51418 1 182 . 1 1 372 372 ALA N N 15 26.8365 0.70266 . . . . 415 ALA N 51418 1 183 . 1 1 373 373 GLN N N 15 26.5907 1.1091 . . . . 416 GLN N 51418 1 184 . 1 1 375 375 PHE N N 15 28.6132 1.4396 . . . . 418 PHE N 51418 1 185 . 1 1 376 376 GLY N N 15 28.1056 1.5778 . . . . 419 GLY N 51418 1 186 . 1 1 377 377 ALA N N 15 2.8633 0.17499 . . . . 420 ALA N 51418 1 187 . 1 1 378 378 ASP N N 15 26.6915 1.2325 . . . . 421 ASP N 51418 1 188 . 1 1 379 379 VAL N N 15 25.7167 1.2486 . . . . 422 VAL N 51418 1 189 . 1 1 380 380 ARG N N 15 28.7594 1.8713 . . . . 423 ARG N 51418 1 190 . 1 1 382 382 MET N N 15 27.4183 1.6103 . . . . 425 MET N 51418 1 191 . 1 1 383 383 PHE N N 15 30.4108 1.9958 . . . . 426 PHE N 51418 1 192 . 1 1 386 386 CYS N N 15 27.3037 1.2044 . . . . 429 CYS N 51418 1 193 . 1 1 390 390 ASN N N 15 37.0335 4.0502 . . . . 433 ASN N 51418 1 194 . 1 1 393 393 ASP N N 15 23.4379 0.87948 . . . . 436 ASP N 51418 1 195 . 1 1 394 394 HIS N N 15 28.9147 1.9476 . . . . 437 HIS N 51418 1 196 . 1 1 395 395 GLU N N 15 25.8384 0.84445 . . . . 438 GLU N 51418 1 197 . 1 1 396 396 VAL N N 15 32.5429 4.6816 . . . . 439 VAL N 51418 1 198 . 1 1 397 397 VAL N N 15 31.5618 1.5743 . . . . 440 VAL N 51418 1 199 . 1 1 398 398 ALA N N 15 29.5281 2.7252 . . . . 441 ALA N 51418 1 200 . 1 1 399 399 MET N N 15 23.7198 0.87313 . . . . 442 MET N 51418 1 201 . 1 1 400 400 ALA N N 15 23.2985 1.4321 . . . . 443 ALA N 51418 1 202 . 1 1 402 402 LYS N N 15 31.5489 3.2494 . . . . 445 LYS N 51418 1 203 . 1 1 404 404 GLN N N 15 31.4757 5.4759 . . . . 447 GLN N 51418 1 204 . 1 1 407 407 PHE N N 15 31.2405 2.0564 . . . . 450 PHE N 51418 1 205 . 1 1 408 408 GLU N N 15 32.0136 3.6183 . . . . 451 GLU N 51418 1 206 . 1 1 410 410 ARG N N 15 24.3188 2.9801 . . . . 453 ARG N 51418 1 207 . 1 1 411 411 PHE N N 15 28.5979 3.592 . . . . 454 PHE N 51418 1 208 . 1 1 412 412 ALA N N 15 26.0002 0.82011 . . . . 455 ALA N 51418 1 209 . 1 1 417 417 GLU N N 15 5.2179 0.064215 . . . . 460 GLU N 51418 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 51418 _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' . . . 51418 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 . . 51418 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 3.7672 0.017762 . . . . 49 GLU N 51418 2 2 . 1 1 12 12 LYS N N 15 15.0417 0.27912 . . . . 55 LYS N 51418 2 3 . 1 1 14 14 LYS N N 15 4.181 0.11463 . . . . 57 LYS N 51418 2 4 . 1 1 15 15 ARG N N 15 3.2739 0.10943 . . . . 58 ARG N 51418 2 5 . 1 1 17 17 THR N N 15 3.2369 0.11803 . . . . 60 THR N 51418 2 6 . 1 1 20 20 LEU N N 15 33.8882 1.104 . . . . 63 LEU N 51418 2 7 . 1 1 21 21 GLN N N 15 25.7501 0.39176 . . . . 64 GLN N 51418 2 8 . 1 1 22 22 TYR N N 15 24.7599 0.40874 . . . . 65 TYR N 51418 2 9 . 1 1 24 24 LEU N N 15 24.9923 0.54968 . . . . 67 LEU N 51418 2 10 . 1 1 25 25 ARG N N 15 24.3831 0.69197 . . . . 68 ARG N 51418 2 11 . 1 1 26 26 VAL N N 15 22.7923 0.52897 . . . . 69 VAL N 51418 2 12 . 1 1 27 27 VAL N N 15 26.0672 0.65597 . . . . 70 VAL N 51418 2 13 . 1 1 28 28 LEU N N 15 27.4315 0.64426 . . . . 71 LEU N 51418 2 14 . 1 1 29 29 LYS N N 15 23.682 0.50308 . . . . 72 LYS N 51418 2 15 . 1 1 30 30 THR N N 15 22.6365 0.37693 . . . . 73 THR N 51418 2 16 . 1 1 32 32 TRP N N 15 26.7429 0.47807 . . . . 75 TRP N 51418 2 17 . 1 1 33 33 LYS N N 15 23.9047 0.45976 . . . . 76 LYS N 51418 2 18 . 1 1 35 35 GLN N N 15 23.5403 0.42096 . . . . 78 GLN N 51418 2 19 . 1 1 36 36 PHE N N 15 23.2857 0.63651 . . . . 79 PHE N 51418 2 20 . 1 1 37 37 ALA N N 15 25.5085 0.34645 . . . . 80 ALA N 51418 2 21 . 1 1 38 38 TRP N N 15 20.9744 0.2108 . . . . 81 TRP N 51418 2 22 . 1 1 40 40 PHE N N 15 22.1455 0.37883 . . . . 83 PHE N 51418 2 23 . 1 1 42 42 GLN N N 15 25.9113 0.39747 . . . . 85 GLN N 51418 2 24 . 1 1 44 44 VAL N N 15 22.8996 0.26192 . . . . 87 VAL N 51418 2 25 . 1 1 45 45 ASP N N 15 29.4377 0.87378 . . . . 88 ASP N 51418 2 26 . 1 1 46 46 ALA N N 15 32.7853 0.72862 . . . . 89 ALA N 51418 2 27 . 1 1 47 47 VAL N N 15 28.2869 0.59529 . . . . 90 VAL N 51418 2 28 . 1 1 48 48 LYS N N 15 28.2637 0.57698 . . . . 91 LYS N 51418 2 29 . 1 1 50 50 ASN N N 15 23.7102 0.30661 . . . . 93 ASN N 51418 2 30 . 1 1 51 51 LEU N N 15 26.9569 0.5058 . . . . 94 LEU N 51418 2 31 . 1 1 55 55 TYR N N 15 23.8739 0.92073 . . . . 98 TYR N 51418 2 32 . 1 1 56 56 LYS N N 15 23.8482 0.48465 . . . . 99 LYS N 51418 2 33 . 1 1 57 57 ILE N N 15 19.9305 0.413 . . . . 100 ILE N 51418 2 34 . 1 1 59 59 LYS N N 15 23.6224 0.33059 . . . . 102 LYS N 51418 2 35 . 1 1 60 60 THR N N 15 24.3886 0.42949 . . . . 103 THR N 51418 2 36 . 1 1 62 62 MET N N 15 33.6698 1.0077 . . . . 105 MET N 51418 2 37 . 1 1 63 63 ASP N N 15 26.1164 0.27683 . . . . 106 ASP N 51418 2 38 . 1 1 64 64 MET N N 15 28.8723 0.49488 . . . . 107 MET N 51418 2 39 . 1 1 65 65 GLY N N 15 27.4549 0.81893 . . . . 108 GLY N 51418 2 40 . 1 1 67 67 ILE N N 15 28.9658 0.53968 . . . . 110 ILE N 51418 2 41 . 1 1 68 68 LYS N N 15 30.7864 0.61488 . . . . 111 LYS N 51418 2 42 . 1 1 69 69 LYS N N 15 29.7826 0.69667 . . . . 112 LYS N 51418 2 43 . 1 1 70 70 ARG N N 15 30.4171 1.1853 . . . . 113 ARG N 51418 2 44 . 1 1 71 71 LEU N N 15 27.8793 0.66918 . . . . 114 LEU N 51418 2 45 . 1 1 72 72 GLU N N 15 31.8149 0.85857 . . . . 115 GLU N 51418 2 46 . 1 1 73 73 ASN N N 15 24.5601 0.67336 . . . . 116 ASN N 51418 2 47 . 1 1 75 75 TYR N N 15 31.3974 0.90516 . . . . 118 TYR N 51418 2 48 . 1 1 76 76 TYR N N 15 22.0317 0.33298 . . . . 119 TYR N 51418 2 49 . 1 1 77 77 TRP N N 15 30.2731 1.0973 . . . . 120 TRP N 51418 2 50 . 1 1 78 78 ASN N N 15 37.5734 5.1071 . . . . 121 ASN N 51418 2 51 . 1 1 79 79 ALA N N 15 25.1774 0.89999 . . . . 122 ALA N 51418 2 52 . 1 1 82 82 CYS N N 15 26.0601 0.60926 . . . . 125 CYS N 51418 2 53 . 1 1 83 83 ILE N N 15 23.0841 0.66969 . . . . 126 ILE N 51418 2 54 . 1 1 84 84 GLN N N 15 22.6365 0.41752 . . . . 127 GLN N 51418 2 55 . 1 1 85 85 ASP N N 15 27.5486 0.53095 . . . . 128 ASP N 51418 2 56 . 1 1 87 87 ASN N N 15 26.9915 0.53666 . . . . 130 ASN N 51418 2 57 . 1 1 88 88 THR N N 15 28.737 0.52015 . . . . 131 THR N 51418 2 58 . 1 1 89 89 MET N N 15 29.3096 0.49727 . . . . 132 MET N 51418 2 59 . 1 1 90 90 PHE N N 15 28.3202 0.56196 . . . . 133 PHE N 51418 2 60 . 1 1 91 91 THR N N 15 27.4968 0.62388 . . . . 134 THR N 51418 2 61 . 1 1 92 92 ASN N N 15 29.6382 0.52671 . . . . 135 ASN N 51418 2 62 . 1 1 94 94 TYR N N 15 28.9503 0.62542 . . . . 137 TYR N 51418 2 63 . 1 1 95 95 ILE N N 15 27.4932 0.67951 . . . . 138 ILE N 51418 2 64 . 1 1 97 97 ASN N N 15 24.1604 0.46973 . . . . 140 ASN N 51418 2 65 . 1 1 100 100 GLY N N 15 25.3884 0.2634 . . . . 143 GLY N 51418 2 66 . 1 1 102 102 ASP N N 15 23.1354 0.21018 . . . . 145 ASP N 51418 2 67 . 1 1 103 103 ILE N N 15 25.7188 0.34766 . . . . 146 ILE N 51418 2 68 . 1 1 104 104 VAL N N 15 28.8885 0.66224 . . . . 147 VAL N 51418 2 69 . 1 1 105 105 LEU N N 15 25.5815 0.59605 . . . . 148 LEU N 51418 2 70 . 1 1 106 106 MET N N 15 28.6896 0.5897 . . . . 149 MET N 51418 2 71 . 1 1 108 108 GLU N N 15 26.3625 0.55251 . . . . 151 GLU N 51418 2 72 . 1 1 109 109 ALA N N 15 26.0429 0.4578 . . . . 152 ALA N 51418 2 73 . 1 1 110 110 LEU N N 15 52.7137 2.282 . . . . 153 LEU N 51418 2 74 . 1 1 111 111 GLU N N 15 27.9294 0.60512 . . . . 154 GLU N 51418 2 75 . 1 1 112 112 LYS N N 15 26.024 0.60317 . . . . 155 LYS N 51418 2 76 . 1 1 113 113 LEU N N 15 26.8359 0.60896 . . . . 156 LEU N 51418 2 77 . 1 1 114 114 PHE N N 15 27.0121 0.71079 . . . . 157 PHE N 51418 2 78 . 1 1 116 116 GLN N N 15 24.6868 0.47201 . . . . 159 GLN N 51418 2 79 . 1 1 117 117 LYS N N 15 24.3677 0.55415 . . . . 160 LYS N 51418 2 80 . 1 1 118 118 ILE N N 15 29.6221 0.78748 . . . . 161 ILE N 51418 2 81 . 1 1 119 119 ASN N N 15 26.5512 0.52292 . . . . 162 ASN N 51418 2 82 . 1 1 121 121 LEU N N 15 27.6885 0.47361 . . . . 164 LEU N 51418 2 83 . 1 1 132 132 GLN N N 15 9.3239 0.20921 . . . . 175 GLN N 51418 2 84 . 1 1 143 143 THR N N 15 3.2767 0.41416 . . . . 186 THR N 51418 2 85 . 1 1 144 144 GLY N N 15 3.9788 0.97782 . . . . 187 GLY N 51418 2 86 . 1 1 145 145 THR N N 15 3.0283 0.24212 . . . . 188 THR N 51418 2 87 . 1 1 146 146 ALA N N 15 2.5704 0.10385 . . . . 189 ALA N 51418 2 88 . 1 1 149 149 GLY N N 15 2.7446 0.076687 . . . . 192 GLY N 51418 2 89 . 1 1 151 151 SER N N 15 4.2063 0.030543 . . . . 194 SER N 51418 2 90 . 1 1 153 153 VAL N N 15 2.7887 0.015012 . . . . 196 VAL N 51418 2 91 . 1 1 155 155 ASN N N 15 3.3311 0.14707 . . . . 198 ASN N 51418 2 92 . 1 1 156 156 THR N N 15 2.6065 0.082998 . . . . 199 THR N 51418 2 93 . 1 1 158 158 GLN N N 15 3.0509 0.11914 . . . . 201 GLN N 51418 2 94 . 1 1 159 159 ALA N N 15 2.5411 0.070311 . . . . 202 ALA N 51418 2 95 . 1 1 160 160 SER N N 15 3.0317 0.1831 . . . . 203 SER N 51418 2 96 . 1 1 161 161 THR N N 15 2.9499 0.051417 . . . . 204 THR N 51418 2 97 . 1 1 167 167 THR N N 15 3.0569 0.052393 . . . . 210 THR N 51418 2 98 . 1 1 184 184 ALA N N 15 3.0654 0.025644 . . . . 227 ALA N 51418 2 99 . 1 1 185 185 VAL N N 15 2.9902 0.018429 . . . . 228 VAL N 51418 2 100 . 1 1 186 186 THR N N 15 3.4143 0.01963 . . . . 229 THR N 51418 2 101 . 1 1 188 188 ASP N N 15 3.3317 0.014548 . . . . 231 ASP N 51418 2 102 . 1 1 190 190 ILE N N 15 2.9318 0.011663 . . . . 233 ILE N 51418 2 103 . 1 1 191 191 VAL N N 15 3.1502 0.013134 . . . . 234 VAL N 51418 2 104 . 1 1 192 192 GLN N N 15 3.2361 0.026532 . . . . 235 GLN N 51418 2 105 . 1 1 195 195 VAL N N 15 2.9859 0.012083 . . . . 238 VAL N 51418 2 106 . 1 1 197 197 THR N N 15 3.3396 0.052678 . . . . 240 THR N 51418 2 107 . 1 1 198 198 VAL N N 15 3.2958 0.019857 . . . . 241 VAL N 51418 2 108 . 1 1 199 199 VAL N N 15 3.4804 0.015228 . . . . 242 VAL N 51418 2 109 . 1 1 206 206 THR N N 15 3.8546 0.046917 . . . . 249 THR N 51418 2 110 . 1 1 231 231 ILE N N 15 3.1862 0.013832 . . . . 274 ILE N 51418 2 111 . 1 1 232 232 ILE N N 15 3.4386 0.018679 . . . . 275 ILE N 51418 2 112 . 1 1 233 233 ALA N N 15 3.2878 0.024708 . . . . 276 ALA N 51418 2 113 . 1 1 234 234 ALA N N 15 3.478 0.022788 . . . . 277 ALA N 51418 2 114 . 1 1 235 235 THR N N 15 3.4998 0.18841 . . . . 278 THR N 51418 2 115 . 1 1 243 243 LYS N N 15 3.7782 0.047583 . . . . 286 LYS N 51418 2 116 . 1 1 244 244 GLY N N 15 3.3013 0.19668 . . . . 287 GLY N 51418 2 117 . 1 1 249 249 ALA N N 15 3.597 0.15762 . . . . 292 ALA N 51418 2 118 . 1 1 250 250 ASP N N 15 3.43 0.055425 . . . . 293 ASP N 51418 2 119 . 1 1 251 251 THR N N 15 5.943 0.23665 . . . . 294 THR N 51418 2 120 . 1 1 252 252 THR N N 15 6.1348 0.05531 . . . . 295 THR N 51418 2 121 . 1 1 255 255 THR N N 15 3.0832 0.037659 . . . . 298 THR N 51418 2 122 . 1 1 256 256 THR N N 15 3.3657 0.056699 . . . . 299 THR N 51418 2 123 . 1 1 257 257 ILE N N 15 3.3387 0.019966 . . . . 300 ILE N 51418 2 124 . 1 1 258 258 ASP N N 15 3.3447 0.018175 . . . . 301 ASP N 51418 2 125 . 1 1 260 260 ILE N N 15 3.6283 0.014421 . . . . 303 ILE N 51418 2 126 . 1 1 261 261 HIS N N 15 4.2377 0.063765 . . . . 304 HIS N 51418 2 127 . 1 1 265 265 SER N N 15 3.572 0.039728 . . . . 308 SER N 51418 2 128 . 1 1 266 266 LEU N N 15 3.8406 0.022946 . . . . 309 LEU N 51418 2 129 . 1 1 272 272 THR N N 15 17.5023 0.15696 . . . . 315 THR N 51418 2 130 . 1 1 275 275 LEU N N 15 3.7221 0.17077 . . . . 318 LEU N 51418 2 131 . 1 1 289 289 LYS N N 15 4.3371 0.034085 . . . . 332 LYS N 51418 2 132 . 1 1 290 290 LYS N N 15 4.4822 0.085621 . . . . 333 LYS N 51418 2 133 . 1 1 291 291 ASP N N 15 3.9866 0.076598 . . . . 334 ASP N 51418 2 134 . 1 1 292 292 VAL N N 15 3.293 0.016864 . . . . 335 VAL N 51418 2 135 . 1 1 295 295 SER N N 15 3.6536 0.094054 . . . . 338 SER N 51418 2 136 . 1 1 300 300 ALA N N 15 4.3588 0.031417 . . . . 343 ALA N 51418 2 137 . 1 1 302 302 GLU N N 15 5.7117 0.04165 . . . . 345 GLU N 51418 2 138 . 1 1 304 304 SER N N 15 7.9615 0.57827 . . . . 347 SER N 51418 2 139 . 1 1 307 307 VAL N N 15 27.0202 0.43765 . . . . 350 VAL N 51418 2 140 . 1 1 308 308 SER N N 15 31.8568 0.87486 . . . . 351 SER N 51418 2 141 . 1 1 309 309 GLU N N 15 28.7579 2.1642 . . . . 352 GLU N 51418 2 142 . 1 1 310 310 GLN N N 15 33.0675 1.6574 . . . . 353 GLN N 51418 2 143 . 1 1 311 311 LEU N N 15 47.1995 2.038 . . . . 354 LEU N 51418 2 144 . 1 1 312 312 LYS N N 15 34.0566 0.86654 . . . . 355 LYS N 51418 2 145 . 1 1 313 313 CYS N N 15 32.3832 0.64567 . . . . 356 CYS N 51418 2 146 . 1 1 316 316 GLY N N 15 30.585 0.96624 . . . . 359 GLY N 51418 2 147 . 1 1 317 317 ILE N N 15 37.8224 1.2859 . . . . 360 ILE N 51418 2 148 . 1 1 319 319 LYS N N 15 31.3144 0.87627 . . . . 362 LYS N 51418 2 149 . 1 1 320 320 GLU N N 15 30.0052 0.7897 . . . . 363 GLU N 51418 2 150 . 1 1 321 321 MET N N 15 31.201 0.94263 . . . . 364 MET N 51418 2 151 . 1 1 322 322 PHE N N 15 31.6865 0.94173 . . . . 365 PHE N 51418 2 152 . 1 1 327 327 ALA N N 15 30.7876 0.82942 . . . . 370 ALA N 51418 2 153 . 1 1 329 329 TYR N N 15 31.0747 2.4598 . . . . 372 TYR N 51418 2 154 . 1 1 331 331 TRP N N 15 25.2072 0.60049 . . . . 374 TRP N 51418 2 155 . 1 1 333 333 PHE N N 15 16.2074 0.44771 . . . . 376 PHE N 51418 2 156 . 1 1 334 334 TYR N N 15 28.5807 0.91157 . . . . 377 TYR N 51418 2 157 . 1 1 335 335 LYS N N 15 27.9762 0.64963 . . . . 378 LYS N 51418 2 158 . 1 1 337 337 VAL N N 15 34.5185 0.52925 . . . . 380 VAL N 51418 2 159 . 1 1 338 338 ASP N N 15 26.7374 0.36728 . . . . 381 ASP N 51418 2 160 . 1 1 339 339 VAL N N 15 26.2903 0.44302 . . . . 382 VAL N 51418 2 161 . 1 1 341 341 ALA N N 15 26.9761 0.51188 . . . . 384 ALA N 51418 2 162 . 1 1 343 343 GLY N N 15 25.6505 1.5862 . . . . 386 GLY N 51418 2 163 . 1 1 344 344 LEU N N 15 24.9063 0.36431 . . . . 387 LEU N 51418 2 164 . 1 1 347 347 TYR N N 15 29.8 0.79115 . . . . 390 TYR N 51418 2 165 . 1 1 348 348 CYS N N 15 31.8592 1.0081 . . . . 391 CYS N 51418 2 166 . 1 1 349 349 ASP N N 15 29.4033 1.4485 . . . . 392 ASP N 51418 2 167 . 1 1 350 350 ILE N N 15 23.9786 0.70552 . . . . 393 ILE N 51418 2 168 . 1 1 351 351 ILE N N 15 3.9344 0.5867 . . . . 394 ILE N 51418 2 169 . 1 1 356 356 ASP N N 15 29.0974 0.44444 . . . . 399 ASP N 51418 2 170 . 1 1 357 357 MET N N 15 32.0894 0.66398 . . . . 400 MET N 51418 2 171 . 1 1 358 358 SER N N 15 30.3553 0.80426 . . . . 401 SER N 51418 2 172 . 1 1 360 360 ILE N N 15 33.8653 1.0804 . . . . 403 ILE N 51418 2 173 . 1 1 361 361 LYS N N 15 32.0005 0.82286 . . . . 404 LYS N 51418 2 174 . 1 1 362 362 SER N N 15 29.5919 0.7031 . . . . 405 SER N 51418 2 175 . 1 1 364 364 LEU N N 15 29.233 0.92945 . . . . 407 LEU N 51418 2 176 . 1 1 365 365 GLU N N 15 31.1027 0.96406 . . . . 408 GLU N 51418 2 177 . 1 1 366 366 ALA N N 15 31.5376 0.91986 . . . . 409 ALA N 51418 2 178 . 1 1 367 367 ARG N N 15 28.2614 0.72309 . . . . 410 ARG N 51418 2 179 . 1 1 369 369 TYR N N 15 24.0832 0.41207 . . . . 412 TYR N 51418 2 180 . 1 1 370 370 ARG N N 15 28.0464 0.66724 . . . . 413 ARG N 51418 2 181 . 1 1 371 371 ASP N N 15 31.0264 0.76194 . . . . 414 ASP N 51418 2 182 . 1 1 372 372 ALA N N 15 32.5448 0.8285 . . . . 415 ALA N 51418 2 183 . 1 1 373 373 GLN N N 15 31.4717 1.0847 . . . . 416 GLN N 51418 2 184 . 1 1 375 375 PHE N N 15 31.7601 1.1888 . . . . 418 PHE N 51418 2 185 . 1 1 376 376 GLY N N 15 31.9402 1.9708 . . . . 419 GLY N 51418 2 186 . 1 1 377 377 ALA N N 15 3.7091 0.13541 . . . . 420 ALA N 51418 2 187 . 1 1 378 378 ASP N N 15 34.1669 1.3039 . . . . 421 ASP N 51418 2 188 . 1 1 379 379 VAL N N 15 33.941 1.366 . . . . 422 VAL N 51418 2 189 . 1 1 380 380 ARG N N 15 31.9963 2.1853 . . . . 423 ARG N 51418 2 190 . 1 1 382 382 MET N N 15 35.96 1.8052 . . . . 425 MET N 51418 2 191 . 1 1 383 383 PHE N N 15 37.5256 2.2176 . . . . 426 PHE N 51418 2 192 . 1 1 386 386 CYS N N 15 35.3978 1.2538 . . . . 429 CYS N 51418 2 193 . 1 1 390 390 ASN N N 15 49.4582 7.0378 . . . . 433 ASN N 51418 2 194 . 1 1 393 393 ASP N N 15 29.4152 0.86241 . . . . 436 ASP N 51418 2 195 . 1 1 394 394 HIS N N 15 34.4981 2.0677 . . . . 437 HIS N 51418 2 196 . 1 1 395 395 GLU N N 15 35.0513 1.0341 . . . . 438 GLU N 51418 2 197 . 1 1 396 396 VAL N N 15 34.0682 7.2184 . . . . 439 VAL N 51418 2 198 . 1 1 397 397 VAL N N 15 34.8303 1.4647 . . . . 440 VAL N 51418 2 199 . 1 1 398 398 ALA N N 15 29.7541 2.5474 . . . . 441 ALA N 51418 2 200 . 1 1 399 399 MET N N 15 28.6795 0.95206 . . . . 442 MET N 51418 2 201 . 1 1 400 400 ALA N N 15 34.115 2.1382 . . . . 443 ALA N 51418 2 202 . 1 1 402 402 LYS N N 15 36.526 4.6087 . . . . 445 LYS N 51418 2 203 . 1 1 404 404 GLN N N 15 56.8174 17.2495 . . . . 447 GLN N 51418 2 204 . 1 1 407 407 PHE N N 15 42.9596 2.4904 . . . . 450 PHE N 51418 2 205 . 1 1 408 408 GLU N N 15 45.4856 7.3876 . . . . 451 GLU N 51418 2 206 . 1 1 410 410 ARG N N 15 41.0783 4.6997 . . . . 453 ARG N 51418 2 207 . 1 1 411 411 PHE N N 15 40.2499 5.9764 . . . . 454 PHE N 51418 2 208 . 1 1 412 412 ALA N N 15 31.8494 0.94932 . . . . 455 ALA N 51418 2 209 . 1 1 417 417 GLU N N 15 6.091 0.055664 . . . . 460 GLU N 51418 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 51418 _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' . . . 51418 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 . . 51418 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 1.7 0.337 . . . . . . . . . . 51418 1 2 . 1 1 17 17 THR N N 15 1 . 1 17 17 THR N N 15 2.171 0.25 . . . . . . . . . . 51418 1 3 . 1 1 20 20 LEU N N 15 1 . 1 20 20 LEU N N 15 22.914 0.498 . . . . . . . . . . 51418 1 4 . 1 1 21 21 GLN N N 15 1 . 1 21 21 GLN N N 15 20.553 0.246 . . . . . . . . . . 51418 1 5 . 1 1 22 22 TYR N N 15 1 . 1 22 22 TYR N N 15 20.716 0.244 . . . . . . . . . . 51418 1 6 . 1 1 24 24 LEU N N 15 1 . 1 24 24 LEU N N 15 21.03 0.342 . . . . . . . . . . 51418 1 7 . 1 1 25 25 ARG N N 15 1 . 1 25 25 ARG N N 15 19.506 0.439 . . . . . . . . . . 51418 1 8 . 1 1 26 26 VAL N N 15 1 . 1 26 26 VAL N N 15 19.31 0.372 . . . . . . . . . . 51418 1 9 . 1 1 27 27 VAL N N 15 1 . 1 27 27 VAL N N 15 21.404 0.434 . . . . . . . . . . 51418 1 10 . 1 1 28 28 LEU N N 15 1 . 1 28 28 LEU N N 15 22.802 0.406 . . . . . . . . . . 51418 1 11 . 1 1 29 29 LYS N N 15 1 . 1 29 29 LYS N N 15 19.294 0.329 . . . . . . . . . . 51418 1 12 . 1 1 30 30 THR N N 15 1 . 1 30 30 THR N N 15 18.907 0.263 . . . . . . . . . . 51418 1 13 . 1 1 32 32 TRP N N 15 1 . 1 32 32 TRP N N 15 21.527 0.286 . . . . . . . . . . 51418 1 14 . 1 1 33 33 LYS N N 15 1 . 1 33 33 LYS N N 15 17.772 0.308 . . . . . . . . . . 51418 1 15 . 1 1 35 35 GLN N N 15 1 . 1 35 35 GLN N N 15 19.271 0.274 . . . . . . . . . . 51418 1 16 . 1 1 36 36 PHE N N 15 1 . 1 36 36 PHE N N 15 18.013 0.398 . . . . . . . . . . 51418 1 17 . 1 1 37 37 ALA N N 15 1 . 1 37 37 ALA N N 15 20.234 0.202 . . . . . . . . . . 51418 1 18 . 1 1 38 38 TRP N N 15 1 . 1 38 38 TRP N N 15 18.069 0.155 . . . . . . . . . . 51418 1 19 . 1 1 40 40 PHE N N 15 1 . 1 40 40 PHE N N 15 16.603 0.299 . . . . . . . . . . 51418 1 20 . 1 1 42 42 GLN N N 15 1 . 1 42 42 GLN N N 15 21.903 0.24 . . . . . . . . . . 51418 1 21 . 1 1 44 44 VAL N N 15 1 . 1 44 44 VAL N N 15 17.814 0.165 . . . . . . . . . . 51418 1 22 . 1 1 45 45 ASP N N 15 1 . 1 45 45 ASP N N 15 18.439 0.425 . . . . . . . . . . 51418 1 23 . 1 1 46 46 ALA N N 15 1 . 1 46 46 ALA N N 15 19.399 0.272 . . . . . . . . . . 51418 1 24 . 1 1 47 47 VAL N N 15 1 . 1 47 47 VAL N N 15 23.216 0.374 . . . . . . . . . . 51418 1 25 . 1 1 48 48 LYS N N 15 1 . 1 48 48 LYS N N 15 20.306 0.313 . . . . . . . . . . 51418 1 26 . 1 1 50 50 ASN N N 15 1 . 1 50 50 ASN N N 15 21.532 0.206 . . . . . . . . . . 51418 1 27 . 1 1 51 51 LEU N N 15 1 . 1 51 51 LEU N N 15 17.209 0.267 . . . . . . . . . . 51418 1 28 . 1 1 55 55 TYR N N 15 1 . 1 55 55 TYR N N 15 18.443 0.564 . . . . . . . . . . 51418 1 29 . 1 1 56 56 LYS N N 15 1 . 1 56 56 LYS N N 15 19.026 0.31 . . . . . . . . . . 51418 1 30 . 1 1 57 57 ILE N N 15 1 . 1 57 57 ILE N N 15 15.545 0.286 . . . . . . . . . . 51418 1 31 . 1 1 59 59 LYS N N 15 1 . 1 59 59 LYS N N 15 15.937 0.205 . . . . . . . . . . 51418 1 32 . 1 1 60 60 THR N N 15 1 . 1 60 60 THR N N 15 20.086 0.246 . . . . . . . . . . 51418 1 33 . 1 1 62 62 MET N N 15 1 . 1 62 62 MET N N 15 22.89 0.406 . . . . . . . . . . 51418 1 34 . 1 1 63 63 ASP N N 15 1 . 1 63 63 ASP N N 15 21.773 0.157 . . . . . . . . . . 51418 1 35 . 1 1 64 64 MET N N 15 1 . 1 64 64 MET N N 15 22.796 0.256 . . . . . . . . . . 51418 1 36 . 1 1 65 65 GLY N N 15 1 . 1 65 65 GLY N N 15 23.176 0.456 . . . . . . . . . . 51418 1 37 . 1 1 67 67 ILE N N 15 1 . 1 67 67 ILE N N 15 24.541 0.284 . . . . . . . . . . 51418 1 38 . 1 1 68 68 LYS N N 15 1 . 1 68 68 LYS N N 15 27.066 0.368 . . . . . . . . . . 51418 1 39 . 1 1 69 69 LYS N N 15 1 . 1 69 69 LYS N N 15 23.966 0.406 . . . . . . . . . . 51418 1 40 . 1 1 70 70 ARG N N 15 1 . 1 70 70 ARG N N 15 21.314 0.585 . . . . . . . . . . 51418 1 41 . 1 1 71 71 LEU N N 15 1 . 1 71 71 LEU N N 15 24.278 0.401 . . . . . . . . . . 51418 1 42 . 1 1 72 72 GLU N N 15 1 . 1 72 72 GLU N N 15 23.478 0.462 . . . . . . . . . . 51418 1 43 . 1 1 73 73 ASN N N 15 1 . 1 73 73 ASN N N 15 20.871 0.484 . . . . . . . . . . 51418 1 44 . 1 1 75 75 TYR N N 15 1 . 1 75 75 TYR N N 15 18.909 0.425 . . . . . . . . . . 51418 1 45 . 1 1 76 76 TYR N N 15 1 . 1 76 76 TYR N N 15 18.33 0.233 . . . . . . . . . . 51418 1 46 . 1 1 77 77 TRP N N 15 1 . 1 77 77 TRP N N 15 23.06 0.47 . . . . . . . . . . 51418 1 47 . 1 1 78 78 ASN N N 15 1 . 1 78 78 ASN N N 15 16.264 1.455 . . . . . . . . . . 51418 1 48 . 1 1 79 79 ALA N N 15 1 . 1 79 79 ALA N N 15 21.136 0.54 . . . . . . . . . . 51418 1 49 . 1 1 82 82 CYS N N 15 1 . 1 82 82 CYS N N 15 21.675 0.439 . . . . . . . . . . 51418 1 50 . 1 1 83 83 ILE N N 15 1 . 1 83 83 ILE N N 15 27.326 0.667 . . . . . . . . . . 51418 1 51 . 1 1 84 84 GLN N N 15 1 . 1 84 84 GLN N N 15 26.456 0.396 . . . . . . . . . . 51418 1 52 . 1 1 85 85 ASP N N 15 1 . 1 85 85 ASP N N 15 24.011 0.338 . . . . . . . . . . 51418 1 53 . 1 1 87 87 ASN N N 15 1 . 1 87 87 ASN N N 15 23.98 0.311 . . . . . . . . . . 51418 1 54 . 1 1 88 88 THR N N 15 1 . 1 88 88 THR N N 15 24.545 0.305 . . . . . . . . . . 51418 1 55 . 1 1 89 89 MET N N 15 1 . 1 89 89 MET N N 15 24.722 0.28 . . . . . . . . . . 51418 1 56 . 1 1 90 90 PHE N N 15 1 . 1 90 90 PHE N N 15 24.614 0.325 . . . . . . . . . . 51418 1 57 . 1 1 91 91 THR N N 15 1 . 1 91 91 THR N N 15 24.527 0.386 . . . . . . . . . . 51418 1 58 . 1 1 92 92 ASN N N 15 1 . 1 92 92 ASN N N 15 24.339 0.301 . . . . . . . . . . 51418 1 59 . 1 1 94 94 TYR N N 15 1 . 1 94 94 TYR N N 15 23.635 0.359 . . . . . . . . . . 51418 1 60 . 1 1 95 95 ILE N N 15 1 . 1 95 95 ILE N N 15 22.352 0.406 . . . . . . . . . . 51418 1 61 . 1 1 97 97 ASN N N 15 1 . 1 97 97 ASN N N 15 21.569 0.336 . . . . . . . . . . 51418 1 62 . 1 1 100 100 GLY N N 15 1 . 1 100 100 GLY N N 15 16.963 0.157 . . . . . . . . . . 51418 1 63 . 1 1 102 102 ASP N N 15 1 . 1 102 102 ASP N N 15 19.355 0.139 . . . . . . . . . . 51418 1 64 . 1 1 103 103 ILE N N 15 1 . 1 103 103 ILE N N 15 19.948 0.184 . . . . . . . . . . 51418 1 65 . 1 1 104 104 VAL N N 15 1 . 1 104 104 VAL N N 15 23.917 0.392 . . . . . . . . . . 51418 1 66 . 1 1 105 105 LEU N N 15 1 . 1 105 105 LEU N N 15 21.19 0.393 . . . . . . . . . . 51418 1 67 . 1 1 106 106 MET N N 15 1 . 1 106 106 MET N N 15 26.505 0.495 . . . . . . . . . . 51418 1 68 . 1 1 108 108 GLU N N 15 1 . 1 108 108 GLU N N 15 21.395 0.349 . . . . . . . . . . 51418 1 69 . 1 1 109 109 ALA N N 15 1 . 1 109 109 ALA N N 15 22.369 0.319 . . . . . . . . . . 51418 1 70 . 1 1 110 110 LEU N N 15 1 . 1 110 110 LEU N N 15 27.775 0.592 . . . . . . . . . . 51418 1 71 . 1 1 111 111 GLU N N 15 1 . 1 111 111 GLU N N 15 23.587 0.416 . . . . . . . . . . 51418 1 72 . 1 1 112 112 LYS N N 15 1 . 1 112 112 LYS N N 15 21.111 0.396 . . . . . . . . . . 51418 1 73 . 1 1 113 113 LEU N N 15 1 . 1 113 113 LEU N N 15 22.11 0.398 . . . . . . . . . . 51418 1 74 . 1 1 114 114 PHE N N 15 1 . 1 114 114 PHE N N 15 22.868 0.468 . . . . . . . . . . 51418 1 75 . 1 1 116 116 GLN N N 15 1 . 1 116 116 GLN N N 15 20.517 0.335 . . . . . . . . . . 51418 1 76 . 1 1 117 117 LYS N N 15 1 . 1 117 117 LYS N N 15 23.607 0.511 . . . . . . . . . . 51418 1 77 . 1 1 118 118 ILE N N 15 1 . 1 118 118 ILE N N 15 24.155 0.494 . . . . . . . . . . 51418 1 78 . 1 1 119 119 ASN N N 15 1 . 1 119 119 ASN N N 15 22.075 0.303 . . . . . . . . . . 51418 1 79 . 1 1 121 121 LEU N N 15 1 . 1 121 121 LEU N N 15 22.586 0.302 . . . . . . . . . . 51418 1 80 . 1 1 132 132 GLN N N 15 1 . 1 132 132 GLN N N 15 6.566 0.374 . . . . . . . . . . 51418 1 81 . 1 1 143 143 THR N N 15 1 . 1 143 143 THR N N 15 2.325 1.459 . . . . . . . . . . 51418 1 82 . 1 1 144 144 GLY N N 15 1 . 1 144 144 GLY N N 15 1.094 4.243 . . . . . . . . . . 51418 1 83 . 1 1 145 145 THR N N 15 1 . 1 145 145 THR N N 15 1.365 0.981 . . . . . . . . . . 51418 1 84 . 1 1 146 146 ALA N N 15 1 . 1 146 146 ALA N N 15 1.043 0.349 . . . . . . . . . . 51418 1 85 . 1 1 149 149 GLY N N 15 1 . 1 149 149 GLY N N 15 0.916 0.232 . . . . . . . . . . 51418 1 86 . 1 1 151 151 SER N N 15 1 . 1 151 151 SER N N 15 2.853 0.067 . . . . . . . . . . 51418 1 87 . 1 1 153 153 VAL N N 15 1 . 1 153 153 VAL N N 15 1.624 0.036 . . . . . . . . . . 51418 1 88 . 1 1 155 155 ASN N N 15 1 . 1 155 155 ASN N N 15 0.393 0.544 . . . . . . . . . . 51418 1 89 . 1 1 156 156 THR N N 15 1 . 1 156 156 THR N N 15 1.823 0.313 . . . . . . . . . . 51418 1 90 . 1 1 158 158 GLN N N 15 1 . 1 158 158 GLN N N 15 1.589 0.398 . . . . . . . . . . 51418 1 91 . 1 1 159 159 ALA N N 15 1 . 1 159 159 ALA N N 15 1.334 0.288 . . . . . . . . . . 51418 1 92 . 1 1 160 160 SER N N 15 1 . 1 160 160 SER N N 15 0.116 0.764 . . . . . . . . . . 51418 1 93 . 1 1 161 161 THR N N 15 1 . 1 161 161 THR N N 15 0.891 0.163 . . . . . . . . . . 51418 1 94 . 1 1 167 167 THR N N 15 1 . 1 167 167 THR N N 15 1.935 0.155 . . . . . . . . . . 51418 1 95 . 1 1 184 184 ALA N N 15 1 . 1 184 184 ALA N N 15 1.851 0.061 . . . . . . . . . . 51418 1 96 . 1 1 185 185 VAL N N 15 1 . 1 185 185 VAL N N 15 1.831 0.043 . . . . . . . . . . 51418 1 97 . 1 1 186 186 THR N N 15 1 . 1 186 186 THR N N 15 2.215 0.045 . . . . . . . . . . 51418 1 98 . 1 1 188 188 ASP N N 15 1 . 1 188 188 ASP N N 15 2.301 0.033 . . . . . . . . . . 51418 1 99 . 1 1 190 190 ILE N N 15 1 . 1 190 190 ILE N N 15 1.971 0.029 . . . . . . . . . . 51418 1 100 . 1 1 191 191 VAL N N 15 1 . 1 191 191 VAL N N 15 1.818 0.027 . . . . . . . . . . 51418 1 101 . 1 1 192 192 GLN N N 15 1 . 1 192 192 GLN N N 15 2.099 0.061 . . . . . . . . . . 51418 1 102 . 1 1 195 195 VAL N N 15 1 . 1 195 195 VAL N N 15 2.287 0.029 . . . . . . . . . . 51418 1 103 . 1 1 197 197 THR N N 15 1 . 1 197 197 THR N N 15 2.471 0.132 . . . . . . . . . . 51418 1 104 . 1 1 198 198 VAL N N 15 1 . 1 198 198 VAL N N 15 2.224 0.046 . . . . . . . . . . 51418 1 105 . 1 1 199 199 VAL N N 15 1 . 1 199 199 VAL N N 15 2.505 0.032 . . . . . . . . . . 51418 1 106 . 1 1 206 206 THR N N 15 1 . 1 206 206 THR N N 15 2.423 0.097 . . . . . . . . . . 51418 1 107 . 1 1 231 231 ILE N N 15 1 . 1 231 231 ILE N N 15 2.203 0.031 . . . . . . . . . . 51418 1 108 . 1 1 232 232 ILE N N 15 1 . 1 232 232 ILE N N 15 2.768 0.036 . . . . . . . . . . 51418 1 109 . 1 1 233 233 ALA N N 15 1 . 1 233 233 ALA N N 15 2.458 0.059 . . . . . . . . . . 51418 1 110 . 1 1 234 234 ALA N N 15 1 . 1 234 234 ALA N N 15 2.254 0.055 . . . . . . . . . . 51418 1 111 . 1 1 235 235 THR N N 15 1 . 1 235 235 THR N N 15 2.423 0.443 . . . . . . . . . . 51418 1 112 . 1 1 243 243 LYS N N 15 1 . 1 243 243 LYS N N 15 2.563 0.122 . . . . . . . . . . 51418 1 113 . 1 1 244 244 GLY N N 15 1 . 1 244 244 GLY N N 15 0.674 0.65 . . . . . . . . . . 51418 1 114 . 1 1 249 249 ALA N N 15 1 . 1 249 249 ALA N N 15 2.228 0.593 . . . . . . . . . . 51418 1 115 . 1 1 250 250 ASP N N 15 1 . 1 250 250 ASP N N 15 1.998 0.175 . . . . . . . . . . 51418 1 116 . 1 1 251 251 THR N N 15 1 . 1 251 251 THR N N 15 12.918 0.442 . . . . . . . . . . 51418 1 117 . 1 1 252 252 THR N N 15 1 . 1 252 252 THR N N 15 8.843 0.096 . . . . . . . . . . 51418 1 118 . 1 1 255 255 THR N N 15 1 . 1 255 255 THR N N 15 1.662 0.107 . . . . . . . . . . 51418 1 119 . 1 1 256 256 THR N N 15 1 . 1 256 256 THR N N 15 2.031 0.168 . . . . . . . . . . 51418 1 120 . 1 1 257 257 ILE N N 15 1 . 1 257 257 ILE N N 15 2.384 0.043 . . . . . . . . . . 51418 1 121 . 1 1 258 258 ASP N N 15 1 . 1 258 258 ASP N N 15 2.373 0.038 . . . . . . . . . . 51418 1 122 . 1 1 260 260 ILE N N 15 1 . 1 260 260 ILE N N 15 2.642 0.032 . . . . . . . . . . 51418 1 123 . 1 1 261 261 HIS N N 15 1 . 1 261 261 HIS N N 15 2.315 0.137 . . . . . . . . . . 51418 1 124 . 1 1 265 265 SER N N 15 1 . 1 265 265 SER N N 15 2.173 0.096 . . . . . . . . . . 51418 1 125 . 1 1 266 266 LEU N N 15 1 . 1 266 266 LEU N N 15 2.881 0.046 . . . . . . . . . . 51418 1 126 . 1 1 272 272 THR N N 15 1 . 1 272 272 THR N N 15 14.074 0.138 . . . . . . . . . . 51418 1 127 . 1 1 275 275 LEU N N 15 1 . 1 275 275 LEU N N 15 3.374 0.457 . . . . . . . . . . 51418 1 128 . 1 1 289 289 LYS N N 15 1 . 1 289 289 LYS N N 15 2.724 0.073 . . . . . . . . . . 51418 1 129 . 1 1 290 290 LYS N N 15 1 . 1 290 290 LYS N N 15 2.784 0.208 . . . . . . . . . . 51418 1 130 . 1 1 291 291 ASP N N 15 1 . 1 291 291 ASP N N 15 1.898 0.164 . . . . . . . . . . 51418 1 131 . 1 1 292 292 VAL N N 15 1 . 1 292 292 VAL N N 15 2.74 0.038 . . . . . . . . . . 51418 1 132 . 1 1 295 295 SER N N 15 1 . 1 295 295 SER N N 15 2.777 0.279 . . . . . . . . . . 51418 1 133 . 1 1 300 300 ALA N N 15 1 . 1 300 300 ALA N N 15 3.146 0.064 . . . . . . . . . . 51418 1 134 . 1 1 302 302 GLU N N 15 1 . 1 302 302 GLU N N 15 4.158 0.075 . . . . . . . . . . 51418 1 135 . 1 1 304 304 SER N N 15 1 . 1 304 304 SER N N 15 4.824 1.35 . . . . . . . . . . 51418 1 136 . 1 1 307 307 VAL N N 15 1 . 1 307 307 VAL N N 15 18.639 0.236 . . . . . . . . . . 51418 1 137 . 1 1 308 308 SER N N 15 1 . 1 308 308 SER N N 15 21.841 0.468 . . . . . . . . . . 51418 1 138 . 1 1 309 309 GLU N N 15 1 . 1 309 309 GLU N N 15 22.587 1.139 . . . . . . . . . . 51418 1 139 . 1 1 310 310 GLN N N 15 1 . 1 310 310 GLN N N 15 24.286 0.722 . . . . . . . . . . 51418 1 140 . 1 1 311 311 LEU N N 15 1 . 1 311 311 LEU N N 15 36.569 0.85 . . . . . . . . . . 51418 1 141 . 1 1 312 312 LYS N N 15 1 . 1 312 312 LYS N N 15 27.027 0.403 . . . . . . . . . . 51418 1 142 . 1 1 313 313 CYS N N 15 1 . 1 313 313 CYS N N 15 21.753 0.276 . . . . . . . . . . 51418 1 143 . 1 1 316 316 GLY N N 15 1 . 1 316 316 GLY N N 15 25.342 0.507 . . . . . . . . . . 51418 1 144 . 1 1 317 317 ILE N N 15 1 . 1 317 317 ILE N N 15 31.961 0.609 . . . . . . . . . . 51418 1 145 . 1 1 319 319 LYS N N 15 1 . 1 319 319 LYS N N 15 24.766 0.447 . . . . . . . . . . 51418 1 146 . 1 1 320 320 GLU N N 15 1 . 1 320 320 GLU N N 15 25.065 0.456 . . . . . . . . . . 51418 1 147 . 1 1 321 321 MET N N 15 1 . 1 321 321 MET N N 15 23.987 0.476 . . . . . . . . . . 51418 1 148 . 1 1 322 322 PHE N N 15 1 . 1 322 322 PHE N N 15 25.402 0.52 . . . . . . . . . . 51418 1 149 . 1 1 327 327 ALA N N 15 1 . 1 327 327 ALA N N 15 26.257 0.414 . . . . . . . . . . 51418 1 150 . 1 1 329 329 TYR N N 15 1 . 1 329 329 TYR N N 15 26.91 1.518 . . . . . . . . . . 51418 1 151 . 1 1 331 331 TRP N N 15 1 . 1 331 331 TRP N N 15 23.031 0.404 . . . . . . . . . . 51418 1 152 . 1 1 333 333 PHE N N 15 1 . 1 333 333 PHE N N 15 12.469 0.32 . . . . . . . . . . 51418 1 153 . 1 1 334 334 TYR N N 15 1 . 1 334 334 TYR N N 15 27.018 0.617 . . . . . . . . . . 51418 1 154 . 1 1 335 335 LYS N N 15 1 . 1 335 335 LYS N N 15 22.93 0.381 . . . . . . . . . . 51418 1 155 . 1 1 337 337 VAL N N 15 1 . 1 337 337 VAL N N 15 23.553 0.258 . . . . . . . . . . 51418 1 156 . 1 1 338 338 ASP N N 15 1 . 1 338 338 ASP N N 15 20.827 0.203 . . . . . . . . . . 51418 1 157 . 1 1 339 339 VAL N N 15 1 . 1 339 339 VAL N N 15 21.315 0.266 . . . . . . . . . . 51418 1 158 . 1 1 341 341 ALA N N 15 1 . 1 341 341 ALA N N 15 22.375 0.313 . . . . . . . . . . 51418 1 159 . 1 1 343 343 GLY N N 15 1 . 1 343 343 GLY N N 15 18.573 0.991 . . . . . . . . . . 51418 1 160 . 1 1 344 344 LEU N N 15 1 . 1 344 344 LEU N N 15 20.366 0.217 . . . . . . . . . . 51418 1 161 . 1 1 347 347 TYR N N 15 1 . 1 347 347 TYR N N 15 23.337 0.408 . . . . . . . . . . 51418 1 162 . 1 1 348 348 CYS N N 15 1 . 1 348 348 CYS N N 15 21.541 0.436 . . . . . . . . . . 51418 1 163 . 1 1 349 349 ASP N N 15 1 . 1 349 349 ASP N N 15 22.917 0.808 . . . . . . . . . . 51418 1 164 . 1 1 350 350 ILE N N 15 1 . 1 350 350 ILE N N 15 19.996 0.462 . . . . . . . . . . 51418 1 165 . 1 1 356 356 ASP N N 15 1 . 1 356 356 ASP N N 15 24.205 0.233 . . . . . . . . . . 51418 1 166 . 1 1 357 357 MET N N 15 1 . 1 357 357 MET N N 15 25.477 0.319 . . . . . . . . . . 51418 1 167 . 1 1 358 358 SER N N 15 1 . 1 358 358 SER N N 15 27.668 0.488 . . . . . . . . . . 51418 1 168 . 1 1 360 360 ILE N N 15 1 . 1 360 360 ILE N N 15 28.978 0.505 . . . . . . . . . . 51418 1 169 . 1 1 361 361 LYS N N 15 1 . 1 361 361 LYS N N 15 27.959 0.443 . . . . . . . . . . 51418 1 170 . 1 1 362 362 SER N N 15 1 . 1 362 362 SER N N 15 25.396 0.375 . . . . . . . . . . 51418 1 171 . 1 1 364 364 LEU N N 15 1 . 1 364 364 LEU N N 15 28.648 0.614 . . . . . . . . . . 51418 1 172 . 1 1 365 365 GLU N N 15 1 . 1 365 365 GLU N N 15 27.812 0.57 . . . . . . . . . . 51418 1 173 . 1 1 366 366 ALA N N 15 1 . 1 366 366 ALA N N 15 24.111 0.506 . . . . . . . . . . 51418 1 174 . 1 1 367 367 ARG N N 15 1 . 1 367 367 ARG N N 15 25.428 0.478 . . . . . . . . . . 51418 1 175 . 1 1 369 369 TYR N N 15 1 . 1 369 369 TYR N N 15 20.676 0.321 . . . . . . . . . . 51418 1 176 . 1 1 370 370 ARG N N 15 1 . 1 370 370 ARG N N 15 25.678 0.389 . . . . . . . . . . 51418 1 177 . 1 1 371 371 ASP N N 15 1 . 1 371 371 ASP N N 15 24.641 0.443 . . . . . . . . . . 51418 1 178 . 1 1 372 372 ALA N N 15 1 . 1 372 372 ALA N N 15 26.903 0.424 . . . . . . . . . . 51418 1 179 . 1 1 373 373 GLN N N 15 1 . 1 373 373 GLN N N 15 26.029 0.592 . . . . . . . . . . 51418 1 180 . 1 1 375 375 PHE N N 15 1 . 1 375 375 PHE N N 15 29.118 0.772 . . . . . . . . . . 51418 1 181 . 1 1 376 376 GLY N N 15 1 . 1 376 376 GLY N N 15 25.994 0.974 . . . . . . . . . . 51418 1 182 . 1 1 377 377 ALA N N 15 1 . 1 377 377 ALA N N 15 2.648 0.305 . . . . . . . . . . 51418 1 183 . 1 1 378 378 ASP N N 15 1 . 1 378 378 ASP N N 15 28.461 0.636 . . . . . . . . . . 51418 1 184 . 1 1 379 379 VAL N N 15 1 . 1 379 379 VAL N N 15 25.667 0.684 . . . . . . . . . . 51418 1 185 . 1 1 380 380 ARG N N 15 1 . 1 380 380 ARG N N 15 26.397 1.135 . . . . . . . . . . 51418 1 186 . 1 1 382 382 MET N N 15 1 . 1 382 382 MET N N 15 27.146 0.92 . . . . . . . . . . 51418 1 187 . 1 1 383 383 PHE N N 15 1 . 1 383 383 PHE N N 15 27.155 1.078 . . . . . . . . . . 51418 1 188 . 1 1 386 386 CYS N N 15 1 . 1 386 386 CYS N N 15 27.99 0.634 . . . . . . . . . . 51418 1 189 . 1 1 390 390 ASN N N 15 1 . 1 390 390 ASN N N 15 33.068 3.521 . . . . . . . . . . 51418 1 190 . 1 1 393 393 ASP N N 15 1 . 1 393 393 ASP N N 15 22.029 0.495 . . . . . . . . . . 51418 1 191 . 1 1 394 394 HIS N N 15 1 . 1 394 394 HIS N N 15 25.485 1.224 . . . . . . . . . . 51418 1 192 . 1 1 395 395 GLU N N 15 1 . 1 395 395 GLU N N 15 24.841 0.505 . . . . . . . . . . 51418 1 193 . 1 1 396 396 VAL N N 15 1 . 1 396 396 VAL N N 15 21.65 2.954 . . . . . . . . . . 51418 1 194 . 1 1 397 397 VAL N N 15 1 . 1 397 397 VAL N N 15 28.947 0.689 . . . . . . . . . . 51418 1 195 . 1 1 398 398 ALA N N 15 1 . 1 398 398 ALA N N 15 24.056 1.309 . . . . . . . . . . 51418 1 196 . 1 1 399 399 MET N N 15 1 . 1 399 399 MET N N 15 25.695 0.52 . . . . . . . . . . 51418 1 197 . 1 1 400 400 ALA N N 15 1 . 1 400 400 ALA N N 15 30.313 1.049 . . . . . . . . . . 51418 1 198 . 1 1 402 402 LYS N N 15 1 . 1 402 402 LYS N N 15 21.579 2.114 . . . . . . . . . . 51418 1 199 . 1 1 404 404 GLN N N 15 1 . 1 404 404 GLN N N 15 40.157 6.225 . . . . . . . . . . 51418 1 200 . 1 1 407 407 PHE N N 15 1 . 1 407 407 PHE N N 15 25.243 0.867 . . . . . . . . . . 51418 1 201 . 1 1 408 408 GLU N N 15 1 . 1 408 408 GLU N N 15 23.295 2.953 . . . . . . . . . . 51418 1 202 . 1 1 410 410 ARG N N 15 1 . 1 410 410 ARG N N 15 27.51 3.233 . . . . . . . . . . 51418 1 203 . 1 1 411 411 PHE N N 15 1 . 1 411 411 PHE N N 15 30.155 2.991 . . . . . . . . . . 51418 1 204 . 1 1 412 412 ALA N N 15 1 . 1 412 412 ALA N N 15 25.241 0.504 . . . . . . . . . . 51418 1 205 . 1 1 417 417 GLU N N 15 1 . 1 417 417 GLU N N 15 4.186 0.105 . . . . . . . . . . 51418 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 51418 _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 . . 51418 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 0.0056636 0.010861 . . . . . . . . 0.64934 0.01497 0.0087221 0.016234 . . . . . . . . 334 ASP N 51418 1 2 . 1 1 292 292 VAL N N 15 0.056118 0.00054268 . . 2.0152e-11 6.8108e-12 2.0152e-11 6.8108e-12 . . 0.66791 0.016861 0.084021 0.0020988 . . . . . . . . 335 VAL N 51418 1 3 . 1 1 295 295 SER N N 15 0.067611 0.0029502 . . . . . . . . 0.65079 0.015591 0.10389 0.0052696 . . . . . . . . 338 SER N 51418 1 4 . 1 1 300 300 ALA N N 15 0.09731 0.0014496 . . 5.2145e-11 4.0621e-12 5.2145e-11 4.0621e-12 . . 0.50276 0.016895 0.19355 0.0050587 . . . . . . . . 343 ALA N 51418 1 5 . 1 1 302 302 GLU N N 15 0.19803 0.0020524 . . 3.3678e-11 7.3305e-12 3.3678e-11 7.3305e-12 . . 0.64359 0.02156 0.3077 0.0095288 . . . . . . . . 345 GLU N 51418 1 6 . 1 1 304 304 SER N N 15 0.2639 0.021971 . . . . . . . . 0.69004 0.039181 0.38244 0.033064 . . . . . . . . 347 SER N 51418 1 7 . 1 1 307 307 VAL N N 15 0.76284 0.0495 . . . . . . . . 0.91401 0.038044 0.8346 0.021117 . . . . . . . . 350 VAL N 51418 1 8 . 1 1 308 308 SER N N 15 0.93402 0.01094 9.4707e-10 3.0196e-10 . . . . . . . . . . . . . . . . . . 351 SER N 51418 1 9 . 1 1 309 309 GLU N N 15 0.92376 0.02852 9.5547e-10 1.9753e-09 . . . . . . . . . . . . . . . . . . 352 GLU N 51418 1 10 . 1 1 310 310 GLN N N 15 0.98082 0.023028 . . . . . . . . . . . . . . . . . . . . 353 GLN N 51418 1 11 . 1 1 311 311 LEU N N 15 0.90553 0.022136 6.0208e-11 3.129e-11 . . . . . . . . . . . . . . . . . . 354 LEU N 51418 1 12 . 1 1 312 312 LYS N N 15 0.61935 0.12071 . . . . . . . . 0.72559 0.077396 0.85358 0.088705 . . . . . . . . 355 LYS N 51418 1 13 . 1 1 313 313 CYS N N 15 -1.5725e-15 0.074699 . . . . . . . . 0.50254 0.049254 -9.9203e-15 0.1376 . . . . . . . . 356 CYS N 51418 1 14 . 1 1 316 316 GLY N N 15 0.91629 0.034163 1.2605e-08 6.3137e-09 . . . . . . . . . . . . . . . . . . 359 GLY N 51418 1 15 . 1 1 317 317 ILE N N 15 1.1279e-15 0.11724 . . . . . . . . 0.45298 0.070021 -5.4852e-19 0.20852 . . . . . . . . 360 ILE N 51418 1 16 . 1 1 319 319 LYS N N 15 0.50691 0.087814 . . . . . . . . 0.63478 0.064641 0.79855 0.060658 . . . . . . . . 362 LYS N 51418 1 17 . 1 1 320 320 GLU N N 15 1 0.008581 . . . . . . . . . . . . . . . . . . . . 363 GLU N 51418 1 18 . 1 1 321 321 MET N N 15 0.91419 0.018078 . . . . . . . . . . . . . . . . . . . . 364 MET N 51418 1 19 . 1 1 322 322 PHE N N 15 0.90211 0.017277 . . . . . . . . . . . . . . . . . . . . 365 PHE N 51418 1 20 . 1 1 327 327 ALA N N 15 0.87997 0.015343 . . . . . . . . . . . . . . . . . . . . 370 ALA N 51418 1 21 . 1 1 329 329 TYR N N 15 0.9975 0.025125 . . . . . . . . . . . . . . . . . . . . 372 TYR N 51418 1 22 . 1 1 331 331 TRP N N 15 0.69136 0.042868 . . . . . . . . 0.95402 0.0209 0.72469 0.058879 . . . . . . . . 374 TRP N 51418 1 23 . 1 1 333 333 PHE N N 15 0.86931 0.011922 5.9377e-11 9.8116e-12 . . . . . . . . . . . . . . . . . . 376 PHE N 51418 1 24 . 1 1 334 334 TYR N N 15 0.92724 0.019202 . . . . . . . . . . . . . . . . . . . . 377 TYR N 51418 1 25 . 1 1 335 335 LYS N N 15 0.74965 0.030434 . . . . . . . . 0.89517 0.020518 0.83744 0.04434 . . . . . . . . 378 LYS N 51418 1 26 . 1 1 337 337 VAL N N 15 0.56626 0.066732 . . . . . . . . 0.73103 0.03779 0.77461 0.059539 . . . . . . . . 380 VAL N 51418 1 27 . 1 1 338 338 ASP N N 15 0.82831 0.032708 . . . . . . . . 0.92996 0.024634 0.89069 0.012558 . . . . . . . . 381 ASP N 51418 1 28 . 1 1 339 339 VAL N N 15 0.81306 0.010095 . . . . . . . . 0.88735 0.0088857 0.91628 0.0057823 . . . . . . . . 382 VAL N 51418 1 29 . 1 1 341 341 ALA N N 15 0.74884 0.012636 . . 2.3019e-11 9.2658e-12 2.3019e-11 9.2658e-12 . . 0.83961 0.01147 0.8919 0.012239 . . . . . . . . 384 ALA N 51418 1 30 . 1 1 343 343 GLY N N 15 0.71162 0.03128 . . . . . . . . 0.88033 0.028579 0.80835 0.021153 . . . . . . . . 386 GLY N 51418 1 31 . 1 1 344 344 LEU N N 15 0.85702 0.0099675 . . . . . . . . 0.93482 0.010044 0.91677 0.0064798 . . . . . . . . 387 LEU N 51418 1 32 . 1 1 347 347 TYR N N 15 0.9427 0.0096167 1.2911e-09 1.2375e-09 . . . . . . . . . . . . . . . . . . 390 TYR N 51418 1 33 . 1 1 348 348 CYS N N 15 0.61656 0.044989 2.0186e-08 2.8195e-09 . . . . . . . . . . . . . . . . . . 391 CYS N 51418 1 34 . 1 1 349 349 ASP N N 15 0.73278 0.15816 . . . . . . . . 0.81923 0.11544 0.89447 0.097916 . . . . . . . . 392 ASP N 51418 1 35 . 1 1 350 350 ILE N N 15 0.48943 0.053047 . . 1.0048e-11 7.0574e-12 1.0048e-11 7.0574e-12 . . 0.76698 0.040241 0.63813 0.092447 . . . . . . . . 393 ILE N 51418 1 36 . 1 1 351 351 ILE N N 15 0.07215 0.014552 4.9628e-10 9.7874e-11 . . . . . . . . . . . . . . . . . . 394 ILE N 51418 1 37 . 1 1 356 356 ASP N N 15 0.85255 0.020211 . . . . . . . . 0.92511 0.010913 0.92156 0.025556 . . . . . . . . 399 ASP N 51418 1 38 . 1 1 357 357 MET N N 15 0.966 0.010391 . . . . . . . . . . . . . . . . . . . . 400 MET N 51418 1 39 . 1 1 358 358 SER N N 15 0.95283 0.013184 . . . . . . . . . . . . . . . . . . . . 401 SER N 51418 1 40 . 1 1 360 360 ILE N N 15 0.96932 0.016485 . . . . . . . . . . . . . . . . . . . . 403 ILE N 51418 1 41 . 1 1 361 361 LYS N N 15 1 0.0078248 . . . . . . . . . . . . . . . . . . . . 404 LYS N 51418 1 42 . 1 1 362 362 SER N N 15 0.90935 0.013955 . . . . . . . . . . . . . . . . . . . . 405 SER N 51418 1 43 . 1 1 364 364 LEU N N 15 0.94485 0.014875 . . . . . . . . . . . . . . . . . . . . 407 LEU N 51418 1 44 . 1 1 365 365 GLU N N 15 0.97291 0.013936 . . . . . . . . . . . . . . . . . . . . 408 GLU N 51418 1 45 . 1 1 366 366 ALA N N 15 0.9346 0.022265 . . . . . . . . 0.96798 0.016546 0.96551 0.014494 . . . . . . . . 409 ALA N 51418 1 46 . 1 1 367 367 ARG N N 15 0.95489 0.01073 1.4856e-09 1.7357e-09 . . . . . . . . . . . . . . . . . . 410 ARG N 51418 1 47 . 1 1 369 369 TYR N N 15 0.79463 0.010489 . . . . . . . . 0.87105 0.0094658 0.91226 0.0058538 . . . . . . . . 412 TYR N 51418 1 48 . 1 1 370 370 ARG N N 15 0.90362 0.013399 . . . . . . . . . . . . . . . . . . . . 413 ARG N 51418 1 49 . 1 1 371 371 ASP N N 15 0.60817 0.12059 . . . . . . . . 0.73813 0.06533 0.82393 0.10671 . . . . . . . . 414 ASP N 51418 1 50 . 1 1 372 372 ALA N N 15 0.89347 0.015035 1.8859e-11 7.2101e-12 . . . . . . . . . . . . . . . . . . 415 ALA N 51418 1 51 . 1 1 373 373 GLN N N 15 0.95276 0.01634 . . . . . . . . . . . . . . . . . . . . 416 GLN N 51418 1 52 . 1 1 375 375 PHE N N 15 0.96548 0.018075 . . . . . . . . . . . . . . . . . . . . 418 PHE N 51418 1 53 . 1 1 376 376 GLY N N 15 0.97278 0.023436 . . . . . . . . . . . . . . . . . . . . 419 GLY N 51418 1 54 . 1 1 377 377 ALA N N 15 0.023321 0.018385 3.9819e-10 2.4286e-11 . . . . . . . . . . . . . . . . . . 420 ALA N 51418 1 55 . 1 1 378 378 ASP N N 15 0.92141 0.019865 . . . . . . . . . . . . . . . . . . . . 421 ASP N 51418 1 56 . 1 1 379 379 VAL N N 15 0.96869 0.018868 . . . . . . . . . . . . . . . . . . . . 422 VAL N 51418 1 57 . 1 1 380 380 ARG N N 15 0.9683 0.023817 . . . . . . . . . . . . . . . . . . . . 423 ARG N 51418 1 58 . 1 1 382 382 MET N N 15 0.89595 0.028802 . . . . . . . . . . . . . . . . . . . . 425 MET N 51418 1 59 . 1 1 383 383 PHE N N 15 0.93299 0.031068 . . . . . . . . . . . . . . . . . . . . 426 PHE N 51418 1 60 . 1 1 386 386 CYS N N 15 0.92888 0.020233 . . . . . . . . . . . . . . . . . . . . 429 CYS N 51418 1 61 . 1 1 390 390 ASN N N 15 0.96141 0.045777 . . . . . . . . . . . . . . . . . . . . 433 ASN N 51418 1 62 . 1 1 393 393 ASP N N 15 0.90972 0.019878 . . . . . . . . . . . . . . . . . . . . 436 ASP N 51418 1 63 . 1 1 394 394 HIS N N 15 1 0.022801 . . . . . . . . . . . . . . . . . . . . 437 HIS N 51418 1 64 . 1 1 395 395 GLU N N 15 0.68397 0.11802 . . . . . . . . 0.76328 0.081663 0.89609 0.075935 . . . . . . . . 438 GLU N 51418 1 65 . 1 1 396 396 VAL N N 15 1 0.05766 . . . . . . . . . . . . . . . . . . . . 439 VAL N 51418 1 66 . 1 1 397 397 VAL N N 15 0.95325 0.022837 . . . . . . . . . . . . . . . . . . . . 440 VAL N 51418 1 67 . 1 1 398 398 ALA N N 15 0.93171 0.029736 1.4347e-09 2.9449e-09 . . . . . . . . . . . . . . . . . . 441 ALA N 51418 1 68 . 1 1 399 399 MET N N 15 0.97656 0.014632 . . . . . . . . . . . . . . . . . . . . 442 MET N 51418 1 69 . 1 1 400 400 ALA N N 15 0.9762 0.023485 . . . . . . . . . . . . . . . . . . . . 443 ALA N 51418 1 70 . 1 1 402 402 LYS N N 15 1 0.032293 . . . . . . . . . . . . . . . . . . . . 445 LYS N 51418 1 71 . 1 1 404 404 GLN N N 15 1 0.048461 . . . . . . . . . . . . . . . . . . . . 447 GLN N 51418 1 72 . 1 1 407 407 PHE N N 15 0.96575 0.025628 . . . . . . . . . . . . . . . . . . . . 450 PHE N 51418 1 73 . 1 1 408 408 GLU N N 15 1 0.04286 . . . . . . . . . . . . . . . . . . . . 451 GLU N 51418 1 74 . 1 1 410 410 ARG N N 15 0.22371 0.28209 . . . . . . . . 0.43028 0.20243 0.51993 0.36451 . . . . . . . . 453 ARG N 51418 1 75 . 1 1 411 411 PHE N N 15 0.97309 0.031947 3.3448e-10 8.1607e-10 . . . . . . . . . . . . . . . . . . 454 PHE N 51418 1 76 . 1 1 412 412 ALA N N 15 0.99987 0.0084576 . . . . . . . . . . . . . . . . . . . . 455 ALA N 51418 1 77 . 1 1 417 417 GLU N N 15 0.16893 0.0028072 . . 4.7395e-11 3.6435e-12 4.7395e-11 3.6435e-12 . . 0.51322 0.012627 0.32916 0.005617 . . . . . . . . 460 GLU N 51418 1 stop_ save_