data_51685 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51685 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments and Relaxation Parameters for Ubl domain and Linker in Full-length USP14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-02 _Entry.Accession_date 2022-11-02 _Entry.Last_release_date 2022-11-02 _Entry.Original_release_date 2022-11-02 _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 Johannes Salomonsson . . . 0000-0003-4810-3669 51685 2 Bjorn Wallner . . . . 51685 3 Linda Sjostrand . . . . 51685 4 Padraig D'Arcy . . . . 51685 5 Alexandra Ahlner . . . . 51685 6 Maria Sunnerhagen . . . . 51685 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51685 heteronucl_NOEs 1 51685 heteronucl_T1_relaxation 1 51685 heteronucl_T2_relaxation 1 51685 order_parameters 1 51685 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 400 51685 '15N chemical shifts' 131 51685 '1H chemical shifts' 131 51685 'T1 relaxation values' 87 51685 'T2 relaxation values' 86 51685 'heteronuclear NOE values' 84 51685 'order parameters' 84 51685 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 . . 2024-06-26 2022-11-02 update author 'update assignments' 51685 1 . . 2024-04-15 2022-11-02 original author 'original release' 51685 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51684 'USP14-Ubl domain' 51685 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51685 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38588275 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Transient interdomain interactions in free USP14 shape its conformational ensemble ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 33 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 e4975 _Citation.Page_last e4975 _Citation.Year 2024 _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 Johannes Salomonsson . . . . 51685 1 2 Bjorn Wallner . . . . 51685 1 3 Linda Sjostrand . . . . 51685 1 4 Padraig D'Arcy . . . . 51685 1 5 Maria Sunnerhagen . . . . 51685 1 6 Alexandra Ahlner . . . . 51685 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51685 _Assembly.ID 1 _Assembly.Name USP14 _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ubl domain and linker' 1 $entity_1 . . yes native no no . . . 51685 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51685 _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 ; MPLYSVTVKWGKEKFEGVEL NTDEPPMVFKAQLFALTGVQ PARQKVMVKGGTLKDDDWGN IKIKNGMTLLMMGSADALPE EPSAKTVFVEDMTEEQLASA MELPCGLTNLGNTCYMNATV QCIRSVPELKDALKRYAGAL RASGEMASAQYITAALRDLF DSMDKTSSSIPPIILLQFLH MAFPQFAEKGEQGQYLQQDA NECWIQMMRVLQQKLEAIED DSVKETDSSSASAATPSKKK SLIDQFFGVEFETTMKCTES EEEEVTKGKENQLQLSCFIN QEVKYLFTGLKLRLQEEITK QSPTLQRNALYIKSSKISRL PAYLTIQMVRFFYKEKESVN AKVLKDVKFPLMLDMYELCT PELQEKMVSFRSKFKDLEDK KVNQQPNTSDKKSSPQKEVK YEPFSFADDIGSNNCGYYDL QAVLTHQGRSSSSGHYVSWV KRKQDEWIKFDDDKVSIVTP EDILRLSGGGDWHIAYVLLY GPRRVEIMEEESEQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 494 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 . MET . 51685 1 2 . PRO . 51685 1 3 . LEU . 51685 1 4 . TYR . 51685 1 5 . SER . 51685 1 6 . VAL . 51685 1 7 . THR . 51685 1 8 . VAL . 51685 1 9 . LYS . 51685 1 10 . TRP . 51685 1 11 . GLY . 51685 1 12 . LYS . 51685 1 13 . GLU . 51685 1 14 . LYS . 51685 1 15 . PHE . 51685 1 16 . GLU . 51685 1 17 . GLY . 51685 1 18 . VAL . 51685 1 19 . GLU . 51685 1 20 . LEU . 51685 1 21 . ASN . 51685 1 22 . THR . 51685 1 23 . ASP . 51685 1 24 . GLU . 51685 1 25 . PRO . 51685 1 26 . PRO . 51685 1 27 . MET . 51685 1 28 . VAL . 51685 1 29 . PHE . 51685 1 30 . LYS . 51685 1 31 . ALA . 51685 1 32 . GLN . 51685 1 33 . LEU . 51685 1 34 . PHE . 51685 1 35 . ALA . 51685 1 36 . LEU . 51685 1 37 . THR . 51685 1 38 . GLY . 51685 1 39 . VAL . 51685 1 40 . GLN . 51685 1 41 . PRO . 51685 1 42 . ALA . 51685 1 43 . ARG . 51685 1 44 . GLN . 51685 1 45 . LYS . 51685 1 46 . VAL . 51685 1 47 . MET . 51685 1 48 . VAL . 51685 1 49 . LYS . 51685 1 50 . GLY . 51685 1 51 . GLY . 51685 1 52 . THR . 51685 1 53 . LEU . 51685 1 54 . LYS . 51685 1 55 . ASP . 51685 1 56 . ASP . 51685 1 57 . ASP . 51685 1 58 . TRP . 51685 1 59 . GLY . 51685 1 60 . ASN . 51685 1 61 . ILE . 51685 1 62 . LYS . 51685 1 63 . ILE . 51685 1 64 . LYS . 51685 1 65 . ASN . 51685 1 66 . GLY . 51685 1 67 . MET . 51685 1 68 . THR . 51685 1 69 . LEU . 51685 1 70 . LEU . 51685 1 71 . MET . 51685 1 72 . MET . 51685 1 73 . GLY . 51685 1 74 . SER . 51685 1 75 . ALA . 51685 1 76 . ASP . 51685 1 77 . ALA . 51685 1 78 . LEU . 51685 1 79 . PRO . 51685 1 80 . GLU . 51685 1 81 . GLU . 51685 1 82 . PRO . 51685 1 83 . SER . 51685 1 84 . ALA . 51685 1 85 . LYS . 51685 1 86 . THR . 51685 1 87 . VAL . 51685 1 88 . PHE . 51685 1 89 . VAL . 51685 1 90 . GLU . 51685 1 91 . ASP . 51685 1 92 . MET . 51685 1 93 . THR . 51685 1 94 . GLU . 51685 1 95 . GLU . 51685 1 96 . GLN . 51685 1 97 . LEU . 51685 1 98 . ALA . 51685 1 99 . SER . 51685 1 100 . ALA . 51685 1 101 . MET . 51685 1 102 . GLU . 51685 1 103 . LEU . 51685 1 104 . PRO . 51685 1 105 . CYS . 51685 1 106 . GLY . 51685 1 107 . LEU . 51685 1 108 . THR . 51685 1 109 . ASN . 51685 1 110 . LEU . 51685 1 111 . GLY . 51685 1 112 . ASN . 51685 1 113 . THR . 51685 1 114 . CYS . 51685 1 115 . TYR . 51685 1 116 . MET . 51685 1 117 . ASN . 51685 1 118 . ALA . 51685 1 119 . THR . 51685 1 120 . VAL . 51685 1 121 . GLN . 51685 1 122 . CYS . 51685 1 123 . ILE . 51685 1 124 . ARG . 51685 1 125 . SER . 51685 1 126 . VAL . 51685 1 127 . PRO . 51685 1 128 . GLU . 51685 1 129 . LEU . 51685 1 130 . LYS . 51685 1 131 . ASP . 51685 1 132 . ALA . 51685 1 133 . LEU . 51685 1 134 . LYS . 51685 1 135 . ARG . 51685 1 136 . TYR . 51685 1 137 . ALA . 51685 1 138 . GLY . 51685 1 139 . ALA . 51685 1 140 . LEU . 51685 1 141 . ARG . 51685 1 142 . ALA . 51685 1 143 . SER . 51685 1 144 . GLY . 51685 1 145 . GLU . 51685 1 146 . MET . 51685 1 147 . ALA . 51685 1 148 . SER . 51685 1 149 . ALA . 51685 1 150 . GLN . 51685 1 151 . TYR . 51685 1 152 . ILE . 51685 1 153 . THR . 51685 1 154 . ALA . 51685 1 155 . ALA . 51685 1 156 . LEU . 51685 1 157 . ARG . 51685 1 158 . ASP . 51685 1 159 . LEU . 51685 1 160 . PHE . 51685 1 161 . ASP . 51685 1 162 . SER . 51685 1 163 . MET . 51685 1 164 . ASP . 51685 1 165 . LYS . 51685 1 166 . THR . 51685 1 167 . SER . 51685 1 168 . SER . 51685 1 169 . SER . 51685 1 170 . ILE . 51685 1 171 . PRO . 51685 1 172 . PRO . 51685 1 173 . ILE . 51685 1 174 . ILE . 51685 1 175 . LEU . 51685 1 176 . LEU . 51685 1 177 . GLN . 51685 1 178 . PHE . 51685 1 179 . LEU . 51685 1 180 . HIS . 51685 1 181 . MET . 51685 1 182 . ALA . 51685 1 183 . PHE . 51685 1 184 . PRO . 51685 1 185 . GLN . 51685 1 186 . PHE . 51685 1 187 . ALA . 51685 1 188 . GLU . 51685 1 189 . LYS . 51685 1 190 . GLY . 51685 1 191 . GLU . 51685 1 192 . GLN . 51685 1 193 . GLY . 51685 1 194 . GLN . 51685 1 195 . TYR . 51685 1 196 . LEU . 51685 1 197 . GLN . 51685 1 198 . GLN . 51685 1 199 . ASP . 51685 1 200 . ALA . 51685 1 201 . ASN . 51685 1 202 . GLU . 51685 1 203 . CYS . 51685 1 204 . TRP . 51685 1 205 . ILE . 51685 1 206 . GLN . 51685 1 207 . MET . 51685 1 208 . MET . 51685 1 209 . ARG . 51685 1 210 . VAL . 51685 1 211 . LEU . 51685 1 212 . GLN . 51685 1 213 . GLN . 51685 1 214 . LYS . 51685 1 215 . LEU . 51685 1 216 . GLU . 51685 1 217 . ALA . 51685 1 218 . ILE . 51685 1 219 . GLU . 51685 1 220 . ASP . 51685 1 221 . ASP . 51685 1 222 . SER . 51685 1 223 . VAL . 51685 1 224 . LYS . 51685 1 225 . GLU . 51685 1 226 . THR . 51685 1 227 . ASP . 51685 1 228 . SER . 51685 1 229 . SER . 51685 1 230 . SER . 51685 1 231 . ALA . 51685 1 232 . SER . 51685 1 233 . ALA . 51685 1 234 . ALA . 51685 1 235 . THR . 51685 1 236 . PRO . 51685 1 237 . SER . 51685 1 238 . LYS . 51685 1 239 . LYS . 51685 1 240 . LYS . 51685 1 241 . SER . 51685 1 242 . LEU . 51685 1 243 . ILE . 51685 1 244 . ASP . 51685 1 245 . GLN . 51685 1 246 . PHE . 51685 1 247 . PHE . 51685 1 248 . GLY . 51685 1 249 . VAL . 51685 1 250 . GLU . 51685 1 251 . PHE . 51685 1 252 . GLU . 51685 1 253 . THR . 51685 1 254 . THR . 51685 1 255 . MET . 51685 1 256 . LYS . 51685 1 257 . CYS . 51685 1 258 . THR . 51685 1 259 . GLU . 51685 1 260 . SER . 51685 1 261 . GLU . 51685 1 262 . GLU . 51685 1 263 . GLU . 51685 1 264 . GLU . 51685 1 265 . VAL . 51685 1 266 . THR . 51685 1 267 . LYS . 51685 1 268 . GLY . 51685 1 269 . LYS . 51685 1 270 . GLU . 51685 1 271 . ASN . 51685 1 272 . GLN . 51685 1 273 . LEU . 51685 1 274 . GLN . 51685 1 275 . LEU . 51685 1 276 . SER . 51685 1 277 . CYS . 51685 1 278 . PHE . 51685 1 279 . ILE . 51685 1 280 . ASN . 51685 1 281 . GLN . 51685 1 282 . GLU . 51685 1 283 . VAL . 51685 1 284 . LYS . 51685 1 285 . TYR . 51685 1 286 . LEU . 51685 1 287 . PHE . 51685 1 288 . THR . 51685 1 289 . GLY . 51685 1 290 . LEU . 51685 1 291 . LYS . 51685 1 292 . LEU . 51685 1 293 . ARG . 51685 1 294 . LEU . 51685 1 295 . GLN . 51685 1 296 . GLU . 51685 1 297 . GLU . 51685 1 298 . ILE . 51685 1 299 . THR . 51685 1 300 . LYS . 51685 1 301 . GLN . 51685 1 302 . SER . 51685 1 303 . PRO . 51685 1 304 . THR . 51685 1 305 . LEU . 51685 1 306 . GLN . 51685 1 307 . ARG . 51685 1 308 . ASN . 51685 1 309 . ALA . 51685 1 310 . LEU . 51685 1 311 . TYR . 51685 1 312 . ILE . 51685 1 313 . LYS . 51685 1 314 . SER . 51685 1 315 . SER . 51685 1 316 . LYS . 51685 1 317 . ILE . 51685 1 318 . SER . 51685 1 319 . ARG . 51685 1 320 . LEU . 51685 1 321 . PRO . 51685 1 322 . ALA . 51685 1 323 . TYR . 51685 1 324 . LEU . 51685 1 325 . THR . 51685 1 326 . ILE . 51685 1 327 . GLN . 51685 1 328 . MET . 51685 1 329 . VAL . 51685 1 330 . ARG . 51685 1 331 . PHE . 51685 1 332 . PHE . 51685 1 333 . TYR . 51685 1 334 . LYS . 51685 1 335 . GLU . 51685 1 336 . LYS . 51685 1 337 . GLU . 51685 1 338 . SER . 51685 1 339 . VAL . 51685 1 340 . ASN . 51685 1 341 . ALA . 51685 1 342 . LYS . 51685 1 343 . VAL . 51685 1 344 . LEU . 51685 1 345 . LYS . 51685 1 346 . ASP . 51685 1 347 . VAL . 51685 1 348 . LYS . 51685 1 349 . PHE . 51685 1 350 . PRO . 51685 1 351 . LEU . 51685 1 352 . MET . 51685 1 353 . LEU . 51685 1 354 . ASP . 51685 1 355 . MET . 51685 1 356 . TYR . 51685 1 357 . GLU . 51685 1 358 . LEU . 51685 1 359 . CYS . 51685 1 360 . THR . 51685 1 361 . PRO . 51685 1 362 . GLU . 51685 1 363 . LEU . 51685 1 364 . GLN . 51685 1 365 . GLU . 51685 1 366 . LYS . 51685 1 367 . MET . 51685 1 368 . VAL . 51685 1 369 . SER . 51685 1 370 . PHE . 51685 1 371 . ARG . 51685 1 372 . SER . 51685 1 373 . LYS . 51685 1 374 . PHE . 51685 1 375 . LYS . 51685 1 376 . ASP . 51685 1 377 . LEU . 51685 1 378 . GLU . 51685 1 379 . ASP . 51685 1 380 . LYS . 51685 1 381 . LYS . 51685 1 382 . VAL . 51685 1 383 . ASN . 51685 1 384 . GLN . 51685 1 385 . GLN . 51685 1 386 . PRO . 51685 1 387 . ASN . 51685 1 388 . THR . 51685 1 389 . SER . 51685 1 390 . ASP . 51685 1 391 . LYS . 51685 1 392 . LYS . 51685 1 393 . SER . 51685 1 394 . SER . 51685 1 395 . PRO . 51685 1 396 . GLN . 51685 1 397 . LYS . 51685 1 398 . GLU . 51685 1 399 . VAL . 51685 1 400 . LYS . 51685 1 401 . TYR . 51685 1 402 . GLU . 51685 1 403 . PRO . 51685 1 404 . PHE . 51685 1 405 . SER . 51685 1 406 . PHE . 51685 1 407 . ALA . 51685 1 408 . ASP . 51685 1 409 . ASP . 51685 1 410 . ILE . 51685 1 411 . GLY . 51685 1 412 . SER . 51685 1 413 . ASN . 51685 1 414 . ASN . 51685 1 415 . CYS . 51685 1 416 . GLY . 51685 1 417 . TYR . 51685 1 418 . TYR . 51685 1 419 . ASP . 51685 1 420 . LEU . 51685 1 421 . GLN . 51685 1 422 . ALA . 51685 1 423 . VAL . 51685 1 424 . LEU . 51685 1 425 . THR . 51685 1 426 . HIS . 51685 1 427 . GLN . 51685 1 428 . GLY . 51685 1 429 . ARG . 51685 1 430 . SER . 51685 1 431 . SER . 51685 1 432 . SER . 51685 1 433 . SER . 51685 1 434 . GLY . 51685 1 435 . HIS . 51685 1 436 . TYR . 51685 1 437 . VAL . 51685 1 438 . SER . 51685 1 439 . TRP . 51685 1 440 . VAL . 51685 1 441 . LYS . 51685 1 442 . ARG . 51685 1 443 . LYS . 51685 1 444 . GLN . 51685 1 445 . ASP . 51685 1 446 . GLU . 51685 1 447 . TRP . 51685 1 448 . ILE . 51685 1 449 . LYS . 51685 1 450 . PHE . 51685 1 451 . ASP . 51685 1 452 . ASP . 51685 1 453 . ASP . 51685 1 454 . LYS . 51685 1 455 . VAL . 51685 1 456 . SER . 51685 1 457 . ILE . 51685 1 458 . VAL . 51685 1 459 . THR . 51685 1 460 . PRO . 51685 1 461 . GLU . 51685 1 462 . ASP . 51685 1 463 . ILE . 51685 1 464 . LEU . 51685 1 465 . ARG . 51685 1 466 . LEU . 51685 1 467 . SER . 51685 1 468 . GLY . 51685 1 469 . GLY . 51685 1 470 . GLY . 51685 1 471 . ASP . 51685 1 472 . TRP . 51685 1 473 . HIS . 51685 1 474 . ILE . 51685 1 475 . ALA . 51685 1 476 . TYR . 51685 1 477 . VAL . 51685 1 478 . LEU . 51685 1 479 . LEU . 51685 1 480 . TYR . 51685 1 481 . GLY . 51685 1 482 . PRO . 51685 1 483 . ARG . 51685 1 484 . ARG . 51685 1 485 . VAL . 51685 1 486 . GLU . 51685 1 487 . ILE . 51685 1 488 . MET . 51685 1 489 . GLU . 51685 1 490 . GLU . 51685 1 491 . GLU . 51685 1 492 . SER . 51685 1 493 . GLU . 51685 1 494 . GLN . 51685 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51685 1 . PRO 2 2 51685 1 . LEU 3 3 51685 1 . TYR 4 4 51685 1 . SER 5 5 51685 1 . VAL 6 6 51685 1 . THR 7 7 51685 1 . VAL 8 8 51685 1 . LYS 9 9 51685 1 . TRP 10 10 51685 1 . GLY 11 11 51685 1 . LYS 12 12 51685 1 . GLU 13 13 51685 1 . LYS 14 14 51685 1 . PHE 15 15 51685 1 . GLU 16 16 51685 1 . GLY 17 17 51685 1 . VAL 18 18 51685 1 . GLU 19 19 51685 1 . LEU 20 20 51685 1 . ASN 21 21 51685 1 . THR 22 22 51685 1 . ASP 23 23 51685 1 . GLU 24 24 51685 1 . PRO 25 25 51685 1 . PRO 26 26 51685 1 . MET 27 27 51685 1 . VAL 28 28 51685 1 . PHE 29 29 51685 1 . LYS 30 30 51685 1 . ALA 31 31 51685 1 . GLN 32 32 51685 1 . LEU 33 33 51685 1 . PHE 34 34 51685 1 . ALA 35 35 51685 1 . LEU 36 36 51685 1 . THR 37 37 51685 1 . GLY 38 38 51685 1 . VAL 39 39 51685 1 . GLN 40 40 51685 1 . PRO 41 41 51685 1 . ALA 42 42 51685 1 . ARG 43 43 51685 1 . GLN 44 44 51685 1 . LYS 45 45 51685 1 . VAL 46 46 51685 1 . MET 47 47 51685 1 . VAL 48 48 51685 1 . LYS 49 49 51685 1 . GLY 50 50 51685 1 . GLY 51 51 51685 1 . THR 52 52 51685 1 . LEU 53 53 51685 1 . LYS 54 54 51685 1 . ASP 55 55 51685 1 . ASP 56 56 51685 1 . ASP 57 57 51685 1 . TRP 58 58 51685 1 . GLY 59 59 51685 1 . ASN 60 60 51685 1 . ILE 61 61 51685 1 . LYS 62 62 51685 1 . ILE 63 63 51685 1 . LYS 64 64 51685 1 . ASN 65 65 51685 1 . GLY 66 66 51685 1 . MET 67 67 51685 1 . THR 68 68 51685 1 . LEU 69 69 51685 1 . LEU 70 70 51685 1 . MET 71 71 51685 1 . MET 72 72 51685 1 . GLY 73 73 51685 1 . SER 74 74 51685 1 . ALA 75 75 51685 1 . ASP 76 76 51685 1 . ALA 77 77 51685 1 . LEU 78 78 51685 1 . PRO 79 79 51685 1 . GLU 80 80 51685 1 . GLU 81 81 51685 1 . PRO 82 82 51685 1 . SER 83 83 51685 1 . ALA 84 84 51685 1 . LYS 85 85 51685 1 . THR 86 86 51685 1 . VAL 87 87 51685 1 . PHE 88 88 51685 1 . VAL 89 89 51685 1 . GLU 90 90 51685 1 . ASP 91 91 51685 1 . MET 92 92 51685 1 . THR 93 93 51685 1 . GLU 94 94 51685 1 . GLU 95 95 51685 1 . GLN 96 96 51685 1 . LEU 97 97 51685 1 . ALA 98 98 51685 1 . SER 99 99 51685 1 . ALA 100 100 51685 1 . MET 101 101 51685 1 . GLU 102 102 51685 1 . LEU 103 103 51685 1 . PRO 104 104 51685 1 . CYS 105 105 51685 1 . GLY 106 106 51685 1 . LEU 107 107 51685 1 . THR 108 108 51685 1 . ASN 109 109 51685 1 . LEU 110 110 51685 1 . GLY 111 111 51685 1 . ASN 112 112 51685 1 . THR 113 113 51685 1 . CYS 114 114 51685 1 . TYR 115 115 51685 1 . MET 116 116 51685 1 . ASN 117 117 51685 1 . ALA 118 118 51685 1 . THR 119 119 51685 1 . VAL 120 120 51685 1 . GLN 121 121 51685 1 . CYS 122 122 51685 1 . ILE 123 123 51685 1 . ARG 124 124 51685 1 . SER 125 125 51685 1 . VAL 126 126 51685 1 . PRO 127 127 51685 1 . GLU 128 128 51685 1 . LEU 129 129 51685 1 . LYS 130 130 51685 1 . ASP 131 131 51685 1 . ALA 132 132 51685 1 . LEU 133 133 51685 1 . LYS 134 134 51685 1 . ARG 135 135 51685 1 . TYR 136 136 51685 1 . ALA 137 137 51685 1 . GLY 138 138 51685 1 . ALA 139 139 51685 1 . LEU 140 140 51685 1 . ARG 141 141 51685 1 . ALA 142 142 51685 1 . SER 143 143 51685 1 . GLY 144 144 51685 1 . GLU 145 145 51685 1 . MET 146 146 51685 1 . ALA 147 147 51685 1 . SER 148 148 51685 1 . ALA 149 149 51685 1 . GLN 150 150 51685 1 . TYR 151 151 51685 1 . ILE 152 152 51685 1 . THR 153 153 51685 1 . ALA 154 154 51685 1 . ALA 155 155 51685 1 . LEU 156 156 51685 1 . ARG 157 157 51685 1 . ASP 158 158 51685 1 . LEU 159 159 51685 1 . PHE 160 160 51685 1 . ASP 161 161 51685 1 . SER 162 162 51685 1 . MET 163 163 51685 1 . ASP 164 164 51685 1 . LYS 165 165 51685 1 . THR 166 166 51685 1 . SER 167 167 51685 1 . SER 168 168 51685 1 . SER 169 169 51685 1 . ILE 170 170 51685 1 . PRO 171 171 51685 1 . PRO 172 172 51685 1 . ILE 173 173 51685 1 . ILE 174 174 51685 1 . LEU 175 175 51685 1 . LEU 176 176 51685 1 . GLN 177 177 51685 1 . PHE 178 178 51685 1 . LEU 179 179 51685 1 . HIS 180 180 51685 1 . MET 181 181 51685 1 . ALA 182 182 51685 1 . PHE 183 183 51685 1 . PRO 184 184 51685 1 . GLN 185 185 51685 1 . PHE 186 186 51685 1 . ALA 187 187 51685 1 . GLU 188 188 51685 1 . LYS 189 189 51685 1 . GLY 190 190 51685 1 . GLU 191 191 51685 1 . GLN 192 192 51685 1 . GLY 193 193 51685 1 . GLN 194 194 51685 1 . TYR 195 195 51685 1 . LEU 196 196 51685 1 . GLN 197 197 51685 1 . GLN 198 198 51685 1 . ASP 199 199 51685 1 . ALA 200 200 51685 1 . ASN 201 201 51685 1 . GLU 202 202 51685 1 . CYS 203 203 51685 1 . TRP 204 204 51685 1 . ILE 205 205 51685 1 . GLN 206 206 51685 1 . MET 207 207 51685 1 . MET 208 208 51685 1 . ARG 209 209 51685 1 . VAL 210 210 51685 1 . LEU 211 211 51685 1 . GLN 212 212 51685 1 . GLN 213 213 51685 1 . LYS 214 214 51685 1 . LEU 215 215 51685 1 . GLU 216 216 51685 1 . ALA 217 217 51685 1 . ILE 218 218 51685 1 . GLU 219 219 51685 1 . ASP 220 220 51685 1 . ASP 221 221 51685 1 . SER 222 222 51685 1 . VAL 223 223 51685 1 . LYS 224 224 51685 1 . GLU 225 225 51685 1 . THR 226 226 51685 1 . ASP 227 227 51685 1 . SER 228 228 51685 1 . SER 229 229 51685 1 . SER 230 230 51685 1 . ALA 231 231 51685 1 . SER 232 232 51685 1 . ALA 233 233 51685 1 . ALA 234 234 51685 1 . THR 235 235 51685 1 . PRO 236 236 51685 1 . SER 237 237 51685 1 . LYS 238 238 51685 1 . LYS 239 239 51685 1 . LYS 240 240 51685 1 . SER 241 241 51685 1 . LEU 242 242 51685 1 . ILE 243 243 51685 1 . ASP 244 244 51685 1 . GLN 245 245 51685 1 . PHE 246 246 51685 1 . PHE 247 247 51685 1 . GLY 248 248 51685 1 . VAL 249 249 51685 1 . GLU 250 250 51685 1 . PHE 251 251 51685 1 . GLU 252 252 51685 1 . THR 253 253 51685 1 . THR 254 254 51685 1 . MET 255 255 51685 1 . LYS 256 256 51685 1 . CYS 257 257 51685 1 . THR 258 258 51685 1 . GLU 259 259 51685 1 . SER 260 260 51685 1 . GLU 261 261 51685 1 . GLU 262 262 51685 1 . GLU 263 263 51685 1 . GLU 264 264 51685 1 . VAL 265 265 51685 1 . THR 266 266 51685 1 . LYS 267 267 51685 1 . GLY 268 268 51685 1 . LYS 269 269 51685 1 . GLU 270 270 51685 1 . ASN 271 271 51685 1 . GLN 272 272 51685 1 . LEU 273 273 51685 1 . GLN 274 274 51685 1 . LEU 275 275 51685 1 . SER 276 276 51685 1 . CYS 277 277 51685 1 . PHE 278 278 51685 1 . ILE 279 279 51685 1 . ASN 280 280 51685 1 . GLN 281 281 51685 1 . GLU 282 282 51685 1 . VAL 283 283 51685 1 . LYS 284 284 51685 1 . TYR 285 285 51685 1 . LEU 286 286 51685 1 . PHE 287 287 51685 1 . THR 288 288 51685 1 . GLY 289 289 51685 1 . LEU 290 290 51685 1 . LYS 291 291 51685 1 . LEU 292 292 51685 1 . ARG 293 293 51685 1 . LEU 294 294 51685 1 . GLN 295 295 51685 1 . GLU 296 296 51685 1 . GLU 297 297 51685 1 . ILE 298 298 51685 1 . THR 299 299 51685 1 . LYS 300 300 51685 1 . GLN 301 301 51685 1 . SER 302 302 51685 1 . PRO 303 303 51685 1 . THR 304 304 51685 1 . LEU 305 305 51685 1 . GLN 306 306 51685 1 . ARG 307 307 51685 1 . ASN 308 308 51685 1 . ALA 309 309 51685 1 . LEU 310 310 51685 1 . TYR 311 311 51685 1 . ILE 312 312 51685 1 . LYS 313 313 51685 1 . SER 314 314 51685 1 . SER 315 315 51685 1 . LYS 316 316 51685 1 . ILE 317 317 51685 1 . SER 318 318 51685 1 . ARG 319 319 51685 1 . LEU 320 320 51685 1 . PRO 321 321 51685 1 . ALA 322 322 51685 1 . TYR 323 323 51685 1 . LEU 324 324 51685 1 . THR 325 325 51685 1 . ILE 326 326 51685 1 . GLN 327 327 51685 1 . MET 328 328 51685 1 . VAL 329 329 51685 1 . ARG 330 330 51685 1 . PHE 331 331 51685 1 . PHE 332 332 51685 1 . TYR 333 333 51685 1 . LYS 334 334 51685 1 . GLU 335 335 51685 1 . LYS 336 336 51685 1 . GLU 337 337 51685 1 . SER 338 338 51685 1 . VAL 339 339 51685 1 . ASN 340 340 51685 1 . ALA 341 341 51685 1 . LYS 342 342 51685 1 . VAL 343 343 51685 1 . LEU 344 344 51685 1 . LYS 345 345 51685 1 . ASP 346 346 51685 1 . VAL 347 347 51685 1 . LYS 348 348 51685 1 . PHE 349 349 51685 1 . PRO 350 350 51685 1 . LEU 351 351 51685 1 . MET 352 352 51685 1 . LEU 353 353 51685 1 . ASP 354 354 51685 1 . MET 355 355 51685 1 . TYR 356 356 51685 1 . GLU 357 357 51685 1 . LEU 358 358 51685 1 . CYS 359 359 51685 1 . THR 360 360 51685 1 . PRO 361 361 51685 1 . GLU 362 362 51685 1 . LEU 363 363 51685 1 . GLN 364 364 51685 1 . GLU 365 365 51685 1 . LYS 366 366 51685 1 . MET 367 367 51685 1 . VAL 368 368 51685 1 . SER 369 369 51685 1 . PHE 370 370 51685 1 . ARG 371 371 51685 1 . SER 372 372 51685 1 . LYS 373 373 51685 1 . PHE 374 374 51685 1 . LYS 375 375 51685 1 . ASP 376 376 51685 1 . LEU 377 377 51685 1 . GLU 378 378 51685 1 . ASP 379 379 51685 1 . LYS 380 380 51685 1 . LYS 381 381 51685 1 . VAL 382 382 51685 1 . ASN 383 383 51685 1 . GLN 384 384 51685 1 . GLN 385 385 51685 1 . PRO 386 386 51685 1 . ASN 387 387 51685 1 . THR 388 388 51685 1 . SER 389 389 51685 1 . ASP 390 390 51685 1 . LYS 391 391 51685 1 . LYS 392 392 51685 1 . SER 393 393 51685 1 . SER 394 394 51685 1 . PRO 395 395 51685 1 . GLN 396 396 51685 1 . LYS 397 397 51685 1 . GLU 398 398 51685 1 . VAL 399 399 51685 1 . LYS 400 400 51685 1 . TYR 401 401 51685 1 . GLU 402 402 51685 1 . PRO 403 403 51685 1 . PHE 404 404 51685 1 . SER 405 405 51685 1 . PHE 406 406 51685 1 . ALA 407 407 51685 1 . ASP 408 408 51685 1 . ASP 409 409 51685 1 . ILE 410 410 51685 1 . GLY 411 411 51685 1 . SER 412 412 51685 1 . ASN 413 413 51685 1 . ASN 414 414 51685 1 . CYS 415 415 51685 1 . GLY 416 416 51685 1 . TYR 417 417 51685 1 . TYR 418 418 51685 1 . ASP 419 419 51685 1 . LEU 420 420 51685 1 . GLN 421 421 51685 1 . ALA 422 422 51685 1 . VAL 423 423 51685 1 . LEU 424 424 51685 1 . THR 425 425 51685 1 . HIS 426 426 51685 1 . GLN 427 427 51685 1 . GLY 428 428 51685 1 . ARG 429 429 51685 1 . SER 430 430 51685 1 . SER 431 431 51685 1 . SER 432 432 51685 1 . SER 433 433 51685 1 . GLY 434 434 51685 1 . HIS 435 435 51685 1 . TYR 436 436 51685 1 . VAL 437 437 51685 1 . SER 438 438 51685 1 . TRP 439 439 51685 1 . VAL 440 440 51685 1 . LYS 441 441 51685 1 . ARG 442 442 51685 1 . LYS 443 443 51685 1 . GLN 444 444 51685 1 . ASP 445 445 51685 1 . GLU 446 446 51685 1 . TRP 447 447 51685 1 . ILE 448 448 51685 1 . LYS 449 449 51685 1 . PHE 450 450 51685 1 . ASP 451 451 51685 1 . ASP 452 452 51685 1 . ASP 453 453 51685 1 . LYS 454 454 51685 1 . VAL 455 455 51685 1 . SER 456 456 51685 1 . ILE 457 457 51685 1 . VAL 458 458 51685 1 . THR 459 459 51685 1 . PRO 460 460 51685 1 . GLU 461 461 51685 1 . ASP 462 462 51685 1 . ILE 463 463 51685 1 . LEU 464 464 51685 1 . ARG 465 465 51685 1 . LEU 466 466 51685 1 . SER 467 467 51685 1 . GLY 468 468 51685 1 . GLY 469 469 51685 1 . GLY 470 470 51685 1 . ASP 471 471 51685 1 . TRP 472 472 51685 1 . HIS 473 473 51685 1 . ILE 474 474 51685 1 . ALA 475 475 51685 1 . TYR 476 476 51685 1 . VAL 477 477 51685 1 . LEU 478 478 51685 1 . LEU 479 479 51685 1 . TYR 480 480 51685 1 . GLY 481 481 51685 1 . PRO 482 482 51685 1 . ARG 483 483 51685 1 . ARG 484 484 51685 1 . VAL 485 485 51685 1 . GLU 486 486 51685 1 . ILE 487 487 51685 1 . MET 488 488 51685 1 . GLU 489 489 51685 1 . GLU 490 490 51685 1 . GLU 491 491 51685 1 . SER 492 492 51685 1 . GLU 493 493 51685 1 . GLN 494 494 51685 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 51685 _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 . . . . . . . . . . . . . 51685 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 51685 _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 . . pNIC-28-Bsa4 . . . 51685 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51685 _Sample.ID 1 _Sample.Name '13C 15N labeled USP14' _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 USP14 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 51685 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51685 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51685 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51685 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mM . . . . 51685 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 51685 _Sample_condition_list.ID 1 _Sample_condition_list.Name '298.15 kelvin, pH 6.9' _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 pH 6.9 . pH 51685 1 pressure 1 . atm 51685 1 temperature 298.15 . K 51685 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51685 _Sample_condition_list.ID 2 _Sample_condition_list.Name '303.15 kelvin, pH 6.9' _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 pH 6.9 . pH 51685 2 pressure 1 . atm 51685 2 temperature 303.15 . K 51685 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51685 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51685 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51685 _Software.ID 2 _Software.Type . _Software.Name PINT _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51685 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51685 _Software.ID 3 _Software.Type . _Software.Name COMPASS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51685 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51685 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51685 4 'peak picking' . 51685 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51685 _Software.ID 5 _Software.Type . _Software.Name Tensor2 _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51685 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 51685 _Software.ID 6 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51685 6 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 51685 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian INOVA 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 51685 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 6 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 7 'T1rho/R1rho relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 8 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 9 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51685 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 51685 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51685 1 H 1 water protons . . . . ppm 4.773 internal direct 1.000000000 . . . . . 51685 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51685 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 51685 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51685 1 2 '3D HNCO' . . . 51685 1 3 '3D HN(CA)CO' . . . 51685 1 4 '3D HNCACB' . . . 51685 1 5 '3D CBCA(CO)NH' . . . 51685 1 9 '3D HNCA' . . . 51685 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 . . 51685 1 3 $software_3 . . 51685 1 4 $software_4 . . 51685 1 6 $software_6 . . 51685 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 2 2 PRO C C 13 174.205 0.016 . 1 . . . . . 2 PRO CO . 51685 1 2 . 1 . 1 2 2 PRO CA C 13 62.966 0.028 . 1 . . . . . 2 PRO CA . 51685 1 3 . 1 . 1 2 2 PRO CB C 13 30.820 0.037 . 1 . . . . . 2 PRO CB . 51685 1 4 . 1 . 1 3 3 LEU H H 1 7.332 0.003 . 1 . . . . . 3 LEU HN . 51685 1 5 . 1 . 1 3 3 LEU C C 13 176.393 0.003 . 1 . . . . . 3 LEU CO . 51685 1 6 . 1 . 1 3 3 LEU CA C 13 54.230 0.053 . 1 . . . . . 3 LEU CA . 51685 1 7 . 1 . 1 3 3 LEU CB C 13 43.591 0.002 . 1 . . . . . 3 LEU CB . 51685 1 8 . 1 . 1 3 3 LEU N N 15 121.407 0.028 . 1 . . . . . 3 LEU N . 51685 1 9 . 1 . 1 4 4 TYR H H 1 8.713 0.003 . 1 . . . . . 4 TYR HN . 51685 1 10 . 1 . 1 4 4 TYR C C 13 174.850 0.022 . 1 . . . . . 4 TYR CO . 51685 1 11 . 1 . 1 4 4 TYR CA C 13 56.644 0.053 . 1 . . . . . 4 TYR CA . 51685 1 12 . 1 . 1 4 4 TYR CB C 13 41.889 0.000 . 1 . . . . . 4 TYR CB . 51685 1 13 . 1 . 1 4 4 TYR N N 15 122.297 0.033 . 1 . . . . . 4 TYR N . 51685 1 14 . 1 . 1 5 5 SER H H 1 8.564 0.002 . 1 . . . . . 5 SER HN . 51685 1 15 . 1 . 1 5 5 SER C C 13 174.746 0.000 . 1 . . . . . 5 SER CO . 51685 1 16 . 1 . 1 5 5 SER CA C 13 56.660 0.045 . 1 . . . . . 5 SER CA . 51685 1 17 . 1 . 1 5 5 SER CB C 13 64.367 0.008 . 1 . . . . . 5 SER CB . 51685 1 18 . 1 . 1 5 5 SER N N 15 116.495 0.032 . 1 . . . . . 5 SER N . 51685 1 19 . 1 . 1 6 6 VAL H H 1 9.348 0.021 . 1 . . . . . 6 VAL HN . 51685 1 20 . 1 . 1 6 6 VAL C C 13 174.012 0.022 . 1 . . . . . 6 VAL CO . 51685 1 21 . 1 . 1 6 6 VAL CA C 13 59.417 0.035 . 1 . . . . . 6 VAL CA . 51685 1 22 . 1 . 1 6 6 VAL CB C 13 35.378 0.000 . 1 . . . . . 6 VAL CB . 51685 1 23 . 1 . 1 6 6 VAL N N 15 119.928 0.010 . 1 . . . . . 6 VAL N . 51685 1 24 . 1 . 1 7 7 THR H H 1 8.738 0.006 . 1 . . . . . 7 THR HN . 51685 1 25 . 1 . 1 7 7 THR C C 13 173.790 0.040 . 1 . . . . . 7 THR CO . 51685 1 26 . 1 . 1 7 7 THR CA C 13 61.306 0.245 . 1 . . . . . 7 THR CA . 51685 1 27 . 1 . 1 7 7 THR CB C 13 70.883 0.004 . 1 . . . . . 7 THR CB . 51685 1 28 . 1 . 1 7 7 THR N N 15 117.415 0.026 . 1 . . . . . 7 THR N . 51685 1 29 . 1 . 1 8 8 VAL H H 1 9.288 0.008 . 1 . . . . . 8 VAL HN . 51685 1 30 . 1 . 1 8 8 VAL C C 13 174.817 0.002 . 1 . . . . . 8 VAL CO . 51685 1 31 . 1 . 1 8 8 VAL CA C 13 60.680 0.065 . 1 . . . . . 8 VAL CA . 51685 1 32 . 1 . 1 8 8 VAL CB C 13 34.919 0.000 . 1 . . . . . 8 VAL CB . 51685 1 33 . 1 . 1 8 8 VAL N N 15 126.007 0.019 . 1 . . . . . 8 VAL N . 51685 1 34 . 1 . 1 9 9 LYS H H 1 8.956 0.003 . 1 . . . . . 9 LYS HN . 51685 1 35 . 1 . 1 9 9 LYS C C 13 174.259 0.016 . 1 . . . . . 9 LYS CO . 51685 1 36 . 1 . 1 9 9 LYS CA C 13 55.155 0.072 . 1 . . . . . 9 LYS CA . 51685 1 37 . 1 . 1 9 9 LYS CB C 13 34.985 0.006 . 1 . . . . . 9 LYS CB . 51685 1 38 . 1 . 1 9 9 LYS N N 15 128.161 0.021 . 1 . . . . . 9 LYS N . 51685 1 39 . 1 . 1 10 10 TRP H H 1 8.507 0.003 . 1 . . . . . 10 TRP HN . 51685 1 40 . 1 . 1 10 10 TRP C C 13 174.967 0.631 . 1 . . . . . 10 TRP CO . 51685 1 41 . 1 . 1 10 10 TRP CA C 13 55.534 0.103 . 1 . . . . . 10 TRP CA . 51685 1 42 . 1 . 1 10 10 TRP N N 15 127.047 0.004 . 1 . . . . . 10 TRP N . 51685 1 43 . 1 . 1 11 11 GLY H H 1 9.223 0.005 . 1 . . . . . 11 GLY HN . 51685 1 44 . 1 . 1 11 11 GLY C C 13 175.382 0.000 . 1 . . . . . 11 GLY CO . 51685 1 45 . 1 . 1 11 11 GLY CA C 13 46.922 0.043 . 1 . . . . . 11 GLY CA . 51685 1 46 . 1 . 1 11 11 GLY N N 15 117.610 0.028 . 1 . . . . . 11 GLY N . 51685 1 47 . 1 . 1 12 12 LYS H H 1 8.858 0.001 . 1 . . . . . 12 LYS HN . 51685 1 48 . 1 . 1 12 12 LYS C C 13 176.542 0.000 . 1 . . . . . 12 LYS CO . 51685 1 49 . 1 . 1 12 12 LYS CA C 13 56.399 0.024 . 1 . . . . . 12 LYS CA . 51685 1 50 . 1 . 1 12 12 LYS CB C 13 32.498 0.037 . 1 . . . . . 12 LYS CB . 51685 1 51 . 1 . 1 12 12 LYS N N 15 127.080 0.016 . 1 . . . . . 12 LYS N . 51685 1 52 . 1 . 1 13 13 GLU H H 1 8.331 0.003 . 1 . . . . . 13 GLU HN . 51685 1 53 . 1 . 1 13 13 GLU C C 13 175.630 0.017 . 1 . . . . . 13 GLU CO . 51685 1 54 . 1 . 1 13 13 GLU CA C 13 55.084 0.020 . 1 . . . . . 13 GLU CA . 51685 1 55 . 1 . 1 13 13 GLU CB C 13 31.159 0.000 . 1 . . . . . 13 GLU CB . 51685 1 56 . 1 . 1 13 13 GLU N N 15 120.475 0.009 . 1 . . . . . 13 GLU N . 51685 1 57 . 1 . 1 14 14 LYS H H 1 8.338 0.003 . 1 . . . . . 14 LYS HN . 51685 1 58 . 1 . 1 14 14 LYS C C 13 174.588 0.389 . 1 . . . . . 14 LYS CO . 51685 1 59 . 1 . 1 14 14 LYS CA C 13 55.275 0.042 . 1 . . . . . 14 LYS CA . 51685 1 60 . 1 . 1 14 14 LYS CB C 13 35.142 0.117 . 1 . . . . . 14 LYS CB . 51685 1 61 . 1 . 1 14 14 LYS N N 15 122.333 0.010 . 1 . . . . . 14 LYS N . 51685 1 62 . 1 . 1 15 15 PHE H H 1 9.323 0.006 . 1 . . . . . 15 PHE HN . 51685 1 63 . 1 . 1 15 15 PHE C C 13 174.502 0.000 . 1 . . . . . 15 PHE CO . 51685 1 64 . 1 . 1 15 15 PHE CA C 13 53.740 6.091 . 1 . . . . . 15 PHE CA . 51685 1 65 . 1 . 1 15 15 PHE N N 15 126.006 0.029 . 1 . . . . . 15 PHE N . 51685 1 66 . 1 . 1 16 16 GLU H H 1 8.823 0.003 . 1 . . . . . 16 GLU HN . 51685 1 67 . 1 . 1 16 16 GLU C C 13 177.385 0.000 . 1 . . . . . 16 GLU CO . 51685 1 68 . 1 . 1 16 16 GLU CA C 13 55.572 0.090 . 1 . . . . . 16 GLU CA . 51685 1 69 . 1 . 1 16 16 GLU CB C 13 32.057 0.065 . 1 . . . . . 16 GLU CB . 51685 1 70 . 1 . 1 16 16 GLU N N 15 122.522 0.025 . 1 . . . . . 16 GLU N . 51685 1 71 . 1 . 1 17 17 GLY H H 1 8.690 0.004 . 1 . . . . . 17 GLY HN . 51685 1 72 . 1 . 1 17 17 GLY C C 13 175.246 0.000 . 1 . . . . . 17 GLY CO . 51685 1 73 . 1 . 1 17 17 GLY CA C 13 47.152 0.054 . 1 . . . . . 17 GLY CA . 51685 1 74 . 1 . 1 17 17 GLY N N 15 112.422 0.031 . 1 . . . . . 17 GLY N . 51685 1 75 . 1 . 1 18 18 VAL H H 1 8.955 0.004 . 1 . . . . . 18 VAL HN . 51685 1 76 . 1 . 1 18 18 VAL C C 13 175.710 0.009 . 1 . . . . . 18 VAL CO . 51685 1 77 . 1 . 1 18 18 VAL CA C 13 63.007 0.014 . 1 . . . . . 18 VAL CA . 51685 1 78 . 1 . 1 18 18 VAL CB C 13 31.981 0.173 . 1 . . . . . 18 VAL CB . 51685 1 79 . 1 . 1 18 18 VAL N N 15 123.516 0.033 . 1 . . . . . 18 VAL N . 51685 1 80 . 1 . 1 19 19 GLU H H 1 8.554 0.005 . 1 . . . . . 19 GLU HN . 51685 1 81 . 1 . 1 19 19 GLU C C 13 175.351 0.019 . 1 . . . . . 19 GLU CO . 51685 1 82 . 1 . 1 19 19 GLU CA C 13 56.828 0.108 . 1 . . . . . 19 GLU CA . 51685 1 83 . 1 . 1 19 19 GLU CB C 13 31.025 0.009 . 1 . . . . . 19 GLU CB . 51685 1 84 . 1 . 1 19 19 GLU N N 15 127.998 0.034 . 1 . . . . . 19 GLU N . 51685 1 85 . 1 . 1 20 20 LEU H H 1 8.649 0.007 . 1 . . . . . 20 LEU HN . 51685 1 86 . 1 . 1 20 20 LEU C C 13 174.116 0.000 . 1 . . . . . 20 LEU CO . 51685 1 87 . 1 . 1 20 20 LEU CA C 13 55.448 0.030 . 1 . . . . . 20 LEU CA . 51685 1 88 . 1 . 1 20 20 LEU CB C 13 45.668 0.000 . 1 . . . . . 20 LEU CB . 51685 1 89 . 1 . 1 20 20 LEU N N 15 126.785 0.012 . 1 . . . . . 20 LEU N . 51685 1 90 . 1 . 1 21 21 ASN H H 1 9.256 0.004 . 1 . . . . . 21 ASN HN . 51685 1 91 . 1 . 1 21 21 ASN C C 13 177.210 0.000 . 1 . . . . . 21 ASN CO . 51685 1 92 . 1 . 1 21 21 ASN CA C 13 50.837 0.053 . 1 . . . . . 21 ASN CA . 51685 1 93 . 1 . 1 21 21 ASN CB C 13 40.069 0.079 . 1 . . . . . 21 ASN CB . 51685 1 94 . 1 . 1 21 21 ASN N N 15 124.894 0.025 . 1 . . . . . 21 ASN N . 51685 1 95 . 1 . 1 22 22 THR H H 1 8.488 0.007 . 1 . . . . . 22 THR HN . 51685 1 96 . 1 . 1 22 22 THR C C 13 175.253 0.000 . 1 . . . . . 22 THR CO . 51685 1 97 . 1 . 1 22 22 THR CA C 13 63.484 0.060 . 1 . . . . . 22 THR CA . 51685 1 98 . 1 . 1 22 22 THR N N 15 115.259 0.009 . 1 . . . . . 22 THR N . 51685 1 99 . 1 . 1 23 23 ASP H H 1 8.537 0.001 . 1 . . . . . 23 ASP HN . 51685 1 100 . 1 . 1 23 23 ASP C C 13 176.540 0.000 . 1 . . . . . 23 ASP CO . 51685 1 101 . 1 . 1 23 23 ASP CA C 13 55.365 0.053 . 1 . . . . . 23 ASP CA . 51685 1 102 . 1 . 1 23 23 ASP CB C 13 38.485 4.482 . 1 . . . . . 23 ASP CB . 51685 1 103 . 1 . 1 23 23 ASP N N 15 121.696 0.008 . 1 . . . . . 23 ASP N . 51685 1 104 . 1 . 1 24 24 GLU H H 1 7.378 0.002 . 1 . . . . . 24 GLU HN . 51685 1 105 . 1 . 1 24 24 GLU C C 13 173.438 0.000 . 1 . . . . . 24 GLU CO . 51685 1 106 . 1 . 1 24 24 GLU CA C 13 53.207 0.003 . 1 . . . . . 24 GLU CA . 51685 1 107 . 1 . 1 24 24 GLU N N 15 119.385 0.019 . 1 . . . . . 24 GLU N . 51685 1 108 . 1 . 1 26 26 PRO C C 13 178.063 0.000 . 1 . . . . . 26 PRO CO . 51685 1 109 . 1 . 1 26 26 PRO CA C 13 64.835 0.018 . 1 . . . . . 26 PRO CA . 51685 1 110 . 1 . 1 27 27 MET H H 1 7.821 0.005 . 1 . . . . . 27 MET HN . 51685 1 111 . 1 . 1 27 27 MET C C 13 177.521 0.000 . 1 . . . . . 27 MET CO . 51685 1 112 . 1 . 1 27 27 MET CA C 13 58.153 0.017 . 1 . . . . . 27 MET CA . 51685 1 113 . 1 . 1 27 27 MET CB C 13 32.068 0.006 . 1 . . . . . 27 MET CB . 51685 1 114 . 1 . 1 27 27 MET N N 15 113.500 0.012 . 1 . . . . . 27 MET N . 51685 1 115 . 1 . 1 28 28 VAL H H 1 7.988 0.003 . 1 . . . . . 28 VAL HN . 51685 1 116 . 1 . 1 28 28 VAL C C 13 178.414 0.000 . 1 . . . . . 28 VAL CO . 51685 1 117 . 1 . 1 28 28 VAL CA C 13 66.754 0.104 . 1 . . . . . 28 VAL CA . 51685 1 118 . 1 . 1 28 28 VAL N N 15 121.233 0.029 . 1 . . . . . 28 VAL N . 51685 1 119 . 1 . 1 29 29 PHE H H 1 7.001 0.004 . 1 . . . . . 29 PHE HN . 51685 1 120 . 1 . 1 29 29 PHE C C 13 177.999 0.027 . 1 . . . . . 29 PHE CO . 51685 1 121 . 1 . 1 29 29 PHE CA C 13 60.756 0.063 . 1 . . . . . 29 PHE CA . 51685 1 122 . 1 . 1 29 29 PHE CB C 13 39.330 0.000 . 1 . . . . . 29 PHE CB . 51685 1 123 . 1 . 1 29 29 PHE N N 15 123.118 0.026 . 1 . . . . . 29 PHE N . 51685 1 124 . 1 . 1 30 30 LYS H H 1 8.479 0.007 . 1 . . . . . 30 LYS HN . 51685 1 125 . 1 . 1 30 30 LYS C C 13 180.111 0.000 . 1 . . . . . 30 LYS CO . 51685 1 126 . 1 . 1 30 30 LYS CA C 13 60.194 0.000 . 1 . . . . . 30 LYS CA . 51685 1 127 . 1 . 1 30 30 LYS N N 15 118.170 0.008 . 1 . . . . . 30 LYS N . 51685 1 128 . 1 . 1 31 31 ALA H H 1 8.337 0.003 . 1 . . . . . 31 ALA HN . 51685 1 129 . 1 . 1 31 31 ALA C C 13 180.952 0.000 . 1 . . . . . 31 ALA CO . 51685 1 130 . 1 . 1 31 31 ALA CA C 13 55.843 0.048 . 1 . . . . . 31 ALA CA . 51685 1 131 . 1 . 1 31 31 ALA CB C 13 17.484 0.002 . 1 . . . . . 31 ALA CB . 51685 1 132 . 1 . 1 31 31 ALA N N 15 124.208 0.019 . 1 . . . . . 31 ALA N . 51685 1 133 . 1 . 1 32 32 GLN H H 1 7.682 0.004 . 1 . . . . . 32 GLN HN . 51685 1 134 . 1 . 1 32 32 GLN C C 13 178.954 0.005 . 1 . . . . . 32 GLN CO . 51685 1 135 . 1 . 1 32 32 GLN CA C 13 58.631 0.120 . 1 . . . . . 32 GLN CA . 51685 1 136 . 1 . 1 32 32 GLN CB C 13 28.102 0.045 . 1 . . . . . 32 GLN CB . 51685 1 137 . 1 . 1 32 32 GLN N N 15 122.169 0.030 . 1 . . . . . 32 GLN N . 51685 1 138 . 1 . 1 33 33 LEU H H 1 8.012 0.005 . 1 . . . . . 33 LEU HN . 51685 1 139 . 1 . 1 33 33 LEU C C 13 180.952 0.000 . 1 . . . . . 33 LEU CO . 51685 1 140 . 1 . 1 33 33 LEU CA C 13 57.448 0.033 . 1 . . . . . 33 LEU CA . 51685 1 141 . 1 . 1 33 33 LEU CB C 13 39.724 0.000 . 1 . . . . . 33 LEU CB . 51685 1 142 . 1 . 1 33 33 LEU N N 15 118.525 0.016 . 1 . . . . . 33 LEU N . 51685 1 143 . 1 . 1 34 34 PHE H H 1 8.333 0.005 . 1 . . . . . 34 PHE HN . 51685 1 144 . 1 . 1 34 34 PHE C C 13 177.621 0.050 . 1 . . . . . 34 PHE CO . 51685 1 145 . 1 . 1 34 34 PHE CA C 13 58.830 0.030 . 1 . . . . . 34 PHE CA . 51685 1 146 . 1 . 1 34 34 PHE CB C 13 38.040 0.000 . 1 . . . . . 34 PHE CB . 51685 1 147 . 1 . 1 34 34 PHE N N 15 125.125 0.016 . 1 . . . . . 34 PHE N . 51685 1 148 . 1 . 1 35 35 ALA H H 1 7.419 0.002 . 1 . . . . . 35 ALA HN . 51685 1 149 . 1 . 1 35 35 ALA C C 13 179.152 0.000 . 1 . . . . . 35 ALA CO . 51685 1 150 . 1 . 1 35 35 ALA CA C 13 54.851 0.057 . 1 . . . . . 35 ALA CA . 51685 1 151 . 1 . 1 35 35 ALA CB C 13 17.388 0.016 . 1 . . . . . 35 ALA CB . 51685 1 152 . 1 . 1 35 35 ALA N N 15 124.264 0.028 . 1 . . . . . 35 ALA N . 51685 1 153 . 1 . 1 36 36 LEU H H 1 7.044 0.004 . 1 . . . . . 36 LEU HN . 51685 1 154 . 1 . 1 36 36 LEU C C 13 177.911 0.026 . 1 . . . . . 36 LEU CO . 51685 1 155 . 1 . 1 36 36 LEU CA C 13 56.858 0.075 . 1 . . . . . 36 LEU CA . 51685 1 156 . 1 . 1 36 36 LEU CB C 13 43.385 0.000 . 1 . . . . . 36 LEU CB . 51685 1 157 . 1 . 1 36 36 LEU N N 15 114.172 0.019 . 1 . . . . . 36 LEU N . 51685 1 158 . 1 . 1 37 37 THR H H 1 7.350 0.002 . 1 . . . . . 37 THR HN . 51685 1 159 . 1 . 1 37 37 THR C C 13 175.079 0.000 . 1 . . . . . 37 THR CO . 51685 1 160 . 1 . 1 37 37 THR CA C 13 62.828 0.042 . 1 . . . . . 37 THR CA . 51685 1 161 . 1 . 1 37 37 THR N N 15 122.203 11.178 . 1 . . . . . 37 THR N . 51685 1 162 . 1 . 1 38 38 GLY H H 1 8.367 0.003 . 1 . . . . . 38 GLY HN . 51685 1 163 . 1 . 1 38 38 GLY C C 13 173.502 0.000 . 1 . . . . . 38 GLY CO . 51685 1 164 . 1 . 1 38 38 GLY CA C 13 45.274 0.018 . 1 . . . . . 38 GLY CA . 51685 1 165 . 1 . 1 38 38 GLY N N 15 111.098 0.025 . 1 . . . . . 38 GLY N . 51685 1 166 . 1 . 1 39 39 VAL H H 1 7.793 0.004 . 1 . . . . . 39 VAL HN . 51685 1 167 . 1 . 1 39 39 VAL C C 13 175.041 0.007 . 1 . . . . . 39 VAL CO . 51685 1 168 . 1 . 1 39 39 VAL CA C 13 62.473 0.065 . 1 . . . . . 39 VAL CA . 51685 1 169 . 1 . 1 39 39 VAL CB C 13 30.701 0.087 . 1 . . . . . 39 VAL CB . 51685 1 170 . 1 . 1 39 39 VAL N N 15 121.415 0.029 . 1 . . . . . 39 VAL N . 51685 1 171 . 1 . 1 40 40 GLN H H 1 8.777 0.004 . 1 . . . . . 40 GLN HN . 51685 1 172 . 1 . 1 40 40 GLN C C 13 175.283 0.000 . 1 . . . . . 40 GLN CO . 51685 1 173 . 1 . 1 40 40 GLN CA C 13 55.251 0.009 . 1 . . . . . 40 GLN CA . 51685 1 174 . 1 . 1 40 40 GLN CB C 13 26.733 0.000 . 1 . . . . . 40 GLN CB . 51685 1 175 . 1 . 1 40 40 GLN N N 15 129.520 0.010 . 1 . . . . . 40 GLN N . 51685 1 176 . 1 . 1 41 41 PRO C C 13 177.811 0.000 . 1 . . . . . 41 PRO CO . 51685 1 177 . 1 . 1 42 42 ALA H H 1 8.372 0.002 . 1 . . . . . 42 ALA HN . 51685 1 178 . 1 . 1 42 42 ALA C C 13 178.572 0.026 . 1 . . . . . 42 ALA CO . 51685 1 179 . 1 . 1 42 42 ALA CA C 13 54.203 0.026 . 1 . . . . . 42 ALA CA . 51685 1 180 . 1 . 1 42 42 ALA CB C 13 21.879 5.303 . 1 . . . . . 42 ALA CB . 51685 1 181 . 1 . 1 42 42 ALA N N 15 116.508 0.014 . 1 . . . . . 42 ALA N . 51685 1 182 . 1 . 1 43 43 ARG H H 1 7.935 0.008 . 1 . . . . . 43 ARG HN . 51685 1 183 . 1 . 1 43 43 ARG C C 13 175.652 0.002 . 1 . . . . . 43 ARG CO . 51685 1 184 . 1 . 1 43 43 ARG CA C 13 55.131 0.102 . 1 . . . . . 43 ARG CA . 51685 1 185 . 1 . 1 43 43 ARG CB C 13 31.027 0.004 . 1 . . . . . 43 ARG CB . 51685 1 186 . 1 . 1 43 43 ARG N N 15 115.030 0.038 . 1 . . . . . 43 ARG N . 51685 1 187 . 1 . 1 44 44 GLN H H 1 7.129 0.004 . 1 . . . . . 44 GLN HN . 51685 1 188 . 1 . 1 44 44 GLN C C 13 177.586 0.000 . 1 . . . . . 44 GLN CO . 51685 1 189 . 1 . 1 44 44 GLN CA C 13 56.103 0.013 . 1 . . . . . 44 GLN CA . 51685 1 190 . 1 . 1 44 44 GLN CB C 13 30.779 0.000 . 1 . . . . . 44 GLN CB . 51685 1 191 . 1 . 1 44 44 GLN N N 15 118.540 0.007 . 1 . . . . . 44 GLN N . 51685 1 192 . 1 . 1 45 45 LYS H H 1 8.765 0.007 . 1 . . . . . 45 LYS HN . 51685 1 193 . 1 . 1 45 45 LYS C C 13 173.875 0.712 . 1 . . . . . 45 LYS CO . 51685 1 194 . 1 . 1 45 45 LYS CA C 13 55.853 0.090 . 1 . . . . . 45 LYS CA . 51685 1 195 . 1 . 1 45 45 LYS CB C 13 33.889 0.011 . 1 . . . . . 45 LYS CB . 51685 1 196 . 1 . 1 45 45 LYS N N 15 124.308 0.003 . 1 . . . . . 45 LYS N . 51685 1 197 . 1 . 1 46 46 VAL H H 1 9.070 0.006 . 1 . . . . . 46 VAL HN . 51685 1 198 . 1 . 1 46 46 VAL C C 13 174.176 0.215 . 1 . . . . . 46 VAL CO . 51685 1 199 . 1 . 1 46 46 VAL CA C 13 61.518 0.114 . 1 . . . . . 46 VAL CA . 51685 1 200 . 1 . 1 46 46 VAL CB C 13 32.270 0.000 . 1 . . . . . 46 VAL CB . 51685 1 201 . 1 . 1 46 46 VAL N N 15 127.067 0.016 . 1 . . . . . 46 VAL N . 51685 1 202 . 1 . 1 47 47 MET H H 1 9.320 0.003 . 1 . . . . . 47 MET HN . 51685 1 203 . 1 . 1 47 47 MET C C 13 175.735 0.002 . 1 . . . . . 47 MET CO . 51685 1 204 . 1 . 1 47 47 MET CA C 13 54.613 0.031 . 1 . . . . . 47 MET CA . 51685 1 205 . 1 . 1 47 47 MET CB C 13 34.667 0.134 . 1 . . . . . 47 MET CB . 51685 1 206 . 1 . 1 47 47 MET N N 15 125.902 0.020 . 1 . . . . . 47 MET N . 51685 1 207 . 1 . 1 48 48 VAL H H 1 8.561 0.002 . 1 . . . . . 48 VAL HN . 51685 1 208 . 1 . 1 48 48 VAL C C 13 175.431 0.006 . 1 . . . . . 48 VAL CO . 51685 1 209 . 1 . 1 48 48 VAL CA C 13 60.013 0.198 . 1 . . . . . 48 VAL CA . 51685 1 210 . 1 . 1 48 48 VAL CB C 13 34.415 0.000 . 1 . . . . . 48 VAL CB . 51685 1 211 . 1 . 1 48 48 VAL N N 15 119.660 0.018 . 1 . . . . . 48 VAL N . 51685 1 212 . 1 . 1 49 49 LYS H H 1 9.080 0.002 . 1 . . . . . 49 LYS HN . 51685 1 213 . 1 . 1 49 49 LYS C C 13 176.890 0.000 . 1 . . . . . 49 LYS CO . 51685 1 214 . 1 . 1 49 49 LYS CA C 13 57.932 0.029 . 1 . . . . . 49 LYS CA . 51685 1 215 . 1 . 1 49 49 LYS CB C 13 30.956 0.000 . 1 . . . . . 49 LYS CB . 51685 1 216 . 1 . 1 49 49 LYS N N 15 126.421 0.036 . 1 . . . . . 49 LYS N . 51685 1 217 . 1 . 1 50 50 GLY H H 1 8.723 0.003 . 1 . . . . . 50 GLY HN . 51685 1 218 . 1 . 1 50 50 GLY C C 13 174.264 0.000 . 1 . . . . . 50 GLY CO . 51685 1 219 . 1 . 1 50 50 GLY CA C 13 45.617 0.038 . 1 . . . . . 50 GLY CA . 51685 1 220 . 1 . 1 50 50 GLY N N 15 109.409 0.017 . 1 . . . . . 50 GLY N . 51685 1 221 . 1 . 1 51 51 GLY H H 1 8.064 0.001 . 1 . . . . . 51 GLY HN . 51685 1 222 . 1 . 1 51 51 GLY C C 13 172.120 0.016 . 1 . . . . . 51 GLY CO . 51685 1 223 . 1 . 1 51 51 GLY CA C 13 44.906 0.021 . 1 . . . . . 51 GLY CA . 51685 1 224 . 1 . 1 51 51 GLY N N 15 109.253 0.010 . 1 . . . . . 51 GLY N . 51685 1 225 . 1 . 1 52 52 THR H H 1 8.237 0.001 . 1 . . . . . 52 THR HN . 51685 1 226 . 1 . 1 52 52 THR C C 13 174.819 0.000 . 1 . . . . . 52 THR CO . 51685 1 227 . 1 . 1 52 52 THR CA C 13 61.225 0.022 . 1 . . . . . 52 THR CA . 51685 1 228 . 1 . 1 52 52 THR CB C 13 70.438 0.007 . 1 . . . . . 52 THR CB . 51685 1 229 . 1 . 1 52 52 THR N N 15 115.666 0.011 . 1 . . . . . 52 THR N . 51685 1 230 . 1 . 1 53 53 LEU H H 1 8.687 0.002 . 1 . . . . . 53 LEU HN . 51685 1 231 . 1 . 1 53 53 LEU C C 13 177.428 0.007 . 1 . . . . . 53 LEU CO . 51685 1 232 . 1 . 1 53 53 LEU CA C 13 55.405 0.071 . 1 . . . . . 53 LEU CA . 51685 1 233 . 1 . 1 53 53 LEU CB C 13 43.675 0.000 . 1 . . . . . 53 LEU CB . 51685 1 234 . 1 . 1 53 53 LEU N N 15 126.086 0.027 . 1 . . . . . 53 LEU N . 51685 1 235 . 1 . 1 54 54 LYS H H 1 9.061 0.004 . 1 . . . . . 54 LYS HN . 51685 1 236 . 1 . 1 54 54 LYS C C 13 174.680 0.000 . 1 . . . . . 54 LYS CO . 51685 1 237 . 1 . 1 54 54 LYS CA C 13 55.596 0.070 . 1 . . . . . 54 LYS CA . 51685 1 238 . 1 . 1 54 54 LYS CB C 13 32.516 0.000 . 1 . . . . . 54 LYS CB . 51685 1 239 . 1 . 1 54 54 LYS N N 15 130.321 0.018 . 1 . . . . . 54 LYS N . 51685 1 240 . 1 . 1 55 55 ASP H H 1 8.072 0.001 . 1 . . . . . 55 ASP HN . 51685 1 241 . 1 . 1 55 55 ASP C C 13 177.770 0.002 . 1 . . . . . 55 ASP CO . 51685 1 242 . 1 . 1 55 55 ASP CA C 13 56.975 0.001 . 1 . . . . . 55 ASP CA . 51685 1 243 . 1 . 1 55 55 ASP CB C 13 42.037 0.000 . 1 . . . . . 55 ASP CB . 51685 1 244 . 1 . 1 55 55 ASP N N 15 114.856 0.037 . 1 . . . . . 55 ASP N . 51685 1 245 . 1 . 1 56 56 ASP H H 1 8.354 0.001 . 1 . . . . . 56 ASP HN . 51685 1 246 . 1 . 1 56 56 ASP C C 13 175.609 0.000 . 1 . . . . . 56 ASP CO . 51685 1 247 . 1 . 1 56 56 ASP CA C 13 54.489 0.423 . 1 . . . . . 56 ASP CA . 51685 1 248 . 1 . 1 56 56 ASP CB C 13 41.512 0.007 . 1 . . . . . 56 ASP CB . 51685 1 249 . 1 . 1 56 56 ASP N N 15 114.452 0.014 . 1 . . . . . 56 ASP N . 51685 1 250 . 1 . 1 57 57 ASP H H 1 6.827 0.001 . 1 . . . . . 57 ASP HN . 51685 1 251 . 1 . 1 57 57 ASP C C 13 174.736 0.018 . 1 . . . . . 57 ASP CO . 51685 1 252 . 1 . 1 57 57 ASP CA C 13 53.500 0.055 . 1 . . . . . 57 ASP CA . 51685 1 253 . 1 . 1 57 57 ASP CB C 13 44.467 0.027 . 1 . . . . . 57 ASP CB . 51685 1 254 . 1 . 1 57 57 ASP N N 15 117.643 0.022 . 1 . . . . . 57 ASP N . 51685 1 255 . 1 . 1 58 58 TRP H H 1 8.902 0.004 . 1 . . . . . 58 TRP HN . 51685 1 256 . 1 . 1 58 58 TRP C C 13 176.889 0.000 . 1 . . . . . 58 TRP CO . 51685 1 257 . 1 . 1 58 58 TRP CA C 13 59.495 0.073 . 1 . . . . . 58 TRP CA . 51685 1 258 . 1 . 1 58 58 TRP CB C 13 29.442 0.047 . 1 . . . . . 58 TRP CB . 51685 1 259 . 1 . 1 58 58 TRP N N 15 125.433 0.032 . 1 . . . . . 58 TRP N . 51685 1 260 . 1 . 1 59 59 GLY H H 1 8.787 0.003 . 1 . . . . . 59 GLY HN . 51685 1 261 . 1 . 1 59 59 GLY C C 13 174.958 0.000 . 1 . . . . . 59 GLY CO . 51685 1 262 . 1 . 1 59 59 GLY CA C 13 46.876 0.000 . 1 . . . . . 59 GLY CA . 51685 1 263 . 1 . 1 59 59 GLY N N 15 107.659 0.030 . 1 . . . . . 59 GLY N . 51685 1 264 . 1 . 1 60 60 ASN C C 13 175.229 0.000 . 1 . . . . . 60 ASN CO . 51685 1 265 . 1 . 1 60 60 ASN CA C 13 52.787 0.017 . 1 . . . . . 60 ASN CA . 51685 1 266 . 1 . 1 60 60 ASN CB C 13 38.220 0.003 . 1 . . . . . 60 ASN CB . 51685 1 267 . 1 . 1 61 61 ILE H H 1 7.696 0.002 . 1 . . . . . 61 ILE HN . 51685 1 268 . 1 . 1 61 61 ILE C C 13 174.923 0.016 . 1 . . . . . 61 ILE CO . 51685 1 269 . 1 . 1 61 61 ILE CA C 13 61.789 0.066 . 1 . . . . . 61 ILE CA . 51685 1 270 . 1 . 1 61 61 ILE CB C 13 38.587 0.176 . 1 . . . . . 61 ILE CB . 51685 1 271 . 1 . 1 61 61 ILE N N 15 120.062 0.018 . 1 . . . . . 61 ILE N . 51685 1 272 . 1 . 1 62 62 LYS H H 1 8.167 0.002 . 1 . . . . . 62 LYS HN . 51685 1 273 . 1 . 1 62 62 LYS C C 13 174.927 0.004 . 1 . . . . . 62 LYS CO . 51685 1 274 . 1 . 1 62 62 LYS CA C 13 54.459 0.032 . 1 . . . . . 62 LYS CA . 51685 1 275 . 1 . 1 62 62 LYS CB C 13 32.324 0.037 . 1 . . . . . 62 LYS CB . 51685 1 276 . 1 . 1 62 62 LYS N N 15 127.310 0.016 . 1 . . . . . 62 LYS N . 51685 1 277 . 1 . 1 63 63 ILE H H 1 7.966 0.002 . 1 . . . . . 63 ILE HN . 51685 1 278 . 1 . 1 63 63 ILE C C 13 174.204 0.051 . 1 . . . . . 63 ILE CO . 51685 1 279 . 1 . 1 63 63 ILE CA C 13 58.219 0.055 . 1 . . . . . 63 ILE CA . 51685 1 280 . 1 . 1 63 63 ILE CB C 13 37.011 0.000 . 1 . . . . . 63 ILE CB . 51685 1 281 . 1 . 1 63 63 ILE N N 15 125.733 0.042 . 1 . . . . . 63 ILE N . 51685 1 282 . 1 . 1 64 64 LYS H H 1 7.157 0.002 . 1 . . . . . 64 LYS HN . 51685 1 283 . 1 . 1 64 64 LYS C C 13 175.250 0.017 . 1 . . . . . 64 LYS CO . 51685 1 284 . 1 . 1 64 64 LYS CA C 13 54.018 0.060 . 1 . . . . . 64 LYS CA . 51685 1 285 . 1 . 1 64 64 LYS CB C 13 36.089 0.050 . 1 . . . . . 64 LYS CB . 51685 1 286 . 1 . 1 64 64 LYS N N 15 123.602 0.025 . 1 . . . . . 64 LYS N . 51685 1 287 . 1 . 1 65 65 ASN H H 1 8.886 0.001 . 1 . . . . . 65 ASN HN . 51685 1 288 . 1 . 1 65 65 ASN C C 13 177.882 0.012 . 1 . . . . . 65 ASN CO . 51685 1 289 . 1 . 1 65 65 ASN CA C 13 54.896 0.051 . 1 . . . . . 65 ASN CA . 51685 1 290 . 1 . 1 65 65 ASN CB C 13 38.457 0.016 . 1 . . . . . 65 ASN CB . 51685 1 291 . 1 . 1 65 65 ASN N N 15 120.728 0.015 . 1 . . . . . 65 ASN N . 51685 1 292 . 1 . 1 66 66 GLY H H 1 9.483 0.004 . 1 . . . . . 66 GLY HN . 51685 1 293 . 1 . 1 66 66 GLY C C 13 174.503 0.000 . 1 . . . . . 66 GLY CO . 51685 1 294 . 1 . 1 66 66 GLY CA C 13 45.430 0.016 . 1 . . . . . 66 GLY CA . 51685 1 295 . 1 . 1 66 66 GLY N N 15 111.186 0.024 . 1 . . . . . 66 GLY N . 51685 1 296 . 1 . 1 67 67 MET H H 1 7.602 0.001 . 1 . . . . . 67 MET HN . 51685 1 297 . 1 . 1 67 67 MET C C 13 172.973 0.019 . 1 . . . . . 67 MET CO . 51685 1 298 . 1 . 1 67 67 MET CA C 13 56.301 0.008 . 1 . . . . . 67 MET CA . 51685 1 299 . 1 . 1 67 67 MET CB C 13 34.001 0.075 . 1 . . . . . 67 MET CB . 51685 1 300 . 1 . 1 67 67 MET N N 15 119.425 0.023 . 1 . . . . . 67 MET N . 51685 1 301 . 1 . 1 68 68 THR H H 1 8.391 0.003 . 1 . . . . . 68 THR HN . 51685 1 302 . 1 . 1 68 68 THR C C 13 174.279 0.007 . 1 . . . . . 68 THR CO . 51685 1 303 . 1 . 1 68 68 THR CA C 13 62.159 0.032 . 1 . . . . . 68 THR CA . 51685 1 304 . 1 . 1 68 68 THR CB C 13 68.024 3.259 . 1 . . . . . 68 THR CB . 51685 1 305 . 1 . 1 68 68 THR N N 15 116.902 0.012 . 1 . . . . . 68 THR N . 51685 1 306 . 1 . 1 69 69 LEU H H 1 9.416 0.004 . 1 . . . . . 69 LEU HN . 51685 1 307 . 1 . 1 69 69 LEU CA C 13 54.770 0.016 . 1 . . . . . 69 LEU CA . 51685 1 308 . 1 . 1 69 69 LEU CB C 13 44.278 0.000 . 1 . . . . . 69 LEU CB . 51685 1 309 . 1 . 1 69 69 LEU N N 15 128.731 0.025 . 1 . . . . . 69 LEU N . 51685 1 310 . 1 . 1 70 70 LEU H H 1 8.428 0.001 . 1 . . . . . 70 LEU HN . 51685 1 311 . 1 . 1 70 70 LEU C C 13 175.077 0.000 . 1 . . . . . 70 LEU CO . 51685 1 312 . 1 . 1 70 70 LEU CA C 13 53.834 0.059 . 1 . . . . . 70 LEU CA . 51685 1 313 . 1 . 1 70 70 LEU CB C 13 44.853 0.046 . 1 . . . . . 70 LEU CB . 51685 1 314 . 1 . 1 70 70 LEU N N 15 122.939 0.002 . 1 . . . . . 70 LEU N . 51685 1 315 . 1 . 1 71 71 MET H H 1 9.208 0.003 . 1 . . . . . 71 MET HN . 51685 1 316 . 1 . 1 71 71 MET C C 13 174.826 0.000 . 1 . . . . . 71 MET CO . 51685 1 317 . 1 . 1 71 71 MET CA C 13 54.649 0.078 . 1 . . . . . 71 MET CA . 51685 1 318 . 1 . 1 71 71 MET CB C 13 35.773 0.006 . 1 . . . . . 71 MET CB . 51685 1 319 . 1 . 1 71 71 MET N N 15 124.231 0.041 . 1 . . . . . 71 MET N . 51685 1 320 . 1 . 1 72 72 MET H H 1 9.197 0.004 . 1 . . . . . 72 MET HN . 51685 1 321 . 1 . 1 72 72 MET C C 13 175.257 0.023 . 1 . . . . . 72 MET CO . 51685 1 322 . 1 . 1 72 72 MET CA C 13 54.486 0.065 . 1 . . . . . 72 MET CA . 51685 1 323 . 1 . 1 72 72 MET CB C 13 35.702 0.046 . 1 . . . . . 72 MET CB . 51685 1 324 . 1 . 1 72 72 MET N N 15 125.137 0.011 . 1 . . . . . 72 MET N . 51685 1 325 . 1 . 1 73 73 GLY H H 1 8.757 0.004 . 1 . . . . . 73 GLY HN . 51685 1 326 . 1 . 1 73 73 GLY C C 13 172.891 0.000 . 1 . . . . . 73 GLY CO . 51685 1 327 . 1 . 1 73 73 GLY CA C 13 45.336 0.051 . 1 . . . . . 73 GLY CA . 51685 1 328 . 1 . 1 73 73 GLY N N 15 110.016 0.022 . 1 . . . . . 73 GLY N . 51685 1 329 . 1 . 1 74 74 SER H H 1 8.405 0.002 . 1 . . . . . 74 SER HN . 51685 1 330 . 1 . 1 74 74 SER C C 13 173.842 0.000 . 1 . . . . . 74 SER CO . 51685 1 331 . 1 . 1 74 74 SER CA C 13 57.334 0.053 . 1 . . . . . 74 SER CA . 51685 1 332 . 1 . 1 74 74 SER CB C 13 65.345 0.005 . 1 . . . . . 74 SER CB . 51685 1 333 . 1 . 1 74 74 SER N N 15 115.078 0.022 . 1 . . . . . 74 SER N . 51685 1 334 . 1 . 1 75 75 ALA H H 1 9.061 0.004 . 1 . . . . . 75 ALA HN . 51685 1 335 . 1 . 1 75 75 ALA C C 13 177.512 0.005 . 1 . . . . . 75 ALA CO . 51685 1 336 . 1 . 1 75 75 ALA CA C 13 52.574 0.046 . 1 . . . . . 75 ALA CA . 51685 1 337 . 1 . 1 75 75 ALA CB C 13 19.424 0.056 . 1 . . . . . 75 ALA CB . 51685 1 338 . 1 . 1 75 75 ALA N N 15 126.537 0.025 . 1 . . . . . 75 ALA N . 51685 1 339 . 1 . 1 76 76 ASP H H 1 8.247 0.003 . 1 . . . . . 76 ASP HN . 51685 1 340 . 1 . 1 76 76 ASP C C 13 175.729 0.008 . 1 . . . . . 76 ASP CO . 51685 1 341 . 1 . 1 76 76 ASP CA C 13 54.412 0.022 . 1 . . . . . 76 ASP CA . 51685 1 342 . 1 . 1 76 76 ASP CB C 13 41.528 0.022 . 1 . . . . . 76 ASP CB . 51685 1 343 . 1 . 1 76 76 ASP N N 15 119.388 0.016 . 1 . . . . . 76 ASP N . 51685 1 344 . 1 . 1 77 77 ALA H H 1 8.161 0.001 . 1 . . . . . 77 ALA HN . 51685 1 345 . 1 . 1 77 77 ALA C C 13 177.207 0.006 . 1 . . . . . 77 ALA CO . 51685 1 346 . 1 . 1 77 77 ALA CA C 13 52.232 0.021 . 1 . . . . . 77 ALA CA . 51685 1 347 . 1 . 1 77 77 ALA CB C 13 19.586 0.020 . 1 . . . . . 77 ALA CB . 51685 1 348 . 1 . 1 77 77 ALA N N 15 124.020 0.015 . 1 . . . . . 77 ALA N . 51685 1 349 . 1 . 1 78 78 LEU H H 1 8.255 0.001 . 1 . . . . . 78 LEU HN . 51685 1 350 . 1 . 1 78 78 LEU C C 13 175.396 0.000 . 1 . . . . . 78 LEU CO . 51685 1 351 . 1 . 1 78 78 LEU CA C 13 53.001 0.071 . 1 . . . . . 78 LEU CA . 51685 1 352 . 1 . 1 78 78 LEU CB C 13 41.668 0.000 . 1 . . . . . 78 LEU CB . 51685 1 353 . 1 . 1 78 78 LEU N N 15 123.198 0.011 . 1 . . . . . 78 LEU N . 51685 1 354 . 1 . 1 79 79 PRO C C 13 176.732 0.003 . 1 . . . . . 79 PRO CO . 51685 1 355 . 1 . 1 79 79 PRO CA C 13 63.144 0.009 . 1 . . . . . 79 PRO CA . 51685 1 356 . 1 . 1 79 79 PRO CB C 13 32.019 0.019 . 1 . . . . . 79 PRO CB . 51685 1 357 . 1 . 1 80 80 GLU H H 1 8.367 0.001 . 1 . . . . . 80 GLU HN . 51685 1 358 . 1 . 1 80 80 GLU C C 13 176.225 0.009 . 1 . . . . . 80 GLU CO . 51685 1 359 . 1 . 1 80 80 GLU CA C 13 56.297 0.018 . 1 . . . . . 80 GLU CA . 51685 1 360 . 1 . 1 80 80 GLU CB C 13 30.562 0.040 . 1 . . . . . 80 GLU CB . 51685 1 361 . 1 . 1 80 80 GLU N N 15 120.802 0.018 . 1 . . . . . 80 GLU N . 51685 1 362 . 1 . 1 81 81 GLU H H 1 8.359 0.001 . 1 . . . . . 81 GLU HN . 51685 1 363 . 1 . 1 81 81 GLU C C 13 174.759 0.000 . 1 . . . . . 81 GLU CO . 51685 1 364 . 1 . 1 81 81 GLU CA C 13 54.310 0.002 . 1 . . . . . 81 GLU CA . 51685 1 365 . 1 . 1 81 81 GLU CB C 13 30.087 0.000 . 1 . . . . . 81 GLU CB . 51685 1 366 . 1 . 1 81 81 GLU N N 15 123.761 0.007 . 1 . . . . . 81 GLU N . 51685 1 367 . 1 . 1 82 82 PRO C C 13 177.142 0.001 . 1 . . . . . 82 PRO CO . 51685 1 368 . 1 . 1 82 82 PRO CA C 13 63.532 0.014 . 1 . . . . . 82 PRO CA . 51685 1 369 . 1 . 1 82 82 PRO CB C 13 32.066 0.016 . 1 . . . . . 82 PRO CB . 51685 1 370 . 1 . 1 83 83 SER H H 1 8.333 0.003 . 1 . . . . . 83 SER HN . 51685 1 371 . 1 . 1 83 83 SER C C 13 174.497 0.009 . 1 . . . . . 83 SER CO . 51685 1 372 . 1 . 1 83 83 SER CA C 13 58.539 0.051 . 1 . . . . . 83 SER CA . 51685 1 373 . 1 . 1 83 83 SER CB C 13 63.831 0.078 . 1 . . . . . 83 SER CB . 51685 1 374 . 1 . 1 83 83 SER N N 15 115.626 0.013 . 1 . . . . . 83 SER N . 51685 1 375 . 1 . 1 84 84 ALA H H 1 8.229 0.006 . 1 . . . . . 84 ALA HN . 51685 1 376 . 1 . 1 84 84 ALA C C 13 177.585 0.007 . 1 . . . . . 84 ALA CO . 51685 1 377 . 1 . 1 84 84 ALA CA C 13 52.619 0.029 . 1 . . . . . 84 ALA CA . 51685 1 378 . 1 . 1 84 84 ALA CB C 13 19.308 0.056 . 1 . . . . . 84 ALA CB . 51685 1 379 . 1 . 1 84 84 ALA N N 15 125.879 0.030 . 1 . . . . . 84 ALA N . 51685 1 380 . 1 . 1 85 85 LYS H H 1 8.160 0.002 . 1 . . . . . 85 LYS HN . 51685 1 381 . 1 . 1 85 85 LYS C C 13 176.621 0.009 . 1 . . . . . 85 LYS CO . 51685 1 382 . 1 . 1 85 85 LYS CA C 13 56.295 0.018 . 1 . . . . . 85 LYS CA . 51685 1 383 . 1 . 1 85 85 LYS CB C 13 33.099 0.008 . 1 . . . . . 85 LYS CB . 51685 1 384 . 1 . 1 85 85 LYS N N 15 120.264 0.021 . 1 . . . . . 85 LYS N . 51685 1 385 . 1 . 1 86 86 THR H H 1 8.089 0.002 . 1 . . . . . 86 THR HN . 51685 1 386 . 1 . 1 86 86 THR C C 13 174.039 0.005 . 1 . . . . . 86 THR CO . 51685 1 387 . 1 . 1 86 86 THR CA C 13 62.031 0.023 . 1 . . . . . 86 THR CA . 51685 1 388 . 1 . 1 86 86 THR CB C 13 69.785 0.041 . 1 . . . . . 86 THR CB . 51685 1 389 . 1 . 1 86 86 THR N N 15 116.178 0.015 . 1 . . . . . 86 THR N . 51685 1 390 . 1 . 1 87 87 VAL H H 1 7.991 0.001 . 1 . . . . . 87 VAL HN . 51685 1 391 . 1 . 1 87 87 VAL C C 13 175.288 0.010 . 1 . . . . . 87 VAL CO . 51685 1 392 . 1 . 1 87 87 VAL CA C 13 62.022 0.015 . 1 . . . . . 87 VAL CA . 51685 1 393 . 1 . 1 87 87 VAL CB C 13 33.042 0.022 . 1 . . . . . 87 VAL CB . 51685 1 394 . 1 . 1 87 87 VAL N N 15 122.762 0.016 . 1 . . . . . 87 VAL N . 51685 1 395 . 1 . 1 88 88 PHE H H 1 8.349 0.001 . 1 . . . . . 88 PHE HN . 51685 1 396 . 1 . 1 88 88 PHE C C 13 175.362 0.015 . 1 . . . . . 88 PHE CO . 51685 1 397 . 1 . 1 88 88 PHE CA C 13 57.583 0.027 . 1 . . . . . 88 PHE CA . 51685 1 398 . 1 . 1 88 88 PHE CB C 13 39.714 0.011 . 1 . . . . . 88 PHE CB . 51685 1 399 . 1 . 1 88 88 PHE N N 15 125.007 0.015 . 1 . . . . . 88 PHE N . 51685 1 400 . 1 . 1 89 89 VAL H H 1 8.011 0.001 . 1 . . . . . 89 VAL HN . 51685 1 401 . 1 . 1 89 89 VAL C C 13 175.592 0.011 . 1 . . . . . 89 VAL CO . 51685 1 402 . 1 . 1 89 89 VAL CA C 13 62.148 0.015 . 1 . . . . . 89 VAL CA . 51685 1 403 . 1 . 1 89 89 VAL CB C 13 33.070 0.013 . 1 . . . . . 89 VAL CB . 51685 1 404 . 1 . 1 89 89 VAL N N 15 123.072 0.014 . 1 . . . . . 89 VAL N . 51685 1 405 . 1 . 1 90 90 GLU H H 1 8.413 0.001 . 1 . . . . . 90 GLU HN . 51685 1 406 . 1 . 1 90 90 GLU C C 13 175.958 0.012 . 1 . . . . . 90 GLU CO . 51685 1 407 . 1 . 1 90 90 GLU CA C 13 56.805 0.014 . 1 . . . . . 90 GLU CA . 51685 1 408 . 1 . 1 90 90 GLU CB C 13 30.383 0.020 . 1 . . . . . 90 GLU CB . 51685 1 409 . 1 . 1 90 90 GLU N N 15 124.372 0.024 . 1 . . . . . 90 GLU N . 51685 1 410 . 1 . 1 91 91 ASP H H 1 8.289 0.001 . 1 . . . . . 91 ASP HN . 51685 1 411 . 1 . 1 91 91 ASP C C 13 176.128 0.022 . 1 . . . . . 91 ASP CO . 51685 1 412 . 1 . 1 91 91 ASP CA C 13 54.418 0.021 . 1 . . . . . 91 ASP CA . 51685 1 413 . 1 . 1 91 91 ASP CB C 13 41.262 0.004 . 1 . . . . . 91 ASP CB . 51685 1 414 . 1 . 1 91 91 ASP N N 15 121.302 0.014 . 1 . . . . . 91 ASP N . 51685 1 415 . 1 . 1 92 92 MET H H 1 8.250 0.001 . 1 . . . . . 92 MET HN . 51685 1 416 . 1 . 1 92 92 MET C C 13 176.497 0.009 . 1 . . . . . 92 MET CO . 51685 1 417 . 1 . 1 92 92 MET CA C 13 55.655 0.025 . 1 . . . . . 92 MET CA . 51685 1 418 . 1 . 1 92 92 MET CB C 13 33.378 0.091 . 1 . . . . . 92 MET CB . 51685 1 419 . 1 . 1 92 92 MET N N 15 121.208 0.010 . 1 . . . . . 92 MET N . 51685 1 420 . 1 . 1 93 93 THR H H 1 8.269 0.002 . 1 . . . . . 93 THR HN . 51685 1 421 . 1 . 1 93 93 THR C C 13 174.980 0.007 . 1 . . . . . 93 THR CO . 51685 1 422 . 1 . 1 93 93 THR CA C 13 62.024 0.025 . 1 . . . . . 93 THR CA . 51685 1 423 . 1 . 1 93 93 THR CB C 13 70.233 0.014 . 1 . . . . . 93 THR CB . 51685 1 424 . 1 . 1 93 93 THR N N 15 114.944 0.023 . 1 . . . . . 93 THR N . 51685 1 425 . 1 . 1 94 94 GLU H H 1 8.585 0.002 . 1 . . . . . 94 GLU HN . 51685 1 426 . 1 . 1 94 94 GLU C C 13 177.517 0.015 . 1 . . . . . 94 GLU CO . 51685 1 427 . 1 . 1 94 94 GLU CA C 13 57.966 0.037 . 1 . . . . . 94 GLU CA . 51685 1 428 . 1 . 1 94 94 GLU CB C 13 30.046 0.017 . 1 . . . . . 94 GLU CB . 51685 1 429 . 1 . 1 94 94 GLU N N 15 122.393 0.011 . 1 . . . . . 94 GLU N . 51685 1 430 . 1 . 1 95 95 GLU H H 1 8.476 0.001 . 1 . . . . . 95 GLU HN . 51685 1 431 . 1 . 1 95 95 GLU C C 13 177.488 0.012 . 1 . . . . . 95 GLU CO . 51685 1 432 . 1 . 1 95 95 GLU CA C 13 57.915 0.019 . 1 . . . . . 95 GLU CA . 51685 1 433 . 1 . 1 95 95 GLU CB C 13 30.030 0.010 . 1 . . . . . 95 GLU CB . 51685 1 434 . 1 . 1 95 95 GLU N N 15 121.167 0.009 . 1 . . . . . 95 GLU N . 51685 1 435 . 1 . 1 96 96 GLN H H 1 8.154 0.001 . 1 . . . . . 96 GLN HN . 51685 1 436 . 1 . 1 96 96 GLN C C 13 177.119 0.007 . 1 . . . . . 96 GLN CO . 51685 1 437 . 1 . 1 96 96 GLN CA C 13 56.835 0.019 . 1 . . . . . 96 GLN CA . 51685 1 438 . 1 . 1 96 96 GLN CB C 13 29.243 0.099 . 1 . . . . . 96 GLN CB . 51685 1 439 . 1 . 1 96 96 GLN N N 15 121.043 0.019 . 1 . . . . . 96 GLN N . 51685 1 440 . 1 . 1 97 97 LEU H H 1 8.230 0.002 . 1 . . . . . 97 LEU HN . 51685 1 441 . 1 . 1 97 97 LEU C C 13 177.882 0.017 . 1 . . . . . 97 LEU CO . 51685 1 442 . 1 . 1 97 97 LEU CA C 13 56.063 0.052 . 1 . . . . . 97 LEU CA . 51685 1 443 . 1 . 1 97 97 LEU CB C 13 42.248 0.093 . 1 . . . . . 97 LEU CB . 51685 1 444 . 1 . 1 97 97 LEU N N 15 122.848 0.017 . 1 . . . . . 97 LEU N . 51685 1 445 . 1 . 1 98 98 ALA H H 1 8.140 0.003 . 1 . . . . . 98 ALA HN . 51685 1 446 . 1 . 1 98 98 ALA C C 13 178.662 0.009 . 1 . . . . . 98 ALA CO . 51685 1 447 . 1 . 1 98 98 ALA CA C 13 53.423 0.024 . 1 . . . . . 98 ALA CA . 51685 1 448 . 1 . 1 98 98 ALA CB C 13 18.807 0.033 . 1 . . . . . 98 ALA CB . 51685 1 449 . 1 . 1 98 98 ALA N N 15 123.546 0.037 . 1 . . . . . 98 ALA N . 51685 1 450 . 1 . 1 99 99 SER H H 1 8.027 0.002 . 1 . . . . . 99 SER HN . 51685 1 451 . 1 . 1 99 99 SER C C 13 174.913 0.008 . 1 . . . . . 99 SER CO . 51685 1 452 . 1 . 1 99 99 SER CA C 13 59.040 0.033 . 1 . . . . . 99 SER CA . 51685 1 453 . 1 . 1 99 99 SER CB C 13 63.621 0.021 . 1 . . . . . 99 SER CB . 51685 1 454 . 1 . 1 99 99 SER N N 15 114.064 0.018 . 1 . . . . . 99 SER N . 51685 1 455 . 1 . 1 100 100 ALA H H 1 8.053 0.002 . 1 . . . . . 100 ALA HN . 51685 1 456 . 1 . 1 100 100 ALA C C 13 177.769 0.037 . 1 . . . . . 100 ALA CO . 51685 1 457 . 1 . 1 100 100 ALA CA C 13 52.919 0.022 . 1 . . . . . 100 ALA CA . 51685 1 458 . 1 . 1 100 100 ALA CB C 13 19.120 0.050 . 1 . . . . . 100 ALA CB . 51685 1 459 . 1 . 1 100 100 ALA N N 15 125.241 0.020 . 1 . . . . . 100 ALA N . 51685 1 460 . 1 . 1 101 101 MET H H 1 8.022 0.002 . 1 . . . . . 101 MET HN . 51685 1 461 . 1 . 1 101 101 MET C C 13 175.924 0.000 . 1 . . . . . 101 MET CO . 51685 1 462 . 1 . 1 101 101 MET CA C 13 55.542 0.029 . 1 . . . . . 101 MET CA . 51685 1 463 . 1 . 1 101 101 MET CB C 13 33.104 0.000 . 1 . . . . . 101 MET CB . 51685 1 464 . 1 . 1 101 101 MET N N 15 118.142 0.015 . 1 . . . . . 101 MET N . 51685 1 465 . 1 . 1 221 221 ASP H H 1 8.464 0.001 . 1 . . . . . 221 ASP HN . 51685 1 466 . 1 . 1 221 221 ASP C C 13 176.783 0.022 . 1 . . . . . 221 ASP CO . 51685 1 467 . 1 . 1 221 221 ASP CA C 13 54.841 0.076 . 1 . . . . . 221 ASP CA . 51685 1 468 . 1 . 1 221 221 ASP CB C 13 40.887 0.037 . 1 . . . . . 221 ASP CB . 51685 1 469 . 1 . 1 221 221 ASP N N 15 122.583 0.034 . 1 . . . . . 221 ASP N . 51685 1 470 . 1 . 1 222 222 SER H H 1 8.381 0.002 . 1 . . . . . 222 SER HN . 51685 1 471 . 1 . 1 222 222 SER C C 13 174.906 0.007 . 1 . . . . . 222 SER CO . 51685 1 472 . 1 . 1 222 222 SER CA C 13 59.536 0.019 . 1 . . . . . 222 SER CA . 51685 1 473 . 1 . 1 222 222 SER CB C 13 63.862 0.027 . 1 . . . . . 222 SER CB . 51685 1 474 . 1 . 1 222 222 SER N N 15 116.096 0.025 . 1 . . . . . 222 SER N . 51685 1 475 . 1 . 1 223 223 VAL H H 1 7.869 0.001 . 1 . . . . . 223 VAL HN . 51685 1 476 . 1 . 1 223 223 VAL C C 13 176.120 0.006 . 1 . . . . . 223 VAL CO . 51685 1 477 . 1 . 1 223 223 VAL CA C 13 62.621 0.023 . 1 . . . . . 223 VAL CA . 51685 1 478 . 1 . 1 223 223 VAL CB C 13 32.373 0.012 . 1 . . . . . 223 VAL CB . 51685 1 479 . 1 . 1 223 223 VAL N N 15 121.443 0.019 . 1 . . . . . 223 VAL N . 51685 1 480 . 1 . 1 224 224 LYS H H 1 8.213 0.001 . 1 . . . . . 224 LYS HN . 51685 1 481 . 1 . 1 224 224 LYS C C 13 176.620 0.011 . 1 . . . . . 224 LYS CO . 51685 1 482 . 1 . 1 224 224 LYS CA C 13 56.047 0.010 . 1 . . . . . 224 LYS CA . 51685 1 483 . 1 . 1 224 224 LYS CB C 13 33.291 0.019 . 1 . . . . . 224 LYS CB . 51685 1 484 . 1 . 1 224 224 LYS N N 15 125.070 0.017 . 1 . . . . . 224 LYS N . 51685 1 485 . 1 . 1 225 225 GLU H H 1 8.427 0.001 . 1 . . . . . 225 GLU HN . 51685 1 486 . 1 . 1 225 225 GLU C C 13 176.689 0.018 . 1 . . . . . 225 GLU CO . 51685 1 487 . 1 . 1 225 225 GLU CA C 13 56.743 0.051 . 1 . . . . . 225 GLU CA . 51685 1 488 . 1 . 1 225 225 GLU CB C 13 30.225 0.002 . 1 . . . . . 225 GLU CB . 51685 1 489 . 1 . 1 225 225 GLU N N 15 122.158 0.015 . 1 . . . . . 225 GLU N . 51685 1 490 . 1 . 1 226 226 THR H H 1 8.133 0.001 . 1 . . . . . 226 THR HN . 51685 1 491 . 1 . 1 226 226 THR C C 13 174.339 0.012 . 1 . . . . . 226 THR CO . 51685 1 492 . 1 . 1 226 226 THR CA C 13 61.934 0.031 . 1 . . . . . 226 THR CA . 51685 1 493 . 1 . 1 226 226 THR CB C 13 69.944 0.063 . 1 . . . . . 226 THR CB . 51685 1 494 . 1 . 1 226 226 THR N N 15 114.661 0.017 . 1 . . . . . 226 THR N . 51685 1 495 . 1 . 1 227 227 ASP H H 1 8.353 0.002 . 1 . . . . . 227 ASP HN . 51685 1 496 . 1 . 1 227 227 ASP C C 13 176.516 0.038 . 1 . . . . . 227 ASP CO . 51685 1 497 . 1 . 1 227 227 ASP CA C 13 54.377 0.042 . 1 . . . . . 227 ASP CA . 51685 1 498 . 1 . 1 227 227 ASP CB C 13 41.345 0.074 . 1 . . . . . 227 ASP CB . 51685 1 499 . 1 . 1 227 227 ASP N N 15 122.805 0.025 . 1 . . . . . 227 ASP N . 51685 1 500 . 1 . 1 228 228 SER H H 1 8.348 0.004 . 1 . . . . . 228 SER HN . 51685 1 501 . 1 . 1 228 228 SER C C 13 175.164 0.013 . 1 . . . . . 228 SER CO . 51685 1 502 . 1 . 1 228 228 SER CA C 13 58.889 0.032 . 1 . . . . . 228 SER CA . 51685 1 503 . 1 . 1 228 228 SER CB C 13 63.708 0.072 . 1 . . . . . 228 SER CB . 51685 1 504 . 1 . 1 228 228 SER N N 15 116.922 0.025 . 1 . . . . . 228 SER N . 51685 1 505 . 1 . 1 229 229 SER H H 1 8.421 0.003 . 1 . . . . . 229 SER HN . 51685 1 506 . 1 . 1 229 229 SER C C 13 174.984 0.012 . 1 . . . . . 229 SER CO . 51685 1 507 . 1 . 1 229 229 SER CA C 13 59.134 0.069 . 1 . . . . . 229 SER CA . 51685 1 508 . 1 . 1 229 229 SER CB C 13 63.801 0.014 . 1 . . . . . 229 SER CB . 51685 1 509 . 1 . 1 229 229 SER N N 15 118.080 0.019 . 1 . . . . . 229 SER N . 51685 1 510 . 1 . 1 230 230 SER H H 1 8.170 0.003 . 1 . . . . . 230 SER HN . 51685 1 511 . 1 . 1 230 230 SER C C 13 174.611 0.000 . 1 . . . . . 230 SER CO . 51685 1 512 . 1 . 1 230 230 SER CA C 13 58.526 0.004 . 1 . . . . . 230 SER CA . 51685 1 513 . 1 . 1 230 230 SER CB C 13 63.738 0.015 . 1 . . . . . 230 SER CB . 51685 1 514 . 1 . 1 230 230 SER N N 15 117.497 0.018 . 1 . . . . . 230 SER N . 51685 1 515 . 1 . 1 231 231 ALA H H 1 8.214 0.004 . 1 . . . . . 231 ALA HN . 51685 1 516 . 1 . 1 231 231 ALA C C 13 177.976 0.006 . 1 . . . . . 231 ALA CO . 51685 1 517 . 1 . 1 231 231 ALA CA C 13 53.012 0.032 . 1 . . . . . 231 ALA CA . 51685 1 518 . 1 . 1 231 231 ALA CB C 13 19.098 0.022 . 1 . . . . . 231 ALA CB . 51685 1 519 . 1 . 1 231 231 ALA N N 15 125.871 0.015 . 1 . . . . . 231 ALA N . 51685 1 520 . 1 . 1 232 232 SER H H 1 8.134 0.001 . 1 . . . . . 232 SER HN . 51685 1 521 . 1 . 1 232 232 SER C C 13 174.398 0.038 . 1 . . . . . 232 SER CO . 51685 1 522 . 1 . 1 232 232 SER CA C 13 58.395 0.030 . 1 . . . . . 232 SER CA . 51685 1 523 . 1 . 1 232 232 SER CB C 13 63.856 0.025 . 1 . . . . . 232 SER CB . 51685 1 524 . 1 . 1 232 232 SER N N 15 114.450 0.052 . 1 . . . . . 232 SER N . 51685 1 525 . 1 . 1 233 233 ALA H H 1 8.120 0.003 . 1 . . . . . 233 ALA HN . 51685 1 526 . 1 . 1 233 233 ALA C C 13 177.276 0.011 . 1 . . . . . 233 ALA CO . 51685 1 527 . 1 . 1 233 233 ALA CA C 13 52.572 0.012 . 1 . . . . . 233 ALA CA . 51685 1 528 . 1 . 1 233 233 ALA CB C 13 19.294 0.003 . 1 . . . . . 233 ALA CB . 51685 1 529 . 1 . 1 233 233 ALA N N 15 125.678 0.011 . 1 . . . . . 233 ALA N . 51685 1 530 . 1 . 1 234 234 ALA H H 1 8.118 0.001 . 1 . . . . . 234 ALA HN . 51685 1 531 . 1 . 1 234 234 ALA C C 13 177.594 0.004 . 1 . . . . . 234 ALA CO . 51685 1 532 . 1 . 1 234 234 ALA CA C 13 52.431 0.029 . 1 . . . . . 234 ALA CA . 51685 1 533 . 1 . 1 234 234 ALA CB C 13 19.298 0.011 . 1 . . . . . 234 ALA CB . 51685 1 534 . 1 . 1 234 234 ALA N N 15 122.680 0.018 . 1 . . . . . 234 ALA N . 51685 1 535 . 1 . 1 235 235 THR H H 1 8.026 0.001 . 1 . . . . . 235 THR HN . 51685 1 536 . 1 . 1 235 235 THR C C 13 172.914 0.000 . 1 . . . . . 235 THR CO . 51685 1 537 . 1 . 1 235 235 THR CA C 13 59.763 0.040 . 1 . . . . . 235 THR CA . 51685 1 538 . 1 . 1 235 235 THR CB C 13 69.743 0.000 . 1 . . . . . 235 THR CB . 51685 1 539 . 1 . 1 235 235 THR N N 15 115.784 0.012 . 1 . . . . . 235 THR N . 51685 1 540 . 1 . 1 236 236 PRO C C 13 176.955 0.000 . 1 . . . . . 236 PRO CO . 51685 1 541 . 1 . 1 236 236 PRO CA C 13 63.357 0.021 . 1 . . . . . 236 PRO CA . 51685 1 542 . 1 . 1 236 236 PRO CB C 13 32.220 0.028 . 1 . . . . . 236 PRO CB . 51685 1 543 . 1 . 1 237 237 SER H H 1 8.384 0.002 . 1 . . . . . 237 SER HN . 51685 1 544 . 1 . 1 237 237 SER C C 13 174.459 0.003 . 1 . . . . . 237 SER CO . 51685 1 545 . 1 . 1 237 237 SER CA C 13 58.417 0.035 . 1 . . . . . 237 SER CA . 51685 1 546 . 1 . 1 237 237 SER CB C 13 63.884 0.016 . 1 . . . . . 237 SER CB . 51685 1 547 . 1 . 1 237 237 SER N N 15 116.573 0.051 . 1 . . . . . 237 SER N . 51685 1 548 . 1 . 1 238 238 LYS H H 1 8.227 0.004 . 1 . . . . . 238 LYS HN . 51685 1 549 . 1 . 1 238 238 LYS C C 13 176.414 0.000 . 1 . . . . . 238 LYS CO . 51685 1 550 . 1 . 1 238 238 LYS CA C 13 56.200 0.004 . 1 . . . . . 238 LYS CA . 51685 1 551 . 1 . 1 238 238 LYS CB C 13 33.050 0.000 . 1 . . . . . 238 LYS CB . 51685 1 552 . 1 . 1 238 238 LYS N N 15 123.720 0.026 . 1 . . . . . 238 LYS N . 51685 1 553 . 1 . 1 380 380 LYS H H 1 7.936 0.004 . 1 . . . . . 380 LYS HN . 51685 1 554 . 1 . 1 380 380 LYS C C 13 177.237 0.000 . 1 . . . . . 380 LYS CO . 51685 1 555 . 1 . 1 380 380 LYS CA C 13 57.160 0.042 . 1 . . . . . 380 LYS CA . 51685 1 556 . 1 . 1 380 380 LYS CB C 13 32.992 0.004 . 1 . . . . . 380 LYS CB . 51685 1 557 . 1 . 1 380 380 LYS N N 15 120.432 0.034 . 1 . . . . . 380 LYS N . 51685 1 558 . 1 . 1 381 381 LYS H H 1 8.076 0.003 . 1 . . . . . 381 LYS HN . 51685 1 559 . 1 . 1 381 381 LYS C C 13 177.300 0.005 . 1 . . . . . 381 LYS CO . 51685 1 560 . 1 . 1 381 381 LYS CA C 13 57.104 0.039 . 1 . . . . . 381 LYS CA . 51685 1 561 . 1 . 1 381 381 LYS CB C 13 32.642 0.073 . 1 . . . . . 381 LYS CB . 51685 1 562 . 1 . 1 381 381 LYS N N 15 120.845 0.042 . 1 . . . . . 381 LYS N . 51685 1 563 . 1 . 1 382 382 VAL H H 1 7.909 0.003 . 1 . . . . . 382 VAL HN . 51685 1 564 . 1 . 1 382 382 VAL C C 13 176.193 0.007 . 1 . . . . . 382 VAL CO . 51685 1 565 . 1 . 1 382 382 VAL CA C 13 63.042 0.033 . 1 . . . . . 382 VAL CA . 51685 1 566 . 1 . 1 382 382 VAL N N 15 119.339 0.022 . 1 . . . . . 382 VAL N . 51685 1 567 . 1 . 1 383 383 ASN H H 1 8.274 0.003 . 1 . . . . . 383 ASN HN . 51685 1 568 . 1 . 1 383 383 ASN C C 13 175.035 0.053 . 1 . . . . . 383 ASN CO . 51685 1 569 . 1 . 1 383 383 ASN CA C 13 53.432 0.025 . 1 . . . . . 383 ASN CA . 51685 1 570 . 1 . 1 383 383 ASN CB C 13 39.072 0.070 . 1 . . . . . 383 ASN CB . 51685 1 571 . 1 . 1 383 383 ASN N N 15 120.752 0.021 . 1 . . . . . 383 ASN N . 51685 1 572 . 1 . 1 384 384 GLN H H 1 8.119 0.003 . 1 . . . . . 384 GLN HN . 51685 1 573 . 1 . 1 384 384 GLN C C 13 175.667 0.009 . 1 . . . . . 384 GLN CO . 51685 1 574 . 1 . 1 384 384 GLN CA C 13 55.901 0.030 . 1 . . . . . 384 GLN CA . 51685 1 575 . 1 . 1 384 384 GLN CB C 13 29.548 0.063 . 1 . . . . . 384 GLN CB . 51685 1 576 . 1 . 1 384 384 GLN N N 15 120.446 0.048 . 1 . . . . . 384 GLN N . 51685 1 577 . 1 . 1 385 385 GLN H H 1 8.410 0.002 . 1 . . . . . 385 GLN HN . 51685 1 578 . 1 . 1 385 385 GLN C C 13 174.106 0.000 . 1 . . . . . 385 GLN CO . 51685 1 579 . 1 . 1 385 385 GLN CA C 13 53.874 0.017 . 1 . . . . . 385 GLN CA . 51685 1 580 . 1 . 1 385 385 GLN CB C 13 29.007 0.000 . 1 . . . . . 385 GLN CB . 51685 1 581 . 1 . 1 385 385 GLN N N 15 122.765 0.027 . 1 . . . . . 385 GLN N . 51685 1 582 . 1 . 1 386 386 PRO C C 13 176.654 0.011 . 1 . . . . . 386 PRO CO . 51685 1 583 . 1 . 1 386 386 PRO CA C 13 63.375 0.012 . 1 . . . . . 386 PRO CA . 51685 1 584 . 1 . 1 386 386 PRO CB C 13 32.133 0.003 . 1 . . . . . 386 PRO CB . 51685 1 585 . 1 . 1 387 387 ASN H H 1 8.585 0.004 . 1 . . . . . 387 ASN HN . 51685 1 586 . 1 . 1 387 387 ASN C C 13 175.681 0.005 . 1 . . . . . 387 ASN CO . 51685 1 587 . 1 . 1 387 387 ASN CA C 13 53.337 0.019 . 1 . . . . . 387 ASN CA . 51685 1 588 . 1 . 1 387 387 ASN CB C 13 38.816 0.003 . 1 . . . . . 387 ASN CB . 51685 1 589 . 1 . 1 387 387 ASN N N 15 118.932 0.023 . 1 . . . . . 387 ASN N . 51685 1 590 . 1 . 1 388 388 THR H H 1 8.129 0.002 . 1 . . . . . 388 THR HN . 51685 1 591 . 1 . 1 388 388 THR C C 13 174.882 0.003 . 1 . . . . . 388 THR CO . 51685 1 592 . 1 . 1 388 388 THR CA C 13 61.903 0.076 . 1 . . . . . 388 THR CA . 51685 1 593 . 1 . 1 388 388 THR CB C 13 69.705 0.073 . 1 . . . . . 388 THR CB . 51685 1 594 . 1 . 1 388 388 THR N N 15 113.960 0.020 . 1 . . . . . 388 THR N . 51685 1 595 . 1 . 1 389 389 SER H H 1 8.312 0.002 . 1 . . . . . 389 SER HN . 51685 1 596 . 1 . 1 389 389 SER C C 13 174.328 0.005 . 1 . . . . . 389 SER CO . 51685 1 597 . 1 . 1 389 389 SER CA C 13 58.772 0.044 . 1 . . . . . 389 SER CA . 51685 1 598 . 1 . 1 389 389 SER CB C 13 63.865 0.034 . 1 . . . . . 389 SER CB . 51685 1 599 . 1 . 1 389 389 SER N N 15 117.616 0.034 . 1 . . . . . 389 SER N . 51685 1 600 . 1 . 1 390 390 ASP H H 1 8.297 0.003 . 1 . . . . . 390 ASP HN . 51685 1 601 . 1 . 1 390 390 ASP C C 13 176.250 0.008 . 1 . . . . . 390 ASP CO . 51685 1 602 . 1 . 1 390 390 ASP CA C 13 54.441 0.027 . 1 . . . . . 390 ASP CA . 51685 1 603 . 1 . 1 390 390 ASP CB C 13 41.116 0.008 . 1 . . . . . 390 ASP CB . 51685 1 604 . 1 . 1 390 390 ASP N N 15 122.261 0.024 . 1 . . . . . 390 ASP N . 51685 1 605 . 1 . 1 391 391 LYS H H 1 8.147 0.001 . 1 . . . . . 391 LYS HN . 51685 1 606 . 1 . 1 391 391 LYS C C 13 176.707 0.009 . 1 . . . . . 391 LYS CO . 51685 1 607 . 1 . 1 391 391 LYS CA C 13 56.428 0.025 . 1 . . . . . 391 LYS CA . 51685 1 608 . 1 . 1 391 391 LYS CB C 13 32.851 0.071 . 1 . . . . . 391 LYS CB . 51685 1 609 . 1 . 1 391 391 LYS N N 15 121.451 0.014 . 1 . . . . . 391 LYS N . 51685 1 610 . 1 . 1 392 392 LYS H H 1 8.293 0.001 . 1 . . . . . 392 LYS HN . 51685 1 611 . 1 . 1 392 392 LYS C C 13 176.718 0.012 . 1 . . . . . 392 LYS CO . 51685 1 612 . 1 . 1 392 392 LYS CA C 13 56.380 0.037 . 1 . . . . . 392 LYS CA . 51685 1 613 . 1 . 1 392 392 LYS CB C 13 33.010 0.042 . 1 . . . . . 392 LYS CB . 51685 1 614 . 1 . 1 392 392 LYS N N 15 122.096 0.010 . 1 . . . . . 392 LYS N . 51685 1 615 . 1 . 1 393 393 SER H H 1 8.247 0.003 . 1 . . . . . 393 SER HN . 51685 1 616 . 1 . 1 393 393 SER C C 13 174.177 0.003 . 1 . . . . . 393 SER CO . 51685 1 617 . 1 . 1 393 393 SER CA C 13 58.310 0.030 . 1 . . . . . 393 SER CA . 51685 1 618 . 1 . 1 393 393 SER CB C 13 63.896 0.013 . 1 . . . . . 393 SER CB . 51685 1 619 . 1 . 1 393 393 SER N N 15 116.626 0.008 . 1 . . . . . 393 SER N . 51685 1 620 . 1 . 1 394 394 SER H H 1 8.226 0.002 . 1 . . . . . 394 SER HN . 51685 1 621 . 1 . 1 394 394 SER C C 13 172.665 0.000 . 1 . . . . . 394 SER CO . 51685 1 622 . 1 . 1 394 394 SER CA C 13 56.483 0.052 . 1 . . . . . 394 SER CA . 51685 1 623 . 1 . 1 394 394 SER CB C 13 63.541 0.000 . 1 . . . . . 394 SER CB . 51685 1 624 . 1 . 1 394 394 SER N N 15 118.706 0.010 . 1 . . . . . 394 SER N . 51685 1 625 . 1 . 1 395 395 PRO C C 13 176.895 0.004 . 1 . . . . . 395 PRO CO . 51685 1 626 . 1 . 1 395 395 PRO CA C 13 63.440 0.038 . 1 . . . . . 395 PRO CA . 51685 1 627 . 1 . 1 395 395 PRO CB C 13 32.075 0.021 . 1 . . . . . 395 PRO CB . 51685 1 628 . 1 . 1 396 396 GLN H H 1 8.421 0.002 . 1 . . . . . 396 GLN HN . 51685 1 629 . 1 . 1 396 396 GLN C C 13 175.740 0.008 . 1 . . . . . 396 GLN CO . 51685 1 630 . 1 . 1 396 396 GLN CA C 13 55.904 0.010 . 1 . . . . . 396 GLN CA . 51685 1 631 . 1 . 1 396 396 GLN CB C 13 29.417 0.047 . 1 . . . . . 396 GLN CB . 51685 1 632 . 1 . 1 396 396 GLN N N 15 120.504 0.026 . 1 . . . . . 396 GLN N . 51685 1 633 . 1 . 1 397 397 LYS H H 1 8.118 0.001 . 1 . . . . . 397 LYS HN . 51685 1 634 . 1 . 1 397 397 LYS C C 13 175.980 0.000 . 1 . . . . . 397 LYS CO . 51685 1 635 . 1 . 1 397 397 LYS CA C 13 56.111 0.006 . 1 . . . . . 397 LYS CA . 51685 1 636 . 1 . 1 397 397 LYS CB C 13 33.632 0.000 . 1 . . . . . 397 LYS CB . 51685 1 637 . 1 . 1 397 397 LYS N N 15 122.775 0.038 . 1 . . . . . 397 LYS N . 51685 1 638 . 1 . 1 490 490 GLU H H 1 8.515 0.001 . 1 . . . . . 490 GLU HN . 51685 1 639 . 1 . 1 490 490 GLU C C 13 176.434 0.008 . 1 . . . . . 490 GLU CO . 51685 1 640 . 1 . 1 490 490 GLU CA C 13 56.495 0.004 . 1 . . . . . 490 GLU CA . 51685 1 641 . 1 . 1 490 490 GLU CB C 13 30.597 0.006 . 1 . . . . . 490 GLU CB . 51685 1 642 . 1 . 1 490 490 GLU N N 15 122.815 0.012 . 1 . . . . . 490 GLU N . 51685 1 643 . 1 . 1 491 491 GLU H H 1 8.521 0.000 . 1 . . . . . 491 GLU HN . 51685 1 644 . 1 . 1 491 491 GLU C C 13 176.448 0.005 . 1 . . . . . 491 GLU CO . 51685 1 645 . 1 . 1 491 491 GLU CA C 13 56.593 0.025 . 1 . . . . . 491 GLU CA . 51685 1 646 . 1 . 1 491 491 GLU CB C 13 30.481 0.065 . 1 . . . . . 491 GLU CB . 51685 1 647 . 1 . 1 491 491 GLU N N 15 122.818 0.006 . 1 . . . . . 491 GLU N . 51685 1 648 . 1 . 1 492 492 SER H H 1 8.349 0.002 . 1 . . . . . 492 SER HN . 51685 1 649 . 1 . 1 492 492 SER C C 13 174.420 0.005 . 1 . . . . . 492 SER CO . 51685 1 650 . 1 . 1 492 492 SER CA C 13 58.338 0.046 . 1 . . . . . 492 SER CA . 51685 1 651 . 1 . 1 492 492 SER CB C 13 64.051 0.025 . 1 . . . . . 492 SER CB . 51685 1 652 . 1 . 1 492 492 SER N N 15 117.246 0.023 . 1 . . . . . 492 SER N . 51685 1 653 . 1 . 1 493 493 GLU H H 1 8.447 0.001 . 1 . . . . . 493 GLU HN . 51685 1 654 . 1 . 1 493 493 GLU C C 13 175.624 0.010 . 1 . . . . . 493 GLU CO . 51685 1 655 . 1 . 1 493 493 GLU CA C 13 56.734 0.015 . 1 . . . . . 493 GLU CA . 51685 1 656 . 1 . 1 493 493 GLU CB C 13 30.408 0.011 . 1 . . . . . 493 GLU CB . 51685 1 657 . 1 . 1 493 493 GLU N N 15 123.476 0.009 . 1 . . . . . 493 GLU N . 51685 1 658 . 1 . 1 494 494 GLN H H 1 7.957 0.001 . 1 . . . . . 494 GLN HN . 51685 1 659 . 1 . 1 494 494 GLN C C 13 180.553 0.000 . 1 . . . . . 494 GLN CO . 51685 1 660 . 1 . 1 494 494 GLN CA C 13 57.424 0.015 . 1 . . . . . 494 GLN CA . 51685 1 661 . 1 . 1 494 494 GLN CB C 13 30.516 0.000 . 1 . . . . . 494 GLN CB . 51685 1 662 . 1 . 1 494 494 GLN N N 15 126.203 0.008 . 1 . . . . . 494 GLN N . 51685 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 51685 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hetNOE_list _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 'peak integral' _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 8 '1H-15N heteronoe' . . . 51685 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 1 $software_1 . . 51685 1 2 $software_2 . . 51685 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 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 0.44098 0.00564 . . . . . . . . . . 51685 1 2 . 1 1 4 4 TYR N N 15 . 1 1 4 4 TYR H H 1 0.59369 0.01956 . . . . . . . . . . 51685 1 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.59126 0.03165 . . . . . . . . . . 51685 1 4 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.85891 0.00444 . . . . . . . . . . 51685 1 5 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.80524 0.02256 . . . . . . . . . . 51685 1 6 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.69617 0.00897 . . . . . . . . . . 51685 1 7 . 1 1 10 10 TRP N N 15 . 1 1 10 10 TRP H H 1 0.63523 0.00828 . . . . . . . . . . 51685 1 8 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.62873 0.0164 . . . . . . . . . . 51685 1 9 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.76078 0.0293 . . . . . . . . . . 51685 1 10 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.53143 0.01802 . . . . . . . . . . 51685 1 11 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.41653 0.00284 . . . . . . . . . . 51685 1 12 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.63583 0.0151 . . . . . . . . . . 51685 1 13 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 0.66499 0.0126 . . . . . . . . . . 51685 1 14 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.69835 0.03219 . . . . . . . . . . 51685 1 15 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.65497 0.00884 . . . . . . . . . . 51685 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.63649 0.02007 . . . . . . . . . . 51685 1 17 . 1 1 21 21 ASN N N 15 . 1 1 21 21 ASN H H 1 0.71049 0.01639 . . . . . . . . . . 51685 1 18 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.7021 0.00676 . . . . . . . . . . 51685 1 19 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.57472 0.00659 . . . . . . . . . . 51685 1 20 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.65306 0.01777 . . . . . . . . . . 51685 1 21 . 1 1 27 27 MET N N 15 . 1 1 27 27 MET H H 1 0.75405 0.00782 . . . . . . . . . . 51685 1 22 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.61903 0.01297 . . . . . . . . . . 51685 1 23 . 1 1 29 29 PHE N N 15 . 1 1 29 29 PHE H H 1 0.82523 0.01936 . . . . . . . . . . 51685 1 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.71796 0.0273 . . . . . . . . . . 51685 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.70713 0.01097 . . . . . . . . . . 51685 1 26 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.71139 0.0155 . . . . . . . . . . 51685 1 27 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.75204 0.01632 . . . . . . . . . . 51685 1 28 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.70773 0.00768 . . . . . . . . . . 51685 1 29 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.76185 0.00694 . . . . . . . . . . 51685 1 30 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.70659 0.00678 . . . . . . . . . . 51685 1 31 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.73515 0.01783 . . . . . . . . . . 51685 1 32 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.63682 0.01465 . . . . . . . . . . 51685 1 33 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.69191 0.01964 . . . . . . . . . . 51685 1 34 . 1 1 43 43 ARG N N 15 . 1 1 43 43 ARG H H 1 0.73296 0.01931 . . . . . . . . . . 51685 1 35 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 0.72221 0.02605 . . . . . . . . . . 51685 1 36 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.78768 0.0172 . . . . . . . . . . 51685 1 37 . 1 1 46 46 VAL N N 15 . 1 1 46 46 VAL H H 1 0.66694 0.01155 . . . . . . . . . . 51685 1 38 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.62075 0.00243 . . . . . . . . . . 51685 1 39 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.63262 0.00917 . . . . . . . . . . 51685 1 40 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.6445 0.00841 . . . . . . . . . . 51685 1 41 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.52157 0.00433 . . . . . . . . . . 51685 1 42 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.69809 0.00551 . . . . . . . . . . 51685 1 43 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.6856 0.01926 . . . . . . . . . . 51685 1 44 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.65757 0.01125 . . . . . . . . . . 51685 1 45 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.62895 0.03592 . . . . . . . . . . 51685 1 46 . 1 1 57 57 ASP N N 15 . 1 1 57 57 ASP H H 1 0.67176 0.04374 . . . . . . . . . . 51685 1 47 . 1 1 58 58 TRP N N 15 . 1 1 58 58 TRP H H 1 0.73427 0.01736 . . . . . . . . . . 51685 1 48 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.66158 0.00911 . . . . . . . . . . 51685 1 49 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.60134 0.0186 . . . . . . . . . . 51685 1 50 . 1 1 62 62 LYS N N 15 . 1 1 62 62 LYS H H 1 0.50691 0.00439 . . . . . . . . . . 51685 1 51 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.68957 0.01913 . . . . . . . . . . 51685 1 52 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 0.67402 0.01557 . . . . . . . . . . 51685 1 53 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.68126 0.02749 . . . . . . . . . . 51685 1 54 . 1 1 67 67 MET N N 15 . 1 1 67 67 MET H H 1 0.71533 0.01417 . . . . . . . . . . 51685 1 55 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.70749 0.01182 . . . . . . . . . . 51685 1 56 . 1 1 71 71 MET N N 15 . 1 1 71 71 MET H H 1 0.67943 0.01873 . . . . . . . . . . 51685 1 57 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.62461 0.01116 . . . . . . . . . . 51685 1 58 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.66443 0.00997 . . . . . . . . . . 51685 1 59 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.62033 0.01086 . . . . . . . . . . 51685 1 60 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.61606 0.00968 . . . . . . . . . . 51685 1 61 . 1 1 76 76 ASP N N 15 . 1 1 76 76 ASP H H 1 0.3405 0.01505 . . . . . . . . . . 51685 1 62 . 1 1 77 77 ALA N N 15 . 1 1 77 77 ALA H H 1 0.21963 0.00507 . . . . . . . . . . 51685 1 63 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.05767 0.00157 . . . . . . . . . . 51685 1 64 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.06874 0.00688 . . . . . . . . . . 51685 1 65 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 -0.02479 0.00419 . . . . . . . . . . 51685 1 66 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 -0.05746 0.00282 . . . . . . . . . . 51685 1 67 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 -0.12774 0.00294 . . . . . . . . . . 51685 1 68 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 -0.14009 0.01257 . . . . . . . . . . 51685 1 69 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 0.01237 0.00552 . . . . . . . . . . 51685 1 70 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 -0.14151 0.00732 . . . . . . . . . . 51685 1 71 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.17331 0.00303 . . . . . . . . . . 51685 1 72 . 1 1 89 89 VAL N N 15 . 1 1 89 89 VAL H H 1 -0.02342 0.00033 . . . . . . . . . . 51685 1 73 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.03808 0.00224 . . . . . . . . . . 51685 1 74 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.00147 0.00287 . . . . . . . . . . 51685 1 75 . 1 1 92 92 MET N N 15 . 1 1 92 92 MET H H 1 0.00797 0.0011 . . . . . . . . . . 51685 1 76 . 1 1 93 93 THR N N 15 . 1 1 93 93 THR H H 1 0.05416 0.01701 . . . . . . . . . . 51685 1 77 . 1 1 94 94 GLU N N 15 . 1 1 94 94 GLU H H 1 0.12112 0.00045 . . . . . . . . . . 51685 1 78 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.13536 0.00116 . . . . . . . . . . 51685 1 79 . 1 1 96 96 GLN N N 15 . 1 1 96 96 GLN H H 1 -0.00113 0.00485 . . . . . . . . . . 51685 1 80 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.06295 0.0009 . . . . . . . . . . 51685 1 81 . 1 1 98 98 ALA N N 15 . 1 1 98 98 ALA H H 1 0.14711 0.00444 . . . . . . . . . . 51685 1 82 . 1 1 99 99 SER N N 15 . 1 1 99 99 SER H H 1 0.16617 0.01373 . . . . . . . . . . 51685 1 83 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.11235 0.00611 . . . . . . . . . . 51685 1 84 . 1 1 101 101 MET N N 15 . 1 1 101 101 MET H H 1 0.04735 0.01112 . . . . . . . . . . 51685 1 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 51685 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name R1_list _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 Iz _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' . . . 51685 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 1 $software_1 . . 51685 1 2 $software_2 . . 51685 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 3 3 LEU N N 15 1.26194 0.01537 . . . . . 51685 1 2 . 1 1 4 4 TYR N N 15 1.14042 0.03361 . . . . . 51685 1 3 . 1 1 5 5 SER N N 15 1.11983 0.0356 . . . . . 51685 1 4 . 1 1 6 6 VAL N N 15 1.25904 0.03149 . . . . . 51685 1 5 . 1 1 7 7 THR N N 15 1.24466 0.04876 . . . . . 51685 1 6 . 1 1 9 9 LYS N N 15 1.23065 0.03892 . . . . . 51685 1 7 . 1 1 10 10 TRP N N 15 1.25779 0.03077 . . . . . 51685 1 8 . 1 1 11 11 GLY N N 15 1.34971 0.03418 . . . . . 51685 1 9 . 1 1 12 12 LYS N N 15 1.16841 0.05009 . . . . . 51685 1 10 . 1 1 13 13 GLU N N 15 1.22007 0.02145 . . . . . 51685 1 11 . 1 1 14 14 LYS N N 15 1.22529 0.021 . . . . . 51685 1 12 . 1 1 16 16 GLU N N 15 1.08585 0.0199 . . . . . 51685 1 13 . 1 1 17 17 GLY N N 15 1.15041 0.01494 . . . . . 51685 1 14 . 1 1 18 18 VAL N N 15 1.31971 0.02173 . . . . . 51685 1 15 . 1 1 19 19 GLU N N 15 1.12014 0.03179 . . . . . 51685 1 16 . 1 1 20 20 LEU N N 15 1.18969 0.03778 . . . . . 51685 1 17 . 1 1 21 21 ASN N N 15 1.15961 0.03465 . . . . . 51685 1 18 . 1 1 22 22 THR N N 15 1.19171 0.04957 . . . . . 51685 1 19 . 1 1 23 23 ASP N N 15 1.30166 0.02532 . . . . . 51685 1 20 . 1 1 24 24 GLU N N 15 1.22717 0.02221 . . . . . 51685 1 21 . 1 1 27 27 MET N N 15 1.22121 0.0218 . . . . . 51685 1 22 . 1 1 28 28 VAL N N 15 1.28647 0.03246 . . . . . 51685 1 23 . 1 1 29 29 PHE N N 15 1.38118 0.04773 . . . . . 51685 1 24 . 1 1 30 30 LYS N N 15 1.24006 0.05669 . . . . . 51685 1 25 . 1 1 31 31 ALA N N 15 1.24359 0.02337 . . . . . 51685 1 26 . 1 1 32 32 GLN N N 15 1.24574 0.02342 . . . . . 51685 1 27 . 1 1 33 33 LEU N N 15 1.22481 0.04783 . . . . . 51685 1 28 . 1 1 34 34 PHE N N 15 1.27769 0.02282 . . . . . 51685 1 29 . 1 1 35 35 ALA N N 15 1.21742 0.0269 . . . . . 51685 1 30 . 1 1 36 36 LEU N N 15 1.23672 0.02015 . . . . . 51685 1 31 . 1 1 37 37 THR N N 15 1.27528 0.03796 . . . . . 51685 1 32 . 1 1 38 38 GLY N N 15 1.17806 0.04123 . . . . . 51685 1 33 . 1 1 39 39 VAL N N 15 1.31059 0.03785 . . . . . 51685 1 34 . 1 1 40 40 GLN N N 15 1.17624 0.02772 . . . . . 51685 1 35 . 1 1 42 42 ALA N N 15 1.30511 0.01197 . . . . . 51685 1 36 . 1 1 43 43 ARG N N 15 1.25065 0.03303 . . . . . 51685 1 37 . 1 1 44 44 GLN N N 15 1.25429 0.02229 . . . . . 51685 1 38 . 1 1 45 45 LYS N N 15 1.2625 0.02929 . . . . . 51685 1 39 . 1 1 46 46 VAL N N 15 1.30998 0.05207 . . . . . 51685 1 40 . 1 1 48 48 VAL N N 15 1.31282 0.02867 . . . . . 51685 1 41 . 1 1 50 50 GLY N N 15 1.54218 0.02736 . . . . . 51685 1 42 . 1 1 51 51 GLY N N 15 1.35466 0.01245 . . . . . 51685 1 43 . 1 1 52 52 THR N N 15 1.26993 0.01889 . . . . . 51685 1 44 . 1 1 53 53 LEU N N 15 1.29372 0.02386 . . . . . 51685 1 45 . 1 1 54 54 LYS N N 15 1.10488 0.03619 . . . . . 51685 1 46 . 1 1 55 55 ASP N N 15 1.17042 0.02433 . . . . . 51685 1 47 . 1 1 56 56 ASP N N 15 1.35721 0.02977 . . . . . 51685 1 48 . 1 1 57 57 ASP N N 15 1.11184 0.01505 . . . . . 51685 1 49 . 1 1 58 58 TRP N N 15 1.23704 0.03096 . . . . . 51685 1 50 . 1 1 59 59 GLY N N 15 1.30465 0.02184 . . . . . 51685 1 51 . 1 1 61 61 ILE N N 15 1.2584 0.01769 . . . . . 51685 1 52 . 1 1 62 62 LYS N N 15 1.35365 0.02021 . . . . . 51685 1 53 . 1 1 63 63 ILE N N 15 1.10035 0.02262 . . . . . 51685 1 54 . 1 1 64 64 LYS N N 15 1.10789 0.01928 . . . . . 51685 1 55 . 1 1 65 65 ASN N N 15 1.14482 0.02295 . . . . . 51685 1 56 . 1 1 66 66 GLY N N 15 1.30899 0.03494 . . . . . 51685 1 57 . 1 1 67 67 MET N N 15 1.26382 0.02506 . . . . . 51685 1 58 . 1 1 69 69 LEU N N 15 1.27596 0.03531 . . . . . 51685 1 59 . 1 1 71 71 MET N N 15 1.30816 0.01888 . . . . . 51685 1 60 . 1 1 72 72 MET N N 15 1.28206 0.05072 . . . . . 51685 1 61 . 1 1 73 73 GLY N N 15 1.36057 0.04342 . . . . . 51685 1 62 . 1 1 74 74 SER N N 15 1.39264 0.0164 . . . . . 51685 1 63 . 1 1 75 75 ALA N N 15 1.42975 0.02093 . . . . . 51685 1 64 . 1 1 76 76 ASP N N 15 1.34156 0.02071 . . . . . 51685 1 65 . 1 1 77 77 ALA N N 15 1.37039 0.01394 . . . . . 51685 1 66 . 1 1 78 78 LEU N N 15 1.30386 0.01095 . . . . . 51685 1 67 . 1 1 80 80 GLU N N 15 1.33547 0.01137 . . . . . 51685 1 68 . 1 1 81 81 GLU N N 15 1.3679 0.01148 . . . . . 51685 1 69 . 1 1 83 83 SER N N 15 1.37869 0.01619 . . . . . 51685 1 70 . 1 1 84 84 ALA N N 15 1.40796 0.01906 . . . . . 51685 1 71 . 1 1 85 85 LYS N N 15 1.3906 0.01537 . . . . . 51685 1 72 . 1 1 86 86 THR N N 15 1.44275 0.02059 . . . . . 51685 1 73 . 1 1 87 87 VAL N N 15 1.42384 0.00896 . . . . . 51685 1 74 . 1 1 88 88 PHE N N 15 1.41528 0.01519 . . . . . 51685 1 75 . 1 1 89 89 VAL N N 15 1.38737 0.00966 . . . . . 51685 1 76 . 1 1 90 90 GLU N N 15 1.44226 0.01383 . . . . . 51685 1 77 . 1 1 91 91 ASP N N 15 1.39638 0.00965 . . . . . 51685 1 78 . 1 1 92 92 MET N N 15 1.37856 0.01629 . . . . . 51685 1 79 . 1 1 93 93 THR N N 15 1.37988 0.01772 . . . . . 51685 1 80 . 1 1 94 94 GLU N N 15 1.39932 0.01053 . . . . . 51685 1 81 . 1 1 95 95 GLU N N 15 1.34921 0.01033 . . . . . 51685 1 82 . 1 1 96 96 GLN N N 15 1.35858 0.01877 . . . . . 51685 1 83 . 1 1 97 97 LEU N N 15 1.35299 0.01019 . . . . . 51685 1 84 . 1 1 98 98 ALA N N 15 1.36044 0.0139 . . . . . 51685 1 85 . 1 1 99 99 SER N N 15 1.26697 0.01221 . . . . . 51685 1 86 . 1 1 100 100 ALA N N 15 1.35786 0.02167 . . . . . 51685 1 87 . 1 1 101 101 MET N N 15 1.19816 0.02448 . . . . . 51685 1 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 51685 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name R2_list _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'External probe' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type I(+,-) _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 7 'T1rho/R1rho relaxation' . . . 51685 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 1 $software_1 . . 51685 1 2 $software_2 . . 51685 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 3 3 LEU N N 15 12.19927 0.11673 . . . . . . . 51685 1 2 . 1 1 4 4 TYR N N 15 20.62573 0.36863 . . . . . . . 51685 1 3 . 1 1 5 5 SER N N 15 19.99743 0.5627 . . . . . . . 51685 1 4 . 1 1 6 6 VAL N N 15 18.81224 0.52017 . . . . . . . 51685 1 5 . 1 1 7 7 THR N N 15 20.54075 0.50949 . . . . . . . 51685 1 6 . 1 1 9 9 LYS N N 15 18.16814 0.43715 . . . . . . . 51685 1 7 . 1 1 10 10 TRP N N 15 18.44312 0.51188 . . . . . . . 51685 1 8 . 1 1 11 11 GLY N N 15 17.48689 0.44184 . . . . . . . 51685 1 9 . 1 1 12 12 LYS N N 15 20.41867 0.78408 . . . . . . . 51685 1 10 . 1 1 13 13 GLU N N 15 18.41244 0.27212 . . . . . . . 51685 1 11 . 1 1 14 14 LYS N N 15 14.42448 0.26352 . . . . . . . 51685 1 12 . 1 1 16 16 GLU N N 15 17.70803 0.29403 . . . . . . . 51685 1 13 . 1 1 17 17 GLY N N 15 16.22379 0.48485 . . . . . . . 51685 1 14 . 1 1 18 18 VAL N N 15 18.77117 0.31085 . . . . . . . 51685 1 15 . 1 1 19 19 GLU N N 15 18.93897 0.19209 . . . . . . . 51685 1 16 . 1 1 20 20 LEU N N 15 18.30234 0.39457 . . . . . . . 51685 1 17 . 1 1 21 21 ASN N N 15 20.52405 0.73501 . . . . . . . 51685 1 18 . 1 1 22 22 THR N N 15 17.84537 0.47973 . . . . . . . 51685 1 19 . 1 1 23 23 ASP N N 15 20.27556 0.48297 . . . . . . . 51685 1 20 . 1 1 24 24 GLU N N 15 17.43258 0.34652 . . . . . . . 51685 1 21 . 1 1 27 27 MET N N 15 18.10752 0.21565 . . . . . . . 51685 1 22 . 1 1 28 28 VAL N N 15 18.82714 0.53106 . . . . . . . 51685 1 23 . 1 1 29 29 PHE N N 15 18.10675 0.64367 . . . . . . . 51685 1 24 . 1 1 30 30 LYS N N 15 22.687 0.80679 . . . . . . . 51685 1 25 . 1 1 31 31 ALA N N 15 16.65425 0.55074 . . . . . . . 51685 1 26 . 1 1 32 32 GLN N N 15 19.29827 0.30098 . . . . . . . 51685 1 27 . 1 1 33 33 LEU N N 15 18.6747 0.5296 . . . . . . . 51685 1 28 . 1 1 34 34 PHE N N 15 13.53241 0.58853 . . . . . . . 51685 1 29 . 1 1 35 35 ALA N N 15 19.29598 0.39727 . . . . . . . 51685 1 30 . 1 1 36 36 LEU N N 15 18.41872 0.59652 . . . . . . . 51685 1 31 . 1 1 37 37 THR N N 15 15.2272 0.53367 . . . . . . . 51685 1 32 . 1 1 38 38 GLY N N 15 20.6588 0.60334 . . . . . . . 51685 1 33 . 1 1 39 39 VAL N N 15 18.70081 0.29007 . . . . . . . 51685 1 34 . 1 1 40 40 GLN N N 15 18.88784 0.59235 . . . . . . . 51685 1 35 . 1 1 43 43 ARG N N 15 17.51098 0.4711 . . . . . . . 51685 1 36 . 1 1 44 44 GLN N N 15 18.07757 0.43617 . . . . . . . 51685 1 37 . 1 1 45 45 LYS N N 15 34.49891 1.27473 . . . . . . . 51685 1 38 . 1 1 46 46 VAL N N 15 22.36773 0.62518 . . . . . . . 51685 1 39 . 1 1 48 48 VAL N N 15 15.56905 0.3628 . . . . . . . 51685 1 40 . 1 1 50 50 GLY N N 15 11.86382 0.47337 . . . . . . . 51685 1 41 . 1 1 51 51 GLY N N 15 14.17125 0.2084 . . . . . . . 51685 1 42 . 1 1 52 52 THR N N 15 13.12072 0.16594 . . . . . . . 51685 1 43 . 1 1 53 53 LEU N N 15 18.18522 0.55257 . . . . . . . 51685 1 44 . 1 1 54 54 LYS N N 15 18.62411 0.60626 . . . . . . . 51685 1 45 . 1 1 55 55 ASP N N 15 12.92872 0.26547 . . . . . . . 51685 1 46 . 1 1 56 56 ASP N N 15 18.21263 0.60772 . . . . . . . 51685 1 47 . 1 1 57 57 ASP N N 15 15.73906 0.19318 . . . . . . . 51685 1 48 . 1 1 58 58 TRP N N 15 18.47667 0.29079 . . . . . . . 51685 1 49 . 1 1 59 59 GLY N N 15 16.91532 0.18667 . . . . . . . 51685 1 50 . 1 1 61 61 ILE N N 15 16.0875 0.14491 . . . . . . . 51685 1 51 . 1 1 62 62 LYS N N 15 15.59561 0.24528 . . . . . . . 51685 1 52 . 1 1 63 63 ILE N N 15 13.71889 0.1937 . . . . . . . 51685 1 53 . 1 1 64 64 LYS N N 15 18.02174 0.25991 . . . . . . . 51685 1 54 . 1 1 65 65 ASN N N 15 19.61084 0.39702 . . . . . . . 51685 1 55 . 1 1 66 66 GLY N N 15 19.28948 0.52875 . . . . . . . 51685 1 56 . 1 1 67 67 MET N N 15 18.74093 0.25861 . . . . . . . 51685 1 57 . 1 1 69 69 LEU N N 15 17.71286 0.59934 . . . . . . . 51685 1 58 . 1 1 71 71 MET N N 15 18.21426 0.26287 . . . . . . . 51685 1 59 . 1 1 72 72 MET N N 15 18.99663 0.83317 . . . . . . . 51685 1 60 . 1 1 73 73 GLY N N 15 16.97735 0.47494 . . . . . . . 51685 1 61 . 1 1 74 74 SER N N 15 15.76121 0.35218 . . . . . . . 51685 1 62 . 1 1 75 75 ALA N N 15 15.1567 0.25761 . . . . . . . 51685 1 63 . 1 1 76 76 ASP N N 15 11.03073 0.14876 . . . . . . . 51685 1 64 . 1 1 77 77 ALA N N 15 7.67556 0.06773 . . . . . . . 51685 1 65 . 1 1 78 78 LEU N N 15 6.14351 0.06156 . . . . . . . 51685 1 66 . 1 1 80 80 GLU N N 15 5.67938 0.05143 . . . . . . . 51685 1 67 . 1 1 81 81 GLU N N 15 4.93783 0.07346 . . . . . . . 51685 1 68 . 1 1 83 83 SER N N 15 4.5755 0.13411 . . . . . . . 51685 1 69 . 1 1 84 84 ALA N N 15 4.68137 0.10331 . . . . . . . 51685 1 70 . 1 1 85 85 LYS N N 15 5.5151 0.12814 . . . . . . . 51685 1 71 . 1 1 86 86 THR N N 15 5.08004 0.05677 . . . . . . . 51685 1 72 . 1 1 87 87 VAL N N 15 5.26183 0.06186 . . . . . . . 51685 1 73 . 1 1 88 88 PHE N N 15 5.27524 0.06981 . . . . . . . 51685 1 74 . 1 1 89 89 VAL N N 15 5.99571 0.03891 . . . . . . . 51685 1 75 . 1 1 90 90 GLU N N 15 6.76841 0.06679 . . . . . . . 51685 1 76 . 1 1 91 91 ASP N N 15 6.32975 0.07476 . . . . . . . 51685 1 77 . 1 1 92 92 MET N N 15 7.24814 0.04951 . . . . . . . 51685 1 78 . 1 1 93 93 THR N N 15 9.29595 0.12733 . . . . . . . 51685 1 79 . 1 1 94 94 GLU N N 15 11.06123 0.10145 . . . . . . . 51685 1 80 . 1 1 95 95 GLU N N 15 11.12429 0.10639 . . . . . . . 51685 1 81 . 1 1 96 96 GLN N N 15 11.39882 0.11077 . . . . . . . 51685 1 82 . 1 1 97 97 LEU N N 15 10.70992 0.05792 . . . . . . . 51685 1 83 . 1 1 98 98 ALA N N 15 11.06396 0.09458 . . . . . . . 51685 1 84 . 1 1 99 99 SER N N 15 11.39209 0.14298 . . . . . . . 51685 1 85 . 1 1 100 100 ALA N N 15 11.76339 0.09445 . . . . . . . 51685 1 86 . 1 1 101 101 MET N N 15 12.95745 0.18793 . . . . . . . 51685 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 51685 _Order_parameter_list.ID 1 _Order_parameter_list.Name S2_list _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 . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _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 5 $software_5 . . 51685 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 3 3 LEU N N 15 . . . . . . . . . . . . . . 0.7663 0.0084 . . . . . . . . . 51685 1 2 . 1 1 4 4 TYR N N 15 . . . . . . . . . . . . . . 0.8941 0.02 . . . . . . . . . 51685 1 3 . 1 1 5 5 SER N N 15 . . . . . . . . . . . . . . 0.9192 0.0219 . . . . . . . . . 51685 1 4 . 1 1 6 6 VAL N N 15 . . . . . . . . . . . . . . 0.951 0.0261 . . . . . . . . . 51685 1 5 . 1 1 7 7 THR N N 15 . . . . . . . . . . . . . . 0.9354 0.0432 . . . . . . . . . 51685 1 6 . 1 1 9 9 LYS N N 15 . . . . . . . . . . . . . . 0.9142 0.0199 . . . . . . . . . 51685 1 7 . 1 1 10 10 TRP N N 15 . . . . . . . . . . . . . . 0.9197 0.0163 . . . . . . . . . 51685 1 8 . 1 1 11 11 GLY N N 15 . . . . . . . . . . . . . . 0.8452 0.0242 . . . . . . . . . 51685 1 9 . 1 1 12 12 LYS N N 15 . . . . . . . . . . . . . . 0.9483 0.0252 . . . . . . . . . 51685 1 10 . 1 1 13 13 GLU N N 15 . . . . . . . . . . . . . . 0.903 0.0075 . . . . . . . . . 51685 1 11 . 1 1 14 14 LYS N N 15 . . . . . . . . . . . . . . 0.8613 0.0096 . . . . . . . . . 51685 1 12 . 1 1 16 16 GLU N N 15 . . . . . . . . . . . . . . 0.8926 0.0149 . . . . . . . . . 51685 1 13 . 1 1 17 17 GLY N N 15 . . . . . . . . . . . . . . 0.9452 0.0074 . . . . . . . . . 51685 1 14 . 1 1 18 18 VAL N N 15 . . . . . . . . . . . . . . 0.88 0.0186 . . . . . . . . . 51685 1 15 . 1 1 19 19 GLU N N 15 . . . . . . . . . . . . . . 0.9474 0.0142 . . . . . . . . . 51685 1 16 . 1 1 20 20 LEU N N 15 . . . . . . . . . . . . . . 0.9229 0.0199 . . . . . . . . . 51685 1 17 . 1 1 21 21 ASN N N 15 . . . . . . . . . . . . . . 0.9351 0.0176 . . . . . . . . . 51685 1 18 . 1 1 22 22 THR N N 15 . . . . . . . . . . . . . . 0.9604 0.0234 . . . . . . . . . 51685 1 19 . 1 1 23 23 ASP N N 15 . . . . . . . . . . . . . . 0.8777 0.0177 . . . . . . . . . 51685 1 20 . 1 1 24 24 GLU N N 15 . . . . . . . . . . . . . . 0.9349 0.012 . . . . . . . . . 51685 1 21 . 1 1 27 27 MET N N 15 . . . . . . . . . . . . . . 0.9471 0.0116 . . . . . . . . . 51685 1 22 . 1 1 28 28 VAL N N 15 . . . . . . . . . . . . . . 0.8284 0.0185 . . . . . . . . . 51685 1 23 . 1 1 29 29 PHE N N 15 . . . . . . . . . . . . . . 0.8745 0.0343 . . . . . . . . . 51685 1 24 . 1 1 30 30 LYS N N 15 . . . . . . . . . . . . . . 0.9282 0.0276 . . . . . . . . . 51685 1 25 . 1 1 31 31 ALA N N 15 . . . . . . . . . . . . . . 0.8973 0.0103 . . . . . . . . . 51685 1 26 . 1 1 32 32 GLN N N 15 . . . . . . . . . . . . . . 0.8856 0.0138 . . . . . . . . . 51685 1 27 . 1 1 33 33 LEU N N 15 . . . . . . . . . . . . . . 0.937 0.0229 . . . . . . . . . 51685 1 28 . 1 1 35 35 ALA N N 15 . . . . . . . . . . . . . . 0.8996 0.0146 . . . . . . . . . 51685 1 29 . 1 1 36 36 LEU N N 15 . . . . . . . . . . . . . . 0.9317 0.0117 . . . . . . . . . 51685 1 30 . 1 1 37 37 THR N N 15 . . . . . . . . . . . . . . 0.9088 0.0195 . . . . . . . . . 51685 1 31 . 1 1 38 38 GLY N N 15 . . . . . . . . . . . . . . 0.9626 0.0167 . . . . . . . . . 51685 1 32 . 1 1 39 39 VAL N N 15 . . . . . . . . . . . . . . 0.8573 0.0221 . . . . . . . . . 51685 1 33 . 1 1 40 40 GLN N N 15 . . . . . . . . . . . . . . 0.9282 0.0166 . . . . . . . . . 51685 1 34 . 1 1 43 43 ARG N N 15 . . . . . . . . . . . . . . 0.9396 0.0191 . . . . . . . . . 51685 1 35 . 1 1 44 44 GLN N N 15 . . . . . . . . . . . . . . 0.9208 0.0159 . . . . . . . . . 51685 1 36 . 1 1 45 45 LYS N N 15 . . . . . . . . . . . . . . 0.9214 0.0254 . . . . . . . . . 51685 1 37 . 1 1 46 46 VAL N N 15 . . . . . . . . . . . . . . 0.8757 0.032 . . . . . . . . . 51685 1 38 . 1 1 48 48 VAL N N 15 . . . . . . . . . . . . . . 0.8789 0.0189 . . . . . . . . . 51685 1 39 . 1 1 50 50 GLY N N 15 . . . . . . . . . . . . . . 0.6572 0.0198 . . . . . . . . . 51685 1 40 . 1 1 51 51 GLY N N 15 . . . . . . . . . . . . . . 0.8384 0.0064 . . . . . . . . . 51685 1 41 . 1 1 52 52 THR N N 15 . . . . . . . . . . . . . . 0.8409 0.0093 . . . . . . . . . 51685 1 42 . 1 1 53 53 LEU N N 15 . . . . . . . . . . . . . . 0.8924 0.0137 . . . . . . . . . 51685 1 43 . 1 1 54 54 LYS N N 15 . . . . . . . . . . . . . . 0.9484 0.0152 . . . . . . . . . 51685 1 44 . 1 1 55 55 ASP N N 15 . . . . . . . . . . . . . . 0.9 0.0144 . . . . . . . . . 51685 1 45 . 1 1 56 56 ASP N N 15 . . . . . . . . . . . . . . 0.839 0.0222 . . . . . . . . . 51685 1 46 . 1 1 57 57 ASP N N 15 . . . . . . . . . . . . . . 0.9227 0.0085 . . . . . . . . . 51685 1 47 . 1 1 58 58 TRP N N 15 . . . . . . . . . . . . . . 0.9296 0.0169 . . . . . . . . . 51685 1 48 . 1 1 59 59 GLY N N 15 . . . . . . . . . . . . . . 0.8824 0.0142 . . . . . . . . . 51685 1 49 . 1 1 61 61 ILE N N 15 . . . . . . . . . . . . . . 0.8696 0.013 . . . . . . . . . 51685 1 50 . 1 1 62 62 LYS N N 15 . . . . . . . . . . . . . . 0.7862 0.0132 . . . . . . . . . 51685 1 51 . 1 1 64 64 LYS N N 15 . . . . . . . . . . . . . . 0.9514 0.0137 . . . . . . . . . 51685 1 52 . 1 1 65 65 ASN N N 15 . . . . . . . . . . . . . . 0.9334 0.0145 . . . . . . . . . 51685 1 53 . 1 1 66 66 GLY N N 15 . . . . . . . . . . . . . . 0.86 0.0188 . . . . . . . . . 51685 1 54 . 1 1 67 67 MET N N 15 . . . . . . . . . . . . . . 0.9051 0.0138 . . . . . . . . . 51685 1 55 . 1 1 69 69 LEU N N 15 . . . . . . . . . . . . . . 0.9162 0.0212 . . . . . . . . . 51685 1 56 . 1 1 71 71 MET N N 15 . . . . . . . . . . . . . . 0.9031 0.0141 . . . . . . . . . 51685 1 57 . 1 1 72 72 MET N N 15 . . . . . . . . . . . . . . 0.8629 0.0274 . . . . . . . . . 51685 1 58 . 1 1 73 73 GLY N N 15 . . . . . . . . . . . . . . 0.8455 0.0267 . . . . . . . . . 51685 1 59 . 1 1 74 74 SER N N 15 . . . . . . . . . . . . . . 0.8394 0.0111 . . . . . . . . . 51685 1 60 . 1 1 75 75 ALA N N 15 . . . . . . . . . . . . . . 0.799 0.015 . . . . . . . . . 51685 1 61 . 1 1 76 76 ASP N N 15 . . . . . . . . . . . . . . 0.6589 0.0113 . . . . . . . . . 51685 1 62 . 1 1 77 77 ALA N N 15 . . . . . . . . . . . . . . 0.457 0.0063 . . . . . . . . . 51685 1 63 . 1 1 78 78 LEU N N 15 . . . . . . . . . . . . . . 0.3519 0.0049 . . . . . . . . . 51685 1 64 . 1 1 80 80 GLU N N 15 . . . . . . . . . . . . . . 0.3375 0.0049 . . . . . . . . . 51685 1 65 . 1 1 81 81 GLU N N 15 . . . . . . . . . . . . . . 0.2537 0.0058 . . . . . . . . . 51685 1 66 . 1 1 83 83 SER N N 15 . . . . . . . . . . . . . . 0.2444 0.0113 . . . . . . . . . 51685 1 67 . 1 1 84 84 ALA N N 15 . . . . . . . . . . . . . . 0.2443 0.0082 . . . . . . . . . 51685 1 68 . 1 1 85 85 LYS N N 15 . . . . . . . . . . . . . . 0.3013 0.008 . . . . . . . . . 51685 1 69 . 1 1 86 86 THR N N 15 . . . . . . . . . . . . . . 0.2756 0.006 . . . . . . . . . 51685 1 70 . 1 1 87 87 VAL N N 15 . . . . . . . . . . . . . . 0.2621 0.0043 . . . . . . . . . 51685 1 71 . 1 1 88 88 PHE N N 15 . . . . . . . . . . . . . . 0.2767 0.0057 . . . . . . . . . 51685 1 72 . 1 1 89 89 VAL N N 15 . . . . . . . . . . . . . . 0.3536 0.0033 . . . . . . . . . 51685 1 73 . 1 1 90 90 GLU N N 15 . . . . . . . . . . . . . . 0.398 0.0066 . . . . . . . . . 51685 1 74 . 1 1 91 91 ASP N N 15 . . . . . . . . . . . . . . 0.3845 0.0061 . . . . . . . . . 51685 1 75 . 1 1 92 92 MET N N 15 . . . . . . . . . . . . . . 0.4148 0.0049 . . . . . . . . . 51685 1 76 . 1 1 93 93 THR N N 15 . . . . . . . . . . . . . . 0.5367 0.0086 . . . . . . . . . 51685 1 77 . 1 1 94 94 GLU N N 15 . . . . . . . . . . . . . . 0.6257 0.0059 . . . . . . . . . 51685 1 78 . 1 1 95 95 GLU N N 15 . . . . . . . . . . . . . . 0.606 0.0054 . . . . . . . . . 51685 1 79 . 1 1 96 96 GLN N N 15 . . . . . . . . . . . . . . 0.6017 0.0067 . . . . . . . . . 51685 1 80 . 1 1 97 97 LEU N N 15 . . . . . . . . . . . . . . 0.6149 0.0043 . . . . . . . . . 51685 1 81 . 1 1 98 98 ALA N N 15 . . . . . . . . . . . . . . 0.6328 0.0059 . . . . . . . . . 51685 1 82 . 1 1 99 99 SER N N 15 . . . . . . . . . . . . . . 0.6407 0.008 . . . . . . . . . 51685 1 83 . 1 1 100 100 ALA N N 15 . . . . . . . . . . . . . . 0.6533 0.0065 . . . . . . . . . 51685 1 84 . 1 1 101 101 MET N N 15 . . . . . . . . . . . . . . 0.7511 0.0063 . . . . . . . . . 51685 1 stop_ save_