data_27242 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27242 _Entry.Title ; Trigger Factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-01 _Entry.Accession_date 2017-09-01 _Entry.Last_release_date 2017-09-01 _Entry.Original_release_date 2017-09-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Leonor Morgado . . . . 27242 2 Bjoern Burmann . . . . 27242 3 Sebastian Hiller . . . . 27242 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27242 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 201 27242 '15N chemical shifts' 182 27242 '1H chemical shifts' 181 27242 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 . . 2018-01-18 2017-09-01 update BMRB 'update entry citation' 27242 1 . . 2017-11-20 2017-09-01 original author 'original release' 27242 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27239 'Trigger factor: RBD; SBD; PPD; RBD-SBD; SBD-PPD' 27242 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27242 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-017-02196-7 _Citation.PubMed_ID 29222465 _Citation.Full_citation . _Citation.Title ; The dynamic dimer structure of the chaperone Trigger Factor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1992 _Citation.Page_last 1992 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Leonor Morgado . . . . 27242 1 2 Bjoern Burmann . M. . . 27242 1 3 Timothy Sharpe . . . . 27242 1 4 Adam Mazur . . . . 27242 1 5 Sebastian Hiller . . . . 27242 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27242 _Assembly.ID 1 _Assembly.Name 'Trigger factor' _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 TF 1 $TF A . yes native no no . . . 27242 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TF _Entity.Sf_category entity _Entity.Sf_framecode TF _Entity.Entry_ID 27242 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQVSVETTQGLGRRVTITIA ADSIETAVKSELVNVAKKVR IDGFRKGKVPMNIVAQRYGA SVRQDVLGDLMSRNFIDAII KEKINPAGAPTYVPGEYKLG EDFTYSVEFEVYPEVELQGL EAIEVEKPIVEVTDADVDGM LDTLRKQQATWKEKDGAVEA EDRVTIDFTGSVDGEEFEGG KASDFVLAMGQGRMIPGFED GIKGHKAGEEFTIDVTFPEE YHAENLKGKAAKFAINLKKV EERELPELTAEFIKRFGVED GSVEGLRAEVRKNMERELKS AIRNRVKSQAIEGLVKANDI DVPAALIDSEIDVLRRQAAQ RFGGNEKQALELPRELFEEQ AKRRVVVGLLLGEVIRTNEL KADEERVKGLIEEMASAYED PKEVIEFYSKNKELMDNMRN VALEEQAVEAVLAKAKVTEK ETTFNELMNQQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 432 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27242 1 2 . GLN . 27242 1 3 . VAL . 27242 1 4 . SER . 27242 1 5 . VAL . 27242 1 6 . GLU . 27242 1 7 . THR . 27242 1 8 . THR . 27242 1 9 . GLN . 27242 1 10 . GLY . 27242 1 11 . LEU . 27242 1 12 . GLY . 27242 1 13 . ARG . 27242 1 14 . ARG . 27242 1 15 . VAL . 27242 1 16 . THR . 27242 1 17 . ILE . 27242 1 18 . THR . 27242 1 19 . ILE . 27242 1 20 . ALA . 27242 1 21 . ALA . 27242 1 22 . ASP . 27242 1 23 . SER . 27242 1 24 . ILE . 27242 1 25 . GLU . 27242 1 26 . THR . 27242 1 27 . ALA . 27242 1 28 . VAL . 27242 1 29 . LYS . 27242 1 30 . SER . 27242 1 31 . GLU . 27242 1 32 . LEU . 27242 1 33 . VAL . 27242 1 34 . ASN . 27242 1 35 . VAL . 27242 1 36 . ALA . 27242 1 37 . LYS . 27242 1 38 . LYS . 27242 1 39 . VAL . 27242 1 40 . ARG . 27242 1 41 . ILE . 27242 1 42 . ASP . 27242 1 43 . GLY . 27242 1 44 . PHE . 27242 1 45 . ARG . 27242 1 46 . LYS . 27242 1 47 . GLY . 27242 1 48 . LYS . 27242 1 49 . VAL . 27242 1 50 . PRO . 27242 1 51 . MET . 27242 1 52 . ASN . 27242 1 53 . ILE . 27242 1 54 . VAL . 27242 1 55 . ALA . 27242 1 56 . GLN . 27242 1 57 . ARG . 27242 1 58 . TYR . 27242 1 59 . GLY . 27242 1 60 . ALA . 27242 1 61 . SER . 27242 1 62 . VAL . 27242 1 63 . ARG . 27242 1 64 . GLN . 27242 1 65 . ASP . 27242 1 66 . VAL . 27242 1 67 . LEU . 27242 1 68 . GLY . 27242 1 69 . ASP . 27242 1 70 . LEU . 27242 1 71 . MET . 27242 1 72 . SER . 27242 1 73 . ARG . 27242 1 74 . ASN . 27242 1 75 . PHE . 27242 1 76 . ILE . 27242 1 77 . ASP . 27242 1 78 . ALA . 27242 1 79 . ILE . 27242 1 80 . ILE . 27242 1 81 . LYS . 27242 1 82 . GLU . 27242 1 83 . LYS . 27242 1 84 . ILE . 27242 1 85 . ASN . 27242 1 86 . PRO . 27242 1 87 . ALA . 27242 1 88 . GLY . 27242 1 89 . ALA . 27242 1 90 . PRO . 27242 1 91 . THR . 27242 1 92 . TYR . 27242 1 93 . VAL . 27242 1 94 . PRO . 27242 1 95 . GLY . 27242 1 96 . GLU . 27242 1 97 . TYR . 27242 1 98 . LYS . 27242 1 99 . LEU . 27242 1 100 . GLY . 27242 1 101 . GLU . 27242 1 102 . ASP . 27242 1 103 . PHE . 27242 1 104 . THR . 27242 1 105 . TYR . 27242 1 106 . SER . 27242 1 107 . VAL . 27242 1 108 . GLU . 27242 1 109 . PHE . 27242 1 110 . GLU . 27242 1 111 . VAL . 27242 1 112 . TYR . 27242 1 113 . PRO . 27242 1 114 . GLU . 27242 1 115 . VAL . 27242 1 116 . GLU . 27242 1 117 . LEU . 27242 1 118 . GLN . 27242 1 119 . GLY . 27242 1 120 . LEU . 27242 1 121 . GLU . 27242 1 122 . ALA . 27242 1 123 . ILE . 27242 1 124 . GLU . 27242 1 125 . VAL . 27242 1 126 . GLU . 27242 1 127 . LYS . 27242 1 128 . PRO . 27242 1 129 . ILE . 27242 1 130 . VAL . 27242 1 131 . GLU . 27242 1 132 . VAL . 27242 1 133 . THR . 27242 1 134 . ASP . 27242 1 135 . ALA . 27242 1 136 . ASP . 27242 1 137 . VAL . 27242 1 138 . ASP . 27242 1 139 . GLY . 27242 1 140 . MET . 27242 1 141 . LEU . 27242 1 142 . ASP . 27242 1 143 . THR . 27242 1 144 . LEU . 27242 1 145 . ARG . 27242 1 146 . LYS . 27242 1 147 . GLN . 27242 1 148 . GLN . 27242 1 149 . ALA . 27242 1 150 . THR . 27242 1 151 . TRP . 27242 1 152 . LYS . 27242 1 153 . GLU . 27242 1 154 . LYS . 27242 1 155 . ASP . 27242 1 156 . GLY . 27242 1 157 . ALA . 27242 1 158 . VAL . 27242 1 159 . GLU . 27242 1 160 . ALA . 27242 1 161 . GLU . 27242 1 162 . ASP . 27242 1 163 . ARG . 27242 1 164 . VAL . 27242 1 165 . THR . 27242 1 166 . ILE . 27242 1 167 . ASP . 27242 1 168 . PHE . 27242 1 169 . THR . 27242 1 170 . GLY . 27242 1 171 . SER . 27242 1 172 . VAL . 27242 1 173 . ASP . 27242 1 174 . GLY . 27242 1 175 . GLU . 27242 1 176 . GLU . 27242 1 177 . PHE . 27242 1 178 . GLU . 27242 1 179 . GLY . 27242 1 180 . GLY . 27242 1 181 . LYS . 27242 1 182 . ALA . 27242 1 183 . SER . 27242 1 184 . ASP . 27242 1 185 . PHE . 27242 1 186 . VAL . 27242 1 187 . LEU . 27242 1 188 . ALA . 27242 1 189 . MET . 27242 1 190 . GLY . 27242 1 191 . GLN . 27242 1 192 . GLY . 27242 1 193 . ARG . 27242 1 194 . MET . 27242 1 195 . ILE . 27242 1 196 . PRO . 27242 1 197 . GLY . 27242 1 198 . PHE . 27242 1 199 . GLU . 27242 1 200 . ASP . 27242 1 201 . GLY . 27242 1 202 . ILE . 27242 1 203 . LYS . 27242 1 204 . GLY . 27242 1 205 . HIS . 27242 1 206 . LYS . 27242 1 207 . ALA . 27242 1 208 . GLY . 27242 1 209 . GLU . 27242 1 210 . GLU . 27242 1 211 . PHE . 27242 1 212 . THR . 27242 1 213 . ILE . 27242 1 214 . ASP . 27242 1 215 . VAL . 27242 1 216 . THR . 27242 1 217 . PHE . 27242 1 218 . PRO . 27242 1 219 . GLU . 27242 1 220 . GLU . 27242 1 221 . TYR . 27242 1 222 . HIS . 27242 1 223 . ALA . 27242 1 224 . GLU . 27242 1 225 . ASN . 27242 1 226 . LEU . 27242 1 227 . LYS . 27242 1 228 . GLY . 27242 1 229 . LYS . 27242 1 230 . ALA . 27242 1 231 . ALA . 27242 1 232 . LYS . 27242 1 233 . PHE . 27242 1 234 . ALA . 27242 1 235 . ILE . 27242 1 236 . ASN . 27242 1 237 . LEU . 27242 1 238 . LYS . 27242 1 239 . LYS . 27242 1 240 . VAL . 27242 1 241 . GLU . 27242 1 242 . GLU . 27242 1 243 . ARG . 27242 1 244 . GLU . 27242 1 245 . LEU . 27242 1 246 . PRO . 27242 1 247 . GLU . 27242 1 248 . LEU . 27242 1 249 . THR . 27242 1 250 . ALA . 27242 1 251 . GLU . 27242 1 252 . PHE . 27242 1 253 . ILE . 27242 1 254 . LYS . 27242 1 255 . ARG . 27242 1 256 . PHE . 27242 1 257 . GLY . 27242 1 258 . VAL . 27242 1 259 . GLU . 27242 1 260 . ASP . 27242 1 261 . GLY . 27242 1 262 . SER . 27242 1 263 . VAL . 27242 1 264 . GLU . 27242 1 265 . GLY . 27242 1 266 . LEU . 27242 1 267 . ARG . 27242 1 268 . ALA . 27242 1 269 . GLU . 27242 1 270 . VAL . 27242 1 271 . ARG . 27242 1 272 . LYS . 27242 1 273 . ASN . 27242 1 274 . MET . 27242 1 275 . GLU . 27242 1 276 . ARG . 27242 1 277 . GLU . 27242 1 278 . LEU . 27242 1 279 . LYS . 27242 1 280 . SER . 27242 1 281 . ALA . 27242 1 282 . ILE . 27242 1 283 . ARG . 27242 1 284 . ASN . 27242 1 285 . ARG . 27242 1 286 . VAL . 27242 1 287 . LYS . 27242 1 288 . SER . 27242 1 289 . GLN . 27242 1 290 . ALA . 27242 1 291 . ILE . 27242 1 292 . GLU . 27242 1 293 . GLY . 27242 1 294 . LEU . 27242 1 295 . VAL . 27242 1 296 . LYS . 27242 1 297 . ALA . 27242 1 298 . ASN . 27242 1 299 . ASP . 27242 1 300 . ILE . 27242 1 301 . ASP . 27242 1 302 . VAL . 27242 1 303 . PRO . 27242 1 304 . ALA . 27242 1 305 . ALA . 27242 1 306 . LEU . 27242 1 307 . ILE . 27242 1 308 . ASP . 27242 1 309 . SER . 27242 1 310 . GLU . 27242 1 311 . ILE . 27242 1 312 . ASP . 27242 1 313 . VAL . 27242 1 314 . LEU . 27242 1 315 . ARG . 27242 1 316 . ARG . 27242 1 317 . GLN . 27242 1 318 . ALA . 27242 1 319 . ALA . 27242 1 320 . GLN . 27242 1 321 . ARG . 27242 1 322 . PHE . 27242 1 323 . GLY . 27242 1 324 . GLY . 27242 1 325 . ASN . 27242 1 326 . GLU . 27242 1 327 . LYS . 27242 1 328 . GLN . 27242 1 329 . ALA . 27242 1 330 . LEU . 27242 1 331 . GLU . 27242 1 332 . LEU . 27242 1 333 . PRO . 27242 1 334 . ARG . 27242 1 335 . GLU . 27242 1 336 . LEU . 27242 1 337 . PHE . 27242 1 338 . GLU . 27242 1 339 . GLU . 27242 1 340 . GLN . 27242 1 341 . ALA . 27242 1 342 . LYS . 27242 1 343 . ARG . 27242 1 344 . ARG . 27242 1 345 . VAL . 27242 1 346 . VAL . 27242 1 347 . VAL . 27242 1 348 . GLY . 27242 1 349 . LEU . 27242 1 350 . LEU . 27242 1 351 . LEU . 27242 1 352 . GLY . 27242 1 353 . GLU . 27242 1 354 . VAL . 27242 1 355 . ILE . 27242 1 356 . ARG . 27242 1 357 . THR . 27242 1 358 . ASN . 27242 1 359 . GLU . 27242 1 360 . LEU . 27242 1 361 . LYS . 27242 1 362 . ALA . 27242 1 363 . ASP . 27242 1 364 . GLU . 27242 1 365 . GLU . 27242 1 366 . ARG . 27242 1 367 . VAL . 27242 1 368 . LYS . 27242 1 369 . GLY . 27242 1 370 . LEU . 27242 1 371 . ILE . 27242 1 372 . GLU . 27242 1 373 . GLU . 27242 1 374 . MET . 27242 1 375 . ALA . 27242 1 376 . SER . 27242 1 377 . ALA . 27242 1 378 . TYR . 27242 1 379 . GLU . 27242 1 380 . ASP . 27242 1 381 . PRO . 27242 1 382 . LYS . 27242 1 383 . GLU . 27242 1 384 . VAL . 27242 1 385 . ILE . 27242 1 386 . GLU . 27242 1 387 . PHE . 27242 1 388 . TYR . 27242 1 389 . SER . 27242 1 390 . LYS . 27242 1 391 . ASN . 27242 1 392 . LYS . 27242 1 393 . GLU . 27242 1 394 . LEU . 27242 1 395 . MET . 27242 1 396 . ASP . 27242 1 397 . ASN . 27242 1 398 . MET . 27242 1 399 . ARG . 27242 1 400 . ASN . 27242 1 401 . VAL . 27242 1 402 . ALA . 27242 1 403 . LEU . 27242 1 404 . GLU . 27242 1 405 . GLU . 27242 1 406 . GLN . 27242 1 407 . ALA . 27242 1 408 . VAL . 27242 1 409 . GLU . 27242 1 410 . ALA . 27242 1 411 . VAL . 27242 1 412 . LEU . 27242 1 413 . ALA . 27242 1 414 . LYS . 27242 1 415 . ALA . 27242 1 416 . LYS . 27242 1 417 . VAL . 27242 1 418 . THR . 27242 1 419 . GLU . 27242 1 420 . LYS . 27242 1 421 . GLU . 27242 1 422 . THR . 27242 1 423 . THR . 27242 1 424 . PHE . 27242 1 425 . ASN . 27242 1 426 . GLU . 27242 1 427 . LEU . 27242 1 428 . MET . 27242 1 429 . ASN . 27242 1 430 . GLN . 27242 1 431 . GLN . 27242 1 432 . ALA . 27242 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 27242 1 . GLN 2 2 27242 1 . VAL 3 3 27242 1 . SER 4 4 27242 1 . VAL 5 5 27242 1 . GLU 6 6 27242 1 . THR 7 7 27242 1 . THR 8 8 27242 1 . GLN 9 9 27242 1 . GLY 10 10 27242 1 . LEU 11 11 27242 1 . GLY 12 12 27242 1 . ARG 13 13 27242 1 . ARG 14 14 27242 1 . VAL 15 15 27242 1 . THR 16 16 27242 1 . ILE 17 17 27242 1 . THR 18 18 27242 1 . ILE 19 19 27242 1 . ALA 20 20 27242 1 . ALA 21 21 27242 1 . ASP 22 22 27242 1 . SER 23 23 27242 1 . ILE 24 24 27242 1 . GLU 25 25 27242 1 . THR 26 26 27242 1 . ALA 27 27 27242 1 . VAL 28 28 27242 1 . LYS 29 29 27242 1 . SER 30 30 27242 1 . GLU 31 31 27242 1 . LEU 32 32 27242 1 . VAL 33 33 27242 1 . ASN 34 34 27242 1 . VAL 35 35 27242 1 . ALA 36 36 27242 1 . LYS 37 37 27242 1 . LYS 38 38 27242 1 . VAL 39 39 27242 1 . ARG 40 40 27242 1 . ILE 41 41 27242 1 . ASP 42 42 27242 1 . GLY 43 43 27242 1 . PHE 44 44 27242 1 . ARG 45 45 27242 1 . LYS 46 46 27242 1 . GLY 47 47 27242 1 . LYS 48 48 27242 1 . VAL 49 49 27242 1 . PRO 50 50 27242 1 . MET 51 51 27242 1 . ASN 52 52 27242 1 . ILE 53 53 27242 1 . VAL 54 54 27242 1 . ALA 55 55 27242 1 . GLN 56 56 27242 1 . ARG 57 57 27242 1 . TYR 58 58 27242 1 . GLY 59 59 27242 1 . ALA 60 60 27242 1 . SER 61 61 27242 1 . VAL 62 62 27242 1 . ARG 63 63 27242 1 . GLN 64 64 27242 1 . ASP 65 65 27242 1 . VAL 66 66 27242 1 . LEU 67 67 27242 1 . GLY 68 68 27242 1 . ASP 69 69 27242 1 . LEU 70 70 27242 1 . MET 71 71 27242 1 . SER 72 72 27242 1 . ARG 73 73 27242 1 . ASN 74 74 27242 1 . PHE 75 75 27242 1 . ILE 76 76 27242 1 . ASP 77 77 27242 1 . ALA 78 78 27242 1 . ILE 79 79 27242 1 . ILE 80 80 27242 1 . LYS 81 81 27242 1 . GLU 82 82 27242 1 . LYS 83 83 27242 1 . ILE 84 84 27242 1 . ASN 85 85 27242 1 . PRO 86 86 27242 1 . ALA 87 87 27242 1 . GLY 88 88 27242 1 . ALA 89 89 27242 1 . PRO 90 90 27242 1 . THR 91 91 27242 1 . TYR 92 92 27242 1 . VAL 93 93 27242 1 . PRO 94 94 27242 1 . GLY 95 95 27242 1 . GLU 96 96 27242 1 . TYR 97 97 27242 1 . LYS 98 98 27242 1 . LEU 99 99 27242 1 . GLY 100 100 27242 1 . GLU 101 101 27242 1 . ASP 102 102 27242 1 . PHE 103 103 27242 1 . THR 104 104 27242 1 . TYR 105 105 27242 1 . SER 106 106 27242 1 . VAL 107 107 27242 1 . GLU 108 108 27242 1 . PHE 109 109 27242 1 . GLU 110 110 27242 1 . VAL 111 111 27242 1 . TYR 112 112 27242 1 . PRO 113 113 27242 1 . GLU 114 114 27242 1 . VAL 115 115 27242 1 . GLU 116 116 27242 1 . LEU 117 117 27242 1 . GLN 118 118 27242 1 . GLY 119 119 27242 1 . LEU 120 120 27242 1 . GLU 121 121 27242 1 . ALA 122 122 27242 1 . ILE 123 123 27242 1 . GLU 124 124 27242 1 . VAL 125 125 27242 1 . GLU 126 126 27242 1 . LYS 127 127 27242 1 . PRO 128 128 27242 1 . ILE 129 129 27242 1 . VAL 130 130 27242 1 . GLU 131 131 27242 1 . VAL 132 132 27242 1 . THR 133 133 27242 1 . ASP 134 134 27242 1 . ALA 135 135 27242 1 . ASP 136 136 27242 1 . VAL 137 137 27242 1 . ASP 138 138 27242 1 . GLY 139 139 27242 1 . MET 140 140 27242 1 . LEU 141 141 27242 1 . ASP 142 142 27242 1 . THR 143 143 27242 1 . LEU 144 144 27242 1 . ARG 145 145 27242 1 . LYS 146 146 27242 1 . GLN 147 147 27242 1 . GLN 148 148 27242 1 . ALA 149 149 27242 1 . THR 150 150 27242 1 . TRP 151 151 27242 1 . LYS 152 152 27242 1 . GLU 153 153 27242 1 . LYS 154 154 27242 1 . ASP 155 155 27242 1 . GLY 156 156 27242 1 . ALA 157 157 27242 1 . VAL 158 158 27242 1 . GLU 159 159 27242 1 . ALA 160 160 27242 1 . GLU 161 161 27242 1 . ASP 162 162 27242 1 . ARG 163 163 27242 1 . VAL 164 164 27242 1 . THR 165 165 27242 1 . ILE 166 166 27242 1 . ASP 167 167 27242 1 . PHE 168 168 27242 1 . THR 169 169 27242 1 . GLY 170 170 27242 1 . SER 171 171 27242 1 . VAL 172 172 27242 1 . ASP 173 173 27242 1 . GLY 174 174 27242 1 . GLU 175 175 27242 1 . GLU 176 176 27242 1 . PHE 177 177 27242 1 . GLU 178 178 27242 1 . GLY 179 179 27242 1 . GLY 180 180 27242 1 . LYS 181 181 27242 1 . ALA 182 182 27242 1 . SER 183 183 27242 1 . ASP 184 184 27242 1 . PHE 185 185 27242 1 . VAL 186 186 27242 1 . LEU 187 187 27242 1 . ALA 188 188 27242 1 . MET 189 189 27242 1 . GLY 190 190 27242 1 . GLN 191 191 27242 1 . GLY 192 192 27242 1 . ARG 193 193 27242 1 . MET 194 194 27242 1 . ILE 195 195 27242 1 . PRO 196 196 27242 1 . GLY 197 197 27242 1 . PHE 198 198 27242 1 . GLU 199 199 27242 1 . ASP 200 200 27242 1 . GLY 201 201 27242 1 . ILE 202 202 27242 1 . LYS 203 203 27242 1 . GLY 204 204 27242 1 . HIS 205 205 27242 1 . LYS 206 206 27242 1 . ALA 207 207 27242 1 . GLY 208 208 27242 1 . GLU 209 209 27242 1 . GLU 210 210 27242 1 . PHE 211 211 27242 1 . THR 212 212 27242 1 . ILE 213 213 27242 1 . ASP 214 214 27242 1 . VAL 215 215 27242 1 . THR 216 216 27242 1 . PHE 217 217 27242 1 . PRO 218 218 27242 1 . GLU 219 219 27242 1 . GLU 220 220 27242 1 . TYR 221 221 27242 1 . HIS 222 222 27242 1 . ALA 223 223 27242 1 . GLU 224 224 27242 1 . ASN 225 225 27242 1 . LEU 226 226 27242 1 . LYS 227 227 27242 1 . GLY 228 228 27242 1 . LYS 229 229 27242 1 . ALA 230 230 27242 1 . ALA 231 231 27242 1 . LYS 232 232 27242 1 . PHE 233 233 27242 1 . ALA 234 234 27242 1 . ILE 235 235 27242 1 . ASN 236 236 27242 1 . LEU 237 237 27242 1 . LYS 238 238 27242 1 . LYS 239 239 27242 1 . VAL 240 240 27242 1 . GLU 241 241 27242 1 . GLU 242 242 27242 1 . ARG 243 243 27242 1 . GLU 244 244 27242 1 . LEU 245 245 27242 1 . PRO 246 246 27242 1 . GLU 247 247 27242 1 . LEU 248 248 27242 1 . THR 249 249 27242 1 . ALA 250 250 27242 1 . GLU 251 251 27242 1 . PHE 252 252 27242 1 . ILE 253 253 27242 1 . LYS 254 254 27242 1 . ARG 255 255 27242 1 . PHE 256 256 27242 1 . GLY 257 257 27242 1 . VAL 258 258 27242 1 . GLU 259 259 27242 1 . ASP 260 260 27242 1 . GLY 261 261 27242 1 . SER 262 262 27242 1 . VAL 263 263 27242 1 . GLU 264 264 27242 1 . GLY 265 265 27242 1 . LEU 266 266 27242 1 . ARG 267 267 27242 1 . ALA 268 268 27242 1 . GLU 269 269 27242 1 . VAL 270 270 27242 1 . ARG 271 271 27242 1 . LYS 272 272 27242 1 . ASN 273 273 27242 1 . MET 274 274 27242 1 . GLU 275 275 27242 1 . ARG 276 276 27242 1 . GLU 277 277 27242 1 . LEU 278 278 27242 1 . LYS 279 279 27242 1 . SER 280 280 27242 1 . ALA 281 281 27242 1 . ILE 282 282 27242 1 . ARG 283 283 27242 1 . ASN 284 284 27242 1 . ARG 285 285 27242 1 . VAL 286 286 27242 1 . LYS 287 287 27242 1 . SER 288 288 27242 1 . GLN 289 289 27242 1 . ALA 290 290 27242 1 . ILE 291 291 27242 1 . GLU 292 292 27242 1 . GLY 293 293 27242 1 . LEU 294 294 27242 1 . VAL 295 295 27242 1 . LYS 296 296 27242 1 . ALA 297 297 27242 1 . ASN 298 298 27242 1 . ASP 299 299 27242 1 . ILE 300 300 27242 1 . ASP 301 301 27242 1 . VAL 302 302 27242 1 . PRO 303 303 27242 1 . ALA 304 304 27242 1 . ALA 305 305 27242 1 . LEU 306 306 27242 1 . ILE 307 307 27242 1 . ASP 308 308 27242 1 . SER 309 309 27242 1 . GLU 310 310 27242 1 . ILE 311 311 27242 1 . ASP 312 312 27242 1 . VAL 313 313 27242 1 . LEU 314 314 27242 1 . ARG 315 315 27242 1 . ARG 316 316 27242 1 . GLN 317 317 27242 1 . ALA 318 318 27242 1 . ALA 319 319 27242 1 . GLN 320 320 27242 1 . ARG 321 321 27242 1 . PHE 322 322 27242 1 . GLY 323 323 27242 1 . GLY 324 324 27242 1 . ASN 325 325 27242 1 . GLU 326 326 27242 1 . LYS 327 327 27242 1 . GLN 328 328 27242 1 . ALA 329 329 27242 1 . LEU 330 330 27242 1 . GLU 331 331 27242 1 . LEU 332 332 27242 1 . PRO 333 333 27242 1 . ARG 334 334 27242 1 . GLU 335 335 27242 1 . LEU 336 336 27242 1 . PHE 337 337 27242 1 . GLU 338 338 27242 1 . GLU 339 339 27242 1 . GLN 340 340 27242 1 . ALA 341 341 27242 1 . LYS 342 342 27242 1 . ARG 343 343 27242 1 . ARG 344 344 27242 1 . VAL 345 345 27242 1 . VAL 346 346 27242 1 . VAL 347 347 27242 1 . GLY 348 348 27242 1 . LEU 349 349 27242 1 . LEU 350 350 27242 1 . LEU 351 351 27242 1 . GLY 352 352 27242 1 . GLU 353 353 27242 1 . VAL 354 354 27242 1 . ILE 355 355 27242 1 . ARG 356 356 27242 1 . THR 357 357 27242 1 . ASN 358 358 27242 1 . GLU 359 359 27242 1 . LEU 360 360 27242 1 . LYS 361 361 27242 1 . ALA 362 362 27242 1 . ASP 363 363 27242 1 . GLU 364 364 27242 1 . GLU 365 365 27242 1 . ARG 366 366 27242 1 . VAL 367 367 27242 1 . LYS 368 368 27242 1 . GLY 369 369 27242 1 . LEU 370 370 27242 1 . ILE 371 371 27242 1 . GLU 372 372 27242 1 . GLU 373 373 27242 1 . MET 374 374 27242 1 . ALA 375 375 27242 1 . SER 376 376 27242 1 . ALA 377 377 27242 1 . TYR 378 378 27242 1 . GLU 379 379 27242 1 . ASP 380 380 27242 1 . PRO 381 381 27242 1 . LYS 382 382 27242 1 . GLU 383 383 27242 1 . VAL 384 384 27242 1 . ILE 385 385 27242 1 . GLU 386 386 27242 1 . PHE 387 387 27242 1 . TYR 388 388 27242 1 . SER 389 389 27242 1 . LYS 390 390 27242 1 . ASN 391 391 27242 1 . LYS 392 392 27242 1 . GLU 393 393 27242 1 . LEU 394 394 27242 1 . MET 395 395 27242 1 . ASP 396 396 27242 1 . ASN 397 397 27242 1 . MET 398 398 27242 1 . ARG 399 399 27242 1 . ASN 400 400 27242 1 . VAL 401 401 27242 1 . ALA 402 402 27242 1 . LEU 403 403 27242 1 . GLU 404 404 27242 1 . GLU 405 405 27242 1 . GLN 406 406 27242 1 . ALA 407 407 27242 1 . VAL 408 408 27242 1 . GLU 409 409 27242 1 . ALA 410 410 27242 1 . VAL 411 411 27242 1 . LEU 412 412 27242 1 . ALA 413 413 27242 1 . LYS 414 414 27242 1 . ALA 415 415 27242 1 . LYS 416 416 27242 1 . VAL 417 417 27242 1 . THR 418 418 27242 1 . GLU 419 419 27242 1 . LYS 420 420 27242 1 . GLU 421 421 27242 1 . THR 422 422 27242 1 . THR 423 423 27242 1 . PHE 424 424 27242 1 . ASN 425 425 27242 1 . GLU 426 426 27242 1 . LEU 427 427 27242 1 . MET 428 428 27242 1 . ASN 429 429 27242 1 . GLN 430 430 27242 1 . GLN 431 431 27242 1 . ALA 432 432 27242 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 27242 _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 $TF . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27242 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 27242 _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 $TF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b . . . 27242 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27242 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TF '[U-13C; U-15N; U-2H]' . . 1 $TF . . 1 . . mM . . . . 27242 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27242 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27242 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27242 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27242 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27242 1 pH 6.5 . pH 27242 1 pressure 1 . atm 27242 1 temperature 298 . K 27242 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 27242 _Software.ID 2 _Software.Type . _Software.Name PROSA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 27242 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27242 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27242 _Software.ID 3 _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' . . 27242 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27242 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27242 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27242 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27242 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27242 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 27242 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 27242 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 27242 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27242 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27242 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27242 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27242 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27242 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27242 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27242 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27242 1 2 '3D HNCACB' . . . 27242 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 6 6 GLU CA C 13 53.8 0.3 . 1 . . . . . 6 GLU CA . 27242 1 2 . 1 1 6 6 GLU CB C 13 32.9 0.3 . 1 . . . . . 6 GLU CB . 27242 1 3 . 1 1 7 7 THR H H 1 8.66 0.02 . 1 . . . . . 7 THR H . 27242 1 4 . 1 1 7 7 THR CA C 13 61.7 0.3 . 1 . . . . . 7 THR CA . 27242 1 5 . 1 1 7 7 THR CB C 13 69.1 0.3 . 1 . . . . . 7 THR CB . 27242 1 6 . 1 1 7 7 THR N N 15 119.4 0.3 . 1 . . . . . 7 THR N . 27242 1 7 . 1 1 8 8 THR H H 1 7.60 0.02 . 1 . . . . . 8 THR H . 27242 1 8 . 1 1 8 8 THR CA C 13 59.7 0.3 . 1 . . . . . 8 THR CA . 27242 1 9 . 1 1 8 8 THR CB C 13 66.6 0.3 . 1 . . . . . 8 THR CB . 27242 1 10 . 1 1 8 8 THR N N 15 118.3 0.3 . 1 . . . . . 8 THR N . 27242 1 11 . 1 1 10 10 GLY H H 1 8.96 0.02 . 1 . . . . . 10 GLY H . 27242 1 12 . 1 1 10 10 GLY CA C 13 46.8 0.3 . 1 . . . . . 10 GLY CA . 27242 1 13 . 1 1 10 10 GLY N N 15 115.9 0.3 . 1 . . . . . 10 GLY N . 27242 1 14 . 1 1 11 11 LEU H H 1 9.06 0.02 . 1 . . . . . 11 LEU H . 27242 1 15 . 1 1 11 11 LEU N N 15 129.7 0.3 . 1 . . . . . 11 LEU N . 27242 1 16 . 1 1 12 12 GLY H H 1 8.61 0.02 . 1 . . . . . 12 GLY H . 27242 1 17 . 1 1 12 12 GLY N N 15 107.6 0.3 . 1 . . . . . 12 GLY N . 27242 1 18 . 1 1 16 16 THR H H 1 8.90 0.02 . 1 . . . . . 16 THR H . 27242 1 19 . 1 1 16 16 THR N N 15 125.4 0.3 . 1 . . . . . 16 THR N . 27242 1 20 . 1 1 17 17 ILE H H 1 8.75 0.02 . 1 . . . . . 17 ILE H . 27242 1 21 . 1 1 17 17 ILE N N 15 130.8 0.3 . 1 . . . . . 17 ILE N . 27242 1 22 . 1 1 104 104 THR H H 1 8.37 0.02 . 1 . . . . . 104 THR H . 27242 1 23 . 1 1 104 104 THR N N 15 127.5 0.3 . 1 . . . . . 104 THR N . 27242 1 24 . 1 1 105 105 TYR H H 1 8.80 0.02 . 1 . . . . . 105 TYR H . 27242 1 25 . 1 1 105 105 TYR N N 15 122.1 0.3 . 1 . . . . . 105 TYR N . 27242 1 26 . 1 1 107 107 VAL H H 1 9.04 0.02 . 1 . . . . . 107 VAL H . 27242 1 27 . 1 1 107 107 VAL N N 15 122.4 0.3 . 1 . . . . . 107 VAL N . 27242 1 28 . 1 1 108 108 GLU H H 1 8.94 0.02 . 1 . . . . . 108 GLU H . 27242 1 29 . 1 1 108 108 GLU N N 15 126.1 0.3 . 1 . . . . . 108 GLU N . 27242 1 30 . 1 1 111 111 VAL H H 1 8.05 0.02 . 1 . . . . . 111 VAL H . 27242 1 31 . 1 1 111 111 VAL CA C 13 59.1 0.3 . 1 . . . . . 111 VAL CA . 27242 1 32 . 1 1 111 111 VAL CB C 13 33.0 0.3 . 1 . . . . . 111 VAL CB . 27242 1 33 . 1 1 111 111 VAL N N 15 114.1 0.3 . 1 . . . . . 111 VAL N . 27242 1 34 . 1 1 114 114 GLU H H 1 8.34 0.02 . 1 . . . . . 114 GLU H . 27242 1 35 . 1 1 114 114 GLU CA C 13 55.9 0.3 . 1 . . . . . 114 GLU CA . 27242 1 36 . 1 1 114 114 GLU CB C 13 29.3 0.3 . 1 . . . . . 114 GLU CB . 27242 1 37 . 1 1 114 114 GLU N N 15 122.6 0.3 . 1 . . . . . 114 GLU N . 27242 1 38 . 1 1 115 115 VAL CA C 13 60.7 0.3 . 1 . . . . . 115 VAL CA . 27242 1 39 . 1 1 116 116 GLU H H 1 8.27 0.02 . 1 . . . . . 116 GLU H . 27242 1 40 . 1 1 116 116 GLU CA C 13 55.6 0.3 . 1 . . . . . 116 GLU CA . 27242 1 41 . 1 1 116 116 GLU CB C 13 29.3 0.3 . 1 . . . . . 116 GLU CB . 27242 1 42 . 1 1 116 116 GLU N N 15 125.4 0.3 . 1 . . . . . 116 GLU N . 27242 1 43 . 1 1 118 118 GLN H H 1 9.39 0.02 . 1 . . . . . 118 GLN H . 27242 1 44 . 1 1 118 118 GLN N N 15 122.8 0.3 . 1 . . . . . 118 GLN N . 27242 1 45 . 1 1 119 119 GLY H H 1 8.41 0.02 . 1 . . . . . 119 GLY H . 27242 1 46 . 1 1 119 119 GLY CA C 13 45.8 0.3 . 1 . . . . . 119 GLY CA . 27242 1 47 . 1 1 119 119 GLY N N 15 105.1 0.3 . 1 . . . . . 119 GLY N . 27242 1 48 . 1 1 120 120 LEU H H 1 8.03 0.02 . 1 . . . . . 120 LEU H . 27242 1 49 . 1 1 120 120 LEU N N 15 121.4 0.3 . 1 . . . . . 120 LEU N . 27242 1 50 . 1 1 121 121 GLU H H 1 8.58 0.02 . 1 . . . . . 121 GLU H . 27242 1 51 . 1 1 121 121 GLU N N 15 113.1 0.3 . 1 . . . . . 121 GLU N . 27242 1 52 . 1 1 122 122 ALA H H 1 7.19 0.02 . 1 . . . . . 122 ALA H . 27242 1 53 . 1 1 122 122 ALA N N 15 120.2 0.3 . 1 . . . . . 122 ALA N . 27242 1 54 . 1 1 123 123 ILE CA C 13 62.3 0.3 . 1 . . . . . 123 ILE CA . 27242 1 55 . 1 1 123 123 ILE N N 15 122.9 0.3 . 1 . . . . . 123 ILE N . 27242 1 56 . 1 1 124 124 GLU H H 1 8.18 0.02 . 1 . . . . . 124 GLU H . 27242 1 57 . 1 1 124 124 GLU CA C 13 54.6 0.3 . 1 . . . . . 124 GLU CA . 27242 1 58 . 1 1 124 124 GLU CB C 13 29.9 0.3 . 1 . . . . . 124 GLU CB . 27242 1 59 . 1 1 124 124 GLU N N 15 127.5 0.3 . 1 . . . . . 124 GLU N . 27242 1 60 . 1 1 125 125 VAL H H 1 8.38 0.02 . 1 . . . . . 125 VAL H . 27242 1 61 . 1 1 125 125 VAL CA C 13 60.5 0.3 . 1 . . . . . 125 VAL CA . 27242 1 62 . 1 1 125 125 VAL CB C 13 34.8 0.3 . 1 . . . . . 125 VAL CB . 27242 1 63 . 1 1 125 125 VAL N N 15 123.7 0.3 . 1 . . . . . 125 VAL N . 27242 1 64 . 1 1 126 126 GLU H H 1 9.03 0.02 . 1 . . . . . 126 GLU H . 27242 1 65 . 1 1 126 126 GLU CA C 13 53.6 0.3 . 1 . . . . . 126 GLU CA . 27242 1 66 . 1 1 126 126 GLU CB C 13 30.2 0.3 . 1 . . . . . 126 GLU CB . 27242 1 67 . 1 1 126 126 GLU N N 15 127.9 0.3 . 1 . . . . . 126 GLU N . 27242 1 68 . 1 1 127 127 LYS H H 1 9.21 0.02 . 1 . . . . . 127 LYS H . 27242 1 69 . 1 1 127 127 LYS CA C 13 51.9 0.3 . 1 . . . . . 127 LYS CA . 27242 1 70 . 1 1 127 127 LYS N N 15 131.3 0.3 . 1 . . . . . 127 LYS N . 27242 1 71 . 1 1 129 129 ILE H H 1 8.00 0.02 . 1 . . . . . 129 ILE H . 27242 1 72 . 1 1 129 129 ILE CA C 13 58.8 0.3 . 1 . . . . . 129 ILE CA . 27242 1 73 . 1 1 129 129 ILE CB C 13 36.6 0.3 . 1 . . . . . 129 ILE CB . 27242 1 74 . 1 1 129 129 ILE N N 15 125.3 0.3 . 1 . . . . . 129 ILE N . 27242 1 75 . 1 1 130 130 VAL H H 1 7.98 0.02 . 1 . . . . . 130 VAL H . 27242 1 76 . 1 1 130 130 VAL CA C 13 59.4 0.3 . 1 . . . . . 130 VAL CA . 27242 1 77 . 1 1 130 130 VAL CB C 13 33.3 0.3 . 1 . . . . . 130 VAL CB . 27242 1 78 . 1 1 130 130 VAL N N 15 126.2 0.3 . 1 . . . . . 130 VAL N . 27242 1 79 . 1 1 133 133 THR H H 1 9.65 0.02 . 1 . . . . . 133 THR H . 27242 1 80 . 1 1 133 133 THR N N 15 123.3 0.3 . 1 . . . . . 133 THR N . 27242 1 81 . 1 1 134 134 ASP H H 1 8.72 0.02 . 1 . . . . . 134 ASP H . 27242 1 82 . 1 1 134 134 ASP N N 15 121.0 0.3 . 1 . . . . . 134 ASP N . 27242 1 83 . 1 1 136 136 ASP H H 1 7.77 0.02 . 1 . . . . . 136 ASP H . 27242 1 84 . 1 1 136 136 ASP N N 15 121.6 0.3 . 1 . . . . . 136 ASP N . 27242 1 85 . 1 1 137 137 VAL H H 1 7.54 0.02 . 1 . . . . . 137 VAL H . 27242 1 86 . 1 1 137 137 VAL N N 15 123.0 0.3 . 1 . . . . . 137 VAL N . 27242 1 87 . 1 1 139 139 GLY H H 1 8.07 0.02 . 1 . . . . . 139 GLY H . 27242 1 88 . 1 1 139 139 GLY N N 15 107.6 0.3 . 1 . . . . . 139 GLY N . 27242 1 89 . 1 1 151 151 TRP H H 1 8.26 0.02 . 1 . . . . . 151 TRP H . 27242 1 90 . 1 1 151 151 TRP HE1 H 1 9.75 0.02 . 1 . . . . . 151 TRP HE1 . 27242 1 91 . 1 1 151 151 TRP CA C 13 55.2 0.3 . 1 . . . . . 151 TRP CA . 27242 1 92 . 1 1 151 151 TRP CB C 13 30.0 0.3 . 1 . . . . . 151 TRP CB . 27242 1 93 . 1 1 151 151 TRP N N 15 123.4 0.3 . 1 . . . . . 151 TRP N . 27242 1 94 . 1 1 151 151 TRP NE1 N 15 129.1 0.3 . 1 . . . . . 151 TRP NE1 . 27242 1 95 . 1 1 152 152 LYS H H 1 9.28 0.02 . 1 . . . . . 152 LYS H . 27242 1 96 . 1 1 152 152 LYS CA C 13 53.7 0.3 . 1 . . . . . 152 LYS CA . 27242 1 97 . 1 1 152 152 LYS CB C 13 34.6 0.3 . 1 . . . . . 152 LYS CB . 27242 1 98 . 1 1 152 152 LYS N N 15 123.2 0.3 . 1 . . . . . 152 LYS N . 27242 1 99 . 1 1 153 153 GLU H H 1 8.78 0.02 . 1 . . . . . 153 GLU H . 27242 1 100 . 1 1 153 153 GLU CA C 13 57.7 0.3 . 1 . . . . . 153 GLU CA . 27242 1 101 . 1 1 153 153 GLU CB C 13 28.9 0.3 . 1 . . . . . 153 GLU CB . 27242 1 102 . 1 1 153 153 GLU N N 15 124.8 0.3 . 1 . . . . . 153 GLU N . 27242 1 103 . 1 1 154 154 LYS H H 1 8.70 0.02 . 1 . . . . . 154 LYS H . 27242 1 104 . 1 1 154 154 LYS CA C 13 53.8 0.3 . 1 . . . . . 154 LYS CA . 27242 1 105 . 1 1 154 154 LYS CB C 13 34.8 0.3 . 1 . . . . . 154 LYS CB . 27242 1 106 . 1 1 154 154 LYS N N 15 123.9 0.3 . 1 . . . . . 154 LYS N . 27242 1 107 . 1 1 155 155 ASP H H 1 8.56 0.02 . 1 . . . . . 155 ASP H . 27242 1 108 . 1 1 155 155 ASP CA C 13 52.5 0.3 . 1 . . . . . 155 ASP CA . 27242 1 109 . 1 1 155 155 ASP CB C 13 39.8 0.3 . 1 . . . . . 155 ASP CB . 27242 1 110 . 1 1 155 155 ASP N N 15 123.6 0.3 . 1 . . . . . 155 ASP N . 27242 1 111 . 1 1 156 156 GLY H H 1 7.15 0.02 . 1 . . . . . 156 GLY H . 27242 1 112 . 1 1 156 156 GLY CA C 13 43.1 0.3 . 1 . . . . . 156 GLY CA . 27242 1 113 . 1 1 156 156 GLY N N 15 106.7 0.3 . 1 . . . . . 156 GLY N . 27242 1 114 . 1 1 157 157 ALA H H 1 8.09 0.02 . 1 . . . . . 157 ALA H . 27242 1 115 . 1 1 157 157 ALA CA C 13 50.6 0.3 . 1 . . . . . 157 ALA CA . 27242 1 116 . 1 1 157 157 ALA CB C 13 18.9 0.3 . 1 . . . . . 157 ALA CB . 27242 1 117 . 1 1 157 157 ALA N N 15 120.3 0.3 . 1 . . . . . 157 ALA N . 27242 1 118 . 1 1 158 158 VAL H H 1 8.64 0.02 . 1 . . . . . 158 VAL H . 27242 1 119 . 1 1 158 158 VAL CA C 13 63.6 0.3 . 1 . . . . . 158 VAL CA . 27242 1 120 . 1 1 158 158 VAL CB C 13 31.5 0.3 . 1 . . . . . 158 VAL CB . 27242 1 121 . 1 1 158 158 VAL N N 15 119.6 0.3 . 1 . . . . . 158 VAL N . 27242 1 122 . 1 1 159 159 GLU H H 1 9.49 0.02 . 1 . . . . . 159 GLU H . 27242 1 123 . 1 1 159 159 GLU CA C 13 54.1 0.3 . 1 . . . . . 159 GLU CA . 27242 1 124 . 1 1 159 159 GLU CB C 13 31.2 0.3 . 1 . . . . . 159 GLU CB . 27242 1 125 . 1 1 159 159 GLU N N 15 132.5 0.3 . 1 . . . . . 159 GLU N . 27242 1 126 . 1 1 160 160 ALA H H 1 8.14 0.02 . 1 . . . . . 160 ALA H . 27242 1 127 . 1 1 160 160 ALA CA C 13 54.9 0.3 . 1 . . . . . 160 ALA CA . 27242 1 128 . 1 1 160 160 ALA CB C 13 18.9 0.3 . 1 . . . . . 160 ALA CB . 27242 1 129 . 1 1 160 160 ALA N N 15 117.5 0.3 . 1 . . . . . 160 ALA N . 27242 1 130 . 1 1 161 161 GLU H H 1 8.03 0.02 . 1 . . . . . 161 GLU H . 27242 1 131 . 1 1 161 161 GLU CA C 13 54.7 0.3 . 1 . . . . . 161 GLU CA . 27242 1 132 . 1 1 161 161 GLU CB C 13 28.5 0.3 . 1 . . . . . 161 GLU CB . 27242 1 133 . 1 1 161 161 GLU N N 15 112.1 0.3 . 1 . . . . . 161 GLU N . 27242 1 134 . 1 1 162 162 ASP H H 1 7.16 0.02 . 1 . . . . . 162 ASP H . 27242 1 135 . 1 1 162 162 ASP CA C 13 54.9 0.3 . 1 . . . . . 162 ASP CA . 27242 1 136 . 1 1 162 162 ASP CB C 13 40.9 0.3 . 1 . . . . . 162 ASP CB . 27242 1 137 . 1 1 162 162 ASP N N 15 123.1 0.3 . 1 . . . . . 162 ASP N . 27242 1 138 . 1 1 163 163 ARG H H 1 8.85 0.02 . 1 . . . . . 163 ARG H . 27242 1 139 . 1 1 163 163 ARG CA C 13 53.9 0.3 . 1 . . . . . 163 ARG CA . 27242 1 140 . 1 1 163 163 ARG CB C 13 33.1 0.3 . 1 . . . . . 163 ARG CB . 27242 1 141 . 1 1 163 163 ARG N N 15 118.9 0.3 . 1 . . . . . 163 ARG N . 27242 1 142 . 1 1 164 164 VAL H H 1 8.90 0.02 . 1 . . . . . 164 VAL H . 27242 1 143 . 1 1 164 164 VAL CA C 13 57.7 0.3 . 1 . . . . . 164 VAL CA . 27242 1 144 . 1 1 164 164 VAL CB C 13 33.1 0.3 . 1 . . . . . 164 VAL CB . 27242 1 145 . 1 1 164 164 VAL N N 15 120.0 0.3 . 1 . . . . . 164 VAL N . 27242 1 146 . 1 1 166 166 ILE H H 1 9.48 0.02 . 1 . . . . . 166 ILE H . 27242 1 147 . 1 1 166 166 ILE CA C 13 57.9 0.3 . 1 . . . . . 166 ILE CA . 27242 1 148 . 1 1 166 166 ILE CB C 13 41.7 0.3 . 1 . . . . . 166 ILE CB . 27242 1 149 . 1 1 166 166 ILE N N 15 120.2 0.3 . 1 . . . . . 166 ILE N . 27242 1 150 . 1 1 167 167 ASP H H 1 8.42 0.02 . 1 . . . . . 167 ASP H . 27242 1 151 . 1 1 167 167 ASP CA C 13 52.0 0.3 . 1 . . . . . 167 ASP CA . 27242 1 152 . 1 1 167 167 ASP CB C 13 41.5 0.3 . 1 . . . . . 167 ASP CB . 27242 1 153 . 1 1 167 167 ASP N N 15 119.5 0.3 . 1 . . . . . 167 ASP N . 27242 1 154 . 1 1 168 168 PHE H H 1 8.47 0.02 . 1 . . . . . 168 PHE H . 27242 1 155 . 1 1 168 168 PHE N N 15 115.1 0.3 . 1 . . . . . 168 PHE N . 27242 1 156 . 1 1 169 169 THR H H 1 8.37 0.02 . 1 . . . . . 169 THR H . 27242 1 157 . 1 1 169 169 THR N N 15 115.1 0.3 . 1 . . . . . 169 THR N . 27242 1 158 . 1 1 170 170 GLY H H 1 9.14 0.02 . 1 . . . . . 170 GLY H . 27242 1 159 . 1 1 170 170 GLY CA C 13 44.3 0.3 . 1 . . . . . 170 GLY CA . 27242 1 160 . 1 1 170 170 GLY N N 15 119.4 0.3 . 1 . . . . . 170 GLY N . 27242 1 161 . 1 1 171 171 SER H H 1 8.87 0.02 . 1 . . . . . 171 SER H . 27242 1 162 . 1 1 171 171 SER CA C 13 56.5 0.3 . 1 . . . . . 171 SER CA . 27242 1 163 . 1 1 171 171 SER CB C 13 65.4 0.3 . 1 . . . . . 171 SER CB . 27242 1 164 . 1 1 171 171 SER N N 15 116.2 0.3 . 1 . . . . . 171 SER N . 27242 1 165 . 1 1 172 172 VAL H H 1 8.73 0.02 . 1 . . . . . 172 VAL H . 27242 1 166 . 1 1 172 172 VAL CA C 13 60.7 0.3 . 1 . . . . . 172 VAL CA . 27242 1 167 . 1 1 172 172 VAL CB C 13 33.5 0.3 . 1 . . . . . 172 VAL CB . 27242 1 168 . 1 1 172 172 VAL N N 15 120.8 0.3 . 1 . . . . . 172 VAL N . 27242 1 169 . 1 1 173 173 ASP H H 1 9.46 0.02 . 1 . . . . . 173 ASP H . 27242 1 170 . 1 1 173 173 ASP CA C 13 55.0 0.3 . 1 . . . . . 173 ASP CA . 27242 1 171 . 1 1 173 173 ASP CB C 13 38.8 0.3 . 1 . . . . . 173 ASP CB . 27242 1 172 . 1 1 173 173 ASP N N 15 129.4 0.3 . 1 . . . . . 173 ASP N . 27242 1 173 . 1 1 174 174 GLY H H 1 8.51 0.02 . 1 . . . . . 174 GLY H . 27242 1 174 . 1 1 174 174 GLY CA C 13 44.5 0.3 . 1 . . . . . 174 GLY CA . 27242 1 175 . 1 1 174 174 GLY N N 15 102.9 0.3 . 1 . . . . . 174 GLY N . 27242 1 176 . 1 1 175 175 GLU H H 1 7.78 0.02 . 1 . . . . . 175 GLU H . 27242 1 177 . 1 1 175 175 GLU CA C 13 53.9 0.3 . 1 . . . . . 175 GLU CA . 27242 1 178 . 1 1 175 175 GLU CB C 13 30.9 0.3 . 1 . . . . . 175 GLU CB . 27242 1 179 . 1 1 175 175 GLU N N 15 120.9 0.3 . 1 . . . . . 175 GLU N . 27242 1 180 . 1 1 176 176 GLU H H 1 8.65 0.02 . 1 . . . . . 176 GLU H . 27242 1 181 . 1 1 176 176 GLU CA C 13 55.1 0.3 . 1 . . . . . 176 GLU CA . 27242 1 182 . 1 1 176 176 GLU CB C 13 29.0 0.3 . 1 . . . . . 176 GLU CB . 27242 1 183 . 1 1 176 176 GLU N N 15 125.3 0.3 . 1 . . . . . 176 GLU N . 27242 1 184 . 1 1 177 177 PHE CA C 13 53.8 0.3 . 1 . . . . . 177 PHE CA . 27242 1 185 . 1 1 177 177 PHE CB C 13 40.3 0.3 . 1 . . . . . 177 PHE CB . 27242 1 186 . 1 1 178 178 GLU H H 1 8.90 0.02 . 1 . . . . . 178 GLU H . 27242 1 187 . 1 1 178 178 GLU CA C 13 57.4 0.3 . 1 . . . . . 178 GLU CA . 27242 1 188 . 1 1 178 178 GLU CB C 13 28.3 0.3 . 1 . . . . . 178 GLU CB . 27242 1 189 . 1 1 178 178 GLU N N 15 125.1 0.3 . 1 . . . . . 178 GLU N . 27242 1 190 . 1 1 179 179 GLY H H 1 8.84 0.02 . 1 . . . . . 179 GLY H . 27242 1 191 . 1 1 179 179 GLY CA C 13 44.7 0.3 . 1 . . . . . 179 GLY CA . 27242 1 192 . 1 1 179 179 GLY N N 15 114.2 0.3 . 1 . . . . . 179 GLY N . 27242 1 193 . 1 1 180 180 GLY CA C 13 45.8 0.3 . 1 . . . . . 180 GLY CA . 27242 1 194 . 1 1 181 181 LYS H H 1 7.38 0.02 . 1 . . . . . 181 LYS H . 27242 1 195 . 1 1 181 181 LYS CA C 13 53.8 0.3 . 1 . . . . . 181 LYS CA . 27242 1 196 . 1 1 181 181 LYS CB C 13 34.6 0.3 . 1 . . . . . 181 LYS CB . 27242 1 197 . 1 1 181 181 LYS N N 15 119.5 0.3 . 1 . . . . . 181 LYS N . 27242 1 198 . 1 1 182 182 ALA H H 1 7.96 0.02 . 1 . . . . . 182 ALA H . 27242 1 199 . 1 1 182 182 ALA CA C 13 50.9 0.3 . 1 . . . . . 182 ALA CA . 27242 1 200 . 1 1 182 182 ALA CB C 13 21.9 0.3 . 1 . . . . . 182 ALA CB . 27242 1 201 . 1 1 182 182 ALA N N 15 125.8 0.3 . 1 . . . . . 182 ALA N . 27242 1 202 . 1 1 183 183 SER H H 1 8.27 0.02 . 1 . . . . . 183 SER H . 27242 1 203 . 1 1 183 183 SER CA C 13 55.9 0.3 . 1 . . . . . 183 SER CA . 27242 1 204 . 1 1 183 183 SER CB C 13 64.5 0.3 . 1 . . . . . 183 SER CB . 27242 1 205 . 1 1 183 183 SER N N 15 116.0 0.3 . 1 . . . . . 183 SER N . 27242 1 206 . 1 1 184 184 ASP H H 1 9.50 0.02 . 1 . . . . . 184 ASP H . 27242 1 207 . 1 1 184 184 ASP CA C 13 55.6 0.3 . 1 . . . . . 184 ASP CA . 27242 1 208 . 1 1 184 184 ASP CB C 13 38.7 0.3 . 1 . . . . . 184 ASP CB . 27242 1 209 . 1 1 184 184 ASP N N 15 123.8 0.3 . 1 . . . . . 184 ASP N . 27242 1 210 . 1 1 185 185 PHE H H 1 9.04 0.02 . 1 . . . . . 185 PHE H . 27242 1 211 . 1 1 185 185 PHE CA C 13 57.3 0.3 . 1 . . . . . 185 PHE CA . 27242 1 212 . 1 1 185 185 PHE CB C 13 39.1 0.3 . 1 . . . . . 185 PHE CB . 27242 1 213 . 1 1 185 185 PHE N N 15 121.9 0.3 . 1 . . . . . 185 PHE N . 27242 1 214 . 1 1 186 186 VAL H H 1 7.74 0.02 . 1 . . . . . 186 VAL H . 27242 1 215 . 1 1 186 186 VAL CA C 13 61.6 0.3 . 1 . . . . . 186 VAL CA . 27242 1 216 . 1 1 186 186 VAL CB C 13 30.2 0.3 . 1 . . . . . 186 VAL CB . 27242 1 217 . 1 1 186 186 VAL N N 15 129.8 0.3 . 1 . . . . . 186 VAL N . 27242 1 218 . 1 1 187 187 LEU H H 1 9.20 0.02 . 1 . . . . . 187 LEU H . 27242 1 219 . 1 1 187 187 LEU CA C 13 52.2 0.3 . 1 . . . . . 187 LEU CA . 27242 1 220 . 1 1 187 187 LEU CB C 13 43.2 0.3 . 1 . . . . . 187 LEU CB . 27242 1 221 . 1 1 187 187 LEU N N 15 131.4 0.3 . 1 . . . . . 187 LEU N . 27242 1 222 . 1 1 188 188 ALA H H 1 8.46 0.02 . 1 . . . . . 188 ALA H . 27242 1 223 . 1 1 188 188 ALA CA C 13 51.0 0.3 . 1 . . . . . 188 ALA CA . 27242 1 224 . 1 1 188 188 ALA CB C 13 15.7 0.3 . 1 . . . . . 188 ALA CB . 27242 1 225 . 1 1 188 188 ALA N N 15 132.7 0.3 . 1 . . . . . 188 ALA N . 27242 1 226 . 1 1 189 189 MET H H 1 8.52 0.02 . 1 . . . . . 189 MET H . 27242 1 227 . 1 1 189 189 MET CA C 13 56.5 0.3 . 1 . . . . . 189 MET CA . 27242 1 228 . 1 1 189 189 MET CB C 13 32.2 0.3 . 1 . . . . . 189 MET CB . 27242 1 229 . 1 1 189 189 MET N N 15 125.6 0.3 . 1 . . . . . 189 MET N . 27242 1 230 . 1 1 190 190 GLY H H 1 10.07 0.02 . 1 . . . . . 190 GLY H . 27242 1 231 . 1 1 190 190 GLY N N 15 110.1 0.3 . 1 . . . . . 190 GLY N . 27242 1 232 . 1 1 192 192 GLY H H 1 9.00 0.02 . 1 . . . . . 192 GLY H . 27242 1 233 . 1 1 192 192 GLY N N 15 111.4 0.3 . 1 . . . . . 192 GLY N . 27242 1 234 . 1 1 198 198 PHE H H 1 7.67 0.02 . 1 . . . . . 198 PHE H . 27242 1 235 . 1 1 198 198 PHE N N 15 123.1 0.3 . 1 . . . . . 198 PHE N . 27242 1 236 . 1 1 200 200 ASP H H 1 8.21 0.02 . 1 . . . . . 200 ASP H . 27242 1 237 . 1 1 200 200 ASP CA C 13 56.9 0.3 . 1 . . . . . 200 ASP CA . 27242 1 238 . 1 1 200 200 ASP CB C 13 39.4 0.3 . 1 . . . . . 200 ASP CB . 27242 1 239 . 1 1 200 200 ASP N N 15 117.5 0.3 . 1 . . . . . 200 ASP N . 27242 1 240 . 1 1 201 201 GLY H H 1 7.27 0.02 . 1 . . . . . 201 GLY H . 27242 1 241 . 1 1 201 201 GLY N N 15 103.5 0.3 . 1 . . . . . 201 GLY N . 27242 1 242 . 1 1 202 202 ILE H H 1 7.21 0.02 . 1 . . . . . 202 ILE H . 27242 1 243 . 1 1 202 202 ILE CA C 13 62.4 0.3 . 1 . . . . . 202 ILE CA . 27242 1 244 . 1 1 202 202 ILE N N 15 119.5 0.3 . 1 . . . . . 202 ILE N . 27242 1 245 . 1 1 203 203 LYS H H 1 6.87 0.02 . 1 . . . . . 203 LYS H . 27242 1 246 . 1 1 203 203 LYS CA C 13 57.8 0.3 . 1 . . . . . 203 LYS CA . 27242 1 247 . 1 1 203 203 LYS CB C 13 31.0 0.3 . 1 . . . . . 203 LYS CB . 27242 1 248 . 1 1 203 203 LYS N N 15 117.7 0.3 . 1 . . . . . 203 LYS N . 27242 1 249 . 1 1 204 204 GLY H H 1 8.78 0.02 . 1 . . . . . 204 GLY H . 27242 1 250 . 1 1 204 204 GLY CA C 13 44.3 0.3 . 1 . . . . . 204 GLY CA . 27242 1 251 . 1 1 204 204 GLY N N 15 109.7 0.3 . 1 . . . . . 204 GLY N . 27242 1 252 . 1 1 205 205 HIS H H 1 7.37 0.02 . 1 . . . . . 205 HIS H . 27242 1 253 . 1 1 205 205 HIS CA C 13 55.2 0.3 . 1 . . . . . 205 HIS CA . 27242 1 254 . 1 1 205 205 HIS CB C 13 29.6 0.3 . 1 . . . . . 205 HIS CB . 27242 1 255 . 1 1 205 205 HIS N N 15 118.3 0.3 . 1 . . . . . 205 HIS N . 27242 1 256 . 1 1 206 206 LYS H H 1 8.50 0.02 . 1 . . . . . 206 LYS H . 27242 1 257 . 1 1 206 206 LYS CA C 13 53.9 0.3 . 1 . . . . . 206 LYS CA . 27242 1 258 . 1 1 206 206 LYS CB C 13 35.0 0.3 . 1 . . . . . 206 LYS CB . 27242 1 259 . 1 1 206 206 LYS N N 15 118.3 0.3 . 1 . . . . . 206 LYS N . 27242 1 260 . 1 1 207 207 ALA H H 1 8.64 0.02 . 1 . . . . . 207 ALA H . 27242 1 261 . 1 1 207 207 ALA CA C 13 52.8 0.3 . 1 . . . . . 207 ALA CA . 27242 1 262 . 1 1 207 207 ALA CB C 13 16.7 0.3 . 1 . . . . . 207 ALA CB . 27242 1 263 . 1 1 207 207 ALA N N 15 121.4 0.3 . 1 . . . . . 207 ALA N . 27242 1 264 . 1 1 208 208 GLY H H 1 9.06 0.02 . 1 . . . . . 208 GLY H . 27242 1 265 . 1 1 208 208 GLY CA C 13 44.0 0.3 . 1 . . . . . 208 GLY CA . 27242 1 266 . 1 1 208 208 GLY N N 15 111.0 0.3 . 1 . . . . . 208 GLY N . 27242 1 267 . 1 1 209 209 GLU H H 1 7.81 0.02 . 1 . . . . . 209 GLU H . 27242 1 268 . 1 1 209 209 GLU CA C 13 56.3 0.3 . 1 . . . . . 209 GLU CA . 27242 1 269 . 1 1 209 209 GLU CB C 13 31.4 0.3 . 1 . . . . . 209 GLU CB . 27242 1 270 . 1 1 209 209 GLU N N 15 120.2 0.3 . 1 . . . . . 209 GLU N . 27242 1 271 . 1 1 210 210 GLU H H 1 8.16 0.02 . 1 . . . . . 210 GLU H . 27242 1 272 . 1 1 210 210 GLU CA C 13 54.0 0.3 . 1 . . . . . 210 GLU CA . 27242 1 273 . 1 1 210 210 GLU CB C 13 31.1 0.3 . 1 . . . . . 210 GLU CB . 27242 1 274 . 1 1 210 210 GLU N N 15 120.0 0.3 . 1 . . . . . 210 GLU N . 27242 1 275 . 1 1 211 211 PHE H H 1 8.15 0.02 . 1 . . . . . 211 PHE H . 27242 1 276 . 1 1 211 211 PHE CA C 13 55.0 0.3 . 1 . . . . . 211 PHE CA . 27242 1 277 . 1 1 211 211 PHE CB C 13 38.1 0.3 . 1 . . . . . 211 PHE CB . 27242 1 278 . 1 1 211 211 PHE N N 15 120.7 0.3 . 1 . . . . . 211 PHE N . 27242 1 279 . 1 1 212 212 THR H H 1 8.60 0.02 . 1 . . . . . 212 THR H . 27242 1 280 . 1 1 212 212 THR CA C 13 60.2 0.3 . 1 . . . . . 212 THR CA . 27242 1 281 . 1 1 212 212 THR CB C 13 70.5 0.3 . 1 . . . . . 212 THR CB . 27242 1 282 . 1 1 212 212 THR N N 15 115.7 0.3 . 1 . . . . . 212 THR N . 27242 1 283 . 1 1 213 213 ILE H H 1 8.83 0.02 . 1 . . . . . 213 ILE H . 27242 1 284 . 1 1 213 213 ILE CA C 13 59.0 0.3 . 1 . . . . . 213 ILE CA . 27242 1 285 . 1 1 213 213 ILE CB C 13 40.1 0.3 . 1 . . . . . 213 ILE CB . 27242 1 286 . 1 1 213 213 ILE N N 15 120.0 0.3 . 1 . . . . . 213 ILE N . 27242 1 287 . 1 1 214 214 ASP H H 1 8.36 0.02 . 1 . . . . . 214 ASP H . 27242 1 288 . 1 1 214 214 ASP CA C 13 53.2 0.3 . 1 . . . . . 214 ASP CA . 27242 1 289 . 1 1 214 214 ASP CB C 13 41.9 0.3 . 1 . . . . . 214 ASP CB . 27242 1 290 . 1 1 214 214 ASP N N 15 123.4 0.3 . 1 . . . . . 214 ASP N . 27242 1 291 . 1 1 215 215 VAL H H 1 8.49 0.02 . 1 . . . . . 215 VAL H . 27242 1 292 . 1 1 215 215 VAL N N 15 119.3 0.3 . 1 . . . . . 215 VAL N . 27242 1 293 . 1 1 217 217 PHE H H 1 8.80 0.02 . 1 . . . . . 217 PHE H . 27242 1 294 . 1 1 217 217 PHE CA C 13 57.5 0.3 . 1 . . . . . 217 PHE CA . 27242 1 295 . 1 1 217 217 PHE CB C 13 38.2 0.3 . 1 . . . . . 217 PHE CB . 27242 1 296 . 1 1 217 217 PHE N N 15 127.8 0.3 . 1 . . . . . 217 PHE N . 27242 1 297 . 1 1 218 218 PRO CA C 13 61.8 0.3 . 1 . . . . . 218 PRO CA . 27242 1 298 . 1 1 218 218 PRO CB C 13 31.3 0.3 . 1 . . . . . 218 PRO CB . 27242 1 299 . 1 1 219 219 GLU H H 1 8.77 0.02 . 1 . . . . . 219 GLU H . 27242 1 300 . 1 1 219 219 GLU CA C 13 58.8 0.3 . 1 . . . . . 219 GLU CA . 27242 1 301 . 1 1 219 219 GLU CB C 13 28.6 0.3 . 1 . . . . . 219 GLU CB . 27242 1 302 . 1 1 219 219 GLU N N 15 123.4 0.3 . 1 . . . . . 219 GLU N . 27242 1 303 . 1 1 220 220 GLU H H 1 8.10 0.02 . 1 . . . . . 220 GLU H . 27242 1 304 . 1 1 220 220 GLU CA C 13 54.8 0.3 . 1 . . . . . 220 GLU CA . 27242 1 305 . 1 1 220 220 GLU CB C 13 27.3 0.3 . 1 . . . . . 220 GLU CB . 27242 1 306 . 1 1 220 220 GLU N N 15 115.4 0.3 . 1 . . . . . 220 GLU N . 27242 1 307 . 1 1 221 221 TYR H H 1 7.34 0.02 . 1 . . . . . 221 TYR H . 27242 1 308 . 1 1 221 221 TYR CA C 13 58.7 0.3 . 1 . . . . . 221 TYR CA . 27242 1 309 . 1 1 221 221 TYR CB C 13 39.2 0.3 . 1 . . . . . 221 TYR CB . 27242 1 310 . 1 1 221 221 TYR N N 15 122.4 0.3 . 1 . . . . . 221 TYR N . 27242 1 311 . 1 1 222 222 HIS H H 1 6.76 0.02 . 1 . . . . . 222 HIS H . 27242 1 312 . 1 1 222 222 HIS N N 15 120.9 0.3 . 1 . . . . . 222 HIS N . 27242 1 313 . 1 1 223 223 ALA H H 1 5.49 0.02 . 1 . . . . . 223 ALA H . 27242 1 314 . 1 1 223 223 ALA N N 15 122.9 0.3 . 1 . . . . . 223 ALA N . 27242 1 315 . 1 1 224 224 GLU H H 1 8.82 0.02 . 1 . . . . . 224 GLU H . 27242 1 316 . 1 1 224 224 GLU CA C 13 59.1 0.3 . 1 . . . . . 224 GLU CA . 27242 1 317 . 1 1 224 224 GLU CB C 13 28.3 0.3 . 1 . . . . . 224 GLU CB . 27242 1 318 . 1 1 224 224 GLU N N 15 127.1 0.3 . 1 . . . . . 224 GLU N . 27242 1 319 . 1 1 225 225 ASN H H 1 8.61 0.02 . 1 . . . . . 225 ASN H . 27242 1 320 . 1 1 225 225 ASN CA C 13 53.8 0.3 . 1 . . . . . 225 ASN CA . 27242 1 321 . 1 1 225 225 ASN CB C 13 36.1 0.3 . 1 . . . . . 225 ASN CB . 27242 1 322 . 1 1 225 225 ASN N N 15 113.3 0.3 . 1 . . . . . 225 ASN N . 27242 1 323 . 1 1 226 226 LEU H H 1 6.94 0.02 . 1 . . . . . 226 LEU H . 27242 1 324 . 1 1 226 226 LEU N N 15 117.7 0.3 . 1 . . . . . 226 LEU N . 27242 1 325 . 1 1 227 227 LYS H H 1 6.90 0.02 . 1 . . . . . 227 LYS H . 27242 1 326 . 1 1 227 227 LYS CA C 13 57.7 0.3 . 1 . . . . . 227 LYS CA . 27242 1 327 . 1 1 227 227 LYS CB C 13 31.2 0.3 . 1 . . . . . 227 LYS CB . 27242 1 328 . 1 1 227 227 LYS N N 15 117.7 0.3 . 1 . . . . . 227 LYS N . 27242 1 329 . 1 1 228 228 GLY H H 1 7.06 0.02 . 1 . . . . . 228 GLY H . 27242 1 330 . 1 1 228 228 GLY CA C 13 45.5 0.3 . 1 . . . . . 228 GLY CA . 27242 1 331 . 1 1 228 228 GLY N N 15 111.6 0.3 . 1 . . . . . 228 GLY N . 27242 1 332 . 1 1 229 229 LYS H H 1 7.76 0.02 . 1 . . . . . 229 LYS H . 27242 1 333 . 1 1 229 229 LYS CA C 13 55.1 0.3 . 1 . . . . . 229 LYS CA . 27242 1 334 . 1 1 229 229 LYS CB C 13 31.9 0.3 . 1 . . . . . 229 LYS CB . 27242 1 335 . 1 1 229 229 LYS N N 15 119.7 0.3 . 1 . . . . . 229 LYS N . 27242 1 336 . 1 1 230 230 ALA H H 1 8.20 0.02 . 1 . . . . . 230 ALA H . 27242 1 337 . 1 1 230 230 ALA CA C 13 51.2 0.3 . 1 . . . . . 230 ALA CA . 27242 1 338 . 1 1 230 230 ALA CB C 13 17.8 0.3 . 1 . . . . . 230 ALA CB . 27242 1 339 . 1 1 230 230 ALA N N 15 124.1 0.3 . 1 . . . . . 230 ALA N . 27242 1 340 . 1 1 231 231 ALA H H 1 9.16 0.02 . 1 . . . . . 231 ALA H . 27242 1 341 . 1 1 231 231 ALA CA C 13 49.8 0.3 . 1 . . . . . 231 ALA CA . 27242 1 342 . 1 1 231 231 ALA CB C 13 23.0 0.3 . 1 . . . . . 231 ALA CB . 27242 1 343 . 1 1 231 231 ALA N N 15 127.0 0.3 . 1 . . . . . 231 ALA N . 27242 1 344 . 1 1 232 232 LYS H H 1 8.54 0.02 . 1 . . . . . 232 LYS H . 27242 1 345 . 1 1 232 232 LYS CA C 13 53.6 0.3 . 1 . . . . . 232 LYS CA . 27242 1 346 . 1 1 232 232 LYS CB C 13 34.6 0.3 . 1 . . . . . 232 LYS CB . 27242 1 347 . 1 1 232 232 LYS N N 15 121.0 0.3 . 1 . . . . . 232 LYS N . 27242 1 348 . 1 1 233 233 PHE H H 1 9.01 0.02 . 1 . . . . . 233 PHE H . 27242 1 349 . 1 1 233 233 PHE N N 15 119.3 0.3 . 1 . . . . . 233 PHE N . 27242 1 350 . 1 1 234 234 ALA H H 1 8.45 0.02 . 1 . . . . . 234 ALA H . 27242 1 351 . 1 1 234 234 ALA CA C 13 51.1 0.3 . 1 . . . . . 234 ALA CA . 27242 1 352 . 1 1 234 234 ALA CB C 13 17.7 0.3 . 1 . . . . . 234 ALA CB . 27242 1 353 . 1 1 234 234 ALA N N 15 128.2 0.3 . 1 . . . . . 234 ALA N . 27242 1 354 . 1 1 235 235 ILE H H 1 9.01 0.02 . 1 . . . . . 235 ILE H . 27242 1 355 . 1 1 235 235 ILE CA C 13 58.0 0.3 . 1 . . . . . 235 ILE CA . 27242 1 356 . 1 1 235 235 ILE CB C 13 37.1 0.3 . 1 . . . . . 235 ILE CB . 27242 1 357 . 1 1 235 235 ILE N N 15 126.7 0.3 . 1 . . . . . 235 ILE N . 27242 1 358 . 1 1 236 236 ASN H H 1 8.46 0.02 . 1 . . . . . 236 ASN H . 27242 1 359 . 1 1 236 236 ASN CA C 13 51.4 0.3 . 1 . . . . . 236 ASN CA . 27242 1 360 . 1 1 236 236 ASN CB C 13 39.3 0.3 . 1 . . . . . 236 ASN CB . 27242 1 361 . 1 1 236 236 ASN N N 15 124.5 0.3 . 1 . . . . . 236 ASN N . 27242 1 362 . 1 1 237 237 LEU H H 1 8.48 0.02 . 1 . . . . . 237 LEU H . 27242 1 363 . 1 1 237 237 LEU CA C 13 54.0 0.3 . 1 . . . . . 237 LEU CA . 27242 1 364 . 1 1 237 237 LEU CB C 13 41.5 0.3 . 1 . . . . . 237 LEU CB . 27242 1 365 . 1 1 237 237 LEU N N 15 127.8 0.3 . 1 . . . . . 237 LEU N . 27242 1 366 . 1 1 238 238 LYS H H 1 8.57 0.02 . 1 . . . . . 238 LYS H . 27242 1 367 . 1 1 238 238 LYS CA C 13 57.8 0.3 . 1 . . . . . 238 LYS CA . 27242 1 368 . 1 1 238 238 LYS CB C 13 32.1 0.3 . 1 . . . . . 238 LYS CB . 27242 1 369 . 1 1 238 238 LYS N N 15 127.7 0.3 . 1 . . . . . 238 LYS N . 27242 1 370 . 1 1 239 239 LYS H H 1 7.47 0.02 . 1 . . . . . 239 LYS H . 27242 1 371 . 1 1 239 239 LYS CA C 13 56.1 0.3 . 1 . . . . . 239 LYS CA . 27242 1 372 . 1 1 239 239 LYS CB C 13 35.1 0.3 . 1 . . . . . 239 LYS CB . 27242 1 373 . 1 1 239 239 LYS N N 15 118.1 0.3 . 1 . . . . . 239 LYS N . 27242 1 374 . 1 1 240 240 VAL H H 1 9.05 0.02 . 1 . . . . . 240 VAL H . 27242 1 375 . 1 1 240 240 VAL CA C 13 61.7 0.3 . 1 . . . . . 240 VAL CA . 27242 1 376 . 1 1 240 240 VAL CB C 13 33.4 0.3 . 1 . . . . . 240 VAL CB . 27242 1 377 . 1 1 240 240 VAL N N 15 126.7 0.3 . 1 . . . . . 240 VAL N . 27242 1 378 . 1 1 241 241 GLU H H 1 9.25 0.02 . 1 . . . . . 241 GLU H . 27242 1 379 . 1 1 241 241 GLU CA C 13 53.6 0.3 . 1 . . . . . 241 GLU CA . 27242 1 380 . 1 1 241 241 GLU CB C 13 35.5 0.3 . 1 . . . . . 241 GLU CB . 27242 1 381 . 1 1 241 241 GLU N N 15 125.2 0.3 . 1 . . . . . 241 GLU N . 27242 1 382 . 1 1 242 242 GLU H H 1 9.40 0.02 . 1 . . . . . 242 GLU H . 27242 1 383 . 1 1 242 242 GLU CA C 13 52.4 0.3 . 1 . . . . . 242 GLU CA . 27242 1 384 . 1 1 242 242 GLU CB C 13 32.7 0.3 . 1 . . . . . 242 GLU CB . 27242 1 385 . 1 1 242 242 GLU N N 15 118.7 0.3 . 1 . . . . . 242 GLU N . 27242 1 386 . 1 1 247 247 GLU CA C 13 52.9 0.3 . 1 . . . . . 247 GLU CA . 27242 1 387 . 1 1 247 247 GLU CB C 13 29.6 0.3 . 1 . . . . . 247 GLU CB . 27242 1 388 . 1 1 248 248 LEU H H 1 8.67 0.02 . 1 . . . . . 248 LEU H . 27242 1 389 . 1 1 248 248 LEU CA C 13 55.1 0.3 . 1 . . . . . 248 LEU CA . 27242 1 390 . 1 1 248 248 LEU CB C 13 38.3 0.3 . 1 . . . . . 248 LEU CB . 27242 1 391 . 1 1 248 248 LEU N N 15 124.9 0.3 . 1 . . . . . 248 LEU N . 27242 1 392 . 1 1 249 249 THR H H 1 7.63 0.02 . 1 . . . . . 249 THR H . 27242 1 393 . 1 1 249 249 THR CA C 13 59.4 0.3 . 1 . . . . . 249 THR CA . 27242 1 394 . 1 1 249 249 THR CB C 13 71.1 0.3 . 1 . . . . . 249 THR CB . 27242 1 395 . 1 1 249 249 THR N N 15 115.4 0.3 . 1 . . . . . 249 THR N . 27242 1 396 . 1 1 250 250 ALA H H 1 8.75 0.02 . 1 . . . . . 250 ALA H . 27242 1 397 . 1 1 250 250 ALA N N 15 123.3 0.3 . 1 . . . . . 250 ALA N . 27242 1 398 . 1 1 251 251 GLU H H 1 8.20 0.02 . 1 . . . . . 251 GLU H . 27242 1 399 . 1 1 251 251 GLU N N 15 115.5 0.3 . 1 . . . . . 251 GLU N . 27242 1 400 . 1 1 258 258 VAL CA C 13 59.0 0.3 . 1 . . . . . 258 VAL CA . 27242 1 401 . 1 1 258 258 VAL CB C 13 28.3 0.3 . 1 . . . . . 258 VAL CB . 27242 1 402 . 1 1 259 259 GLU H H 1 8.38 0.02 . 1 . . . . . 259 GLU H . 27242 1 403 . 1 1 259 259 GLU CA C 13 61.3 0.3 . 1 . . . . . 259 GLU CA . 27242 1 404 . 1 1 259 259 GLU CB C 13 29.0 0.3 . 1 . . . . . 259 GLU CB . 27242 1 405 . 1 1 259 259 GLU N N 15 128.5 0.3 . 1 . . . . . 259 GLU N . 27242 1 406 . 1 1 260 260 ASP H H 1 8.14 0.02 . 1 . . . . . 260 ASP H . 27242 1 407 . 1 1 260 260 ASP CA C 13 52.7 0.3 . 1 . . . . . 260 ASP CA . 27242 1 408 . 1 1 260 260 ASP CB C 13 39.3 0.3 . 1 . . . . . 260 ASP CB . 27242 1 409 . 1 1 260 260 ASP N N 15 114.9 0.3 . 1 . . . . . 260 ASP N . 27242 1 410 . 1 1 261 261 GLY H H 1 7.83 0.02 . 1 . . . . . 261 GLY H . 27242 1 411 . 1 1 261 261 GLY N N 15 107.1 0.3 . 1 . . . . . 261 GLY N . 27242 1 412 . 1 1 263 263 VAL H H 1 8.71 0.02 . 1 . . . . . 263 VAL H . 27242 1 413 . 1 1 263 263 VAL N N 15 125.3 0.3 . 1 . . . . . 263 VAL N . 27242 1 414 . 1 1 264 264 GLU H H 1 8.83 0.02 . 1 . . . . . 264 GLU H . 27242 1 415 . 1 1 264 264 GLU N N 15 120.2 0.3 . 1 . . . . . 264 GLU N . 27242 1 416 . 1 1 265 265 GLY H H 1 8.26 0.02 . 1 . . . . . 265 GLY H . 27242 1 417 . 1 1 265 265 GLY N N 15 110.6 0.3 . 1 . . . . . 265 GLY N . 27242 1 418 . 1 1 271 271 ARG H H 1 7.59 0.02 . 1 . . . . . 271 ARG H . 27242 1 419 . 1 1 271 271 ARG N N 15 123.1 0.3 . 1 . . . . . 271 ARG N . 27242 1 420 . 1 1 278 278 LEU H H 1 8.69 0.02 . 1 . . . . . 278 LEU H . 27242 1 421 . 1 1 278 278 LEU N N 15 122.2 0.3 . 1 . . . . . 278 LEU N . 27242 1 422 . 1 1 280 280 SER H H 1 7.45 0.02 . 1 . . . . . 280 SER H . 27242 1 423 . 1 1 280 280 SER N N 15 114.3 0.3 . 1 . . . . . 280 SER N . 27242 1 424 . 1 1 281 281 ALA H H 1 8.08 0.02 . 1 . . . . . 281 ALA H . 27242 1 425 . 1 1 281 281 ALA N N 15 125.4 0.3 . 1 . . . . . 281 ALA N . 27242 1 426 . 1 1 290 290 ALA H H 1 8.20 0.02 . 1 . . . . . 290 ALA H . 27242 1 427 . 1 1 290 290 ALA N N 15 124.2 0.3 . 1 . . . . . 290 ALA N . 27242 1 428 . 1 1 291 291 ILE H H 1 8.26 0.02 . 1 . . . . . 291 ILE H . 27242 1 429 . 1 1 291 291 ILE N N 15 116.4 0.3 . 1 . . . . . 291 ILE N . 27242 1 430 . 1 1 293 293 GLY H H 1 7.95 0.02 . 1 . . . . . 293 GLY H . 27242 1 431 . 1 1 293 293 GLY N N 15 105.0 0.3 . 1 . . . . . 293 GLY N . 27242 1 432 . 1 1 299 299 ASP H H 1 8.22 0.02 . 1 . . . . . 299 ASP H . 27242 1 433 . 1 1 299 299 ASP N N 15 122.8 0.3 . 1 . . . . . 299 ASP N . 27242 1 434 . 1 1 300 300 ILE H H 1 7.61 0.02 . 1 . . . . . 300 ILE H . 27242 1 435 . 1 1 300 300 ILE N N 15 120.3 0.3 . 1 . . . . . 300 ILE N . 27242 1 436 . 1 1 310 310 GLU H H 1 7.55 0.02 . 1 . . . . . 310 GLU H . 27242 1 437 . 1 1 310 310 GLU N N 15 123.4 0.3 . 1 . . . . . 310 GLU N . 27242 1 438 . 1 1 313 313 VAL H H 1 7.30 0.02 . 1 . . . . . 313 VAL H . 27242 1 439 . 1 1 313 313 VAL N N 15 120.9 0.3 . 1 . . . . . 313 VAL N . 27242 1 440 . 1 1 324 324 GLY H H 1 8.06 0.02 . 1 . . . . . 324 GLY H . 27242 1 441 . 1 1 324 324 GLY N N 15 108.6 0.3 . 1 . . . . . 324 GLY N . 27242 1 442 . 1 1 326 326 GLU H H 1 8.43 0.02 . 1 . . . . . 326 GLU H . 27242 1 443 . 1 1 326 326 GLU N N 15 121.5 0.3 . 1 . . . . . 326 GLU N . 27242 1 444 . 1 1 329 329 ALA H H 1 7.95 0.02 . 1 . . . . . 329 ALA H . 27242 1 445 . 1 1 329 329 ALA CA C 13 53.6 0.3 . 1 . . . . . 329 ALA CA . 27242 1 446 . 1 1 329 329 ALA CB C 13 17.4 0.3 . 1 . . . . . 329 ALA CB . 27242 1 447 . 1 1 329 329 ALA N N 15 123.1 0.3 . 1 . . . . . 329 ALA N . 27242 1 448 . 1 1 330 330 LEU H H 1 7.67 0.02 . 1 . . . . . 330 LEU H . 27242 1 449 . 1 1 330 330 LEU N N 15 116.9 0.3 . 1 . . . . . 330 LEU N . 27242 1 450 . 1 1 332 332 LEU H H 1 7.54 0.02 . 1 . . . . . 332 LEU H . 27242 1 451 . 1 1 332 332 LEU N N 15 123.9 0.3 . 1 . . . . . 332 LEU N . 27242 1 452 . 1 1 334 334 ARG H H 1 8.62 0.02 . 1 . . . . . 334 ARG H . 27242 1 453 . 1 1 334 334 ARG N N 15 122.9 0.3 . 1 . . . . . 334 ARG N . 27242 1 454 . 1 1 335 335 GLU H H 1 9.38 0.02 . 1 . . . . . 335 GLU H . 27242 1 455 . 1 1 335 335 GLU N N 15 117.6 0.3 . 1 . . . . . 335 GLU N . 27242 1 456 . 1 1 336 336 LEU H H 1 7.38 0.02 . 1 . . . . . 336 LEU H . 27242 1 457 . 1 1 336 336 LEU N N 15 119.0 0.3 . 1 . . . . . 336 LEU N . 27242 1 458 . 1 1 338 338 GLU H H 1 7.26 0.02 . 1 . . . . . 338 GLU H . 27242 1 459 . 1 1 338 338 GLU N N 15 120.0 0.3 . 1 . . . . . 338 GLU N . 27242 1 460 . 1 1 339 339 GLU H H 1 8.57 0.02 . 1 . . . . . 339 GLU H . 27242 1 461 . 1 1 339 339 GLU N N 15 120.2 0.3 . 1 . . . . . 339 GLU N . 27242 1 462 . 1 1 343 343 ARG H H 1 7.60 0.02 . 1 . . . . . 343 ARG H . 27242 1 463 . 1 1 343 343 ARG N N 15 118.3 0.3 . 1 . . . . . 343 ARG N . 27242 1 464 . 1 1 344 344 ARG H H 1 7.83 0.02 . 1 . . . . . 344 ARG H . 27242 1 465 . 1 1 344 344 ARG N N 15 117.7 0.3 . 1 . . . . . 344 ARG N . 27242 1 466 . 1 1 348 348 GLY H H 1 7.84 0.02 . 1 . . . . . 348 GLY H . 27242 1 467 . 1 1 348 348 GLY N N 15 105.4 0.3 . 1 . . . . . 348 GLY N . 27242 1 468 . 1 1 350 350 LEU H H 1 8.47 0.02 . 1 . . . . . 350 LEU H . 27242 1 469 . 1 1 350 350 LEU N N 15 120.0 0.3 . 1 . . . . . 350 LEU N . 27242 1 470 . 1 1 351 351 LEU H H 1 9.08 0.02 . 1 . . . . . 351 LEU H . 27242 1 471 . 1 1 351 351 LEU N N 15 118.4 0.3 . 1 . . . . . 351 LEU N . 27242 1 472 . 1 1 352 352 GLY H H 1 8.03 0.02 . 1 . . . . . 352 GLY H . 27242 1 473 . 1 1 352 352 GLY N N 15 107.1 0.3 . 1 . . . . . 352 GLY N . 27242 1 474 . 1 1 353 353 GLU H H 1 7.66 0.02 . 1 . . . . . 353 GLU H . 27242 1 475 . 1 1 353 353 GLU N N 15 123.6 0.3 . 1 . . . . . 353 GLU N . 27242 1 476 . 1 1 357 357 THR H H 1 8.56 0.02 . 1 . . . . . 357 THR H . 27242 1 477 . 1 1 357 357 THR N N 15 112.4 0.3 . 1 . . . . . 357 THR N . 27242 1 478 . 1 1 358 358 ASN H H 1 7.30 0.02 . 1 . . . . . 358 ASN H . 27242 1 479 . 1 1 358 358 ASN N N 15 116.6 0.3 . 1 . . . . . 358 ASN N . 27242 1 480 . 1 1 359 359 GLU H H 1 7.60 0.02 . 1 . . . . . 359 GLU H . 27242 1 481 . 1 1 359 359 GLU N N 15 118.7 0.3 . 1 . . . . . 359 GLU N . 27242 1 482 . 1 1 360 360 LEU H H 1 7.96 0.02 . 1 . . . . . 360 LEU H . 27242 1 483 . 1 1 360 360 LEU CA C 13 54.3 0.3 . 1 . . . . . 360 LEU CA . 27242 1 484 . 1 1 360 360 LEU CB C 13 41.2 0.3 . 1 . . . . . 360 LEU CB . 27242 1 485 . 1 1 360 360 LEU N N 15 116.5 0.3 . 1 . . . . . 360 LEU N . 27242 1 486 . 1 1 361 361 LYS H H 1 8.21 0.02 . 1 . . . . . 361 LYS H . 27242 1 487 . 1 1 361 361 LYS CA C 13 53.5 0.3 . 1 . . . . . 361 LYS CA . 27242 1 488 . 1 1 361 361 LYS CB C 13 33.9 0.3 . 1 . . . . . 361 LYS CB . 27242 1 489 . 1 1 361 361 LYS N N 15 120.8 0.3 . 1 . . . . . 361 LYS N . 27242 1 490 . 1 1 362 362 ALA H H 1 8.74 0.02 . 1 . . . . . 362 ALA H . 27242 1 491 . 1 1 362 362 ALA CA C 13 52.1 0.3 . 1 . . . . . 362 ALA CA . 27242 1 492 . 1 1 362 362 ALA CB C 13 17.2 0.3 . 1 . . . . . 362 ALA CB . 27242 1 493 . 1 1 362 362 ALA N N 15 126.3 0.3 . 1 . . . . . 362 ALA N . 27242 1 494 . 1 1 364 364 GLU H H 1 8.91 0.02 . 1 . . . . . 364 GLU H . 27242 1 495 . 1 1 364 364 GLU N N 15 127.3 0.3 . 1 . . . . . 364 GLU N . 27242 1 496 . 1 1 369 369 GLY H H 1 7.83 0.02 . 1 . . . . . 369 GLY H . 27242 1 497 . 1 1 369 369 GLY N N 15 106.7 0.3 . 1 . . . . . 369 GLY N . 27242 1 498 . 1 1 376 376 SER H H 1 7.70 0.02 . 1 . . . . . 376 SER H . 27242 1 499 . 1 1 376 376 SER CA C 13 60.0 0.3 . 1 . . . . . 376 SER CA . 27242 1 500 . 1 1 376 376 SER N N 15 112.8 0.3 . 1 . . . . . 376 SER N . 27242 1 501 . 1 1 377 377 ALA H H 1 7.20 0.02 . 1 . . . . . 377 ALA H . 27242 1 502 . 1 1 377 377 ALA N N 15 122.7 0.3 . 1 . . . . . 377 ALA N . 27242 1 503 . 1 1 378 378 TYR H H 1 7.71 0.02 . 1 . . . . . 378 TYR H . 27242 1 504 . 1 1 378 378 TYR N N 15 119.0 0.3 . 1 . . . . . 378 TYR N . 27242 1 505 . 1 1 383 383 GLU H H 1 7.34 0.02 . 1 . . . . . 383 GLU H . 27242 1 506 . 1 1 383 383 GLU N N 15 119.4 0.3 . 1 . . . . . 383 GLU N . 27242 1 507 . 1 1 385 385 ILE H H 1 8.06 0.02 . 1 . . . . . 385 ILE H . 27242 1 508 . 1 1 385 385 ILE N N 15 120.8 0.3 . 1 . . . . . 385 ILE N . 27242 1 509 . 1 1 387 387 PHE H H 1 7.90 0.02 . 1 . . . . . 387 PHE H . 27242 1 510 . 1 1 387 387 PHE N N 15 121.5 0.3 . 1 . . . . . 387 PHE N . 27242 1 511 . 1 1 388 388 TYR H H 1 8.49 0.02 . 1 . . . . . 388 TYR H . 27242 1 512 . 1 1 388 388 TYR N N 15 119.4 0.3 . 1 . . . . . 388 TYR N . 27242 1 513 . 1 1 391 391 ASN H H 1 7.35 0.02 . 1 . . . . . 391 ASN H . 27242 1 514 . 1 1 391 391 ASN N N 15 121.9 0.3 . 1 . . . . . 391 ASN N . 27242 1 515 . 1 1 400 400 ASN H H 1 7.59 0.02 . 1 . . . . . 400 ASN H . 27242 1 516 . 1 1 400 400 ASN N N 15 117.8 0.3 . 1 . . . . . 400 ASN N . 27242 1 517 . 1 1 407 407 ALA H H 1 8.74 0.02 . 1 . . . . . 407 ALA H . 27242 1 518 . 1 1 407 407 ALA N N 15 125.1 0.3 . 1 . . . . . 407 ALA N . 27242 1 519 . 1 1 411 411 VAL H H 1 7.67 0.02 . 1 . . . . . 411 VAL H . 27242 1 520 . 1 1 411 411 VAL N N 15 120.5 0.3 . 1 . . . . . 411 VAL N . 27242 1 521 . 1 1 415 415 ALA H H 1 7.03 0.02 . 1 . . . . . 415 ALA H . 27242 1 522 . 1 1 415 415 ALA N N 15 121.5 0.3 . 1 . . . . . 415 ALA N . 27242 1 523 . 1 1 416 416 LYS CA C 13 55.0 0.3 . 1 . . . . . 416 LYS CA . 27242 1 524 . 1 1 416 416 LYS CB C 13 30.8 0.3 . 1 . . . . . 416 LYS CB . 27242 1 525 . 1 1 417 417 VAL H H 1 8.28 0.02 . 1 . . . . . 417 VAL H . 27242 1 526 . 1 1 417 417 VAL CA C 13 60.8 0.3 . 1 . . . . . 417 VAL CA . 27242 1 527 . 1 1 417 417 VAL CB C 13 31.8 0.3 . 1 . . . . . 417 VAL CB . 27242 1 528 . 1 1 417 417 VAL N N 15 129.3 0.3 . 1 . . . . . 417 VAL N . 27242 1 529 . 1 1 418 418 THR H H 1 8.79 0.02 . 1 . . . . . 418 THR H . 27242 1 530 . 1 1 418 418 THR N N 15 123.6 0.3 . 1 . . . . . 418 THR N . 27242 1 531 . 1 1 419 419 GLU H H 1 8.62 0.02 . 1 . . . . . 419 GLU H . 27242 1 532 . 1 1 419 419 GLU N N 15 124.1 0.3 . 1 . . . . . 419 GLU N . 27242 1 533 . 1 1 420 420 LYS H H 1 8.17 0.02 . 1 . . . . . 420 LYS H . 27242 1 534 . 1 1 420 420 LYS CA C 13 54.2 0.3 . 1 . . . . . 420 LYS CA . 27242 1 535 . 1 1 420 420 LYS CB C 13 34.7 0.3 . 1 . . . . . 420 LYS CB . 27242 1 536 . 1 1 420 420 LYS N N 15 124.3 0.3 . 1 . . . . . 420 LYS N . 27242 1 537 . 1 1 421 421 GLU H H 1 9.04 0.02 . 1 . . . . . 421 GLU H . 27242 1 538 . 1 1 421 421 GLU CA C 13 56.9 0.3 . 1 . . . . . 421 GLU CA . 27242 1 539 . 1 1 421 421 GLU CB C 13 28.4 0.3 . 1 . . . . . 421 GLU CB . 27242 1 540 . 1 1 421 421 GLU N N 15 130.7 0.3 . 1 . . . . . 421 GLU N . 27242 1 541 . 1 1 422 422 THR H H 1 8.35 0.02 . 1 . . . . . 422 THR H . 27242 1 542 . 1 1 422 422 THR CA C 13 59.3 0.3 . 1 . . . . . 422 THR CA . 27242 1 543 . 1 1 422 422 THR CB C 13 69.6 0.3 . 1 . . . . . 422 THR CB . 27242 1 544 . 1 1 422 422 THR N N 15 120.9 0.3 . 1 . . . . . 422 THR N . 27242 1 545 . 1 1 423 423 THR H H 1 8.39 0.02 . 1 . . . . . 423 THR H . 27242 1 546 . 1 1 423 423 THR CA C 13 59.4 0.3 . 1 . . . . . 423 THR CA . 27242 1 547 . 1 1 423 423 THR CB C 13 71.3 0.3 . 1 . . . . . 423 THR CB . 27242 1 548 . 1 1 423 423 THR N N 15 113.0 0.3 . 1 . . . . . 423 THR N . 27242 1 549 . 1 1 424 424 PHE H H 1 9.77 0.02 . 1 . . . . . 424 PHE H . 27242 1 550 . 1 1 424 424 PHE N N 15 124.8 0.3 . 1 . . . . . 424 PHE N . 27242 1 551 . 1 1 425 425 ASN H H 1 9.30 0.02 . 1 . . . . . 425 ASN H . 27242 1 552 . 1 1 425 425 ASN N N 15 116.3 0.3 . 1 . . . . . 425 ASN N . 27242 1 553 . 1 1 429 429 ASN H H 1 7.50 0.02 . 1 . . . . . 429 ASN H . 27242 1 554 . 1 1 429 429 ASN N N 15 117.3 0.3 . 1 . . . . . 429 ASN N . 27242 1 555 . 1 1 430 430 GLN CA C 13 55.5 0.3 . 1 . . . . . 430 GLN CA . 27242 1 556 . 1 1 430 430 GLN CB C 13 28.0 0.3 . 1 . . . . . 430 GLN CB . 27242 1 557 . 1 1 431 431 GLN H H 1 8.22 0.02 . 1 . . . . . 431 GLN H . 27242 1 558 . 1 1 431 431 GLN CA C 13 55.2 0.3 . 1 . . . . . 431 GLN CA . 27242 1 559 . 1 1 431 431 GLN CB C 13 28.4 0.3 . 1 . . . . . 431 GLN CB . 27242 1 560 . 1 1 431 431 GLN N N 15 122.3 0.3 . 1 . . . . . 431 GLN N . 27242 1 561 . 1 1 432 432 ALA H H 1 7.77 0.02 . 1 . . . . . 432 ALA H . 27242 1 562 . 1 1 432 432 ALA CA C 13 53.3 0.3 . 1 . . . . . 432 ALA CA . 27242 1 563 . 1 1 432 432 ALA CB C 13 19.1 0.3 . 1 . . . . . 432 ALA CB . 27242 1 564 . 1 1 432 432 ALA N N 15 131.0 0.3 . 1 . . . . . 432 ALA N . 27242 1 stop_ save_