data_34707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34707 _Entry.Title ; Solution structure of the designed Armadillo repeat protein N(A4)M4C(AII) refined by pseudocontact shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-02 _Entry.Accession_date 2022-02-02 _Entry.Last_release_date 2022-03-03 _Entry.Original_release_date 2022-03-03 _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 NMR' _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 S. Cucuzza S. . . . 34707 2 O. Zerbe O. . . . 34707 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PEPTIDE BINDING PROTEIN' . 34707 'designed Armadillo repeat protein' . 34707 'repeat protein' . 34707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 218 34707 '1H chemical shifts' 217 34707 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 . . 2023-02-09 2022-02-02 update BMRB 'update entry citation' 34707 1 . . 2022-06-14 2022-02-02 original author 'original release' 34707 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7R0R 'BMRB Entry Tracking System' 34707 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34707 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35657362 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 62 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 318 _Citation.Page_last 329 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Michel E. . . . 34707 1 2 S. Cucuzza S. . . . 34707 1 3 P. Mittl P. R.E. . . 34707 1 4 O. Zerbe O. . . . 34707 1 5 A. Plueckthun A. . . . 34707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34707 _Assembly.ID 1 _Assembly.Name 'Designed Armadillo Repeat Protein N(A4)M4C(AII)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHSSGIEGRSSG YKLILNGKTLKGETTTEAVD AATAEKVFKQYANDNGVDGE WTYDDATKTFTVTEGGGGSM VSKGEELFTGVVPILVELDG DVNGHKFSVSGEGEGDATYG KLTLKFICTTGKLPVPWPTL VTTLTYGVQCFSRYPDHMKQ HDFFKSAMPEGYVQERTIFF KDDGNYKTRAEVKFEGDTLV NRIELKGIDFKEDGNILGHK LEYNYNSHNVYIMADKQKNG IKVNFKIRHNIEDGSVQLAD HYQQNTPIGDGPVLLPDNHY LSTQSALSKDPNEKRDHMVL LEFVTAAGITLGMDELYKGG GGSLEVLFQGPDLPKLVKLL KSSNEEILLKALRALAEIAS GGNEQIQAVIDAGALPALVQ LLSSPNEQILQEALWALSNI ASGGNEQIQAVIDAGALPAL VQLLSSPNEQILQEALWALS NIASGGNEQIQAVIDAGALP ALVQLLSSPNEQILQEALWA LSNIASGGNEQIQAVIDAGA LPALVQLLSSPNEQILQEAL WALSNIASGGNEQKQAVKEA GALEKLEQLQSHENEKIQKE AQEALEKLQSH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 571 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 61907.219 _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 . 34707 1 2 . ARG . 34707 1 3 . GLY . 34707 1 4 . SER . 34707 1 5 . HIS . 34707 1 6 . HIS . 34707 1 7 . HIS . 34707 1 8 . HIS . 34707 1 9 . HIS . 34707 1 10 . HIS . 34707 1 11 . SER . 34707 1 12 . SER . 34707 1 13 . GLY . 34707 1 14 . ILE . 34707 1 15 . GLU . 34707 1 16 . GLY . 34707 1 17 . ARG . 34707 1 18 . SER . 34707 1 19 . SER . 34707 1 20 . GLY . 34707 1 21 . TYR . 34707 1 22 . LYS . 34707 1 23 . LEU . 34707 1 24 . ILE . 34707 1 25 . LEU . 34707 1 26 . ASN . 34707 1 27 . GLY . 34707 1 28 . LYS . 34707 1 29 . THR . 34707 1 30 . LEU . 34707 1 31 . LYS . 34707 1 32 . GLY . 34707 1 33 . GLU . 34707 1 34 . THR . 34707 1 35 . THR . 34707 1 36 . THR . 34707 1 37 . GLU . 34707 1 38 . ALA . 34707 1 39 . VAL . 34707 1 40 . ASP . 34707 1 41 . ALA . 34707 1 42 . ALA . 34707 1 43 . THR . 34707 1 44 . ALA . 34707 1 45 . GLU . 34707 1 46 . LYS . 34707 1 47 . VAL . 34707 1 48 . PHE . 34707 1 49 . LYS . 34707 1 50 . GLN . 34707 1 51 . TYR . 34707 1 52 . ALA . 34707 1 53 . ASN . 34707 1 54 . ASP . 34707 1 55 . ASN . 34707 1 56 . GLY . 34707 1 57 . VAL . 34707 1 58 . ASP . 34707 1 59 . GLY . 34707 1 60 . GLU . 34707 1 61 . TRP . 34707 1 62 . THR . 34707 1 63 . TYR . 34707 1 64 . ASP . 34707 1 65 . ASP . 34707 1 66 . ALA . 34707 1 67 . THR . 34707 1 68 . LYS . 34707 1 69 . THR . 34707 1 70 . PHE . 34707 1 71 . THR . 34707 1 72 . VAL . 34707 1 73 . THR . 34707 1 74 . GLU . 34707 1 75 . GLY . 34707 1 76 . GLY . 34707 1 77 . GLY . 34707 1 78 . GLY . 34707 1 79 . SER . 34707 1 80 . MET . 34707 1 81 . VAL . 34707 1 82 . SER . 34707 1 83 . LYS . 34707 1 84 . GLY . 34707 1 85 . GLU . 34707 1 86 . GLU . 34707 1 87 . LEU . 34707 1 88 . PHE . 34707 1 89 . THR . 34707 1 90 . GLY . 34707 1 91 . VAL . 34707 1 92 . VAL . 34707 1 93 . PRO . 34707 1 94 . ILE . 34707 1 95 . LEU . 34707 1 96 . VAL . 34707 1 97 . GLU . 34707 1 98 . LEU . 34707 1 99 . ASP . 34707 1 100 . GLY . 34707 1 101 . ASP . 34707 1 102 . VAL . 34707 1 103 . ASN . 34707 1 104 . GLY . 34707 1 105 . HIS . 34707 1 106 . LYS . 34707 1 107 . PHE . 34707 1 108 . SER . 34707 1 109 . VAL . 34707 1 110 . SER . 34707 1 111 . GLY . 34707 1 112 . GLU . 34707 1 113 . GLY . 34707 1 114 . GLU . 34707 1 115 . GLY . 34707 1 116 . ASP . 34707 1 117 . ALA . 34707 1 118 . THR . 34707 1 119 . TYR . 34707 1 120 . GLY . 34707 1 121 . LYS . 34707 1 122 . LEU . 34707 1 123 . THR . 34707 1 124 . LEU . 34707 1 125 . LYS . 34707 1 126 . PHE . 34707 1 127 . ILE . 34707 1 128 . CYS . 34707 1 129 . THR . 34707 1 130 . THR . 34707 1 131 . GLY . 34707 1 132 . LYS . 34707 1 133 . LEU . 34707 1 134 . PRO . 34707 1 135 . VAL . 34707 1 136 . PRO . 34707 1 137 . TRP . 34707 1 138 . PRO . 34707 1 139 . THR . 34707 1 140 . LEU . 34707 1 141 . VAL . 34707 1 142 . THR . 34707 1 143 . THR . 34707 1 144 . LEU . 34707 1 145 . THR . 34707 1 146 . TYR . 34707 1 147 . GLY . 34707 1 148 . VAL . 34707 1 149 . GLN . 34707 1 150 . CYS . 34707 1 151 . PHE . 34707 1 152 . SER . 34707 1 153 . ARG . 34707 1 154 . TYR . 34707 1 155 . PRO . 34707 1 156 . ASP . 34707 1 157 . HIS . 34707 1 158 . MET . 34707 1 159 . LYS . 34707 1 160 . GLN . 34707 1 161 . HIS . 34707 1 162 . ASP . 34707 1 163 . PHE . 34707 1 164 . PHE . 34707 1 165 . LYS . 34707 1 166 . SER . 34707 1 167 . ALA . 34707 1 168 . MET . 34707 1 169 . PRO . 34707 1 170 . GLU . 34707 1 171 . GLY . 34707 1 172 . TYR . 34707 1 173 . VAL . 34707 1 174 . GLN . 34707 1 175 . GLU . 34707 1 176 . ARG . 34707 1 177 . THR . 34707 1 178 . ILE . 34707 1 179 . PHE . 34707 1 180 . PHE . 34707 1 181 . LYS . 34707 1 182 . ASP . 34707 1 183 . ASP . 34707 1 184 . GLY . 34707 1 185 . ASN . 34707 1 186 . TYR . 34707 1 187 . LYS . 34707 1 188 . THR . 34707 1 189 . ARG . 34707 1 190 . ALA . 34707 1 191 . GLU . 34707 1 192 . VAL . 34707 1 193 . LYS . 34707 1 194 . PHE . 34707 1 195 . GLU . 34707 1 196 . GLY . 34707 1 197 . ASP . 34707 1 198 . THR . 34707 1 199 . LEU . 34707 1 200 . VAL . 34707 1 201 . ASN . 34707 1 202 . ARG . 34707 1 203 . ILE . 34707 1 204 . GLU . 34707 1 205 . LEU . 34707 1 206 . LYS . 34707 1 207 . GLY . 34707 1 208 . ILE . 34707 1 209 . ASP . 34707 1 210 . PHE . 34707 1 211 . LYS . 34707 1 212 . GLU . 34707 1 213 . ASP . 34707 1 214 . GLY . 34707 1 215 . ASN . 34707 1 216 . ILE . 34707 1 217 . LEU . 34707 1 218 . GLY . 34707 1 219 . HIS . 34707 1 220 . LYS . 34707 1 221 . LEU . 34707 1 222 . GLU . 34707 1 223 . TYR . 34707 1 224 . ASN . 34707 1 225 . TYR . 34707 1 226 . ASN . 34707 1 227 . SER . 34707 1 228 . HIS . 34707 1 229 . ASN . 34707 1 230 . VAL . 34707 1 231 . TYR . 34707 1 232 . ILE . 34707 1 233 . MET . 34707 1 234 . ALA . 34707 1 235 . ASP . 34707 1 236 . LYS . 34707 1 237 . GLN . 34707 1 238 . LYS . 34707 1 239 . ASN . 34707 1 240 . GLY . 34707 1 241 . ILE . 34707 1 242 . LYS . 34707 1 243 . VAL . 34707 1 244 . ASN . 34707 1 245 . PHE . 34707 1 246 . LYS . 34707 1 247 . ILE . 34707 1 248 . ARG . 34707 1 249 . HIS . 34707 1 250 . ASN . 34707 1 251 . ILE . 34707 1 252 . GLU . 34707 1 253 . ASP . 34707 1 254 . GLY . 34707 1 255 . SER . 34707 1 256 . VAL . 34707 1 257 . GLN . 34707 1 258 . LEU . 34707 1 259 . ALA . 34707 1 260 . ASP . 34707 1 261 . HIS . 34707 1 262 . TYR . 34707 1 263 . GLN . 34707 1 264 . GLN . 34707 1 265 . ASN . 34707 1 266 . THR . 34707 1 267 . PRO . 34707 1 268 . ILE . 34707 1 269 . GLY . 34707 1 270 . ASP . 34707 1 271 . GLY . 34707 1 272 . PRO . 34707 1 273 . VAL . 34707 1 274 . LEU . 34707 1 275 . LEU . 34707 1 276 . PRO . 34707 1 277 . ASP . 34707 1 278 . ASN . 34707 1 279 . HIS . 34707 1 280 . TYR . 34707 1 281 . LEU . 34707 1 282 . SER . 34707 1 283 . THR . 34707 1 284 . GLN . 34707 1 285 . SER . 34707 1 286 . ALA . 34707 1 287 . LEU . 34707 1 288 . SER . 34707 1 289 . LYS . 34707 1 290 . ASP . 34707 1 291 . PRO . 34707 1 292 . ASN . 34707 1 293 . GLU . 34707 1 294 . LYS . 34707 1 295 . ARG . 34707 1 296 . ASP . 34707 1 297 . HIS . 34707 1 298 . MET . 34707 1 299 . VAL . 34707 1 300 . LEU . 34707 1 301 . LEU . 34707 1 302 . GLU . 34707 1 303 . PHE . 34707 1 304 . VAL . 34707 1 305 . THR . 34707 1 306 . ALA . 34707 1 307 . ALA . 34707 1 308 . GLY . 34707 1 309 . ILE . 34707 1 310 . THR . 34707 1 311 . LEU . 34707 1 312 . GLY . 34707 1 313 . MET . 34707 1 314 . ASP . 34707 1 315 . GLU . 34707 1 316 . LEU . 34707 1 317 . TYR . 34707 1 318 . LYS . 34707 1 319 . GLY . 34707 1 320 . GLY . 34707 1 321 . GLY . 34707 1 322 . GLY . 34707 1 323 . SER . 34707 1 324 . LEU . 34707 1 325 . GLU . 34707 1 326 . VAL . 34707 1 327 . LEU . 34707 1 328 . PHE . 34707 1 329 . GLN . 34707 1 330 . GLY . 34707 1 331 . PRO . 34707 1 332 . ASP . 34707 1 333 . LEU . 34707 1 334 . PRO . 34707 1 335 . LYS . 34707 1 336 . LEU . 34707 1 337 . VAL . 34707 1 338 . LYS . 34707 1 339 . LEU . 34707 1 340 . LEU . 34707 1 341 . LYS . 34707 1 342 . SER . 34707 1 343 . SER . 34707 1 344 . ASN . 34707 1 345 . GLU . 34707 1 346 . GLU . 34707 1 347 . ILE . 34707 1 348 . LEU . 34707 1 349 . LEU . 34707 1 350 . LYS . 34707 1 351 . ALA . 34707 1 352 . LEU . 34707 1 353 . ARG . 34707 1 354 . ALA . 34707 1 355 . LEU . 34707 1 356 . ALA . 34707 1 357 . GLU . 34707 1 358 . ILE . 34707 1 359 . ALA . 34707 1 360 . SER . 34707 1 361 . GLY . 34707 1 362 . GLY . 34707 1 363 . ASN . 34707 1 364 . GLU . 34707 1 365 . GLN . 34707 1 366 . ILE . 34707 1 367 . GLN . 34707 1 368 . ALA . 34707 1 369 . VAL . 34707 1 370 . ILE . 34707 1 371 . ASP . 34707 1 372 . ALA . 34707 1 373 . GLY . 34707 1 374 . ALA . 34707 1 375 . LEU . 34707 1 376 . PRO . 34707 1 377 . ALA . 34707 1 378 . LEU . 34707 1 379 . VAL . 34707 1 380 . GLN . 34707 1 381 . LEU . 34707 1 382 . LEU . 34707 1 383 . SER . 34707 1 384 . SER . 34707 1 385 . PRO . 34707 1 386 . ASN . 34707 1 387 . GLU . 34707 1 388 . GLN . 34707 1 389 . ILE . 34707 1 390 . LEU . 34707 1 391 . GLN . 34707 1 392 . GLU . 34707 1 393 . ALA . 34707 1 394 . LEU . 34707 1 395 . TRP . 34707 1 396 . ALA . 34707 1 397 . LEU . 34707 1 398 . SER . 34707 1 399 . ASN . 34707 1 400 . ILE . 34707 1 401 . ALA . 34707 1 402 . SER . 34707 1 403 . GLY . 34707 1 404 . GLY . 34707 1 405 . ASN . 34707 1 406 . GLU . 34707 1 407 . GLN . 34707 1 408 . ILE . 34707 1 409 . GLN . 34707 1 410 . ALA . 34707 1 411 . VAL . 34707 1 412 . ILE . 34707 1 413 . ASP . 34707 1 414 . ALA . 34707 1 415 . GLY . 34707 1 416 . ALA . 34707 1 417 . LEU . 34707 1 418 . PRO . 34707 1 419 . ALA . 34707 1 420 . LEU . 34707 1 421 . VAL . 34707 1 422 . GLN . 34707 1 423 . LEU . 34707 1 424 . LEU . 34707 1 425 . SER . 34707 1 426 . SER . 34707 1 427 . PRO . 34707 1 428 . ASN . 34707 1 429 . GLU . 34707 1 430 . GLN . 34707 1 431 . ILE . 34707 1 432 . LEU . 34707 1 433 . GLN . 34707 1 434 . GLU . 34707 1 435 . ALA . 34707 1 436 . LEU . 34707 1 437 . TRP . 34707 1 438 . ALA . 34707 1 439 . LEU . 34707 1 440 . SER . 34707 1 441 . ASN . 34707 1 442 . ILE . 34707 1 443 . ALA . 34707 1 444 . SER . 34707 1 445 . GLY . 34707 1 446 . GLY . 34707 1 447 . ASN . 34707 1 448 . GLU . 34707 1 449 . GLN . 34707 1 450 . ILE . 34707 1 451 . GLN . 34707 1 452 . ALA . 34707 1 453 . VAL . 34707 1 454 . ILE . 34707 1 455 . ASP . 34707 1 456 . ALA . 34707 1 457 . GLY . 34707 1 458 . ALA . 34707 1 459 . LEU . 34707 1 460 . PRO . 34707 1 461 . ALA . 34707 1 462 . LEU . 34707 1 463 . VAL . 34707 1 464 . GLN . 34707 1 465 . LEU . 34707 1 466 . LEU . 34707 1 467 . SER . 34707 1 468 . SER . 34707 1 469 . PRO . 34707 1 470 . ASN . 34707 1 471 . GLU . 34707 1 472 . GLN . 34707 1 473 . ILE . 34707 1 474 . LEU . 34707 1 475 . GLN . 34707 1 476 . GLU . 34707 1 477 . ALA . 34707 1 478 . LEU . 34707 1 479 . TRP . 34707 1 480 . ALA . 34707 1 481 . LEU . 34707 1 482 . SER . 34707 1 483 . ASN . 34707 1 484 . ILE . 34707 1 485 . ALA . 34707 1 486 . SER . 34707 1 487 . GLY . 34707 1 488 . GLY . 34707 1 489 . ASN . 34707 1 490 . GLU . 34707 1 491 . GLN . 34707 1 492 . ILE . 34707 1 493 . GLN . 34707 1 494 . ALA . 34707 1 495 . VAL . 34707 1 496 . ILE . 34707 1 497 . ASP . 34707 1 498 . ALA . 34707 1 499 . GLY . 34707 1 500 . ALA . 34707 1 501 . LEU . 34707 1 502 . PRO . 34707 1 503 . ALA . 34707 1 504 . LEU . 34707 1 505 . VAL . 34707 1 506 . GLN . 34707 1 507 . LEU . 34707 1 508 . LEU . 34707 1 509 . SER . 34707 1 510 . SER . 34707 1 511 . PRO . 34707 1 512 . ASN . 34707 1 513 . GLU . 34707 1 514 . GLN . 34707 1 515 . ILE . 34707 1 516 . LEU . 34707 1 517 . GLN . 34707 1 518 . GLU . 34707 1 519 . ALA . 34707 1 520 . LEU . 34707 1 521 . TRP . 34707 1 522 . ALA . 34707 1 523 . LEU . 34707 1 524 . SER . 34707 1 525 . ASN . 34707 1 526 . ILE . 34707 1 527 . ALA . 34707 1 528 . SER . 34707 1 529 . GLY . 34707 1 530 . GLY . 34707 1 531 . ASN . 34707 1 532 . GLU . 34707 1 533 . GLN . 34707 1 534 . LYS . 34707 1 535 . GLN . 34707 1 536 . ALA . 34707 1 537 . VAL . 34707 1 538 . LYS . 34707 1 539 . GLU . 34707 1 540 . ALA . 34707 1 541 . GLY . 34707 1 542 . ALA . 34707 1 543 . LEU . 34707 1 544 . GLU . 34707 1 545 . LYS . 34707 1 546 . LEU . 34707 1 547 . GLU . 34707 1 548 . GLN . 34707 1 549 . LEU . 34707 1 550 . GLN . 34707 1 551 . SER . 34707 1 552 . HIS . 34707 1 553 . GLU . 34707 1 554 . ASN . 34707 1 555 . GLU . 34707 1 556 . LYS . 34707 1 557 . ILE . 34707 1 558 . GLN . 34707 1 559 . LYS . 34707 1 560 . GLU . 34707 1 561 . ALA . 34707 1 562 . GLN . 34707 1 563 . GLU . 34707 1 564 . ALA . 34707 1 565 . LEU . 34707 1 566 . GLU . 34707 1 567 . LYS . 34707 1 568 . LEU . 34707 1 569 . GLN . 34707 1 570 . SER . 34707 1 571 . HIS . 34707 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 34707 1 . ARG 2 2 34707 1 . GLY 3 3 34707 1 . SER 4 4 34707 1 . HIS 5 5 34707 1 . HIS 6 6 34707 1 . HIS 7 7 34707 1 . HIS 8 8 34707 1 . HIS 9 9 34707 1 . HIS 10 10 34707 1 . SER 11 11 34707 1 . SER 12 12 34707 1 . GLY 13 13 34707 1 . ILE 14 14 34707 1 . GLU 15 15 34707 1 . GLY 16 16 34707 1 . ARG 17 17 34707 1 . SER 18 18 34707 1 . SER 19 19 34707 1 . GLY 20 20 34707 1 . TYR 21 21 34707 1 . LYS 22 22 34707 1 . LEU 23 23 34707 1 . ILE 24 24 34707 1 . LEU 25 25 34707 1 . ASN 26 26 34707 1 . GLY 27 27 34707 1 . LYS 28 28 34707 1 . THR 29 29 34707 1 . LEU 30 30 34707 1 . LYS 31 31 34707 1 . GLY 32 32 34707 1 . GLU 33 33 34707 1 . THR 34 34 34707 1 . THR 35 35 34707 1 . THR 36 36 34707 1 . GLU 37 37 34707 1 . ALA 38 38 34707 1 . VAL 39 39 34707 1 . ASP 40 40 34707 1 . ALA 41 41 34707 1 . ALA 42 42 34707 1 . THR 43 43 34707 1 . ALA 44 44 34707 1 . GLU 45 45 34707 1 . LYS 46 46 34707 1 . VAL 47 47 34707 1 . PHE 48 48 34707 1 . LYS 49 49 34707 1 . GLN 50 50 34707 1 . TYR 51 51 34707 1 . ALA 52 52 34707 1 . ASN 53 53 34707 1 . ASP 54 54 34707 1 . ASN 55 55 34707 1 . GLY 56 56 34707 1 . VAL 57 57 34707 1 . ASP 58 58 34707 1 . GLY 59 59 34707 1 . GLU 60 60 34707 1 . TRP 61 61 34707 1 . THR 62 62 34707 1 . TYR 63 63 34707 1 . ASP 64 64 34707 1 . ASP 65 65 34707 1 . ALA 66 66 34707 1 . THR 67 67 34707 1 . LYS 68 68 34707 1 . THR 69 69 34707 1 . PHE 70 70 34707 1 . THR 71 71 34707 1 . VAL 72 72 34707 1 . THR 73 73 34707 1 . GLU 74 74 34707 1 . GLY 75 75 34707 1 . GLY 76 76 34707 1 . GLY 77 77 34707 1 . GLY 78 78 34707 1 . SER 79 79 34707 1 . MET 80 80 34707 1 . VAL 81 81 34707 1 . SER 82 82 34707 1 . LYS 83 83 34707 1 . GLY 84 84 34707 1 . GLU 85 85 34707 1 . GLU 86 86 34707 1 . LEU 87 87 34707 1 . PHE 88 88 34707 1 . THR 89 89 34707 1 . GLY 90 90 34707 1 . VAL 91 91 34707 1 . VAL 92 92 34707 1 . PRO 93 93 34707 1 . ILE 94 94 34707 1 . LEU 95 95 34707 1 . VAL 96 96 34707 1 . GLU 97 97 34707 1 . LEU 98 98 34707 1 . ASP 99 99 34707 1 . GLY 100 100 34707 1 . ASP 101 101 34707 1 . VAL 102 102 34707 1 . ASN 103 103 34707 1 . GLY 104 104 34707 1 . HIS 105 105 34707 1 . LYS 106 106 34707 1 . PHE 107 107 34707 1 . SER 108 108 34707 1 . VAL 109 109 34707 1 . SER 110 110 34707 1 . GLY 111 111 34707 1 . GLU 112 112 34707 1 . GLY 113 113 34707 1 . GLU 114 114 34707 1 . GLY 115 115 34707 1 . ASP 116 116 34707 1 . ALA 117 117 34707 1 . THR 118 118 34707 1 . TYR 119 119 34707 1 . GLY 120 120 34707 1 . LYS 121 121 34707 1 . LEU 122 122 34707 1 . THR 123 123 34707 1 . LEU 124 124 34707 1 . LYS 125 125 34707 1 . PHE 126 126 34707 1 . ILE 127 127 34707 1 . CYS 128 128 34707 1 . THR 129 129 34707 1 . THR 130 130 34707 1 . GLY 131 131 34707 1 . LYS 132 132 34707 1 . LEU 133 133 34707 1 . PRO 134 134 34707 1 . VAL 135 135 34707 1 . PRO 136 136 34707 1 . TRP 137 137 34707 1 . PRO 138 138 34707 1 . THR 139 139 34707 1 . LEU 140 140 34707 1 . VAL 141 141 34707 1 . THR 142 142 34707 1 . THR 143 143 34707 1 . LEU 144 144 34707 1 . THR 145 145 34707 1 . TYR 146 146 34707 1 . GLY 147 147 34707 1 . VAL 148 148 34707 1 . GLN 149 149 34707 1 . CYS 150 150 34707 1 . PHE 151 151 34707 1 . SER 152 152 34707 1 . ARG 153 153 34707 1 . TYR 154 154 34707 1 . PRO 155 155 34707 1 . ASP 156 156 34707 1 . HIS 157 157 34707 1 . MET 158 158 34707 1 . LYS 159 159 34707 1 . GLN 160 160 34707 1 . HIS 161 161 34707 1 . ASP 162 162 34707 1 . PHE 163 163 34707 1 . PHE 164 164 34707 1 . LYS 165 165 34707 1 . SER 166 166 34707 1 . ALA 167 167 34707 1 . MET 168 168 34707 1 . PRO 169 169 34707 1 . GLU 170 170 34707 1 . GLY 171 171 34707 1 . TYR 172 172 34707 1 . VAL 173 173 34707 1 . GLN 174 174 34707 1 . GLU 175 175 34707 1 . ARG 176 176 34707 1 . THR 177 177 34707 1 . ILE 178 178 34707 1 . PHE 179 179 34707 1 . PHE 180 180 34707 1 . LYS 181 181 34707 1 . ASP 182 182 34707 1 . ASP 183 183 34707 1 . GLY 184 184 34707 1 . ASN 185 185 34707 1 . TYR 186 186 34707 1 . LYS 187 187 34707 1 . THR 188 188 34707 1 . ARG 189 189 34707 1 . ALA 190 190 34707 1 . GLU 191 191 34707 1 . VAL 192 192 34707 1 . LYS 193 193 34707 1 . PHE 194 194 34707 1 . GLU 195 195 34707 1 . GLY 196 196 34707 1 . ASP 197 197 34707 1 . THR 198 198 34707 1 . LEU 199 199 34707 1 . VAL 200 200 34707 1 . ASN 201 201 34707 1 . ARG 202 202 34707 1 . ILE 203 203 34707 1 . GLU 204 204 34707 1 . LEU 205 205 34707 1 . LYS 206 206 34707 1 . GLY 207 207 34707 1 . ILE 208 208 34707 1 . ASP 209 209 34707 1 . PHE 210 210 34707 1 . LYS 211 211 34707 1 . GLU 212 212 34707 1 . ASP 213 213 34707 1 . GLY 214 214 34707 1 . ASN 215 215 34707 1 . ILE 216 216 34707 1 . LEU 217 217 34707 1 . GLY 218 218 34707 1 . HIS 219 219 34707 1 . LYS 220 220 34707 1 . LEU 221 221 34707 1 . GLU 222 222 34707 1 . TYR 223 223 34707 1 . ASN 224 224 34707 1 . TYR 225 225 34707 1 . ASN 226 226 34707 1 . SER 227 227 34707 1 . HIS 228 228 34707 1 . ASN 229 229 34707 1 . VAL 230 230 34707 1 . TYR 231 231 34707 1 . ILE 232 232 34707 1 . MET 233 233 34707 1 . ALA 234 234 34707 1 . ASP 235 235 34707 1 . LYS 236 236 34707 1 . GLN 237 237 34707 1 . LYS 238 238 34707 1 . ASN 239 239 34707 1 . GLY 240 240 34707 1 . ILE 241 241 34707 1 . LYS 242 242 34707 1 . VAL 243 243 34707 1 . ASN 244 244 34707 1 . PHE 245 245 34707 1 . LYS 246 246 34707 1 . ILE 247 247 34707 1 . ARG 248 248 34707 1 . HIS 249 249 34707 1 . ASN 250 250 34707 1 . ILE 251 251 34707 1 . GLU 252 252 34707 1 . ASP 253 253 34707 1 . GLY 254 254 34707 1 . SER 255 255 34707 1 . VAL 256 256 34707 1 . GLN 257 257 34707 1 . LEU 258 258 34707 1 . ALA 259 259 34707 1 . ASP 260 260 34707 1 . HIS 261 261 34707 1 . TYR 262 262 34707 1 . GLN 263 263 34707 1 . GLN 264 264 34707 1 . ASN 265 265 34707 1 . THR 266 266 34707 1 . PRO 267 267 34707 1 . ILE 268 268 34707 1 . GLY 269 269 34707 1 . ASP 270 270 34707 1 . GLY 271 271 34707 1 . PRO 272 272 34707 1 . VAL 273 273 34707 1 . LEU 274 274 34707 1 . LEU 275 275 34707 1 . PRO 276 276 34707 1 . ASP 277 277 34707 1 . ASN 278 278 34707 1 . HIS 279 279 34707 1 . TYR 280 280 34707 1 . LEU 281 281 34707 1 . SER 282 282 34707 1 . THR 283 283 34707 1 . GLN 284 284 34707 1 . SER 285 285 34707 1 . ALA 286 286 34707 1 . LEU 287 287 34707 1 . SER 288 288 34707 1 . LYS 289 289 34707 1 . ASP 290 290 34707 1 . PRO 291 291 34707 1 . ASN 292 292 34707 1 . GLU 293 293 34707 1 . LYS 294 294 34707 1 . ARG 295 295 34707 1 . ASP 296 296 34707 1 . HIS 297 297 34707 1 . MET 298 298 34707 1 . VAL 299 299 34707 1 . LEU 300 300 34707 1 . LEU 301 301 34707 1 . GLU 302 302 34707 1 . PHE 303 303 34707 1 . VAL 304 304 34707 1 . THR 305 305 34707 1 . ALA 306 306 34707 1 . ALA 307 307 34707 1 . GLY 308 308 34707 1 . ILE 309 309 34707 1 . THR 310 310 34707 1 . LEU 311 311 34707 1 . GLY 312 312 34707 1 . MET 313 313 34707 1 . ASP 314 314 34707 1 . GLU 315 315 34707 1 . LEU 316 316 34707 1 . TYR 317 317 34707 1 . LYS 318 318 34707 1 . GLY 319 319 34707 1 . GLY 320 320 34707 1 . GLY 321 321 34707 1 . GLY 322 322 34707 1 . SER 323 323 34707 1 . LEU 324 324 34707 1 . GLU 325 325 34707 1 . VAL 326 326 34707 1 . LEU 327 327 34707 1 . PHE 328 328 34707 1 . GLN 329 329 34707 1 . GLY 330 330 34707 1 . PRO 331 331 34707 1 . ASP 332 332 34707 1 . LEU 333 333 34707 1 . PRO 334 334 34707 1 . LYS 335 335 34707 1 . LEU 336 336 34707 1 . VAL 337 337 34707 1 . LYS 338 338 34707 1 . LEU 339 339 34707 1 . LEU 340 340 34707 1 . LYS 341 341 34707 1 . SER 342 342 34707 1 . SER 343 343 34707 1 . ASN 344 344 34707 1 . GLU 345 345 34707 1 . GLU 346 346 34707 1 . ILE 347 347 34707 1 . LEU 348 348 34707 1 . LEU 349 349 34707 1 . LYS 350 350 34707 1 . ALA 351 351 34707 1 . LEU 352 352 34707 1 . ARG 353 353 34707 1 . ALA 354 354 34707 1 . LEU 355 355 34707 1 . ALA 356 356 34707 1 . GLU 357 357 34707 1 . ILE 358 358 34707 1 . ALA 359 359 34707 1 . SER 360 360 34707 1 . GLY 361 361 34707 1 . GLY 362 362 34707 1 . ASN 363 363 34707 1 . GLU 364 364 34707 1 . GLN 365 365 34707 1 . ILE 366 366 34707 1 . GLN 367 367 34707 1 . ALA 368 368 34707 1 . VAL 369 369 34707 1 . ILE 370 370 34707 1 . ASP 371 371 34707 1 . ALA 372 372 34707 1 . GLY 373 373 34707 1 . ALA 374 374 34707 1 . LEU 375 375 34707 1 . PRO 376 376 34707 1 . ALA 377 377 34707 1 . LEU 378 378 34707 1 . VAL 379 379 34707 1 . GLN 380 380 34707 1 . LEU 381 381 34707 1 . LEU 382 382 34707 1 . SER 383 383 34707 1 . SER 384 384 34707 1 . PRO 385 385 34707 1 . ASN 386 386 34707 1 . GLU 387 387 34707 1 . GLN 388 388 34707 1 . ILE 389 389 34707 1 . LEU 390 390 34707 1 . GLN 391 391 34707 1 . GLU 392 392 34707 1 . ALA 393 393 34707 1 . LEU 394 394 34707 1 . TRP 395 395 34707 1 . ALA 396 396 34707 1 . LEU 397 397 34707 1 . SER 398 398 34707 1 . ASN 399 399 34707 1 . ILE 400 400 34707 1 . ALA 401 401 34707 1 . SER 402 402 34707 1 . GLY 403 403 34707 1 . GLY 404 404 34707 1 . ASN 405 405 34707 1 . GLU 406 406 34707 1 . GLN 407 407 34707 1 . ILE 408 408 34707 1 . GLN 409 409 34707 1 . ALA 410 410 34707 1 . VAL 411 411 34707 1 . ILE 412 412 34707 1 . ASP 413 413 34707 1 . ALA 414 414 34707 1 . GLY 415 415 34707 1 . ALA 416 416 34707 1 . LEU 417 417 34707 1 . PRO 418 418 34707 1 . ALA 419 419 34707 1 . LEU 420 420 34707 1 . VAL 421 421 34707 1 . GLN 422 422 34707 1 . LEU 423 423 34707 1 . LEU 424 424 34707 1 . SER 425 425 34707 1 . SER 426 426 34707 1 . PRO 427 427 34707 1 . ASN 428 428 34707 1 . GLU 429 429 34707 1 . GLN 430 430 34707 1 . ILE 431 431 34707 1 . LEU 432 432 34707 1 . GLN 433 433 34707 1 . GLU 434 434 34707 1 . ALA 435 435 34707 1 . LEU 436 436 34707 1 . TRP 437 437 34707 1 . ALA 438 438 34707 1 . LEU 439 439 34707 1 . SER 440 440 34707 1 . ASN 441 441 34707 1 . ILE 442 442 34707 1 . ALA 443 443 34707 1 . SER 444 444 34707 1 . GLY 445 445 34707 1 . GLY 446 446 34707 1 . ASN 447 447 34707 1 . GLU 448 448 34707 1 . GLN 449 449 34707 1 . ILE 450 450 34707 1 . GLN 451 451 34707 1 . ALA 452 452 34707 1 . VAL 453 453 34707 1 . ILE 454 454 34707 1 . ASP 455 455 34707 1 . ALA 456 456 34707 1 . GLY 457 457 34707 1 . ALA 458 458 34707 1 . LEU 459 459 34707 1 . PRO 460 460 34707 1 . ALA 461 461 34707 1 . LEU 462 462 34707 1 . VAL 463 463 34707 1 . GLN 464 464 34707 1 . LEU 465 465 34707 1 . LEU 466 466 34707 1 . SER 467 467 34707 1 . SER 468 468 34707 1 . PRO 469 469 34707 1 . ASN 470 470 34707 1 . GLU 471 471 34707 1 . GLN 472 472 34707 1 . ILE 473 473 34707 1 . LEU 474 474 34707 1 . GLN 475 475 34707 1 . GLU 476 476 34707 1 . ALA 477 477 34707 1 . LEU 478 478 34707 1 . TRP 479 479 34707 1 . ALA 480 480 34707 1 . LEU 481 481 34707 1 . SER 482 482 34707 1 . ASN 483 483 34707 1 . ILE 484 484 34707 1 . ALA 485 485 34707 1 . SER 486 486 34707 1 . GLY 487 487 34707 1 . GLY 488 488 34707 1 . ASN 489 489 34707 1 . GLU 490 490 34707 1 . GLN 491 491 34707 1 . ILE 492 492 34707 1 . GLN 493 493 34707 1 . ALA 494 494 34707 1 . VAL 495 495 34707 1 . ILE 496 496 34707 1 . ASP 497 497 34707 1 . ALA 498 498 34707 1 . GLY 499 499 34707 1 . ALA 500 500 34707 1 . LEU 501 501 34707 1 . PRO 502 502 34707 1 . ALA 503 503 34707 1 . LEU 504 504 34707 1 . VAL 505 505 34707 1 . GLN 506 506 34707 1 . LEU 507 507 34707 1 . LEU 508 508 34707 1 . SER 509 509 34707 1 . SER 510 510 34707 1 . PRO 511 511 34707 1 . ASN 512 512 34707 1 . GLU 513 513 34707 1 . GLN 514 514 34707 1 . ILE 515 515 34707 1 . LEU 516 516 34707 1 . GLN 517 517 34707 1 . GLU 518 518 34707 1 . ALA 519 519 34707 1 . LEU 520 520 34707 1 . TRP 521 521 34707 1 . ALA 522 522 34707 1 . LEU 523 523 34707 1 . SER 524 524 34707 1 . ASN 525 525 34707 1 . ILE 526 526 34707 1 . ALA 527 527 34707 1 . SER 528 528 34707 1 . GLY 529 529 34707 1 . GLY 530 530 34707 1 . ASN 531 531 34707 1 . GLU 532 532 34707 1 . GLN 533 533 34707 1 . LYS 534 534 34707 1 . GLN 535 535 34707 1 . ALA 536 536 34707 1 . VAL 537 537 34707 1 . LYS 538 538 34707 1 . GLU 539 539 34707 1 . ALA 540 540 34707 1 . GLY 541 541 34707 1 . ALA 542 542 34707 1 . LEU 543 543 34707 1 . GLU 544 544 34707 1 . LYS 545 545 34707 1 . LEU 546 546 34707 1 . GLU 547 547 34707 1 . GLN 548 548 34707 1 . LEU 549 549 34707 1 . GLN 550 550 34707 1 . SER 551 551 34707 1 . HIS 552 552 34707 1 . GLU 553 553 34707 1 . ASN 554 554 34707 1 . GLU 555 555 34707 1 . LYS 556 556 34707 1 . ILE 557 557 34707 1 . GLN 558 558 34707 1 . LYS 559 559 34707 1 . GLU 560 560 34707 1 . ALA 561 561 34707 1 . GLN 562 562 34707 1 . GLU 563 563 34707 1 . ALA 564 564 34707 1 . LEU 565 565 34707 1 . GLU 566 566 34707 1 . LYS 567 567 34707 1 . LEU 568 568 34707 1 . GLN 569 569 34707 1 . SER 570 570 34707 1 . HIS 571 571 34707 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34707 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34707 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34707 _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' . . 562 Escherichia coli . . . . . . . . . . 34707 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34707 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 300 uM [U-15N] A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 1 2 TMSP none . . . . . . 2 . . mM . . . . 34707 1 3 A4M4C [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 34707 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34707 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM [U-100% 15N] A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 2 2 TMSP none . . . . . . 2 . . mM . . . . 34707 2 3 A4M4C '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 34707 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34707 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM [U-100% 15N] A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 3 2 TMSP none . . . . . . 2 . . mM . . . . 34707 3 3 A4M4C '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 34707 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34707 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM 15N-Leu A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 4 2 TMSP none . . . . . . 2 . . mM . . . . 34707 4 3 A4M4C [15N-Leu] . . 1 $entity_1 . . 150 . . uM . . . . 34707 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34707 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM [U-15N] A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 5 2 TMSP none . . . . . . 2 . . mM . . . . 34707 5 3 A4M4C [U-15N] . . 1 $entity_1 . . 150 . . uM . . . . 34707 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 34707 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM [U-15N] A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 6 2 TMSP none . . . . . . 2 . . mM . . . . 34707 6 3 A4M4C [U-15N] . . 1 $entity_1 . . 150 . . uM . . . . 34707 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 34707 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM [U-15N] A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 7 2 TMSP none . . . . . . 2 . . mM . . . . 34707 7 3 A4M4C [U-15N] . . 1 $entity_1 . . 150 . . uM . . . . 34707 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 34707 _Sample.ID 8 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM [U-15N] A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 8 2 TMSP none . . . . . . 2 . . mM . . . . 34707 8 3 A4M4C [U-15N] . . 1 $entity_1 . . 150 . . uM . . . . 34707 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 34707 _Sample.ID 9 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 2 mM TMSP, 150 uM 15N-Leu A4M4C, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' none . . . . . . 20 . . mM . . . . 34707 9 2 TMSP none . . . . . . 2 . . mM . . . . 34707 9 3 A4M4C [15N-Leu] . . 1 $entity_1 . . 150 . . uM . . . . 34707 9 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 34707 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 34707 1 pH 7.0 . pH 34707 1 pressure 1 . atm 34707 1 temperature 293 . K 34707 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34707 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34707 1 'Peter Guntert' . . 34707 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34707 1 'structure calculation' . 34707 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34707 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34707 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34707 2 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 34707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AV600 Neo' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34707 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AV600 Neo' . 600 . . . 34707 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34707 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34707 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 34707 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.8 internal direct 1.0 . . . . . 34707 1 N 15 water protons . . . . ppm 4.8 internal indirect 0.10132900 . . . . . 34707 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 34707 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 34707 1 2 '2D 1H-15N HSQC' . . . 34707 1 3 '2D 1H-15N HSQC' . . . 34707 1 4 '2D 1H-15N HSQC' . . . 34707 1 5 '2D 1H-15N HSQC' . . . 34707 1 6 '2D 1H-15N HSQC' . . . 34707 1 7 '2D 1H-15N HSQC' . . . 34707 1 8 '2D 1H-15N HSQC' . . . 34707 1 9 '2D 1H-15N HSQC' . . . 34707 1 10 '3D 1H-15N NOESY' . . . 34707 1 11 '3D 1H-15N NOESY' . . . 34707 1 12 '3D 1H-15N NOESY' . . . 34707 1 13 '3D 1H-15N NOESY' . . . 34707 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 . 1 333 333 LEU H H 1 8.629 0.002 . . . . . . A 3 LEU H . 34707 1 2 . 1 . 1 333 333 LEU N N 15 124.320 0.005 . . . . . . A 3 LEU N . 34707 1 3 . 1 . 1 335 335 LYS H H 1 7.466 0.002 . . . . . . A 5 LYS H . 34707 1 4 . 1 . 1 335 335 LYS N N 15 117.383 0.005 . . . . . . A 5 LYS N . 34707 1 5 . 1 . 1 336 336 LEU H H 1 7.905 0.002 . . . . . . A 6 LEU H . 34707 1 6 . 1 . 1 336 336 LEU N N 15 119.529 0.005 . . . . . . A 6 LEU N . 34707 1 7 . 1 . 1 337 337 VAL H H 1 8.250 0.002 . . . . . . A 7 VAL H . 34707 1 8 . 1 . 1 337 337 VAL N N 15 115.761 0.005 . . . . . . A 7 VAL N . 34707 1 9 . 1 . 1 338 338 LYS H H 1 7.667 0.002 . . . . . . A 8 LYS H . 34707 1 10 . 1 . 1 338 338 LYS N N 15 120.483 0.005 . . . . . . A 8 LYS N . 34707 1 11 . 1 . 1 339 339 LEU H H 1 7.887 0.002 . . . . . . A 9 LEU H . 34707 1 12 . 1 . 1 339 339 LEU N N 15 120.520 0.005 . . . . . . A 9 LEU N . 34707 1 13 . 1 . 1 340 340 LEU H H 1 7.536 0.002 . . . . . . A 10 LEU H . 34707 1 14 . 1 . 1 340 340 LEU N N 15 116.251 0.005 . . . . . . A 10 LEU N . 34707 1 15 . 1 . 1 341 341 LYS H H 1 7.241 0.002 . . . . . . A 11 LYS H . 34707 1 16 . 1 . 1 341 341 LYS N N 15 114.944 0.005 . . . . . . A 11 LYS N . 34707 1 17 . 1 . 1 342 342 SER H H 1 7.576 0.002 . . . . . . A 12 SER H . 34707 1 18 . 1 . 1 342 342 SER N N 15 115.364 0.005 . . . . . . A 12 SER N . 34707 1 19 . 1 . 1 345 345 GLU H H 1 9.151 0.002 . . . . . . A 15 GLU H . 34707 1 20 . 1 . 1 345 345 GLU N N 15 127.056 0.005 . . . . . . A 15 GLU N . 34707 1 21 . 1 . 1 346 346 GLU H H 1 8.177 0.002 . . . . . . A 16 GLU H . 34707 1 22 . 1 . 1 346 346 GLU N N 15 118.105 0.005 . . . . . . A 16 GLU N . 34707 1 23 . 1 . 1 347 347 ILE H H 1 7.474 0.002 . . . . . . A 17 ILE H . 34707 1 24 . 1 . 1 347 347 ILE N N 15 120.644 0.005 . . . . . . A 17 ILE N . 34707 1 25 . 1 . 1 348 348 LEU H H 1 8.774 0.002 . . . . . . A 18 LEU H . 34707 1 26 . 1 . 1 348 348 LEU N N 15 119.192 0.005 . . . . . . A 18 LEU N . 34707 1 27 . 1 . 1 349 349 LEU H H 1 8.194 0.002 . . . . . . A 19 LEU H . 34707 1 28 . 1 . 1 349 349 LEU N N 15 122.070 0.005 . . . . . . A 19 LEU N . 34707 1 29 . 1 . 1 350 350 LYS H H 1 7.565 0.002 . . . . . . A 20 LYS H . 34707 1 30 . 1 . 1 350 350 LYS N N 15 118.005 0.005 . . . . . . A 20 LYS N . 34707 1 31 . 1 . 1 351 351 ALA H H 1 8.238 0.002 . . . . . . A 21 ALA H . 34707 1 32 . 1 . 1 351 351 ALA N N 15 124.215 0.005 . . . . . . A 21 ALA N . 34707 1 33 . 1 . 1 352 352 LEU H H 1 8.784 0.002 . . . . . . A 22 LEU H . 34707 1 34 . 1 . 1 352 352 LEU N N 15 117.721 0.005 . . . . . . A 22 LEU N . 34707 1 35 . 1 . 1 353 353 ARG H H 1 8.106 0.002 . . . . . . A 23 ARG H . 34707 1 36 . 1 . 1 353 353 ARG N N 15 118.469 0.005 . . . . . . A 23 ARG N . 34707 1 37 . 1 . 1 354 354 ALA H H 1 7.786 0.002 . . . . . . A 24 ALA H . 34707 1 38 . 1 . 1 354 354 ALA N N 15 121.875 0.005 . . . . . . A 24 ALA N . 34707 1 39 . 1 . 1 355 355 LEU H H 1 8.481 0.002 . . . . . . A 25 LEU H . 34707 1 40 . 1 . 1 355 355 LEU N N 15 119.672 0.005 . . . . . . A 25 LEU N . 34707 1 41 . 1 . 1 356 356 ALA H H 1 8.671 0.002 . . . . . . A 26 ALA H . 34707 1 42 . 1 . 1 356 356 ALA N N 15 121.839 0.005 . . . . . . A 26 ALA N . 34707 1 43 . 1 . 1 357 357 GLU H H 1 7.890 0.002 . . . . . . A 27 GLU H . 34707 1 44 . 1 . 1 357 357 GLU N N 15 117.263 0.005 . . . . . . A 27 GLU N . 34707 1 45 . 1 . 1 359 359 ALA H H 1 8.239 0.002 . . . . . . A 29 ALA H . 34707 1 46 . 1 . 1 359 359 ALA N N 15 119.581 0.005 . . . . . . A 29 ALA N . 34707 1 47 . 1 . 1 360 360 SER H H 1 7.491 0.002 . . . . . . A 30 SER H . 34707 1 48 . 1 . 1 360 360 SER N N 15 111.223 0.005 . . . . . . A 30 SER N . 34707 1 49 . 1 . 1 361 361 GLY H H 1 7.918 0.002 . . . . . . A 31 GLY H . 34707 1 50 . 1 . 1 361 361 GLY N N 15 108.626 0.005 . . . . . . A 31 GLY N . 34707 1 51 . 1 . 1 362 362 GLY H H 1 7.999 0.002 . . . . . . A 32 GLY H . 34707 1 52 . 1 . 1 362 362 GLY N N 15 108.648 0.005 . . . . . . A 32 GLY N . 34707 1 53 . 1 . 1 365 365 GLN H H 1 7.791 0.002 . . . . . . A 35 GLN H . 34707 1 54 . 1 . 1 365 365 GLN N N 15 120.538 0.005 . . . . . . A 35 GLN N . 34707 1 55 . 1 . 1 366 366 ILE H H 1 8.199 0.002 . . . . . . A 36 ILE H . 34707 1 56 . 1 . 1 366 366 ILE N N 15 119.683 0.005 . . . . . . A 36 ILE N . 34707 1 57 . 1 . 1 367 367 GLN H H 1 8.198 0.002 . . . . . . A 37 GLN H . 34707 1 58 . 1 . 1 367 367 GLN N N 15 118.089 0.005 . . . . . . A 37 GLN N . 34707 1 59 . 1 . 1 368 368 ALA H H 1 7.619 0.002 . . . . . . A 38 ALA H . 34707 1 60 . 1 . 1 368 368 ALA N N 15 120.801 0.005 . . . . . . A 38 ALA N . 34707 1 61 . 1 . 1 369 369 VAL H H 1 7.815 0.002 . . . . . . A 39 VAL H . 34707 1 62 . 1 . 1 369 369 VAL N N 15 119.362 0.005 . . . . . . A 39 VAL N . 34707 1 63 . 1 . 1 370 370 ILE H H 1 7.952 0.002 . . . . . . A 40 ILE H . 34707 1 64 . 1 . 1 370 370 ILE N N 15 120.083 0.005 . . . . . . A 40 ILE N . 34707 1 65 . 1 . 1 371 371 ASP H H 1 9.498 0.002 . . . . . . A 41 ASP H . 34707 1 66 . 1 . 1 371 371 ASP N N 15 123.768 0.005 . . . . . . A 41 ASP N . 34707 1 67 . 1 . 1 372 372 ALA H H 1 7.608 0.002 . . . . . . A 42 ALA H . 34707 1 68 . 1 . 1 372 372 ALA N N 15 119.537 0.005 . . . . . . A 42 ALA N . 34707 1 69 . 1 . 1 373 373 GLY H H 1 8.133 0.002 . . . . . . A 43 GLY H . 34707 1 70 . 1 . 1 373 373 GLY N N 15 104.549 0.005 . . . . . . A 43 GLY N . 34707 1 71 . 1 . 1 374 374 ALA H H 1 7.246 0.002 . . . . . . A 44 ALA H . 34707 1 72 . 1 . 1 374 374 ALA N N 15 117.536 0.005 . . . . . . A 44 ALA N . 34707 1 73 . 1 . 1 375 375 LEU H H 1 9.285 0.002 . . . . . . A 45 LEU H . 34707 1 74 . 1 . 1 375 375 LEU N N 15 113.819 0.005 . . . . . . A 45 LEU N . 34707 1 75 . 1 . 1 377 377 ALA H H 1 6.868 0.002 . . . . . . A 47 ALA H . 34707 1 76 . 1 . 1 377 377 ALA N N 15 118.766 0.005 . . . . . . A 47 ALA N . 34707 1 77 . 1 . 1 378 378 LEU H H 1 8.191 0.002 . . . . . . A 48 LEU H . 34707 1 78 . 1 . 1 378 378 LEU N N 15 118.090 0.005 . . . . . . A 48 LEU N . 34707 1 79 . 1 . 1 379 379 VAL H H 1 8.392 0.002 . . . . . . A 49 VAL H . 34707 1 80 . 1 . 1 379 379 VAL N N 15 116.064 0.005 . . . . . . A 49 VAL N . 34707 1 81 . 1 . 1 380 380 GLN H H 1 7.791 0.002 . . . . . . A 50 GLN H . 34707 1 82 . 1 . 1 380 380 GLN N N 15 120.275 0.005 . . . . . . A 50 GLN N . 34707 1 83 . 1 . 1 381 381 LEU H H 1 7.734 0.002 . . . . . . A 51 LEU H . 34707 1 84 . 1 . 1 381 381 LEU N N 15 120.135 0.005 . . . . . . A 51 LEU N . 34707 1 85 . 1 . 1 382 382 LEU H H 1 7.545 0.002 . . . . . . A 52 LEU H . 34707 1 86 . 1 . 1 382 382 LEU N N 15 116.984 0.005 . . . . . . A 52 LEU N . 34707 1 87 . 1 . 1 383 383 SER H H 1 7.470 0.002 . . . . . . A 53 SER H . 34707 1 88 . 1 . 1 383 383 SER N N 15 111.158 0.005 . . . . . . A 53 SER N . 34707 1 89 . 1 . 1 384 384 SER H H 1 7.581 0.002 . . . . . . A 54 SER H . 34707 1 90 . 1 . 1 384 384 SER N N 15 118.350 0.005 . . . . . . A 54 SER N . 34707 1 91 . 1 . 1 386 386 ASN H H 1 8.328 0.002 . . . . . . A 56 ASN H . 34707 1 92 . 1 . 1 386 386 ASN N N 15 120.714 0.005 . . . . . . A 56 ASN N . 34707 1 93 . 1 . 1 387 387 GLU H H 1 9.061 0.002 . . . . . . A 57 GLU H . 34707 1 94 . 1 . 1 387 387 GLU N N 15 126.282 0.005 . . . . . . A 57 GLU N . 34707 1 95 . 1 . 1 388 388 GLN H H 1 8.235 0.002 . . . . . . A 58 GLN H . 34707 1 96 . 1 . 1 388 388 GLN N N 15 119.611 0.005 . . . . . . A 58 GLN N . 34707 1 97 . 1 . 1 389 389 ILE H H 1 7.357 0.002 . . . . . . A 59 ILE H . 34707 1 98 . 1 . 1 389 389 ILE N N 15 121.240 0.005 . . . . . . A 59 ILE N . 34707 1 99 . 1 . 1 390 390 LEU H H 1 8.245 0.002 . . . . . . A 60 LEU H . 34707 1 100 . 1 . 1 390 390 LEU N N 15 120.555 0.005 . . . . . . A 60 LEU N . 34707 1 101 . 1 . 1 391 391 GLN H H 1 8.048 0.002 . . . . . . A 61 GLN H . 34707 1 102 . 1 . 1 391 391 GLN N N 15 115.780 0.005 . . . . . . A 61 GLN N . 34707 1 103 . 1 . 1 392 392 GLU H H 1 7.801 0.002 . . . . . . A 62 GLU H . 34707 1 104 . 1 . 1 392 392 GLU N N 15 118.585 0.005 . . . . . . A 62 GLU N . 34707 1 105 . 1 . 1 393 393 ALA H H 1 8.984 0.002 . . . . . . A 63 ALA H . 34707 1 106 . 1 . 1 393 393 ALA N N 15 122.631 0.005 . . . . . . A 63 ALA N . 34707 1 107 . 1 . 1 394 394 LEU H H 1 8.592 0.002 . . . . . . A 64 LEU H . 34707 1 108 . 1 . 1 394 394 LEU N N 15 118.372 0.005 . . . . . . A 64 LEU N . 34707 1 109 . 1 . 1 395 395 TRP H H 1 8.304 0.002 . . . . . . A 65 TRP H . 34707 1 110 . 1 . 1 395 395 TRP N N 15 122.432 0.005 . . . . . . A 65 TRP N . 34707 1 111 . 1 . 1 396 396 ALA H H 1 8.131 0.002 . . . . . . A 66 ALA H . 34707 1 112 . 1 . 1 396 396 ALA N N 15 120.765 0.005 . . . . . . A 66 ALA N . 34707 1 113 . 1 . 1 397 397 LEU H H 1 8.512 0.002 . . . . . . A 67 LEU H . 34707 1 114 . 1 . 1 397 397 LEU N N 15 117.148 0.005 . . . . . . A 67 LEU N . 34707 1 115 . 1 . 1 398 398 SER H H 1 8.956 0.002 . . . . . . A 68 SER H . 34707 1 116 . 1 . 1 398 398 SER N N 15 115.659 0.005 . . . . . . A 68 SER N . 34707 1 117 . 1 . 1 399 399 ASN H H 1 7.746 0.002 . . . . . . A 69 ASN H . 34707 1 118 . 1 . 1 399 399 ASN N N 15 118.961 0.005 . . . . . . A 69 ASN N . 34707 1 119 . 1 . 1 400 400 ILE H H 1 7.978 0.002 . . . . . . A 70 ILE H . 34707 1 120 . 1 . 1 400 400 ILE N N 15 122.768 0.005 . . . . . . A 70 ILE N . 34707 1 121 . 1 . 1 401 401 ALA H H 1 8.125 0.002 . . . . . . A 71 ALA H . 34707 1 122 . 1 . 1 401 401 ALA N N 15 117.579 0.005 . . . . . . A 71 ALA N . 34707 1 123 . 1 . 1 402 402 SER H H 1 7.519 0.002 . . . . . . A 72 SER H . 34707 1 124 . 1 . 1 402 402 SER N N 15 112.129 0.005 . . . . . . A 72 SER N . 34707 1 125 . 1 . 1 403 403 GLY H H 1 7.714 0.002 . . . . . . A 73 GLY H . 34707 1 126 . 1 . 1 403 403 GLY N N 15 108.891 0.005 . . . . . . A 73 GLY N . 34707 1 127 . 1 . 1 404 404 GLY H H 1 7.917 0.002 . . . . . . A 74 GLY H . 34707 1 128 . 1 . 1 404 404 GLY N N 15 105.330 0.005 . . . . . . A 74 GLY N . 34707 1 129 . 1 . 1 405 405 ASN H H 1 8.910 0.002 . . . . . . A 75 ASN H . 34707 1 130 . 1 . 1 405 405 ASN N N 15 118.707 0.005 . . . . . . A 75 ASN N . 34707 1 131 . 1 . 1 406 406 GLU H H 1 9.305 0.002 . . . . . . A 76 GLU H . 34707 1 132 . 1 . 1 406 406 GLU N N 15 118.804 0.005 . . . . . . A 76 GLU N . 34707 1 133 . 1 . 1 407 407 GLN H H 1 7.522 0.002 . . . . . . A 77 GLN H . 34707 1 134 . 1 . 1 407 407 GLN N N 15 122.095 0.005 . . . . . . A 77 GLN N . 34707 1 135 . 1 . 1 408 408 ILE H H 1 8.266 0.002 . . . . . . A 78 ILE H . 34707 1 136 . 1 . 1 408 408 ILE N N 15 119.491 0.005 . . . . . . A 78 ILE N . 34707 1 137 . 1 . 1 409 409 GLN H H 1 8.391 0.002 . . . . . . A 79 GLN H . 34707 1 138 . 1 . 1 409 409 GLN N N 15 118.099 0.005 . . . . . . A 79 GLN N . 34707 1 139 . 1 . 1 410 410 ALA H H 1 7.471 0.002 . . . . . . A 80 ALA H . 34707 1 140 . 1 . 1 410 410 ALA N N 15 120.650 0.005 . . . . . . A 80 ALA N . 34707 1 141 . 1 . 1 411 411 VAL H H 1 7.648 0.002 . . . . . . A 81 VAL H . 34707 1 142 . 1 . 1 411 411 VAL N N 15 119.418 0.005 . . . . . . A 81 VAL N . 34707 1 143 . 1 . 1 412 412 ILE H H 1 7.911 0.002 . . . . . . A 82 ILE H . 34707 1 144 . 1 . 1 412 412 ILE N N 15 120.045 0.005 . . . . . . A 82 ILE N . 34707 1 145 . 1 . 1 413 413 ASP H H 1 9.474 0.002 . . . . . . A 83 ASP H . 34707 1 146 . 1 . 1 413 413 ASP N N 15 123.587 0.005 . . . . . . A 83 ASP N . 34707 1 147 . 1 . 1 414 414 ALA H H 1 7.533 0.002 . . . . . . A 84 ALA H . 34707 1 148 . 1 . 1 414 414 ALA N N 15 119.707 0.005 . . . . . . A 84 ALA N . 34707 1 149 . 1 . 1 415 415 GLY H H 1 8.127 0.002 . . . . . . A 85 GLY H . 34707 1 150 . 1 . 1 415 415 GLY N N 15 104.548 0.005 . . . . . . A 85 GLY N . 34707 1 151 . 1 . 1 416 416 ALA H H 1 7.250 0.002 . . . . . . A 86 ALA H . 34707 1 152 . 1 . 1 416 416 ALA N N 15 117.405 0.005 . . . . . . A 86 ALA N . 34707 1 153 . 1 . 1 417 417 LEU H H 1 9.366 0.002 . . . . . . A 87 LEU H . 34707 1 154 . 1 . 1 417 417 LEU N N 15 113.675 0.005 . . . . . . A 87 LEU N . 34707 1 155 . 1 . 1 419 419 ALA H H 1 6.883 0.002 . . . . . . A 89 ALA H . 34707 1 156 . 1 . 1 419 419 ALA N N 15 118.370 0.005 . . . . . . A 89 ALA N . 34707 1 157 . 1 . 1 420 420 LEU H H 1 8.243 0.002 . . . . . . A 90 LEU H . 34707 1 158 . 1 . 1 420 420 LEU N N 15 118.304 0.005 . . . . . . A 90 LEU N . 34707 1 159 . 1 . 1 421 421 VAL H H 1 8.396 0.002 . . . . . . A 91 VAL H . 34707 1 160 . 1 . 1 421 421 VAL N N 15 116.078 0.005 . . . . . . A 91 VAL N . 34707 1 161 . 1 . 1 422 422 GLN H H 1 7.973 0.002 . . . . . . A 92 GLN H . 34707 1 162 . 1 . 1 422 422 GLN N N 15 130.992 0.005 . . . . . . A 92 GLN N . 34707 1 163 . 1 . 1 423 423 LEU H H 1 7.829 0.002 . . . . . . A 93 LEU H . 34707 1 164 . 1 . 1 423 423 LEU N N 15 130.596 0.005 . . . . . . A 93 LEU N . 34707 1 165 . 1 . 1 425 425 SER H H 1 6.893 0.002 . . . . . . A 95 SER H . 34707 1 166 . 1 . 1 425 425 SER N N 15 111.734 0.005 . . . . . . A 95 SER N . 34707 1 167 . 1 . 1 428 428 ASN H H 1 8.324 0.002 . . . . . . A 98 ASN H . 34707 1 168 . 1 . 1 428 428 ASN N N 15 120.709 0.005 . . . . . . A 98 ASN N . 34707 1 169 . 1 . 1 429 429 GLU H H 1 9.003 0.002 . . . . . . A 99 GLU H . 34707 1 170 . 1 . 1 429 429 GLU N N 15 126.141 0.005 . . . . . . A 99 GLU N . 34707 1 171 . 1 . 1 430 430 GLN H H 1 8.232 0.002 . . . . . . A 100 GLN H . 34707 1 172 . 1 . 1 430 430 GLN N N 15 119.596 0.005 . . . . . . A 100 GLN N . 34707 1 173 . 1 . 1 431 431 ILE H H 1 7.389 0.002 . . . . . . A 101 ILE H . 34707 1 174 . 1 . 1 431 431 ILE N N 15 121.307 0.005 . . . . . . A 101 ILE N . 34707 1 175 . 1 . 1 432 432 LEU H H 1 8.243 0.002 . . . . . . A 102 LEU H . 34707 1 176 . 1 . 1 432 432 LEU N N 15 120.507 0.005 . . . . . . A 102 LEU N . 34707 1 177 . 1 . 1 433 433 GLN H H 1 8.038 0.002 . . . . . . A 103 GLN H . 34707 1 178 . 1 . 1 433 433 GLN N N 15 115.784 0.005 . . . . . . A 103 GLN N . 34707 1 179 . 1 . 1 434 434 GLU H H 1 7.796 0.002 . . . . . . A 104 GLU H . 34707 1 180 . 1 . 1 434 434 GLU N N 15 118.566 0.005 . . . . . . A 104 GLU N . 34707 1 181 . 1 . 1 435 435 ALA H H 1 8.916 0.002 . . . . . . A 105 ALA H . 34707 1 182 . 1 . 1 435 435 ALA N N 15 123.419 0.005 . . . . . . A 105 ALA N . 34707 1 183 . 1 . 1 436 436 LEU H H 1 8.436 0.002 . . . . . . A 106 LEU H . 34707 1 184 . 1 . 1 436 436 LEU N N 15 118.235 0.005 . . . . . . A 106 LEU N . 34707 1 185 . 1 . 1 437 437 TRP H H 1 8.300 0.002 . . . . . . A 107 TRP H . 34707 1 186 . 1 . 1 437 437 TRP N N 15 122.438 0.005 . . . . . . A 107 TRP N . 34707 1 187 . 1 . 1 438 438 ALA H H 1 8.177 0.002 . . . . . . A 108 ALA H . 34707 1 188 . 1 . 1 438 438 ALA N N 15 121.122 0.005 . . . . . . A 108 ALA N . 34707 1 189 . 1 . 1 439 439 LEU H H 1 8.427 0.002 . . . . . . A 109 LEU H . 34707 1 190 . 1 . 1 439 439 LEU N N 15 117.024 0.005 . . . . . . A 109 LEU N . 34707 1 191 . 1 . 1 440 440 SER H H 1 8.833 0.002 . . . . . . A 110 SER H . 34707 1 192 . 1 . 1 440 440 SER N N 15 115.556 0.005 . . . . . . A 110 SER N . 34707 1 193 . 1 . 1 441 441 ASN H H 1 7.902 0.002 . . . . . . A 111 ASN H . 34707 1 194 . 1 . 1 441 441 ASN N N 15 119.553 0.005 . . . . . . A 111 ASN N . 34707 1 195 . 1 . 1 442 442 ILE H H 1 8.079 0.002 . . . . . . A 112 ILE H . 34707 1 196 . 1 . 1 442 442 ILE N N 15 122.764 0.005 . . . . . . A 112 ILE N . 34707 1 197 . 1 . 1 443 443 ALA H H 1 8.134 0.002 . . . . . . A 113 ALA H . 34707 1 198 . 1 . 1 443 443 ALA N N 15 117.552 0.005 . . . . . . A 113 ALA N . 34707 1 199 . 1 . 1 444 444 SER H H 1 7.485 0.002 . . . . . . A 114 SER H . 34707 1 200 . 1 . 1 444 444 SER N N 15 112.187 0.005 . . . . . . A 114 SER N . 34707 1 201 . 1 . 1 445 445 GLY H H 1 7.706 0.002 . . . . . . A 115 GLY H . 34707 1 202 . 1 . 1 445 445 GLY N N 15 109.125 0.005 . . . . . . A 115 GLY N . 34707 1 203 . 1 . 1 446 446 GLY H H 1 7.866 0.002 . . . . . . A 116 GLY H . 34707 1 204 . 1 . 1 446 446 GLY N N 15 105.591 0.005 . . . . . . A 116 GLY N . 34707 1 205 . 1 . 1 448 448 GLU H H 1 9.305 0.002 . . . . . . A 118 GLU H . 34707 1 206 . 1 . 1 448 448 GLU N N 15 118.838 0.005 . . . . . . A 118 GLU N . 34707 1 207 . 1 . 1 449 449 GLN H H 1 7.524 0.002 . . . . . . A 119 GLN H . 34707 1 208 . 1 . 1 449 449 GLN N N 15 122.079 0.005 . . . . . . A 119 GLN N . 34707 1 209 . 1 . 1 450 450 ILE H H 1 8.259 0.002 . . . . . . A 120 ILE H . 34707 1 210 . 1 . 1 450 450 ILE N N 15 119.398 0.005 . . . . . . A 120 ILE N . 34707 1 211 . 1 . 1 451 451 GLN H H 1 8.386 0.002 . . . . . . A 121 GLN H . 34707 1 212 . 1 . 1 451 451 GLN N N 15 118.120 0.005 . . . . . . A 121 GLN N . 34707 1 213 . 1 . 1 452 452 ALA H H 1 7.469 0.002 . . . . . . A 122 ALA H . 34707 1 214 . 1 . 1 452 452 ALA N N 15 120.679 0.005 . . . . . . A 122 ALA N . 34707 1 215 . 1 . 1 453 453 VAL H H 1 7.652 0.002 . . . . . . A 123 VAL H . 34707 1 216 . 1 . 1 453 453 VAL N N 15 119.430 0.005 . . . . . . A 123 VAL N . 34707 1 217 . 1 . 1 454 454 ILE H H 1 7.935 0.002 . . . . . . A 124 ILE H . 34707 1 218 . 1 . 1 454 454 ILE N N 15 119.859 0.005 . . . . . . A 124 ILE N . 34707 1 219 . 1 . 1 455 455 ASP H H 1 9.467 0.002 . . . . . . A 125 ASP H . 34707 1 220 . 1 . 1 455 455 ASP N N 15 123.571 0.005 . . . . . . A 125 ASP N . 34707 1 221 . 1 . 1 456 456 ALA H H 1 7.533 0.002 . . . . . . A 126 ALA H . 34707 1 222 . 1 . 1 456 456 ALA N N 15 119.756 0.005 . . . . . . A 126 ALA N . 34707 1 223 . 1 . 1 457 457 GLY H H 1 8.132 0.002 . . . . . . A 127 GLY H . 34707 1 224 . 1 . 1 457 457 GLY N N 15 104.537 0.005 . . . . . . A 127 GLY N . 34707 1 225 . 1 . 1 458 458 ALA H H 1 7.129 0.002 . . . . . . A 128 ALA H . 34707 1 226 . 1 . 1 458 458 ALA N N 15 117.082 0.005 . . . . . . A 128 ALA N . 34707 1 227 . 1 . 1 459 459 LEU H H 1 9.365 0.002 . . . . . . A 129 LEU H . 34707 1 228 . 1 . 1 459 459 LEU N N 15 113.673 0.005 . . . . . . A 129 LEU N . 34707 1 229 . 1 . 1 461 461 ALA H H 1 6.867 0.002 . . . . . . A 131 ALA H . 34707 1 230 . 1 . 1 461 461 ALA N N 15 118.748 0.005 . . . . . . A 131 ALA N . 34707 1 231 . 1 . 1 462 462 LEU H H 1 8.184 0.002 . . . . . . A 132 LEU H . 34707 1 232 . 1 . 1 462 462 LEU N N 15 118.082 0.005 . . . . . . A 132 LEU N . 34707 1 233 . 1 . 1 463 463 VAL H H 1 8.394 0.002 . . . . . . A 133 VAL H . 34707 1 234 . 1 . 1 463 463 VAL N N 15 116.071 0.005 . . . . . . A 133 VAL N . 34707 1 235 . 1 . 1 464 464 GLN H H 1 7.611 0.002 . . . . . . A 134 GLN H . 34707 1 236 . 1 . 1 464 464 GLN N N 15 119.530 0.005 . . . . . . A 134 GLN N . 34707 1 237 . 1 . 1 467 467 SER H H 1 6.924 0.002 . . . . . . A 137 SER H . 34707 1 238 . 1 . 1 467 467 SER N N 15 111.523 0.005 . . . . . . A 137 SER N . 34707 1 239 . 1 . 1 468 468 SER H H 1 7.574 0.002 . . . . . . A 138 SER H . 34707 1 240 . 1 . 1 468 468 SER N N 15 118.157 0.005 . . . . . . A 138 SER N . 34707 1 241 . 1 . 1 469 469 PRO N N 15 119.568 0.005 . . . . . . A 139 PRO N . 34707 1 242 . 1 . 1 470 470 ASN H H 1 8.327 0.002 . . . . . . A 140 ASN H . 34707 1 243 . 1 . 1 470 470 ASN N N 15 120.619 0.005 . . . . . . A 140 ASN N . 34707 1 244 . 1 . 1 471 471 GLU H H 1 9.005 0.002 . . . . . . A 141 GLU H . 34707 1 245 . 1 . 1 471 471 GLU N N 15 126.096 0.005 . . . . . . A 141 GLU N . 34707 1 246 . 1 . 1 472 472 GLN H H 1 8.203 0.002 . . . . . . A 142 GLN H . 34707 1 247 . 1 . 1 472 472 GLN N N 15 119.695 0.005 . . . . . . A 142 GLN N . 34707 1 248 . 1 . 1 473 473 ILE H H 1 7.392 0.002 . . . . . . A 143 ILE H . 34707 1 249 . 1 . 1 473 473 ILE N N 15 121.314 0.005 . . . . . . A 143 ILE N . 34707 1 250 . 1 . 1 474 474 LEU H H 1 8.241 0.002 . . . . . . A 144 LEU H . 34707 1 251 . 1 . 1 474 474 LEU N N 15 120.586 0.005 . . . . . . A 144 LEU N . 34707 1 252 . 1 . 1 475 475 GLN H H 1 7.992 0.002 . . . . . . A 145 GLN H . 34707 1 253 . 1 . 1 475 475 GLN N N 15 115.737 0.005 . . . . . . A 145 GLN N . 34707 1 254 . 1 . 1 476 476 GLU H H 1 7.798 0.002 . . . . . . A 146 GLU H . 34707 1 255 . 1 . 1 476 476 GLU N N 15 118.617 0.005 . . . . . . A 146 GLU N . 34707 1 256 . 1 . 1 477 477 ALA H H 1 8.926 0.002 . . . . . . A 147 ALA H . 34707 1 257 . 1 . 1 477 477 ALA N N 15 123.406 0.005 . . . . . . A 147 ALA N . 34707 1 258 . 1 . 1 478 478 LEU H H 1 8.444 0.002 . . . . . . A 148 LEU H . 34707 1 259 . 1 . 1 478 478 LEU N N 15 118.140 0.005 . . . . . . A 148 LEU N . 34707 1 260 . 1 . 1 479 479 TRP H H 1 8.294 0.002 . . . . . . A 149 TRP H . 34707 1 261 . 1 . 1 479 479 TRP N N 15 122.425 0.005 . . . . . . A 149 TRP N . 34707 1 262 . 1 . 1 480 480 ALA H H 1 8.177 0.002 . . . . . . A 150 ALA H . 34707 1 263 . 1 . 1 480 480 ALA N N 15 121.082 0.005 . . . . . . A 150 ALA N . 34707 1 264 . 1 . 1 481 481 LEU H H 1 8.427 0.002 . . . . . . A 151 LEU H . 34707 1 265 . 1 . 1 481 481 LEU N N 15 116.941 0.005 . . . . . . A 151 LEU N . 34707 1 266 . 1 . 1 482 482 SER H H 1 8.832 0.002 . . . . . . A 152 SER H . 34707 1 267 . 1 . 1 482 482 SER N N 15 115.559 0.005 . . . . . . A 152 SER N . 34707 1 268 . 1 . 1 483 483 ASN H H 1 8.021 0.002 . . . . . . A 153 ASN H . 34707 1 269 . 1 . 1 483 483 ASN N N 15 119.062 0.005 . . . . . . A 153 ASN N . 34707 1 270 . 1 . 1 484 484 ILE H H 1 8.006 0.002 . . . . . . A 154 ILE H . 34707 1 271 . 1 . 1 484 484 ILE N N 15 122.545 0.005 . . . . . . A 154 ILE N . 34707 1 272 . 1 . 1 485 485 ALA H H 1 8.396 0.002 . . . . . . A 155 ALA H . 34707 1 273 . 1 . 1 485 485 ALA N N 15 118.112 0.005 . . . . . . A 155 ALA N . 34707 1 274 . 1 . 1 486 486 SER H H 1 7.407 0.002 . . . . . . A 156 SER H . 34707 1 275 . 1 . 1 486 486 SER N N 15 112.566 0.005 . . . . . . A 156 SER N . 34707 1 276 . 1 . 1 487 487 GLY H H 1 7.715 0.002 . . . . . . A 157 GLY H . 34707 1 277 . 1 . 1 487 487 GLY N N 15 108.907 0.005 . . . . . . A 157 GLY N . 34707 1 278 . 1 . 1 488 488 GLY H H 1 7.810 0.002 . . . . . . A 158 GLY H . 34707 1 279 . 1 . 1 488 488 GLY N N 15 105.061 0.005 . . . . . . A 158 GLY N . 34707 1 280 . 1 . 1 490 490 GLU H H 1 9.305 0.002 . . . . . . A 160 GLU H . 34707 1 281 . 1 . 1 490 490 GLU N N 15 118.826 0.005 . . . . . . A 160 GLU N . 34707 1 282 . 1 . 1 491 491 GLN H H 1 7.556 0.002 . . . . . . A 161 GLN H . 34707 1 283 . 1 . 1 491 491 GLN N N 15 122.139 0.005 . . . . . . A 161 GLN N . 34707 1 284 . 1 . 1 492 492 ILE H H 1 8.258 0.002 . . . . . . A 162 ILE H . 34707 1 285 . 1 . 1 492 492 ILE N N 15 119.340 0.005 . . . . . . A 162 ILE N . 34707 1 286 . 1 . 1 493 493 GLN H H 1 8.436 0.002 . . . . . . A 163 GLN H . 34707 1 287 . 1 . 1 493 493 GLN N N 15 118.217 0.005 . . . . . . A 163 GLN N . 34707 1 288 . 1 . 1 494 494 ALA H H 1 7.471 0.002 . . . . . . A 164 ALA H . 34707 1 289 . 1 . 1 494 494 ALA N N 15 120.693 0.005 . . . . . . A 164 ALA N . 34707 1 290 . 1 . 1 495 495 VAL H H 1 7.611 0.002 . . . . . . A 165 VAL H . 34707 1 291 . 1 . 1 495 495 VAL N N 15 119.559 0.005 . . . . . . A 165 VAL N . 34707 1 292 . 1 . 1 496 496 ILE H H 1 7.992 0.002 . . . . . . A 166 ILE H . 34707 1 293 . 1 . 1 496 496 ILE N N 15 120.195 0.005 . . . . . . A 166 ILE N . 34707 1 294 . 1 . 1 497 497 ASP H H 1 9.488 0.002 . . . . . . A 167 ASP H . 34707 1 295 . 1 . 1 497 497 ASP N N 15 123.768 0.005 . . . . . . A 167 ASP N . 34707 1 296 . 1 . 1 498 498 ALA H H 1 7.530 0.002 . . . . . . A 168 ALA H . 34707 1 297 . 1 . 1 498 498 ALA N N 15 119.757 0.005 . . . . . . A 168 ALA N . 34707 1 298 . 1 . 1 499 499 GLY H H 1 8.129 0.002 . . . . . . A 169 GLY H . 34707 1 299 . 1 . 1 499 499 GLY N N 15 104.516 0.005 . . . . . . A 169 GLY N . 34707 1 300 . 1 . 1 500 500 ALA H H 1 7.118 0.002 . . . . . . A 170 ALA H . 34707 1 301 . 1 . 1 500 500 ALA N N 15 116.962 0.005 . . . . . . A 170 ALA N . 34707 1 302 . 1 . 1 501 501 LEU H H 1 9.390 0.002 . . . . . . A 171 LEU H . 34707 1 303 . 1 . 1 501 501 LEU N N 15 113.290 0.005 . . . . . . A 171 LEU N . 34707 1 304 . 1 . 1 503 503 ALA H H 1 6.810 0.002 . . . . . . A 173 ALA H . 34707 1 305 . 1 . 1 503 503 ALA N N 15 118.639 0.005 . . . . . . A 173 ALA N . 34707 1 306 . 1 . 1 504 504 LEU H H 1 8.178 0.002 . . . . . . A 174 LEU H . 34707 1 307 . 1 . 1 504 504 LEU N N 15 118.023 0.005 . . . . . . A 174 LEU N . 34707 1 308 . 1 . 1 505 505 VAL H H 1 8.432 0.002 . . . . . . A 175 VAL H . 34707 1 309 . 1 . 1 505 505 VAL N N 15 116.043 0.005 . . . . . . A 175 VAL N . 34707 1 310 . 1 . 1 506 506 GLN H H 1 7.794 0.002 . . . . . . A 176 GLN H . 34707 1 311 . 1 . 1 506 506 GLN N N 15 120.263 0.005 . . . . . . A 176 GLN N . 34707 1 312 . 1 . 1 507 507 LEU H H 1 7.798 0.002 . . . . . . A 177 LEU H . 34707 1 313 . 1 . 1 507 507 LEU N N 15 120.156 0.005 . . . . . . A 177 LEU N . 34707 1 314 . 1 . 1 508 508 LEU H H 1 7.549 0.002 . . . . . . A 178 LEU H . 34707 1 315 . 1 . 1 508 508 LEU N N 15 116.978 0.005 . . . . . . A 178 LEU N . 34707 1 316 . 1 . 1 509 509 SER H H 1 7.473 0.002 . . . . . . A 179 SER H . 34707 1 317 . 1 . 1 509 509 SER N N 15 111.224 0.005 . . . . . . A 179 SER N . 34707 1 318 . 1 . 1 510 510 SER H H 1 7.647 0.002 . . . . . . A 180 SER H . 34707 1 319 . 1 . 1 510 510 SER N N 15 118.334 0.005 . . . . . . A 180 SER N . 34707 1 320 . 1 . 1 512 512 ASN H H 1 8.330 0.002 . . . . . . A 182 ASN H . 34707 1 321 . 1 . 1 512 512 ASN N N 15 120.693 0.005 . . . . . . A 182 ASN N . 34707 1 322 . 1 . 1 513 513 GLU H H 1 9.062 0.002 . . . . . . A 183 GLU H . 34707 1 323 . 1 . 1 513 513 GLU N N 15 126.278 0.005 . . . . . . A 183 GLU N . 34707 1 324 . 1 . 1 514 514 GLN H H 1 8.242 0.002 . . . . . . A 184 GLN H . 34707 1 325 . 1 . 1 514 514 GLN N N 15 119.589 0.005 . . . . . . A 184 GLN N . 34707 1 326 . 1 . 1 515 515 ILE H H 1 7.371 0.002 . . . . . . A 185 ILE H . 34707 1 327 . 1 . 1 515 515 ILE N N 15 121.223 0.005 . . . . . . A 185 ILE N . 34707 1 328 . 1 . 1 516 516 LEU H H 1 8.240 0.002 . . . . . . A 186 LEU H . 34707 1 329 . 1 . 1 516 516 LEU N N 15 120.548 0.005 . . . . . . A 186 LEU N . 34707 1 330 . 1 . 1 517 517 GLN H H 1 7.900 0.002 . . . . . . A 187 GLN H . 34707 1 331 . 1 . 1 517 517 GLN N N 15 115.661 0.005 . . . . . . A 187 GLN N . 34707 1 332 . 1 . 1 518 518 GLU H H 1 7.789 0.002 . . . . . . A 188 GLU H . 34707 1 333 . 1 . 1 518 518 GLU N N 15 118.578 0.005 . . . . . . A 188 GLU N . 34707 1 334 . 1 . 1 519 519 ALA H H 1 8.898 0.002 . . . . . . A 189 ALA H . 34707 1 335 . 1 . 1 519 519 ALA N N 15 123.534 0.005 . . . . . . A 189 ALA N . 34707 1 336 . 1 . 1 520 520 LEU H H 1 8.405 0.002 . . . . . . A 190 LEU H . 34707 1 337 . 1 . 1 520 520 LEU N N 15 119.129 0.005 . . . . . . A 190 LEU N . 34707 1 338 . 1 . 1 521 521 TRP H H 1 8.359 0.002 . . . . . . A 191 TRP H . 34707 1 339 . 1 . 1 521 521 TRP N N 15 121.595 0.005 . . . . . . A 191 TRP N . 34707 1 340 . 1 . 1 522 522 ALA H H 1 8.176 0.002 . . . . . . A 192 ALA H . 34707 1 341 . 1 . 1 522 522 ALA N N 15 121.048 0.005 . . . . . . A 192 ALA N . 34707 1 342 . 1 . 1 523 523 LEU H H 1 8.426 0.002 . . . . . . A 193 LEU H . 34707 1 343 . 1 . 1 523 523 LEU N N 15 116.959 0.005 . . . . . . A 193 LEU N . 34707 1 344 . 1 . 1 524 524 SER H H 1 8.853 0.002 . . . . . . A 194 SER H . 34707 1 345 . 1 . 1 524 524 SER N N 15 114.986 0.005 . . . . . . A 194 SER N . 34707 1 346 . 1 . 1 525 525 ASN H H 1 7.905 0.002 . . . . . . A 195 ASN H . 34707 1 347 . 1 . 1 525 525 ASN N N 15 119.456 0.005 . . . . . . A 195 ASN N . 34707 1 348 . 1 . 1 526 526 ILE H H 1 8.045 0.002 . . . . . . A 196 ILE H . 34707 1 349 . 1 . 1 526 526 ILE N N 15 123.151 0.005 . . . . . . A 196 ILE N . 34707 1 350 . 1 . 1 527 527 ALA H H 1 8.130 0.002 . . . . . . A 197 ALA H . 34707 1 351 . 1 . 1 527 527 ALA N N 15 117.573 0.005 . . . . . . A 197 ALA N . 34707 1 352 . 1 . 1 528 528 SER H H 1 7.522 0.002 . . . . . . A 198 SER H . 34707 1 353 . 1 . 1 528 528 SER N N 15 112.144 0.005 . . . . . . A 198 SER N . 34707 1 354 . 1 . 1 529 529 GLY H H 1 8.009 0.002 . . . . . . A 199 GLY H . 34707 1 355 . 1 . 1 529 529 GLY N N 15 108.745 0.005 . . . . . . A 199 GLY N . 34707 1 356 . 1 . 1 530 530 GLY H H 1 7.939 0.002 . . . . . . A 200 GLY H . 34707 1 357 . 1 . 1 530 530 GLY N N 15 104.467 0.005 . . . . . . A 200 GLY N . 34707 1 358 . 1 . 1 531 531 ASN H H 1 8.775 0.002 . . . . . . A 201 ASN H . 34707 1 359 . 1 . 1 531 531 ASN N N 15 119.199 0.005 . . . . . . A 201 ASN N . 34707 1 360 . 1 . 1 532 532 GLU H H 1 9.491 0.002 . . . . . . A 202 GLU H . 34707 1 361 . 1 . 1 532 532 GLU N N 15 119.002 0.005 . . . . . . A 202 GLU N . 34707 1 362 . 1 . 1 533 533 GLN H H 1 7.416 0.002 . . . . . . A 203 GLN H . 34707 1 363 . 1 . 1 533 533 GLN N N 15 121.454 0.005 . . . . . . A 203 GLN N . 34707 1 364 . 1 . 1 534 534 LYS H H 1 8.368 0.002 . . . . . . A 204 LYS H . 34707 1 365 . 1 . 1 534 534 LYS N N 15 118.408 0.005 . . . . . . A 204 LYS N . 34707 1 366 . 1 . 1 535 535 GLN H H 1 8.408 0.002 . . . . . . A 205 GLN H . 34707 1 367 . 1 . 1 535 535 GLN N N 15 118.008 0.005 . . . . . . A 205 GLN N . 34707 1 368 . 1 . 1 536 536 ALA H H 1 7.480 0.002 . . . . . . A 206 ALA H . 34707 1 369 . 1 . 1 536 536 ALA N N 15 121.550 0.005 . . . . . . A 206 ALA N . 34707 1 370 . 1 . 1 537 537 VAL H H 1 7.596 0.002 . . . . . . A 207 VAL H . 34707 1 371 . 1 . 1 537 537 VAL N N 15 118.760 0.005 . . . . . . A 207 VAL N . 34707 1 372 . 1 . 1 538 538 LYS H H 1 7.911 0.002 . . . . . . A 208 LYS H . 34707 1 373 . 1 . 1 538 538 LYS N N 15 118.944 0.005 . . . . . . A 208 LYS N . 34707 1 374 . 1 . 1 539 539 GLU H H 1 8.856 0.002 . . . . . . A 209 GLU H . 34707 1 375 . 1 . 1 539 539 GLU N N 15 121.396 0.005 . . . . . . A 209 GLU N . 34707 1 376 . 1 . 1 540 540 ALA H H 1 7.436 0.002 . . . . . . A 210 ALA H . 34707 1 377 . 1 . 1 540 540 ALA N N 15 118.952 0.005 . . . . . . A 210 ALA N . 34707 1 378 . 1 . 1 541 541 GLY H H 1 7.828 0.002 . . . . . . A 211 GLY H . 34707 1 379 . 1 . 1 541 541 GLY N N 15 104.112 0.005 . . . . . . A 211 GLY N . 34707 1 380 . 1 . 1 542 542 ALA H H 1 7.083 0.002 . . . . . . A 212 ALA H . 34707 1 381 . 1 . 1 542 542 ALA N N 15 117.065 0.005 . . . . . . A 212 ALA N . 34707 1 382 . 1 . 1 543 543 LEU H H 1 8.990 0.002 . . . . . . A 213 LEU H . 34707 1 383 . 1 . 1 543 543 LEU N N 15 116.393 0.005 . . . . . . A 213 LEU N . 34707 1 384 . 1 . 1 544 544 GLU H H 1 8.374 0.002 . . . . . . A 214 GLU H . 34707 1 385 . 1 . 1 544 544 GLU N N 15 116.845 0.005 . . . . . . A 214 GLU N . 34707 1 386 . 1 . 1 545 545 LYS H H 1 6.830 0.002 . . . . . . A 215 LYS H . 34707 1 387 . 1 . 1 545 545 LYS N N 15 115.723 0.005 . . . . . . A 215 LYS N . 34707 1 388 . 1 . 1 546 546 LEU H H 1 8.468 0.002 . . . . . . A 216 LEU H . 34707 1 389 . 1 . 1 546 546 LEU N N 15 119.972 0.005 . . . . . . A 216 LEU N . 34707 1 390 . 1 . 1 547 547 GLU H H 1 8.377 0.002 . . . . . . A 217 GLU H . 34707 1 391 . 1 . 1 547 547 GLU N N 15 117.276 0.005 . . . . . . A 217 GLU N . 34707 1 392 . 1 . 1 548 548 GLN H H 1 7.437 0.002 . . . . . . A 218 GLN H . 34707 1 393 . 1 . 1 548 548 GLN N N 15 118.905 0.005 . . . . . . A 218 GLN N . 34707 1 394 . 1 . 1 549 549 LEU H H 1 7.918 0.002 . . . . . . A 219 LEU H . 34707 1 395 . 1 . 1 549 549 LEU N N 15 119.894 0.005 . . . . . . A 219 LEU N . 34707 1 396 . 1 . 1 550 550 GLN H H 1 7.495 0.002 . . . . . . A 220 GLN H . 34707 1 397 . 1 . 1 550 550 GLN N N 15 116.452 0.005 . . . . . . A 220 GLN N . 34707 1 398 . 1 . 1 551 551 SER H H 1 7.593 0.002 . . . . . . A 221 SER H . 34707 1 399 . 1 . 1 551 551 SER N N 15 110.710 0.005 . . . . . . A 221 SER N . 34707 1 400 . 1 . 1 552 552 HIS H H 1 7.637 0.002 . . . . . . A 222 HIS H . 34707 1 401 . 1 . 1 552 552 HIS N N 15 124.475 0.005 . . . . . . A 222 HIS N . 34707 1 402 . 1 . 1 553 553 GLU H H 1 8.046 0.002 . . . . . . A 223 GLU H . 34707 1 403 . 1 . 1 553 553 GLU N N 15 124.159 0.005 . . . . . . A 223 GLU N . 34707 1 404 . 1 . 1 554 554 ASN H H 1 11.693 0.002 . . . . . . A 224 ASN H . 34707 1 405 . 1 . 1 554 554 ASN N N 15 124.865 0.005 . . . . . . A 224 ASN N . 34707 1 406 . 1 . 1 555 555 GLU H H 1 9.105 0.002 . . . . . . A 225 GLU H . 34707 1 407 . 1 . 1 555 555 GLU N N 15 127.924 0.005 . . . . . . A 225 GLU N . 34707 1 408 . 1 . 1 556 556 LYS H H 1 8.211 0.002 . . . . . . A 226 LYS H . 34707 1 409 . 1 . 1 556 556 LYS N N 15 119.663 0.005 . . . . . . A 226 LYS N . 34707 1 410 . 1 . 1 557 557 ILE H H 1 7.233 0.002 . . . . . . A 227 ILE H . 34707 1 411 . 1 . 1 557 557 ILE N N 15 120.436 0.005 . . . . . . A 227 ILE N . 34707 1 412 . 1 . 1 558 558 GLN H H 1 8.107 0.002 . . . . . . A 228 GLN H . 34707 1 413 . 1 . 1 558 558 GLN N N 15 118.492 0.005 . . . . . . A 228 GLN N . 34707 1 414 . 1 . 1 559 559 LYS H H 1 7.785 0.002 . . . . . . A 229 LYS H . 34707 1 415 . 1 . 1 559 559 LYS N N 15 117.688 0.005 . . . . . . A 229 LYS N . 34707 1 416 . 1 . 1 560 560 GLU H H 1 8.065 0.002 . . . . . . A 230 GLU H . 34707 1 417 . 1 . 1 560 560 GLU N N 15 119.406 0.005 . . . . . . A 230 GLU N . 34707 1 418 . 1 . 1 561 561 ALA H H 1 8.987 0.002 . . . . . . A 231 ALA H . 34707 1 419 . 1 . 1 561 561 ALA N N 15 122.619 0.005 . . . . . . A 231 ALA N . 34707 1 420 . 1 . 1 562 562 GLN H H 1 8.366 0.002 . . . . . . A 232 GLN H . 34707 1 421 . 1 . 1 562 562 GLN N N 15 118.254 0.005 . . . . . . A 232 GLN N . 34707 1 422 . 1 . 1 563 563 GLU H H 1 8.203 0.002 . . . . . . A 233 GLU H . 34707 1 423 . 1 . 1 563 563 GLU N N 15 119.657 0.005 . . . . . . A 233 GLU N . 34707 1 424 . 1 . 1 564 564 ALA H H 1 8.195 0.002 . . . . . . A 234 ALA H . 34707 1 425 . 1 . 1 564 564 ALA N N 15 122.104 0.005 . . . . . . A 234 ALA N . 34707 1 426 . 1 . 1 565 565 LEU H H 1 8.363 0.002 . . . . . . A 235 LEU H . 34707 1 427 . 1 . 1 565 565 LEU N N 15 118.190 0.005 . . . . . . A 235 LEU N . 34707 1 428 . 1 . 1 566 566 GLU H H 1 8.069 0.002 . . . . . . A 236 GLU H . 34707 1 429 . 1 . 1 566 566 GLU N N 15 118.871 0.005 . . . . . . A 236 GLU N . 34707 1 430 . 1 . 1 567 567 LYS H H 1 7.796 0.002 . . . . . . A 237 LYS H . 34707 1 431 . 1 . 1 567 567 LYS N N 15 118.778 0.005 . . . . . . A 237 LYS N . 34707 1 432 . 1 . 1 568 568 LEU H H 1 7.819 0.002 . . . . . . A 238 LEU H . 34707 1 433 . 1 . 1 568 568 LEU N N 15 117.178 0.005 . . . . . . A 238 LEU N . 34707 1 434 . 1 . 1 569 569 GLN H H 1 7.698 0.002 . . . . . . A 239 GLN H . 34707 1 435 . 1 . 1 569 569 GLN N N 15 116.396 0.005 . . . . . . A 239 GLN N . 34707 1 stop_ save_