data_52767 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52767 _Entry.Title ; An extended backbone assignment of the monomeric DrBphP CBDPHY construct in the Pr state. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-12-19 _Entry.Accession_date 2024-12-19 _Entry.Last_release_date 2024-12-19 _Entry.Original_release_date 2024-12-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; An extended backbone assignment of the monomeric DrBphP CBDPHY construct in the Pr state. Assignment of the additional residues in the protein core was achieved using refolded protein as a sample. ; _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 Lidija Vrhovac . S. . . 52767 2 Maria Levkovets . . . . 52767 3 Vladislav Orekhov . . . . 52767 4 Sebastian Westenhoff . . . . 52767 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Uppsala University, Department of Chemistry - BMC, Biochemistry, Westenhoff group' . 52767 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52767 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 881 52767 '15N chemical shifts' 277 52767 '1H chemical shifts' 277 52767 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 1 . . 2025-08-14 . original BMRB . 52767 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27783 'the Pr state of monomeric PAS-GAF-PHY' 52767 BMRB 27784 'the Pfr state of monomeric PAS-GAF-PHY' 52767 BMRB 52766 'the monomeric DrBphP CBDPHY construct in the Pfr state' 52767 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52767 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Refolding of the Deinococcus Radiodurans phytochrome photosensory module and an extended backbone resonance assignment by solution NMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'PLOS ONE' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 Lidija Vrhovac . S. . . 52767 1 2 Maria Levkovets . . . . 52767 1 3 Vladislav Orekhov . . . . 52767 1 4 Sebastian Westenhoff . . . . 52767 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52767 _Assembly.ID 1 _Assembly.Name DrBphP_CBDPHY_Pr_extended _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 57000 _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 PAS-GAF-PHY 1 $entity_1 . . yes 'native (refolded)' no no . . . 52767 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52767 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSRDPLPFFPPLYLGGPEIT TENCEREPIHIPGSIQPHGA LLTADGHSGEVLQMSLNAAT FLGQEPTVLRGQTLAALLPE QWPALQAALPPGCPDALQYR ATLDWPAAGHLSLTVHRVGE LLILEFEPTEAWDSTGPHAL RNAMSALESAPNLRALAEVA TQTVRELTGFDRVMLYKFAP DATGEVIAEARREGLHAFLG HRFPASDIPAQARALYTRHL LRLTADTRAAAVPLDPVLNP QTNAPTPLGGAVLRATSPMH MQYLRNMGVGSSLSVSVVVG GQLWGLIACHHQTPYVLPPD LRTTLEYLGRELSEQVQVKE AADVAAFRQSLREHHARVAL AAAHSLSPHDTLSDPALDLL GLMRAGGLILRFEGRWQTLG EVPPAPAVDALLAWLETQPG ALVQTDALGQLWPAGADLAP SAAGLLAISVGEGWSECLVW LRPELRLEVAWGGATPDQAK DDLGPRHSFDTYLEEKRGYA EPWHPGEIEEAQDLRDTLTG ALEHHHHHH ; _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 509 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 57000 _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 . 52767 1 2 . SER . 52767 1 3 . ARG . 52767 1 4 . ASP . 52767 1 5 . PRO . 52767 1 6 . LEU . 52767 1 7 . PRO . 52767 1 8 . PHE . 52767 1 9 . PHE . 52767 1 10 . PRO . 52767 1 11 . PRO . 52767 1 12 . LEU . 52767 1 13 . TYR . 52767 1 14 . LEU . 52767 1 15 . GLY . 52767 1 16 . GLY . 52767 1 17 . PRO . 52767 1 18 . GLU . 52767 1 19 . ILE . 52767 1 20 . THR . 52767 1 21 . THR . 52767 1 22 . GLU . 52767 1 23 . ASN . 52767 1 24 . CYS . 52767 1 25 . GLU . 52767 1 26 . ARG . 52767 1 27 . GLU . 52767 1 28 . PRO . 52767 1 29 . ILE . 52767 1 30 . HIS . 52767 1 31 . ILE . 52767 1 32 . PRO . 52767 1 33 . GLY . 52767 1 34 . SER . 52767 1 35 . ILE . 52767 1 36 . GLN . 52767 1 37 . PRO . 52767 1 38 . HIS . 52767 1 39 . GLY . 52767 1 40 . ALA . 52767 1 41 . LEU . 52767 1 42 . LEU . 52767 1 43 . THR . 52767 1 44 . ALA . 52767 1 45 . ASP . 52767 1 46 . GLY . 52767 1 47 . HIS . 52767 1 48 . SER . 52767 1 49 . GLY . 52767 1 50 . GLU . 52767 1 51 . VAL . 52767 1 52 . LEU . 52767 1 53 . GLN . 52767 1 54 . MET . 52767 1 55 . SER . 52767 1 56 . LEU . 52767 1 57 . ASN . 52767 1 58 . ALA . 52767 1 59 . ALA . 52767 1 60 . THR . 52767 1 61 . PHE . 52767 1 62 . LEU . 52767 1 63 . GLY . 52767 1 64 . GLN . 52767 1 65 . GLU . 52767 1 66 . PRO . 52767 1 67 . THR . 52767 1 68 . VAL . 52767 1 69 . LEU . 52767 1 70 . ARG . 52767 1 71 . GLY . 52767 1 72 . GLN . 52767 1 73 . THR . 52767 1 74 . LEU . 52767 1 75 . ALA . 52767 1 76 . ALA . 52767 1 77 . LEU . 52767 1 78 . LEU . 52767 1 79 . PRO . 52767 1 80 . GLU . 52767 1 81 . GLN . 52767 1 82 . TRP . 52767 1 83 . PRO . 52767 1 84 . ALA . 52767 1 85 . LEU . 52767 1 86 . GLN . 52767 1 87 . ALA . 52767 1 88 . ALA . 52767 1 89 . LEU . 52767 1 90 . PRO . 52767 1 91 . PRO . 52767 1 92 . GLY . 52767 1 93 . CYS . 52767 1 94 . PRO . 52767 1 95 . ASP . 52767 1 96 . ALA . 52767 1 97 . LEU . 52767 1 98 . GLN . 52767 1 99 . TYR . 52767 1 100 . ARG . 52767 1 101 . ALA . 52767 1 102 . THR . 52767 1 103 . LEU . 52767 1 104 . ASP . 52767 1 105 . TRP . 52767 1 106 . PRO . 52767 1 107 . ALA . 52767 1 108 . ALA . 52767 1 109 . GLY . 52767 1 110 . HIS . 52767 1 111 . LEU . 52767 1 112 . SER . 52767 1 113 . LEU . 52767 1 114 . THR . 52767 1 115 . VAL . 52767 1 116 . HIS . 52767 1 117 . ARG . 52767 1 118 . VAL . 52767 1 119 . GLY . 52767 1 120 . GLU . 52767 1 121 . LEU . 52767 1 122 . LEU . 52767 1 123 . ILE . 52767 1 124 . LEU . 52767 1 125 . GLU . 52767 1 126 . PHE . 52767 1 127 . GLU . 52767 1 128 . PRO . 52767 1 129 . THR . 52767 1 130 . GLU . 52767 1 131 . ALA . 52767 1 132 . TRP . 52767 1 133 . ASP . 52767 1 134 . SER . 52767 1 135 . THR . 52767 1 136 . GLY . 52767 1 137 . PRO . 52767 1 138 . HIS . 52767 1 139 . ALA . 52767 1 140 . LEU . 52767 1 141 . ARG . 52767 1 142 . ASN . 52767 1 143 . ALA . 52767 1 144 . MET . 52767 1 145 . SER . 52767 1 146 . ALA . 52767 1 147 . LEU . 52767 1 148 . GLU . 52767 1 149 . SER . 52767 1 150 . ALA . 52767 1 151 . PRO . 52767 1 152 . ASN . 52767 1 153 . LEU . 52767 1 154 . ARG . 52767 1 155 . ALA . 52767 1 156 . LEU . 52767 1 157 . ALA . 52767 1 158 . GLU . 52767 1 159 . VAL . 52767 1 160 . ALA . 52767 1 161 . THR . 52767 1 162 . GLN . 52767 1 163 . THR . 52767 1 164 . VAL . 52767 1 165 . ARG . 52767 1 166 . GLU . 52767 1 167 . LEU . 52767 1 168 . THR . 52767 1 169 . GLY . 52767 1 170 . PHE . 52767 1 171 . ASP . 52767 1 172 . ARG . 52767 1 173 . VAL . 52767 1 174 . MET . 52767 1 175 . LEU . 52767 1 176 . TYR . 52767 1 177 . LYS . 52767 1 178 . PHE . 52767 1 179 . ALA . 52767 1 180 . PRO . 52767 1 181 . ASP . 52767 1 182 . ALA . 52767 1 183 . THR . 52767 1 184 . GLY . 52767 1 185 . GLU . 52767 1 186 . VAL . 52767 1 187 . ILE . 52767 1 188 . ALA . 52767 1 189 . GLU . 52767 1 190 . ALA . 52767 1 191 . ARG . 52767 1 192 . ARG . 52767 1 193 . GLU . 52767 1 194 . GLY . 52767 1 195 . LEU . 52767 1 196 . HIS . 52767 1 197 . ALA . 52767 1 198 . PHE . 52767 1 199 . LEU . 52767 1 200 . GLY . 52767 1 201 . HIS . 52767 1 202 . ARG . 52767 1 203 . PHE . 52767 1 204 . PRO . 52767 1 205 . ALA . 52767 1 206 . SER . 52767 1 207 . ASP . 52767 1 208 . ILE . 52767 1 209 . PRO . 52767 1 210 . ALA . 52767 1 211 . GLN . 52767 1 212 . ALA . 52767 1 213 . ARG . 52767 1 214 . ALA . 52767 1 215 . LEU . 52767 1 216 . TYR . 52767 1 217 . THR . 52767 1 218 . ARG . 52767 1 219 . HIS . 52767 1 220 . LEU . 52767 1 221 . LEU . 52767 1 222 . ARG . 52767 1 223 . LEU . 52767 1 224 . THR . 52767 1 225 . ALA . 52767 1 226 . ASP . 52767 1 227 . THR . 52767 1 228 . ARG . 52767 1 229 . ALA . 52767 1 230 . ALA . 52767 1 231 . ALA . 52767 1 232 . VAL . 52767 1 233 . PRO . 52767 1 234 . LEU . 52767 1 235 . ASP . 52767 1 236 . PRO . 52767 1 237 . VAL . 52767 1 238 . LEU . 52767 1 239 . ASN . 52767 1 240 . PRO . 52767 1 241 . GLN . 52767 1 242 . THR . 52767 1 243 . ASN . 52767 1 244 . ALA . 52767 1 245 . PRO . 52767 1 246 . THR . 52767 1 247 . PRO . 52767 1 248 . LEU . 52767 1 249 . GLY . 52767 1 250 . GLY . 52767 1 251 . ALA . 52767 1 252 . VAL . 52767 1 253 . LEU . 52767 1 254 . ARG . 52767 1 255 . ALA . 52767 1 256 . THR . 52767 1 257 . SER . 52767 1 258 . PRO . 52767 1 259 . MET . 52767 1 260 . HIS . 52767 1 261 . MET . 52767 1 262 . GLN . 52767 1 263 . TYR . 52767 1 264 . LEU . 52767 1 265 . ARG . 52767 1 266 . ASN . 52767 1 267 . MET . 52767 1 268 . GLY . 52767 1 269 . VAL . 52767 1 270 . GLY . 52767 1 271 . SER . 52767 1 272 . SER . 52767 1 273 . LEU . 52767 1 274 . SER . 52767 1 275 . VAL . 52767 1 276 . SER . 52767 1 277 . VAL . 52767 1 278 . VAL . 52767 1 279 . VAL . 52767 1 280 . GLY . 52767 1 281 . GLY . 52767 1 282 . GLN . 52767 1 283 . LEU . 52767 1 284 . TRP . 52767 1 285 . GLY . 52767 1 286 . LEU . 52767 1 287 . ILE . 52767 1 288 . ALA . 52767 1 289 . CYS . 52767 1 290 . HIS . 52767 1 291 . HIS . 52767 1 292 . GLN . 52767 1 293 . THR . 52767 1 294 . PRO . 52767 1 295 . TYR . 52767 1 296 . VAL . 52767 1 297 . LEU . 52767 1 298 . PRO . 52767 1 299 . PRO . 52767 1 300 . ASP . 52767 1 301 . LEU . 52767 1 302 . ARG . 52767 1 303 . THR . 52767 1 304 . THR . 52767 1 305 . LEU . 52767 1 306 . GLU . 52767 1 307 . TYR . 52767 1 308 . LEU . 52767 1 309 . GLY . 52767 1 310 . ARG . 52767 1 311 . GLU . 52767 1 312 . LEU . 52767 1 313 . SER . 52767 1 314 . GLU . 52767 1 315 . GLN . 52767 1 316 . VAL . 52767 1 317 . GLN . 52767 1 318 . VAL . 52767 1 319 . LYS . 52767 1 320 . GLU . 52767 1 321 . ALA . 52767 1 322 . ALA . 52767 1 323 . ASP . 52767 1 324 . VAL . 52767 1 325 . ALA . 52767 1 326 . ALA . 52767 1 327 . PHE . 52767 1 328 . ARG . 52767 1 329 . GLN . 52767 1 330 . SER . 52767 1 331 . LEU . 52767 1 332 . ARG . 52767 1 333 . GLU . 52767 1 334 . HIS . 52767 1 335 . HIS . 52767 1 336 . ALA . 52767 1 337 . ARG . 52767 1 338 . VAL . 52767 1 339 . ALA . 52767 1 340 . LEU . 52767 1 341 . ALA . 52767 1 342 . ALA . 52767 1 343 . ALA . 52767 1 344 . HIS . 52767 1 345 . SER . 52767 1 346 . LEU . 52767 1 347 . SER . 52767 1 348 . PRO . 52767 1 349 . HIS . 52767 1 350 . ASP . 52767 1 351 . THR . 52767 1 352 . LEU . 52767 1 353 . SER . 52767 1 354 . ASP . 52767 1 355 . PRO . 52767 1 356 . ALA . 52767 1 357 . LEU . 52767 1 358 . ASP . 52767 1 359 . LEU . 52767 1 360 . LEU . 52767 1 361 . GLY . 52767 1 362 . LEU . 52767 1 363 . MET . 52767 1 364 . ARG . 52767 1 365 . ALA . 52767 1 366 . GLY . 52767 1 367 . GLY . 52767 1 368 . LEU . 52767 1 369 . ILE . 52767 1 370 . LEU . 52767 1 371 . ARG . 52767 1 372 . PHE . 52767 1 373 . GLU . 52767 1 374 . GLY . 52767 1 375 . ARG . 52767 1 376 . TRP . 52767 1 377 . GLN . 52767 1 378 . THR . 52767 1 379 . LEU . 52767 1 380 . GLY . 52767 1 381 . GLU . 52767 1 382 . VAL . 52767 1 383 . PRO . 52767 1 384 . PRO . 52767 1 385 . ALA . 52767 1 386 . PRO . 52767 1 387 . ALA . 52767 1 388 . VAL . 52767 1 389 . ASP . 52767 1 390 . ALA . 52767 1 391 . LEU . 52767 1 392 . LEU . 52767 1 393 . ALA . 52767 1 394 . TRP . 52767 1 395 . LEU . 52767 1 396 . GLU . 52767 1 397 . THR . 52767 1 398 . GLN . 52767 1 399 . PRO . 52767 1 400 . GLY . 52767 1 401 . ALA . 52767 1 402 . LEU . 52767 1 403 . VAL . 52767 1 404 . GLN . 52767 1 405 . THR . 52767 1 406 . ASP . 52767 1 407 . ALA . 52767 1 408 . LEU . 52767 1 409 . GLY . 52767 1 410 . GLN . 52767 1 411 . LEU . 52767 1 412 . TRP . 52767 1 413 . PRO . 52767 1 414 . ALA . 52767 1 415 . GLY . 52767 1 416 . ALA . 52767 1 417 . ASP . 52767 1 418 . LEU . 52767 1 419 . ALA . 52767 1 420 . PRO . 52767 1 421 . SER . 52767 1 422 . ALA . 52767 1 423 . ALA . 52767 1 424 . GLY . 52767 1 425 . LEU . 52767 1 426 . LEU . 52767 1 427 . ALA . 52767 1 428 . ILE . 52767 1 429 . SER . 52767 1 430 . VAL . 52767 1 431 . GLY . 52767 1 432 . GLU . 52767 1 433 . GLY . 52767 1 434 . TRP . 52767 1 435 . SER . 52767 1 436 . GLU . 52767 1 437 . CYS . 52767 1 438 . LEU . 52767 1 439 . VAL . 52767 1 440 . TRP . 52767 1 441 . LEU . 52767 1 442 . ARG . 52767 1 443 . PRO . 52767 1 444 . GLU . 52767 1 445 . LEU . 52767 1 446 . ARG . 52767 1 447 . LEU . 52767 1 448 . GLU . 52767 1 449 . VAL . 52767 1 450 . ALA . 52767 1 451 . TRP . 52767 1 452 . GLY . 52767 1 453 . GLY . 52767 1 454 . ALA . 52767 1 455 . THR . 52767 1 456 . PRO . 52767 1 457 . ASP . 52767 1 458 . GLN . 52767 1 459 . ALA . 52767 1 460 . LYS . 52767 1 461 . ASP . 52767 1 462 . ASP . 52767 1 463 . LEU . 52767 1 464 . GLY . 52767 1 465 . PRO . 52767 1 466 . ARG . 52767 1 467 . HIS . 52767 1 468 . SER . 52767 1 469 . PHE . 52767 1 470 . ASP . 52767 1 471 . THR . 52767 1 472 . TYR . 52767 1 473 . LEU . 52767 1 474 . GLU . 52767 1 475 . GLU . 52767 1 476 . LYS . 52767 1 477 . ARG . 52767 1 478 . GLY . 52767 1 479 . TYR . 52767 1 480 . ALA . 52767 1 481 . GLU . 52767 1 482 . PRO . 52767 1 483 . TRP . 52767 1 484 . HIS . 52767 1 485 . PRO . 52767 1 486 . GLY . 52767 1 487 . GLU . 52767 1 488 . ILE . 52767 1 489 . GLU . 52767 1 490 . GLU . 52767 1 491 . ALA . 52767 1 492 . GLN . 52767 1 493 . ASP . 52767 1 494 . LEU . 52767 1 495 . ARG . 52767 1 496 . ASP . 52767 1 497 . THR . 52767 1 498 . LEU . 52767 1 499 . THR . 52767 1 500 . GLY . 52767 1 501 . ALA . 52767 1 502 . LEU . 52767 1 503 . GLU . 52767 1 504 . HIS . 52767 1 505 . HIS . 52767 1 506 . HIS . 52767 1 507 . HIS . 52767 1 508 . HIS . 52767 1 509 . HIS . 52767 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 52767 1 . SER 2 2 52767 1 . ARG 3 3 52767 1 . ASP 4 4 52767 1 . PRO 5 5 52767 1 . LEU 6 6 52767 1 . PRO 7 7 52767 1 . PHE 8 8 52767 1 . PHE 9 9 52767 1 . PRO 10 10 52767 1 . PRO 11 11 52767 1 . LEU 12 12 52767 1 . TYR 13 13 52767 1 . LEU 14 14 52767 1 . GLY 15 15 52767 1 . GLY 16 16 52767 1 . PRO 17 17 52767 1 . GLU 18 18 52767 1 . ILE 19 19 52767 1 . THR 20 20 52767 1 . THR 21 21 52767 1 . GLU 22 22 52767 1 . ASN 23 23 52767 1 . CYS 24 24 52767 1 . GLU 25 25 52767 1 . ARG 26 26 52767 1 . GLU 27 27 52767 1 . PRO 28 28 52767 1 . ILE 29 29 52767 1 . HIS 30 30 52767 1 . ILE 31 31 52767 1 . PRO 32 32 52767 1 . GLY 33 33 52767 1 . SER 34 34 52767 1 . ILE 35 35 52767 1 . GLN 36 36 52767 1 . PRO 37 37 52767 1 . HIS 38 38 52767 1 . GLY 39 39 52767 1 . ALA 40 40 52767 1 . LEU 41 41 52767 1 . LEU 42 42 52767 1 . THR 43 43 52767 1 . ALA 44 44 52767 1 . ASP 45 45 52767 1 . GLY 46 46 52767 1 . HIS 47 47 52767 1 . SER 48 48 52767 1 . GLY 49 49 52767 1 . GLU 50 50 52767 1 . VAL 51 51 52767 1 . LEU 52 52 52767 1 . GLN 53 53 52767 1 . MET 54 54 52767 1 . SER 55 55 52767 1 . LEU 56 56 52767 1 . ASN 57 57 52767 1 . ALA 58 58 52767 1 . ALA 59 59 52767 1 . THR 60 60 52767 1 . PHE 61 61 52767 1 . LEU 62 62 52767 1 . GLY 63 63 52767 1 . GLN 64 64 52767 1 . GLU 65 65 52767 1 . PRO 66 66 52767 1 . THR 67 67 52767 1 . VAL 68 68 52767 1 . LEU 69 69 52767 1 . ARG 70 70 52767 1 . GLY 71 71 52767 1 . GLN 72 72 52767 1 . THR 73 73 52767 1 . LEU 74 74 52767 1 . ALA 75 75 52767 1 . ALA 76 76 52767 1 . LEU 77 77 52767 1 . LEU 78 78 52767 1 . PRO 79 79 52767 1 . GLU 80 80 52767 1 . GLN 81 81 52767 1 . TRP 82 82 52767 1 . PRO 83 83 52767 1 . ALA 84 84 52767 1 . LEU 85 85 52767 1 . GLN 86 86 52767 1 . ALA 87 87 52767 1 . ALA 88 88 52767 1 . LEU 89 89 52767 1 . PRO 90 90 52767 1 . PRO 91 91 52767 1 . GLY 92 92 52767 1 . CYS 93 93 52767 1 . PRO 94 94 52767 1 . ASP 95 95 52767 1 . ALA 96 96 52767 1 . LEU 97 97 52767 1 . GLN 98 98 52767 1 . TYR 99 99 52767 1 . ARG 100 100 52767 1 . ALA 101 101 52767 1 . THR 102 102 52767 1 . LEU 103 103 52767 1 . ASP 104 104 52767 1 . TRP 105 105 52767 1 . PRO 106 106 52767 1 . ALA 107 107 52767 1 . ALA 108 108 52767 1 . GLY 109 109 52767 1 . HIS 110 110 52767 1 . LEU 111 111 52767 1 . SER 112 112 52767 1 . LEU 113 113 52767 1 . THR 114 114 52767 1 . VAL 115 115 52767 1 . HIS 116 116 52767 1 . ARG 117 117 52767 1 . VAL 118 118 52767 1 . GLY 119 119 52767 1 . GLU 120 120 52767 1 . LEU 121 121 52767 1 . LEU 122 122 52767 1 . ILE 123 123 52767 1 . LEU 124 124 52767 1 . GLU 125 125 52767 1 . PHE 126 126 52767 1 . GLU 127 127 52767 1 . PRO 128 128 52767 1 . THR 129 129 52767 1 . GLU 130 130 52767 1 . ALA 131 131 52767 1 . TRP 132 132 52767 1 . ASP 133 133 52767 1 . SER 134 134 52767 1 . THR 135 135 52767 1 . GLY 136 136 52767 1 . PRO 137 137 52767 1 . HIS 138 138 52767 1 . ALA 139 139 52767 1 . LEU 140 140 52767 1 . ARG 141 141 52767 1 . ASN 142 142 52767 1 . ALA 143 143 52767 1 . MET 144 144 52767 1 . SER 145 145 52767 1 . ALA 146 146 52767 1 . LEU 147 147 52767 1 . GLU 148 148 52767 1 . SER 149 149 52767 1 . ALA 150 150 52767 1 . PRO 151 151 52767 1 . ASN 152 152 52767 1 . LEU 153 153 52767 1 . ARG 154 154 52767 1 . ALA 155 155 52767 1 . LEU 156 156 52767 1 . ALA 157 157 52767 1 . GLU 158 158 52767 1 . VAL 159 159 52767 1 . ALA 160 160 52767 1 . THR 161 161 52767 1 . GLN 162 162 52767 1 . THR 163 163 52767 1 . VAL 164 164 52767 1 . ARG 165 165 52767 1 . GLU 166 166 52767 1 . LEU 167 167 52767 1 . THR 168 168 52767 1 . GLY 169 169 52767 1 . PHE 170 170 52767 1 . ASP 171 171 52767 1 . ARG 172 172 52767 1 . VAL 173 173 52767 1 . MET 174 174 52767 1 . LEU 175 175 52767 1 . TYR 176 176 52767 1 . LYS 177 177 52767 1 . PHE 178 178 52767 1 . ALA 179 179 52767 1 . PRO 180 180 52767 1 . ASP 181 181 52767 1 . ALA 182 182 52767 1 . THR 183 183 52767 1 . GLY 184 184 52767 1 . GLU 185 185 52767 1 . VAL 186 186 52767 1 . ILE 187 187 52767 1 . ALA 188 188 52767 1 . GLU 189 189 52767 1 . ALA 190 190 52767 1 . ARG 191 191 52767 1 . ARG 192 192 52767 1 . GLU 193 193 52767 1 . GLY 194 194 52767 1 . LEU 195 195 52767 1 . HIS 196 196 52767 1 . ALA 197 197 52767 1 . PHE 198 198 52767 1 . LEU 199 199 52767 1 . GLY 200 200 52767 1 . HIS 201 201 52767 1 . ARG 202 202 52767 1 . PHE 203 203 52767 1 . PRO 204 204 52767 1 . ALA 205 205 52767 1 . SER 206 206 52767 1 . ASP 207 207 52767 1 . ILE 208 208 52767 1 . PRO 209 209 52767 1 . ALA 210 210 52767 1 . GLN 211 211 52767 1 . ALA 212 212 52767 1 . ARG 213 213 52767 1 . ALA 214 214 52767 1 . LEU 215 215 52767 1 . TYR 216 216 52767 1 . THR 217 217 52767 1 . ARG 218 218 52767 1 . HIS 219 219 52767 1 . LEU 220 220 52767 1 . LEU 221 221 52767 1 . ARG 222 222 52767 1 . LEU 223 223 52767 1 . THR 224 224 52767 1 . ALA 225 225 52767 1 . ASP 226 226 52767 1 . THR 227 227 52767 1 . ARG 228 228 52767 1 . ALA 229 229 52767 1 . ALA 230 230 52767 1 . ALA 231 231 52767 1 . VAL 232 232 52767 1 . PRO 233 233 52767 1 . LEU 234 234 52767 1 . ASP 235 235 52767 1 . PRO 236 236 52767 1 . VAL 237 237 52767 1 . LEU 238 238 52767 1 . ASN 239 239 52767 1 . PRO 240 240 52767 1 . GLN 241 241 52767 1 . THR 242 242 52767 1 . ASN 243 243 52767 1 . ALA 244 244 52767 1 . PRO 245 245 52767 1 . THR 246 246 52767 1 . PRO 247 247 52767 1 . LEU 248 248 52767 1 . GLY 249 249 52767 1 . GLY 250 250 52767 1 . ALA 251 251 52767 1 . VAL 252 252 52767 1 . LEU 253 253 52767 1 . ARG 254 254 52767 1 . ALA 255 255 52767 1 . THR 256 256 52767 1 . SER 257 257 52767 1 . PRO 258 258 52767 1 . MET 259 259 52767 1 . HIS 260 260 52767 1 . MET 261 261 52767 1 . GLN 262 262 52767 1 . TYR 263 263 52767 1 . LEU 264 264 52767 1 . ARG 265 265 52767 1 . ASN 266 266 52767 1 . MET 267 267 52767 1 . GLY 268 268 52767 1 . VAL 269 269 52767 1 . GLY 270 270 52767 1 . SER 271 271 52767 1 . SER 272 272 52767 1 . LEU 273 273 52767 1 . SER 274 274 52767 1 . VAL 275 275 52767 1 . SER 276 276 52767 1 . VAL 277 277 52767 1 . VAL 278 278 52767 1 . VAL 279 279 52767 1 . GLY 280 280 52767 1 . GLY 281 281 52767 1 . GLN 282 282 52767 1 . LEU 283 283 52767 1 . TRP 284 284 52767 1 . GLY 285 285 52767 1 . LEU 286 286 52767 1 . ILE 287 287 52767 1 . ALA 288 288 52767 1 . CYS 289 289 52767 1 . HIS 290 290 52767 1 . HIS 291 291 52767 1 . GLN 292 292 52767 1 . THR 293 293 52767 1 . PRO 294 294 52767 1 . TYR 295 295 52767 1 . VAL 296 296 52767 1 . LEU 297 297 52767 1 . PRO 298 298 52767 1 . PRO 299 299 52767 1 . ASP 300 300 52767 1 . LEU 301 301 52767 1 . ARG 302 302 52767 1 . THR 303 303 52767 1 . THR 304 304 52767 1 . LEU 305 305 52767 1 . GLU 306 306 52767 1 . TYR 307 307 52767 1 . LEU 308 308 52767 1 . GLY 309 309 52767 1 . ARG 310 310 52767 1 . GLU 311 311 52767 1 . LEU 312 312 52767 1 . SER 313 313 52767 1 . GLU 314 314 52767 1 . GLN 315 315 52767 1 . VAL 316 316 52767 1 . GLN 317 317 52767 1 . VAL 318 318 52767 1 . LYS 319 319 52767 1 . GLU 320 320 52767 1 . ALA 321 321 52767 1 . ALA 322 322 52767 1 . ASP 323 323 52767 1 . VAL 324 324 52767 1 . ALA 325 325 52767 1 . ALA 326 326 52767 1 . PHE 327 327 52767 1 . ARG 328 328 52767 1 . GLN 329 329 52767 1 . SER 330 330 52767 1 . LEU 331 331 52767 1 . ARG 332 332 52767 1 . GLU 333 333 52767 1 . HIS 334 334 52767 1 . HIS 335 335 52767 1 . ALA 336 336 52767 1 . ARG 337 337 52767 1 . VAL 338 338 52767 1 . ALA 339 339 52767 1 . LEU 340 340 52767 1 . ALA 341 341 52767 1 . ALA 342 342 52767 1 . ALA 343 343 52767 1 . HIS 344 344 52767 1 . SER 345 345 52767 1 . LEU 346 346 52767 1 . SER 347 347 52767 1 . PRO 348 348 52767 1 . HIS 349 349 52767 1 . ASP 350 350 52767 1 . THR 351 351 52767 1 . LEU 352 352 52767 1 . SER 353 353 52767 1 . ASP 354 354 52767 1 . PRO 355 355 52767 1 . ALA 356 356 52767 1 . LEU 357 357 52767 1 . ASP 358 358 52767 1 . LEU 359 359 52767 1 . LEU 360 360 52767 1 . GLY 361 361 52767 1 . LEU 362 362 52767 1 . MET 363 363 52767 1 . ARG 364 364 52767 1 . ALA 365 365 52767 1 . GLY 366 366 52767 1 . GLY 367 367 52767 1 . LEU 368 368 52767 1 . ILE 369 369 52767 1 . LEU 370 370 52767 1 . ARG 371 371 52767 1 . PHE 372 372 52767 1 . GLU 373 373 52767 1 . GLY 374 374 52767 1 . ARG 375 375 52767 1 . TRP 376 376 52767 1 . GLN 377 377 52767 1 . THR 378 378 52767 1 . LEU 379 379 52767 1 . GLY 380 380 52767 1 . GLU 381 381 52767 1 . VAL 382 382 52767 1 . PRO 383 383 52767 1 . PRO 384 384 52767 1 . ALA 385 385 52767 1 . PRO 386 386 52767 1 . ALA 387 387 52767 1 . VAL 388 388 52767 1 . ASP 389 389 52767 1 . ALA 390 390 52767 1 . LEU 391 391 52767 1 . LEU 392 392 52767 1 . ALA 393 393 52767 1 . TRP 394 394 52767 1 . LEU 395 395 52767 1 . GLU 396 396 52767 1 . THR 397 397 52767 1 . GLN 398 398 52767 1 . PRO 399 399 52767 1 . GLY 400 400 52767 1 . ALA 401 401 52767 1 . LEU 402 402 52767 1 . VAL 403 403 52767 1 . GLN 404 404 52767 1 . THR 405 405 52767 1 . ASP 406 406 52767 1 . ALA 407 407 52767 1 . LEU 408 408 52767 1 . GLY 409 409 52767 1 . GLN 410 410 52767 1 . LEU 411 411 52767 1 . TRP 412 412 52767 1 . PRO 413 413 52767 1 . ALA 414 414 52767 1 . GLY 415 415 52767 1 . ALA 416 416 52767 1 . ASP 417 417 52767 1 . LEU 418 418 52767 1 . ALA 419 419 52767 1 . PRO 420 420 52767 1 . SER 421 421 52767 1 . ALA 422 422 52767 1 . ALA 423 423 52767 1 . GLY 424 424 52767 1 . LEU 425 425 52767 1 . LEU 426 426 52767 1 . ALA 427 427 52767 1 . ILE 428 428 52767 1 . SER 429 429 52767 1 . VAL 430 430 52767 1 . GLY 431 431 52767 1 . GLU 432 432 52767 1 . GLY 433 433 52767 1 . TRP 434 434 52767 1 . SER 435 435 52767 1 . GLU 436 436 52767 1 . CYS 437 437 52767 1 . LEU 438 438 52767 1 . VAL 439 439 52767 1 . TRP 440 440 52767 1 . LEU 441 441 52767 1 . ARG 442 442 52767 1 . PRO 443 443 52767 1 . GLU 444 444 52767 1 . LEU 445 445 52767 1 . ARG 446 446 52767 1 . LEU 447 447 52767 1 . GLU 448 448 52767 1 . VAL 449 449 52767 1 . ALA 450 450 52767 1 . TRP 451 451 52767 1 . GLY 452 452 52767 1 . GLY 453 453 52767 1 . ALA 454 454 52767 1 . THR 455 455 52767 1 . PRO 456 456 52767 1 . ASP 457 457 52767 1 . GLN 458 458 52767 1 . ALA 459 459 52767 1 . LYS 460 460 52767 1 . ASP 461 461 52767 1 . ASP 462 462 52767 1 . LEU 463 463 52767 1 . GLY 464 464 52767 1 . PRO 465 465 52767 1 . ARG 466 466 52767 1 . HIS 467 467 52767 1 . SER 468 468 52767 1 . PHE 469 469 52767 1 . ASP 470 470 52767 1 . THR 471 471 52767 1 . TYR 472 472 52767 1 . LEU 473 473 52767 1 . GLU 474 474 52767 1 . GLU 475 475 52767 1 . LYS 476 476 52767 1 . ARG 477 477 52767 1 . GLY 478 478 52767 1 . TYR 479 479 52767 1 . ALA 480 480 52767 1 . GLU 481 481 52767 1 . PRO 482 482 52767 1 . TRP 483 483 52767 1 . HIS 484 484 52767 1 . PRO 485 485 52767 1 . GLY 486 486 52767 1 . GLU 487 487 52767 1 . ILE 488 488 52767 1 . GLU 489 489 52767 1 . GLU 490 490 52767 1 . ALA 491 491 52767 1 . GLN 492 492 52767 1 . ASP 493 493 52767 1 . LEU 494 494 52767 1 . ARG 495 495 52767 1 . ASP 496 496 52767 1 . THR 497 497 52767 1 . LEU 498 498 52767 1 . THR 499 499 52767 1 . GLY 500 500 52767 1 . ALA 501 501 52767 1 . LEU 502 502 52767 1 . GLU 503 503 52767 1 . HIS 504 504 52767 1 . HIS 505 505 52767 1 . HIS 506 506 52767 1 . HIS 507 507 52767 1 . HIS 508 508 52767 1 . HIS 509 509 52767 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52767 _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 . 1299 organism . 'Deinococcus radiodurans' 'Deinococcus radiodurans' . . Bacteria . Deinococcus radiodurans . . . . . . . . . . . . . 52767 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52767 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET21b . . . 52767 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52767 _Sample.ID 1 _Sample.Name DrBphP_CBDPHY_Pr_extended _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Phytochrome '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.6 . . mM . . . . 52767 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52767 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52767 1 4 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 52767 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 52767 _Sample_condition_list.ID 1 _Sample_condition_list.Name '900MHz, 45C' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.075 . M 52767 1 pH 6.9 . pH 52767 1 pressure 1 . atm 52767 1 temperature 318 . K 52767 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52767 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52767 1 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 52767 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '900MHz (blue)' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52767 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 1 2 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 1 4 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 1 5 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 1 6 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 1 7 '2D 1H-15N TROSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 1 8 '3D 1H-15N NOESY TROSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52767 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 52767 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DrBphP_CBDPHY_Pr_extended _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 na indirect 0.251449530 . . . . . 52767 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52767 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52767 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 52767 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'data_CBDPHY_Pr_final_v1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 52767 1 2 '3D HNCA' . . . 52767 1 3 '3D HNCACB' . . . 52767 1 4 '3D HN(CO)CA' . . . 52767 1 5 '3D HN(CO)CACB' . . . 52767 1 6 '3D HN(CA)CO' . . . 52767 1 7 '2D 1H-15N TROSY' . . . 52767 1 8 '3D 1H-15N NOESY TROSY' . . . 52767 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52767 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 32 32 PRO C C 13 179.296 . . . . . . . . 32 PRO C . 52767 1 2 . 1 . 1 32 32 PRO CA C 13 65.063 . . . . . . . . 32 PRO CA . 52767 1 3 . 1 . 1 32 32 PRO CB C 13 30.7315 0.0275 . . . . . . . 32 PRO CB . 52767 1 4 . 1 . 1 33 33 GLY H H 1 8.854 0.000 . . . . . . . 33 GLY H . 52767 1 5 . 1 . 1 33 33 GLY C C 13 172.189 0.04152910628 . . . . . . . 33 GLY C . 52767 1 6 . 1 . 1 33 33 GLY CA C 13 46.33616667 0.03290094563 . . . . . . . 33 GLY CA . 52767 1 7 . 1 . 1 33 33 GLY N N 15 110.16 0.0000023360155 . . . . . . . 33 GLY N . 52767 1 8 . 1 . 1 34 34 SER H H 1 7.175 0.0000000842937 . . . . . . . 34 SER H . 52767 1 9 . 1 . 1 34 34 SER C C 13 172.7843333 0.02280838064 . . . . . . . 34 SER C . 52767 1 10 . 1 . 1 34 34 SER CA C 13 56.123 0.04552654903 . . . . . . . 34 SER CA . 52767 1 11 . 1 . 1 34 34 SER CB C 13 65.13533333 0.04643513995 . . . . . . . 34 SER CB . 52767 1 12 . 1 . 1 34 34 SER N N 15 108.793 0.000 . . . . . . . 34 SER N . 52767 1 13 . 1 . 1 35 35 ILE H H 1 9.005 0.000 . . . . . . . 35 ILE H . 52767 1 14 . 1 . 1 35 35 ILE C C 13 175.421 0.02219609549 . . . . . . . 35 ILE C . 52767 1 15 . 1 . 1 35 35 ILE CA C 13 58.422 0.007788881027 . . . . . . . 35 ILE CA . 52767 1 16 . 1 . 1 35 35 ILE CB C 13 43.12866667 0.04401767322 . . . . . . . 35 ILE CB . 52767 1 17 . 1 . 1 35 35 ILE N N 15 111.117 0.0000019073486 . . . . . . . 35 ILE N . 52767 1 18 . 1 . 1 36 36 GLN H H 1 9.093 0.0000002064765 . . . . . . . 36 GLN H . 52767 1 19 . 1 . 1 36 36 GLN CA C 13 53.911 . . . . . . . . 36 GLN CA . 52767 1 20 . 1 . 1 36 36 GLN CB C 13 29.65 . . . . . . . . 36 GLN CB . 52767 1 21 . 1 . 1 36 36 GLN N N 15 121.918 0.0000013486992 . . . . . . . 36 GLN N . 52767 1 22 . 1 . 1 37 37 PRO C C 13 176.781 . . . . . . . . 37 PRO C . 52767 1 23 . 1 . 1 37 37 PRO CA C 13 64.12 0.042 . . . . . . . 37 PRO CA . 52767 1 24 . 1 . 1 37 37 PRO CB C 13 31.284 0.043 . . . . . . . 37 PRO CB . 52767 1 25 . 1 . 1 38 38 HIS H H 1 7.7875 0.00433012702 . . . . . . . 38 HIS H . 52767 1 26 . 1 . 1 38 38 HIS C C 13 173.7765 0.002500000059 . . . . . . . 38 HIS C . 52767 1 27 . 1 . 1 38 38 HIS CA C 13 57.23564501 0.03888366894 . . . . . . . 38 HIS CA . 52767 1 28 . 1 . 1 38 38 HIS CB C 13 29.28975436 0.03859569512 . . . . . . . 38 HIS CB . 52767 1 29 . 1 . 1 38 38 HIS N N 15 117.27 0.0000019073486 . . . . . . . 38 HIS N . 52767 1 30 . 1 . 1 39 39 GLY H H 1 6.879445921 0.002630255714 . . . . . . . 39 GLY H . 52767 1 31 . 1 . 1 39 39 GLY C C 13 169.0973187 0.01905127663 . . . . . . . 39 GLY C . 52767 1 32 . 1 . 1 39 39 GLY CA C 13 43.65033333 0.03173676453 . . . . . . . 39 GLY CA . 52767 1 33 . 1 . 1 39 39 GLY N N 15 106.605 0.0000013486992 . . . . . . . 39 GLY N . 52767 1 34 . 1 . 1 40 40 ALA H H 1 8.321739571 0.0007366053801 . . . . . . . 40 ALA H . 52767 1 35 . 1 . 1 40 40 ALA C C 13 174.0373333 0.01297005106 . . . . . . . 40 ALA C . 52767 1 36 . 1 . 1 40 40 ALA CA C 13 49.249 0.02515286598 . . . . . . . 40 ALA CA . 52767 1 37 . 1 . 1 40 40 ALA CB C 13 21.56733333 0.03056504903 . . . . . . . 40 ALA CB . 52767 1 38 . 1 . 1 40 40 ALA N N 15 116.586 0.0000019073486 . . . . . . . 40 ALA N . 52767 1 39 . 1 . 1 41 41 LEU H H 1 8.2 0.0000001685874 . . . . . . . 41 LEU H . 52767 1 40 . 1 . 1 41 41 LEU C C 13 174.762 0.00326598799 . . . . . . . 41 LEU C . 52767 1 41 . 1 . 1 41 41 LEU CA C 13 53.705 0.04400000001 . . . . . . . 41 LEU CA . 52767 1 42 . 1 . 1 41 41 LEU CB C 13 48.02133333 0.0253157834 . . . . . . . 41 LEU CB . 52767 1 43 . 1 . 1 41 41 LEU N N 15 122.192 0.0000013486992 . . . . . . . 41 LEU N . 52767 1 44 . 1 . 1 42 42 LEU H H 1 9.566561643 0.003805534768 . . . . . . . 42 LEU H . 52767 1 45 . 1 . 1 42 42 LEU C C 13 175.8733333 0.04000277768 . . . . . . . 42 LEU C . 52767 1 46 . 1 . 1 42 42 LEU CA C 13 53.35033333 0.04249967321 . . . . . . . 42 LEU CA . 52767 1 47 . 1 . 1 42 42 LEU CB C 13 46.05558306 0.03191945412 . . . . . . . 42 LEU CB . 52767 1 48 . 1 . 1 42 42 LEU N N 15 124.1060506 0.0001337798069 . . . . . . . 42 LEU N . 52767 1 49 . 1 . 1 43 43 THR H H 1 9.139 0.0000001685874 . . . . . . . 43 THR H . 52767 1 50 . 1 . 1 43 43 THR C C 13 174.0245721 0.03069890216 . . . . . . . 43 THR C . 52767 1 51 . 1 . 1 43 43 THR CA C 13 58.63733333 0.01887385021 . . . . . . . 43 THR CA . 52767 1 52 . 1 . 1 43 43 THR CB C 13 69.83233333 0.0358360464 . . . . . . . 43 THR CB . 52767 1 53 . 1 . 1 43 43 THR N N 15 111.937 0.0000013486992 . . . . . . . 43 THR N . 52767 1 54 . 1 . 1 44 44 ALA H H 1 9.493131646 0.0003723523675 . . . . . . . 44 ALA H . 52767 1 55 . 1 . 1 44 44 ALA C C 13 175.355 0.003265985206 . . . . . . . 44 ALA C . 52767 1 56 . 1 . 1 44 44 ALA CA C 13 49.453 0.03989987469 . . . . . . . 44 ALA CA . 52767 1 57 . 1 . 1 44 44 ALA CB C 13 23.10766667 0.04124991582 . . . . . . . 44 ALA CB . 52767 1 58 . 1 . 1 44 44 ALA N N 15 123.559 0.000 . . . . . . . 44 ALA N . 52767 1 59 . 1 . 1 45 45 ASP H H 1 8.942 0.000 . . . . . . . 45 ASP H . 52767 1 60 . 1 . 1 45 45 ASP C C 13 178.2613333 0.005436502394 . . . . . . . 45 ASP C . 52767 1 61 . 1 . 1 45 45 ASP CA C 13 55.42933333 0.04087650778 . . . . . . . 45 ASP CA . 52767 1 62 . 1 . 1 45 45 ASP CB C 13 43.794 0.02922327839 . . . . . . . 45 ASP CB . 52767 1 63 . 1 . 1 45 45 ASP N N 15 122.739 0.0000013486992 . . . . . . . 45 ASP N . 52767 1 64 . 1 . 1 46 46 GLY H H 1 9.003 0.000 . . . . . . . 46 GLY H . 52767 1 65 . 1 . 1 46 46 GLY C C 13 173.1563333 0.01114550193 . . . . . . . 46 GLY C . 52767 1 66 . 1 . 1 46 46 GLY CA C 13 46.22516667 0.04132560412 . . . . . . . 46 GLY CA . 52767 1 67 . 1 . 1 46 46 GLY N N 15 112.758 0.0000019073486 . . . . . . . 46 GLY N . 52767 1 68 . 1 . 1 47 47 HIS H H 1 9.19 0.000 . . . . . . . 47 HIS H . 52767 1 69 . 1 . 1 47 47 HIS C C 13 176.622 0.004082483596 . . . . . . . 47 HIS C . 52767 1 70 . 1 . 1 47 47 HIS CA C 13 57.56866667 0.009977753057 . . . . . . . 47 HIS CA . 52767 1 71 . 1 . 1 47 47 HIS CB C 13 30.72866667 0.04271091456 . . . . . . . 47 HIS CB . 52767 1 72 . 1 . 1 47 47 HIS N N 15 119.594 0.0000026973983 . . . . . . . 47 HIS N . 52767 1 73 . 1 . 1 48 48 SER H H 1 9.482 0.000 . . . . . . . 48 SER H . 52767 1 74 . 1 . 1 48 48 SER C C 13 177.0325 0.02149999996 . . . . . . . 48 SER C . 52767 1 75 . 1 . 1 48 48 SER CA C 13 58.31937195 0.02289326877 . . . . . . . 48 SER CA . 52767 1 76 . 1 . 1 48 48 SER CB C 13 64.62270625 0.03740668835 . . . . . . . 48 SER CB . 52767 1 77 . 1 . 1 48 48 SER N N 15 114.262 0.0000026973983 . . . . . . . 48 SER N . 52767 1 78 . 1 . 1 49 49 GLY H H 1 8.488558929 0.0007674724336 . . . . . . . 49 GLY H . 52767 1 79 . 1 . 1 49 49 GLY C C 13 173.9287275 0.0262189533 . . . . . . . 49 GLY C . 52767 1 80 . 1 . 1 49 49 GLY CA C 13 46.02516667 0.03996422011 . . . . . . . 49 GLY CA . 52767 1 81 . 1 . 1 49 49 GLY N N 15 111.527 0.0000019073486 . . . . . . . 49 GLY N . 52767 1 82 . 1 . 1 50 50 GLU H H 1 8.261987014 0.0000367309724 . . . . . . . 50 GLU H . 52767 1 83 . 1 . 1 50 50 GLU C C 13 176.104 0.02100000009 . . . . . . . 50 GLU C . 52767 1 84 . 1 . 1 50 50 GLU CA C 13 57.02433333 0.0354055865 . . . . . . . 50 GLU CA . 52767 1 85 . 1 . 1 50 50 GLU CB C 13 29.86133333 0.03302860713 . . . . . . . 50 GLU CB . 52767 1 86 . 1 . 1 50 50 GLU N N 15 121.781 0.000003015783 . . . . . . . 50 GLU N . 52767 1 87 . 1 . 1 51 51 VAL H H 1 8.838 0.000 . . . . . . . 51 VAL H . 52767 1 88 . 1 . 1 51 51 VAL C C 13 176.0213333 0.0189091395 . . . . . . . 51 VAL C . 52767 1 89 . 1 . 1 51 51 VAL CA C 13 64.29033333 0.03540558652 . . . . . . . 51 VAL CA . 52767 1 90 . 1 . 1 51 51 VAL CB C 13 30.80266667 0.02870927067 . . . . . . . 51 VAL CB . 52767 1 91 . 1 . 1 51 51 VAL N N 15 126.43 0.0000019073486 . . . . . . . 51 VAL N . 52767 1 92 . 1 . 1 52 52 LEU H H 1 9.374788853 0.0005972141986 . . . . . . . 52 LEU H . 52767 1 93 . 1 . 1 52 52 LEU C C 13 176.9214565 0.03145654994 . . . . . . . 52 LEU C . 52767 1 94 . 1 . 1 52 52 LEU CA C 13 55.4116454 0.03240715905 . . . . . . . 52 LEU CA . 52767 1 95 . 1 . 1 52 52 LEU CB C 13 43.29066667 0.05069078373 . . . . . . . 52 LEU CB . 52767 1 96 . 1 . 1 52 52 LEU N N 15 129.711 0.000 . . . . . . . 52 LEU N . 52767 1 97 . 1 . 1 53 53 GLN H H 1 7.707807513 0.0005092734142 . . . . . . . 53 GLN H . 52767 1 98 . 1 . 1 53 53 GLN C C 13 174.6996667 0.004027682673 . . . . . . . 53 GLN C . 52767 1 99 . 1 . 1 53 53 GLN CA C 13 53.47169102 0.0303664971 . . . . . . . 53 GLN CA . 52767 1 100 . 1 . 1 53 53 GLN CB C 13 34.727 0.03860915262 . . . . . . . 53 GLN CB . 52767 1 101 . 1 . 1 53 53 GLN N N 15 113.988 0.0000023360155 . . . . . . . 53 GLN N . 52767 1 102 . 1 . 1 54 54 MET H H 1 8.52298714 0.00008030469 . . . . . . . 54 MET H . 52767 1 103 . 1 . 1 54 54 MET C C 13 175.549 0.0245899708 . . . . . . . 54 MET C . 52767 1 104 . 1 . 1 54 54 MET CA C 13 53.46664522 0.0327426356 . . . . . . . 54 MET CA . 52767 1 105 . 1 . 1 54 54 MET CB C 13 36.09433333 0.04054901012 . . . . . . . 54 MET CB . 52767 1 106 . 1 . 1 54 54 MET N N 15 114.9449686 0.0000887173441 . . . . . . . 54 MET N . 52767 1 107 . 1 . 1 55 55 SER H H 1 9.415 0.0000001192093 . . . . . . . 55 SER H . 52767 1 108 . 1 . 1 55 55 SER C C 13 177.75 0.01714642813 . . . . . . . 55 SER C . 52767 1 109 . 1 . 1 55 55 SER CA C 13 58.40433333 0.02485066509 . . . . . . . 55 SER CA . 52767 1 110 . 1 . 1 55 55 SER CB C 13 63.24233333 0.0212498366 . . . . . . . 55 SER CB . 52767 1 111 . 1 . 1 55 55 SER N N 15 119.047 0.000 . . . . . . . 55 SER N . 52767 1 112 . 1 . 1 56 56 LEU H H 1 8.51 0.000 . . . . . . . 56 LEU H . 52767 1 113 . 1 . 1 56 56 LEU C C 13 176.939 0.006000000106 . . . . . . . 56 LEU C . 52767 1 114 . 1 . 1 56 56 LEU CA C 13 57.388 0.05266877633 . . . . . . . 56 LEU CA . 52767 1 115 . 1 . 1 56 56 LEU CB C 13 40.94866667 0.03330999183 . . . . . . . 56 LEU CB . 52767 1 116 . 1 . 1 56 56 LEU N N 15 121.918 0.0000019073486 . . . . . . . 56 LEU N . 52767 1 117 . 1 . 1 57 57 ASN H H 1 8.045 0.0000001192093 . . . . . . . 57 ASN H . 52767 1 118 . 1 . 1 57 57 ASN C C 13 176.715 0.03900000003 . . . . . . . 57 ASN C . 52767 1 119 . 1 . 1 57 57 ASN CA C 13 52.6495 0.0585 . . . . . . . 57 ASN CA . 52767 1 120 . 1 . 1 57 57 ASN CB C 13 37.62242033 0.04625915661 . . . . . . . 57 ASN CB . 52767 1 121 . 1 . 1 57 57 ASN N N 15 114.262 0.0000026973983 . . . . . . . 57 ASN N . 52767 1 122 . 1 . 1 58 58 ALA H H 1 8.133902821 0.0001210836047 . . . . . . . 58 ALA H . 52767 1 123 . 1 . 1 58 58 ALA C C 13 178.4728821 0.008067933886 . . . . . . . 58 ALA C . 52767 1 124 . 1 . 1 58 58 ALA CA C 13 56.119 0.03721110945 . . . . . . . 58 ALA CA . 52767 1 125 . 1 . 1 58 58 ALA CB C 13 17.93461781 0.05564252136 . . . . . . . 58 ALA CB . 52767 1 126 . 1 . 1 58 58 ALA N N 15 123.54455 0.02502813421 . . . . . . . 58 ALA N . 52767 1 127 . 1 . 1 59 59 ALA H H 1 8.655 0.000 . . . . . . . 59 ALA H . 52767 1 128 . 1 . 1 59 59 ALA C C 13 179.993 0.01392838789 . . . . . . . 59 ALA C . 52767 1 129 . 1 . 1 59 59 ALA CA C 13 55.376 0.03635931793 . . . . . . . 59 ALA CA . 52767 1 130 . 1 . 1 59 59 ALA CB C 13 17.268 0.03269046752 . . . . . . . 59 ALA CB . 52767 1 131 . 1 . 1 59 59 ALA N N 15 119.047 0.000 . . . . . . . 59 ALA N . 52767 1 132 . 1 . 1 60 60 THR H H 1 7.998 0.000 . . . . . . . 60 THR H . 52767 1 133 . 1 . 1 60 60 THR C C 13 176.2305 0.003500000333 . . . . . . . 60 THR C . 52767 1 134 . 1 . 1 60 60 THR CA C 13 65.07002422 0.03055942855 . . . . . . . 60 THR CA . 52767 1 135 . 1 . 1 60 60 THR CB C 13 68.40166667 0.05989064109 . . . . . . . 60 THR CB . 52767 1 136 . 1 . 1 60 60 THR N N 15 113.031 0.0000026973983 . . . . . . . 60 THR N . 52767 1 137 . 1 . 1 61 61 PHE H H 1 7.939939433 0.0001602446238 . . . . . . . 61 PHE H . 52767 1 138 . 1 . 1 61 61 PHE C C 13 176.116 0.007788881114 . . . . . . . 61 PHE C . 52767 1 139 . 1 . 1 61 61 PHE CA C 13 60.42166667 0.03274480452 . . . . . . . 61 PHE CA . 52767 1 140 . 1 . 1 61 61 PHE CB C 13 39.78033333 0.02577250904 . . . . . . . 61 PHE CB . 52767 1 141 . 1 . 1 61 61 PHE N N 15 121.098 0.0000026973983 . . . . . . . 61 PHE N . 52767 1 142 . 1 . 1 62 62 LEU H H 1 8.224 0.0000001685874 . . . . . . . 62 LEU H . 52767 1 143 . 1 . 1 62 62 LEU C C 13 178.352 0.0139999999 . . . . . . . 62 LEU C . 52767 1 144 . 1 . 1 62 62 LEU CA C 13 53.898 0.04010818703 . . . . . . . 62 LEU CA . 52767 1 145 . 1 . 1 62 62 LEU CB C 13 41.16433333 0.0125521136 . . . . . . . 62 LEU CB . 52767 1 146 . 1 . 1 62 62 LEU N N 15 112.621 0.0000013486992 . . . . . . . 62 LEU N . 52767 1 147 . 1 . 1 63 63 GLY H H 1 7.932 0.0000001192093 . . . . . . . 63 GLY H . 52767 1 148 . 1 . 1 63 63 GLY C C 13 174.047 0.000 . . . . . . . 63 GLY C . 52767 1 149 . 1 . 1 63 63 GLY CA C 13 46.50796922 0.02673772781 . . . . . . . 63 GLY CA . 52767 1 150 . 1 . 1 63 63 GLY N N 15 110.023 0.0000023360155 . . . . . . . 63 GLY N . 52767 1 151 . 1 . 1 64 64 GLN H H 1 7.822836731 0.0002605187224 . . . . . . . 64 GLN H . 52767 1 152 . 1 . 1 64 64 GLN C C 13 174.2245766 0.01357660001 . . . . . . . 64 GLN C . 52767 1 153 . 1 . 1 64 64 GLN CA C 13 53.11496569 0.001591157369 . . . . . . . 64 GLN CA . 52767 1 154 . 1 . 1 64 64 GLN CB C 13 32.18666961 0.04728852129 . . . . . . . 64 GLN CB . 52767 1 155 . 1 . 1 64 64 GLN N N 15 116.586 0.000 . . . . . . . 64 GLN N . 52767 1 156 . 1 . 1 65 65 GLU H H 1 8.594582679 0.0006884594392 . . . . . . . 65 GLU H . 52767 1 157 . 1 . 1 65 65 GLU C C 13 176.8351796 . . . . . . . . 65 GLU C . 52767 1 158 . 1 . 1 65 65 GLU CA C 13 54.458 . . . . . . . . 65 GLU CA . 52767 1 159 . 1 . 1 65 65 GLU CB C 13 28.85616605 . . . . . . . . 65 GLU CB . 52767 1 160 . 1 . 1 65 65 GLU N N 15 120.961 0.0000013486992 . . . . . . . 65 GLU N . 52767 1 161 . 1 . 1 66 66 PRO C C 13 177.8922371 0.000588048297 . . . . . . . 66 PRO C . 52767 1 162 . 1 . 1 66 66 PRO CA C 13 66.042 . . . . . . . . 66 PRO CA . 52767 1 163 . 1 . 1 66 66 PRO CB C 13 31.2525 0.0685 . . . . . . . 66 PRO CB . 52767 1 164 . 1 . 1 67 67 THR H H 1 7.925019157 0.001394633279 . . . . . . . 67 THR H . 52767 1 165 . 1 . 1 67 67 THR C C 13 176.1123999 0.03472046546 . . . . . . . 67 THR C . 52767 1 166 . 1 . 1 67 67 THR CA C 13 64.12336813 0.04921675576 . . . . . . . 67 THR CA . 52767 1 167 . 1 . 1 67 67 THR CB C 13 68.21766667 0.03961761675 . . . . . . . 67 THR CB . 52767 1 168 . 1 . 1 67 67 THR N N 15 106.7512 0.01593486753 . . . . . . . 67 THR N . 52767 1 169 . 1 . 1 68 68 VAL H H 1 7.367004555 0.0000128831548 . . . . . . . 68 VAL H . 52767 1 170 . 1 . 1 68 68 VAL C C 13 177.6413333 0.01087300429 . . . . . . . 68 VAL C . 52767 1 171 . 1 . 1 68 68 VAL CA C 13 63.619 0.0342928564 . . . . . . . 68 VAL CA . 52767 1 172 . 1 . 1 68 68 VAL CB C 13 31.48133333 0.03274480451 . . . . . . . 68 VAL CB . 52767 1 173 . 1 . 1 68 68 VAL N N 15 120.824 0.0000013486992 . . . . . . . 68 VAL N . 52767 1 174 . 1 . 1 69 69 LEU H H 1 7.766 0.000 . . . . . . . 69 LEU H . 52767 1 175 . 1 . 1 69 69 LEU C C 13 177.2886667 0.02824102619 . . . . . . . 69 LEU C . 52767 1 176 . 1 . 1 69 69 LEU CA C 13 57.03533333 0.03519785347 . . . . . . . 69 LEU CA . 52767 1 177 . 1 . 1 69 69 LEU CB C 13 42.291 0.03212475681 . . . . . . . 69 LEU CB . 52767 1 178 . 1 . 1 69 69 LEU N N 15 120.688 0.0000019073486 . . . . . . . 69 LEU N . 52767 1 179 . 1 . 1 70 70 ARG H H 1 7.74 0.0000001192093 . . . . . . . 70 ARG H . 52767 1 180 . 1 . 1 70 70 ARG C C 13 176.8876667 0.002054805015 . . . . . . . 70 ARG C . 52767 1 181 . 1 . 1 70 70 ARG CA C 13 57.85 0.03770941527 . . . . . . . 70 ARG CA . 52767 1 182 . 1 . 1 70 70 ARG CB C 13 29.038 0.03261901286 . . . . . . . 70 ARG CB . 52767 1 183 . 1 . 1 70 70 ARG N N 15 114.945 0.000003015783 . . . . . . . 70 ARG N . 52767 1 184 . 1 . 1 71 71 GLY H H 1 8.066 0.000 . . . . . . . 71 GLY H . 52767 1 185 . 1 . 1 71 71 GLY C C 13 174.6449188 0.02652637141 . . . . . . . 71 GLY C . 52767 1 186 . 1 . 1 71 71 GLY CA C 13 44.8972 0.03666278768 . . . . . . . 71 GLY CA . 52767 1 187 . 1 . 1 71 71 GLY N N 15 109.75 0.000 . . . . . . . 71 GLY N . 52767 1 188 . 1 . 1 72 72 GLN H H 1 7.694102102 0.0002701375089 . . . . . . . 72 GLN H . 52767 1 189 . 1 . 1 72 72 GLN C C 13 175.5796667 0.01108552617 . . . . . . . 72 GLN C . 52767 1 190 . 1 . 1 72 72 GLN CA C 13 55.06566667 0.02800396797 . . . . . . . 72 GLN CA . 52767 1 191 . 1 . 1 72 72 GLN CB C 13 29.678 0.03826225294 . . . . . . . 72 GLN CB . 52767 1 192 . 1 . 1 72 72 GLN N N 15 119.867 0.0000013486992 . . . . . . . 72 GLN N . 52767 1 193 . 1 . 1 73 73 THR H H 1 8.16 0.0000001685874 . . . . . . . 73 THR H . 52767 1 194 . 1 . 1 73 73 THR C C 13 176.9333333 0.01312334674 . . . . . . . 73 THR C . 52767 1 195 . 1 . 1 73 73 THR CA C 13 58.86166667 0.04956028876 . . . . . . . 73 THR CA . 52767 1 196 . 1 . 1 73 73 THR CB C 13 70.65733333 0.02688659311 . . . . . . . 73 THR CB . 52767 1 197 . 1 . 1 73 73 THR N N 15 109.75 0.000 . . . . . . . 73 THR N . 52767 1 198 . 1 . 1 74 74 LEU H H 1 8.783 0.0000001192093 . . . . . . . 74 LEU H . 52767 1 199 . 1 . 1 74 74 LEU C C 13 177.4016667 0.0254602087 . . . . . . . 74 LEU C . 52767 1 200 . 1 . 1 74 74 LEU CA C 13 56.92466667 0.02735365099 . . . . . . . 74 LEU CA . 52767 1 201 . 1 . 1 74 74 LEU CB C 13 40.71066667 0.03582674358 . . . . . . . 74 LEU CB . 52767 1 202 . 1 . 1 74 74 LEU N N 15 121.235 0.0000013486992 . . . . . . . 74 LEU N . 52767 1 203 . 1 . 1 75 75 ALA H H 1 7.303 0.000 . . . . . . . 75 ALA H . 52767 1 204 . 1 . 1 75 75 ALA C C 13 178.3643333 0.001247217882 . . . . . . . 75 ALA C . 52767 1 205 . 1 . 1 75 75 ALA CA C 13 54.29566667 0.05249973545 . . . . . . . 75 ALA CA . 52767 1 206 . 1 . 1 75 75 ALA CB C 13 17.19833333 0.02904402788 . . . . . . . 75 ALA CB . 52767 1 207 . 1 . 1 75 75 ALA N N 15 118.5 0.000 . . . . . . . 75 ALA N . 52767 1 208 . 1 . 1 76 76 ALA H H 1 7.147 0.0000001192093 . . . . . . . 76 ALA H . 52767 1 209 . 1 . 1 76 76 ALA C C 13 179.351 0.0024494909 . . . . . . . 76 ALA C . 52767 1 210 . 1 . 1 76 76 ALA CA C 13 52.60833333 0.02548637981 . . . . . . . 76 ALA CA . 52767 1 211 . 1 . 1 76 76 ALA CB C 13 18.75666667 0.03346972098 . . . . . . . 76 ALA CB . 52767 1 212 . 1 . 1 76 76 ALA N N 15 117.406 0.0000019073486 . . . . . . . 76 ALA N . 52767 1 213 . 1 . 1 77 77 LEU H H 1 8.015 0.000 . . . . . . . 77 LEU H . 52767 1 214 . 1 . 1 77 77 LEU C C 13 176.7793333 0.002357025318 . . . . . . . 77 LEU C . 52767 1 215 . 1 . 1 77 77 LEU CA C 13 56.744 0.04035674253 . . . . . . . 77 LEU CA . 52767 1 216 . 1 . 1 77 77 LEU CB C 13 43.93333333 0.0366454484 . . . . . . . 77 LEU CB . 52767 1 217 . 1 . 1 77 77 LEU N N 15 118.773 0.000 . . . . . . . 77 LEU N . 52767 1 218 . 1 . 1 78 78 LEU H H 1 8.532 0.0000001685874 . . . . . . . 78 LEU H . 52767 1 219 . 1 . 1 78 78 LEU C C 13 173.954 . . . . . . . . 78 LEU C . 52767 1 220 . 1 . 1 78 78 LEU CA C 13 51.146 . . . . . . . . 78 LEU CA . 52767 1 221 . 1 . 1 78 78 LEU CB C 13 42.269 . . . . . . . . 78 LEU CB . 52767 1 222 . 1 . 1 78 78 LEU N N 15 116.312 0.000 . . . . . . . 78 LEU N . 52767 1 223 . 1 . 1 79 79 PRO C C 13 179.952 . . . . . . . . 79 PRO C . 52767 1 224 . 1 . 1 79 79 PRO CA C 13 65.7345 0.0295 . . . . . . . 79 PRO CA . 52767 1 225 . 1 . 1 79 79 PRO CB C 13 30.8065 0.0155 . . . . . . . 79 PRO CB . 52767 1 226 . 1 . 1 80 80 GLU H H 1 8.645 0.0000002064765 . . . . . . . 80 GLU H . 52767 1 227 . 1 . 1 80 80 GLU C C 13 178.1943333 0.01014341614 . . . . . . . 80 GLU C . 52767 1 228 . 1 . 1 80 80 GLU CA C 13 57.668 0.033 . . . . . . . 80 GLU CA . 52767 1 229 . 1 . 1 80 80 GLU CB C 13 28.88966667 0.02595294889 . . . . . . . 80 GLU CB . 52767 1 230 . 1 . 1 80 80 GLU N N 15 113.578 0.0000019073486 . . . . . . . 80 GLU N . 52767 1 231 . 1 . 1 81 81 GLN H H 1 7.613 0.0000000842937 . . . . . . . 81 GLN H . 52767 1 232 . 1 . 1 81 81 GLN C C 13 176.8253333 0.008653836651 . . . . . . . 81 GLN C . 52767 1 233 . 1 . 1 81 81 GLN CA C 13 57.47 0.04181706191 . . . . . . . 81 GLN CA . 52767 1 234 . 1 . 1 81 81 GLN CB C 13 28.0453853 0.04653055624 . . . . . . . 81 GLN CB . 52767 1 235 . 1 . 1 81 81 GLN N N 15 116.723 0.0000013486992 . . . . . . . 81 GLN N . 52767 1 236 . 1 . 1 82 82 TRP H H 1 8.862157538 0.0003174624852 . . . . . . . 82 TRP H . 52767 1 237 . 1 . 1 82 82 TRP C C 13 173.365 . . . . . . . . 82 TRP C . 52767 1 238 . 1 . 1 82 82 TRP CA C 13 61.175 . . . . . . . . 82 TRP CA . 52767 1 239 . 1 . 1 82 82 TRP CB C 13 27.53562419 . . . . . . . . 82 TRP CB . 52767 1 240 . 1 . 1 82 82 TRP N N 15 120.4073444 0.01882475399 . . . . . . . 82 TRP N . 52767 1 241 . 1 . 1 83 83 PRO C C 13 179.5718738 0.002873850992 . . . . . . . 83 PRO C . 52767 1 242 . 1 . 1 83 83 PRO CA C 13 65.279 0.032 . . . . . . . 83 PRO CA . 52767 1 243 . 1 . 1 83 83 PRO CB C 13 29.631 0.046 . . . . . . . 83 PRO CB . 52767 1 244 . 1 . 1 84 84 ALA H H 1 6.871027894 0.0000788960636 . . . . . . . 84 ALA H . 52767 1 245 . 1 . 1 84 84 ALA C C 13 180.071 0.009626352837 . . . . . . . 84 ALA C . 52767 1 246 . 1 . 1 84 84 ALA CA C 13 54.10166667 0.04629134788 . . . . . . . 84 ALA CA . 52767 1 247 . 1 . 1 84 84 ALA CB C 13 17.82633333 0.02067741656 . . . . . . . 84 ALA CB . 52767 1 248 . 1 . 1 84 84 ALA N N 15 120.4149333 0.002639865253 . . . . . . . 84 ALA N . 52767 1 249 . 1 . 1 85 85 LEU H H 1 8.505 0.000 . . . . . . . 85 LEU H . 52767 1 250 . 1 . 1 85 85 LEU C C 13 177.969 0.01500000011 . . . . . . . 85 LEU C . 52767 1 251 . 1 . 1 85 85 LEU CA C 13 57.614 0.03699549523 . . . . . . . 85 LEU CA . 52767 1 252 . 1 . 1 85 85 LEU CB C 13 40.597 0.02694438716 . . . . . . . 85 LEU CB . 52767 1 253 . 1 . 1 85 85 LEU N N 15 121.645 0.0000023360155 . . . . . . . 85 LEU N . 52767 1 254 . 1 . 1 86 86 GLN H H 1 7.507 0.000000146001 . . . . . . . 86 GLN H . 52767 1 255 . 1 . 1 86 86 GLN C C 13 178.0146667 0.01651934897 . . . . . . . 86 GLN C . 52767 1 256 . 1 . 1 86 86 GLN CA C 13 58.25 0.04030715404 . . . . . . . 86 GLN CA . 52767 1 257 . 1 . 1 86 86 GLN CB C 13 28.804 0.04678318786 . . . . . . . 86 GLN CB . 52767 1 258 . 1 . 1 86 86 GLN N N 15 116.996 0.0000013486992 . . . . . . . 86 GLN N . 52767 1 259 . 1 . 1 87 87 ALA H H 1 7.061 0.000 . . . . . . . 87 ALA H . 52767 1 260 . 1 . 1 87 87 ALA C C 13 178.951 0.01805547012 . . . . . . . 87 ALA C . 52767 1 261 . 1 . 1 87 87 ALA CA C 13 53.05133333 0.05833999962 . . . . . . . 87 ALA CA . 52767 1 262 . 1 . 1 87 87 ALA CB C 13 17.82166667 0.03996943276 . . . . . . . 87 ALA CB . 52767 1 263 . 1 . 1 87 87 ALA N N 15 118.09 0.0000023360155 . . . . . . . 87 ALA N . 52767 1 264 . 1 . 1 88 88 ALA H H 1 7.795111111 0.005971123928 . . . . . . . 88 ALA H . 52767 1 265 . 1 . 1 88 88 ALA C C 13 177.4736667 0.01297005078 . . . . . . . 88 ALA C . 52767 1 266 . 1 . 1 88 88 ALA CA C 13 53.442 0.04436965931 . . . . . . . 88 ALA CA . 52767 1 267 . 1 . 1 88 88 ALA CB C 13 19.63266667 0.03779182745 . . . . . . . 88 ALA CB . 52767 1 268 . 1 . 1 88 88 ALA N N 15 118.8036667 0.3007560843 . . . . . . . 88 ALA N . 52767 1 269 . 1 . 1 89 89 LEU H H 1 7.212 0.000000146001 . . . . . . . 89 LEU H . 52767 1 270 . 1 . 1 89 89 LEU C C 13 172.73 . . . . . . . . 89 LEU C . 52767 1 271 . 1 . 1 89 89 LEU CA C 13 50.564 . . . . . . . . 89 LEU CA . 52767 1 272 . 1 . 1 89 89 LEU CB C 13 40.95 . . . . . . . . 89 LEU CB . 52767 1 273 . 1 . 1 89 89 LEU N N 15 115.219 0.0000023360155 . . . . . . . 89 LEU N . 52767 1 274 . 1 . 1 94 94 PRO C C 13 178.09 0.003000000508 . . . . . . . 94 PRO C . 52767 1 275 . 1 . 1 94 94 PRO CA C 13 63.0785 0.0265 . . . . . . . 94 PRO CA . 52767 1 276 . 1 . 1 94 94 PRO CB C 13 31.5725 0.0425 . . . . . . . 94 PRO CB . 52767 1 277 . 1 . 1 95 95 ASP H H 1 8.934 0.000 . . . . . . . 95 ASP H . 52767 1 278 . 1 . 1 95 95 ASP C C 13 176.0496667 0.01970335562 . . . . . . . 95 ASP C . 52767 1 279 . 1 . 1 95 95 ASP CA C 13 55.555 0.0266958174 . . . . . . . 95 ASP CA . 52767 1 280 . 1 . 1 95 95 ASP CB C 13 40.25966667 0.02223110933 . . . . . . . 95 ASP CB . 52767 1 281 . 1 . 1 95 95 ASP N N 15 123.012 0.0000026973983 . . . . . . . 95 ASP N . 52767 1 282 . 1 . 1 96 96 ALA H H 1 7.219 0.0000000842937 . . . . . . . 96 ALA H . 52767 1 283 . 1 . 1 96 96 ALA C C 13 177.6036667 0.002494437951 . . . . . . . 96 ALA C . 52767 1 284 . 1 . 1 96 96 ALA CA C 13 51.451 0.02051016007 . . . . . . . 96 ALA CA . 52767 1 285 . 1 . 1 96 96 ALA CB C 13 18.64866667 0.03896437119 . . . . . . . 96 ALA CB . 52767 1 286 . 1 . 1 96 96 ALA N N 15 117.543 0.0000019073486 . . . . . . . 96 ALA N . 52767 1 287 . 1 . 1 97 97 LEU H H 1 7.459 0.000000146001 . . . . . . . 97 LEU H . 52767 1 288 . 1 . 1 97 97 LEU C C 13 175.7463333 0.006847546026 . . . . . . . 97 LEU C . 52767 1 289 . 1 . 1 97 97 LEU CA C 13 55.13866667 0.02900957697 . . . . . . . 97 LEU CA . 52767 1 290 . 1 . 1 97 97 LEU CB C 13 41.92333333 0.03724990678 . . . . . . . 97 LEU CB . 52767 1 291 . 1 . 1 97 97 LEU N N 15 121.098 0.0000026973983 . . . . . . . 97 LEU N . 52767 1 292 . 1 . 1 98 98 GLN H H 1 8.346 0.0000001685874 . . . . . . . 98 GLN H . 52767 1 293 . 1 . 1 98 98 GLN C C 13 176.3163333 0.02088593365 . . . . . . . 98 GLN C . 52767 1 294 . 1 . 1 98 98 GLN CA C 13 53.63133333 0.02753583522 . . . . . . . 98 GLN CA . 52767 1 295 . 1 . 1 98 98 GLN CB C 13 31.28266667 0.04057366414 . . . . . . . 98 GLN CB . 52767 1 296 . 1 . 1 98 98 GLN N N 15 120.824 0.0000013486992 . . . . . . . 98 GLN N . 52767 1 297 . 1 . 1 99 99 TYR H H 1 9.403 0.0000001192093 . . . . . . . 99 TYR H . 52767 1 298 . 1 . 1 99 99 TYR C C 13 173.635 0.0205426387 . . . . . . . 99 TYR C . 52767 1 299 . 1 . 1 99 99 TYR CA C 13 56.841 0.03826225294 . . . . . . . 99 TYR CA . 52767 1 300 . 1 . 1 99 99 TYR CB C 13 40.61233333 0.0394151691 . . . . . . . 99 TYR CB . 52767 1 301 . 1 . 1 99 99 TYR N N 15 124.789 0.0000019073486 . . . . . . . 99 TYR N . 52767 1 302 . 1 . 1 100 100 ARG H H 1 7.788 0.000000146001 . . . . . . . 100 ARG H . 52767 1 303 . 1 . 1 100 100 ARG C C 13 174.518 0.0152970584 . . . . . . . 100 ARG C . 52767 1 304 . 1 . 1 100 100 ARG CA C 13 53.623 0.02747119704 . . . . . . . 100 ARG CA . 52767 1 305 . 1 . 1 100 100 ARG CB C 13 32.716 0.03394112549 . . . . . . . 100 ARG CB . 52767 1 306 . 1 . 1 100 100 ARG N N 15 127.114 0.000 . . . . . . . 100 ARG N . 52767 1 307 . 1 . 1 101 101 ALA H H 1 8.917 0.0000001192093 . . . . . . . 101 ALA H . 52767 1 308 . 1 . 1 101 101 ALA C C 13 175.749 0.006683312867 . . . . . . . 101 ALA C . 52767 1 309 . 1 . 1 101 101 ALA CA C 13 50.83833333 0.03517890781 . . . . . . . 101 ALA CA . 52767 1 310 . 1 . 1 101 101 ALA CB C 13 22.49333333 0.02597862369 . . . . . . . 101 ALA CB . 52767 1 311 . 1 . 1 101 101 ALA N N 15 123.559 0.000 . . . . . . . 101 ALA N . 52767 1 312 . 1 . 1 102 102 THR H H 1 8.446 0.0000001192093 . . . . . . . 102 THR H . 52767 1 313 . 1 . 1 102 102 THR C C 13 173.6373333 0.01887385014 . . . . . . . 102 THR C . 52767 1 314 . 1 . 1 102 102 THR CA C 13 61.06633333 0.0358639404 . . . . . . . 102 THR CA . 52767 1 315 . 1 . 1 102 102 THR CB C 13 69.72333333 0.04189935028 . . . . . . . 102 THR CB . 52767 1 316 . 1 . 1 102 102 THR N N 15 115.082 0.000 . . . . . . . 102 THR N . 52767 1 317 . 1 . 1 103 103 LEU H H 1 9.450708509 0.0008244601424 . . . . . . . 103 LEU H . 52767 1 318 . 1 . 1 103 103 LEU C C 13 175.4253333 0.008993825149 . . . . . . . 103 LEU C . 52767 1 319 . 1 . 1 103 103 LEU CA C 13 53.56553914 0.003884030116 . . . . . . . 103 LEU CA . 52767 1 320 . 1 . 1 103 103 LEU CB C 13 43.382 0.05511805511 . . . . . . . 103 LEU CB . 52767 1 321 . 1 . 1 103 103 LEU N N 15 124.789 0.0000019073486 . . . . . . . 103 LEU N . 52767 1 322 . 1 . 1 104 104 ASP H H 1 8.794955697 0.0000674155673 . . . . . . . 104 ASP H . 52767 1 323 . 1 . 1 104 104 ASP C C 13 174.996 0.04414370465 . . . . . . . 104 ASP C . 52767 1 324 . 1 . 1 104 104 ASP CA C 13 53.54506281 0.001937190026 . . . . . . . 104 ASP CA . 52767 1 325 . 1 . 1 104 104 ASP CB C 13 40.54066667 0.03518838192 . . . . . . . 104 ASP CB . 52767 1 326 . 1 . 1 104 104 ASP N N 15 123.0120523 0.0001479394488 . . . . . . . 104 ASP N . 52767 1 327 . 1 . 1 105 105 TRP H H 1 8.516 0.0000001192093 . . . . . . . 105 TRP H . 52767 1 328 . 1 . 1 105 105 TRP CA C 13 53.659 . . . . . . . . 105 TRP CA . 52767 1 329 . 1 . 1 105 105 TRP CB C 13 31.522 . . . . . . . . 105 TRP CB . 52767 1 330 . 1 . 1 105 105 TRP N N 15 128.071 0.000 . . . . . . . 105 TRP N . 52767 1 331 . 1 . 1 106 106 PRO C C 13 177.665692 . . . . . . . . 106 PRO C . 52767 1 332 . 1 . 1 106 106 PRO CA C 13 64.904 . . . . . . . . 106 PRO CA . 52767 1 333 . 1 . 1 107 107 ALA H H 1 8.226301072 0.0003763303597 . . . . . . . 107 ALA H . 52767 1 334 . 1 . 1 107 107 ALA C C 13 177.4739706 0.007006759624 . . . . . . . 107 ALA C . 52767 1 335 . 1 . 1 107 107 ALA CA C 13 54.002 0.03343650699 . . . . . . . 107 ALA CA . 52767 1 336 . 1 . 1 107 107 ALA CB C 13 17.973 0.05597023018 . . . . . . . 107 ALA CB . 52767 1 337 . 1 . 1 107 107 ALA N N 15 119.731 0.0000013486992 . . . . . . . 107 ALA N . 52767 1 338 . 1 . 1 108 108 ALA H H 1 8.313953514 0.0000732497192 . . . . . . . 108 ALA H . 52767 1 339 . 1 . 1 108 108 ALA C C 13 177.2199149 0.004982276488 . . . . . . . 108 ALA C . 52767 1 340 . 1 . 1 108 108 ALA CA C 13 52.45066667 0.02995923157 . . . . . . . 108 ALA CA . 52767 1 341 . 1 . 1 108 108 ALA CB C 13 20.789 0.03747888294 . . . . . . . 108 ALA CB . 52767 1 342 . 1 . 1 108 108 ALA N N 15 120.551 0.0000013486992 . . . . . . . 108 ALA N . 52767 1 343 . 1 . 1 109 109 GLY H H 1 8.463 0.000 . . . . . . . 109 GLY H . 52767 1 344 . 1 . 1 109 109 GLY C C 13 172.9556667 0.003858613425 . . . . . . . 109 GLY C . 52767 1 345 . 1 . 1 109 109 GLY CA C 13 44.56466667 0.03008691115 . . . . . . . 109 GLY CA . 52767 1 346 . 1 . 1 109 109 GLY N N 15 108.109 0.0000023360155 . . . . . . . 109 GLY N . 52767 1 347 . 1 . 1 110 110 HIS H H 1 8.481 0.000 . . . . . . . 110 HIS H . 52767 1 348 . 1 . 1 110 110 HIS C C 13 175.3473333 0.008498366652 . . . . . . . 110 HIS C . 52767 1 349 . 1 . 1 110 110 HIS CA C 13 55.88866667 0.02163844315 . . . . . . . 110 HIS CA . 52767 1 350 . 1 . 1 110 110 HIS CB C 13 29.535 0.03418576702 . . . . . . . 110 HIS CB . 52767 1 351 . 1 . 1 110 110 HIS N N 15 120.824 0.0000013486992 . . . . . . . 110 HIS N . 52767 1 352 . 1 . 1 111 111 LEU H H 1 9.254 0.0000001192093 . . . . . . . 111 LEU H . 52767 1 353 . 1 . 1 111 111 LEU C C 13 176.0726667 0.02131248993 . . . . . . . 111 LEU C . 52767 1 354 . 1 . 1 111 111 LEU CA C 13 53.065 0.033950945 . . . . . . . 111 LEU CA . 52767 1 355 . 1 . 1 111 111 LEU CB C 13 45.533 0.04537253208 . . . . . . . 111 LEU CB . 52767 1 356 . 1 . 1 111 111 LEU N N 15 123.832 0.0000019073486 . . . . . . . 111 LEU N . 52767 1 357 . 1 . 1 112 112 SER H H 1 9.618 0.0000001192093 . . . . . . . 112 SER H . 52767 1 358 . 1 . 1 112 112 SER C C 13 173.0683333 0.01049867773 . . . . . . . 112 SER C . 52767 1 359 . 1 . 1 112 112 SER CA C 13 57.439 0.02039607803 . . . . . . . 112 SER CA . 52767 1 360 . 1 . 1 112 112 SER CB C 13 63.34790722 0.03270302765 . . . . . . . 112 SER CB . 52767 1 361 . 1 . 1 112 112 SER N N 15 117.133 0.000 . . . . . . . 112 SER N . 52767 1 362 . 1 . 1 113 113 LEU H H 1 9.170728405 0.001617083614 . . . . . . . 113 LEU H . 52767 1 363 . 1 . 1 113 113 LEU C C 13 175.304 0.007788880881 . . . . . . . 113 LEU C . 52767 1 364 . 1 . 1 113 113 LEU CA C 13 52.69333333 0.0273414622 . . . . . . . 113 LEU CA . 52767 1 365 . 1 . 1 113 113 LEU CB C 13 43.83195813 0.03688940281 . . . . . . . 113 LEU CB . 52767 1 366 . 1 . 1 113 113 LEU N N 15 131.2152183 0.0006175716834 . . . . . . . 113 LEU N . 52767 1 367 . 1 . 1 114 114 THR H H 1 9.035 0.0000001192093 . . . . . . . 114 THR H . 52767 1 368 . 1 . 1 114 114 THR C C 13 174.1103333 0.00849836601 . . . . . . . 114 THR C . 52767 1 369 . 1 . 1 114 114 THR CA C 13 61.99466667 0.0244994331 . . . . . . . 114 THR CA . 52767 1 370 . 1 . 1 114 114 THR CB C 13 70.11866667 0.03852560475 . . . . . . . 114 THR CB . 52767 1 371 . 1 . 1 114 114 THR N N 15 123.832 0.0000019073486 . . . . . . . 114 THR N . 52767 1 372 . 1 . 1 115 115 VAL H H 1 9.946 0.000 . . . . . . . 115 VAL H . 52767 1 373 . 1 . 1 115 115 VAL C C 13 174.547 0.01061445564 . . . . . . . 115 VAL C . 52767 1 374 . 1 . 1 115 115 VAL CA C 13 59.42966667 0.02036882149 . . . . . . . 115 VAL CA . 52767 1 375 . 1 . 1 115 115 VAL CB C 13 34.11 0.05499696961 . . . . . . . 115 VAL CB . 52767 1 376 . 1 . 1 115 115 VAL N N 15 129.028 0.0000019073486 . . . . . . . 115 VAL N . 52767 1 377 . 1 . 1 116 116 HIS H H 1 8.734 0.000 . . . . . . . 116 HIS H . 52767 1 378 . 1 . 1 116 116 HIS C C 13 170.8583333 0.01302134996 . . . . . . . 116 HIS C . 52767 1 379 . 1 . 1 116 116 HIS CA C 13 55.40733333 0.03724095715 . . . . . . . 116 HIS CA . 52767 1 380 . 1 . 1 116 116 HIS CB C 13 31.16566667 0.03674537008 . . . . . . . 116 HIS CB . 52767 1 381 . 1 . 1 116 116 HIS N N 15 122.192 0.0000013486992 . . . . . . . 116 HIS N . 52767 1 382 . 1 . 1 117 117 ARG H H 1 10.629 0.000 . . . . . . . 117 ARG H . 52767 1 383 . 1 . 1 117 117 ARG C C 13 176 0.01151810159 . . . . . . . 117 ARG C . 52767 1 384 . 1 . 1 117 117 ARG CA C 13 54.31766667 0.04267968552 . . . . . . . 117 ARG CA . 52767 1 385 . 1 . 1 117 117 ARG CB C 13 33.44466667 0.02792052212 . . . . . . . 117 ARG CB . 52767 1 386 . 1 . 1 117 117 ARG N N 15 124.789 0.0000019073486 . . . . . . . 117 ARG N . 52767 1 387 . 1 . 1 118 118 VAL H H 1 8.994 0.0000001192093 . . . . . . . 118 VAL H . 52767 1 388 . 1 . 1 118 118 VAL C C 13 177.2223333 0.01065624535 . . . . . . . 118 VAL C . 52767 1 389 . 1 . 1 118 118 VAL CA C 13 60.344 0.0419602987 . . . . . . . 118 VAL CA . 52767 1 390 . 1 . 1 118 118 VAL CB C 13 32.73666667 0.06698424359 . . . . . . . 118 VAL CB . 52767 1 391 . 1 . 1 118 118 VAL N N 15 125.883 0.0000013486992 . . . . . . . 118 VAL N . 52767 1 392 . 1 . 1 119 119 GLY H H 1 9.168 0.000 . . . . . . . 119 GLY H . 52767 1 393 . 1 . 1 119 119 GLY C C 13 175.363 . . . . . . . . 119 GLY C . 52767 1 394 . 1 . 1 119 119 GLY CA C 13 47.4705 0.003499999943 . . . . . . . 119 GLY CA . 52767 1 395 . 1 . 1 119 119 GLY N N 15 117.953 0.0000019073486 . . . . . . . 119 GLY N . 52767 1 396 . 1 . 1 120 120 GLU C C 13 174.748 0.01000000006 . . . . . . . 120 GLU C . 52767 1 397 . 1 . 1 120 120 GLU CA C 13 55.486 0.01099999998 . . . . . . . 120 GLU CA . 52767 1 398 . 1 . 1 120 120 GLU CB C 13 28.218 0.026 . . . . . . . 120 GLU CB . 52767 1 399 . 1 . 1 121 121 LEU H H 1 8.621 0.000 . . . . . . . 121 LEU H . 52767 1 400 . 1 . 1 121 121 LEU C C 13 175.3436667 0.0115854317 . . . . . . . 121 LEU C . 52767 1 401 . 1 . 1 121 121 LEU CA C 13 53.64233333 0.0312018518 . . . . . . . 121 LEU CA . 52767 1 402 . 1 . 1 121 121 LEU CB C 13 45.59666667 0.03725885428 . . . . . . . 121 LEU CB . 52767 1 403 . 1 . 1 121 121 LEU N N 15 126.567 0.0000019073486 . . . . . . . 121 LEU N . 52767 1 404 . 1 . 1 122 122 LEU H H 1 9.315 0.000 . . . . . . . 122 LEU H . 52767 1 405 . 1 . 1 122 122 LEU C C 13 175.8253333 0.01869640493 . . . . . . . 122 LEU C . 52767 1 406 . 1 . 1 122 122 LEU CA C 13 52.911 0.02578113005 . . . . . . . 122 LEU CA . 52767 1 407 . 1 . 1 122 122 LEU CB C 13 43.465 0.03353605025 . . . . . . . 122 LEU CB . 52767 1 408 . 1 . 1 122 122 LEU N N 15 122.602 0.0000019073486 . . . . . . . 122 LEU N . 52767 1 409 . 1 . 1 123 123 ILE H H 1 9.095 0.0000001192093 . . . . . . . 123 ILE H . 52767 1 410 . 1 . 1 123 123 ILE C C 13 173.6946667 0.01724979857 . . . . . . . 123 ILE C . 52767 1 411 . 1 . 1 123 123 ILE CA C 13 60.95266667 0.02252899366 . . . . . . . 123 ILE CA . 52767 1 412 . 1 . 1 123 123 ILE CB C 13 36.78266667 0.03355923453 . . . . . . . 123 ILE CB . 52767 1 413 . 1 . 1 123 123 ILE N N 15 123.149 0.0000013486992 . . . . . . . 123 ILE N . 52767 1 414 . 1 . 1 124 124 LEU H H 1 9.399 0.0000001192093 . . . . . . . 124 LEU H . 52767 1 415 . 1 . 1 124 124 LEU C C 13 174.1563333 0.0004713968832 . . . . . . . 124 LEU C . 52767 1 416 . 1 . 1 124 124 LEU CA C 13 55.81366667 0.02471616654 . . . . . . . 124 LEU CA . 52767 1 417 . 1 . 1 124 124 LEU CB C 13 42.226 0.03821866909 . . . . . . . 124 LEU CB . 52767 1 418 . 1 . 1 124 124 LEU N N 15 127.25 0.000 . . . . . . . 124 LEU N . 52767 1 419 . 1 . 1 125 125 GLU H H 1 9.223 0.000 . . . . . . . 125 GLU H . 52767 1 420 . 1 . 1 125 125 GLU C C 13 175.2405 0.009499999981 . . . . . . . 125 GLU C . 52767 1 421 . 1 . 1 125 125 GLU CA C 13 54.95466667 0.02499777769 . . . . . . . 125 GLU CA . 52767 1 422 . 1 . 1 125 125 GLU CB C 13 33.20166667 0.04112041937 . . . . . . . 125 GLU CB . 52767 1 423 . 1 . 1 125 125 GLU N N 15 120.824 0.0000013486992 . . . . . . . 125 GLU N . 52767 1 424 . 1 . 1 126 126 PHE H H 1 9.366 0.000 . . . . . . . 126 PHE H . 52767 1 425 . 1 . 1 126 126 PHE C C 13 175.065 0.0217715409 . . . . . . . 126 PHE C . 52767 1 426 . 1 . 1 126 126 PHE CA C 13 55.61466667 0.04008601862 . . . . . . . 126 PHE CA . 52767 1 427 . 1 . 1 126 126 PHE CB C 13 41.562 0.03137939876 . . . . . . . 126 PHE CB . 52767 1 428 . 1 . 1 126 126 PHE N N 15 121.508 0.0000023360155 . . . . . . . 126 PHE N . 52767 1 429 . 1 . 1 127 127 GLU H H 1 8.929 0.000 . . . . . . . 127 GLU H . 52767 1 430 . 1 . 1 127 127 GLU C C 13 172.755 . . . . . . . . 127 GLU C . 52767 1 431 . 1 . 1 127 127 GLU CA C 13 53.326 . . . . . . . . 127 GLU CA . 52767 1 432 . 1 . 1 127 127 GLU CB C 13 33.298 . . . . . . . . 127 GLU CB . 52767 1 433 . 1 . 1 127 127 GLU N N 15 118.637 0.0000023360155 . . . . . . . 127 GLU N . 52767 1 434 . 1 . 1 128 128 PRO C C 13 176.0428065 0.000 . . . . . . . 128 PRO C . 52767 1 435 . 1 . 1 128 128 PRO CA C 13 63.28923765 0.000 . . . . . . . 128 PRO CA . 52767 1 436 . 1 . 1 128 128 PRO CB C 13 31.56817629 0.000 . . . . . . . 128 PRO CB . 52767 1 437 . 1 . 1 129 129 THR H H 1 8.175201552 0.0006422567393 . . . . . . . 129 THR H . 52767 1 438 . 1 . 1 129 129 THR C C 13 173.0735 0.04449999999 . . . . . . . 129 THR C . 52767 1 439 . 1 . 1 129 129 THR CA C 13 60.4628047 0.175042045 . . . . . . . 129 THR CA . 52767 1 440 . 1 . 1 129 129 THR CB C 13 70.167 0.01600000001 . . . . . . . 129 THR CB . 52767 1 441 . 1 . 1 129 129 THR N N 15 114.929587 0.04299603358 . . . . . . . 129 THR N . 52767 1 442 . 1 . 1 130 130 GLU H H 1 8.045951933 0.005389759817 . . . . . . . 130 GLU H . 52767 1 443 . 1 . 1 130 130 GLU C C 13 176.5707589 0.05151599157 . . . . . . . 130 GLU C . 52767 1 444 . 1 . 1 130 130 GLU CA C 13 55.04401873 0.017018725 . . . . . . . 130 GLU CA . 52767 1 445 . 1 . 1 130 130 GLU CB C 13 31.62752249 0.04704366767 . . . . . . . 130 GLU CB . 52767 1 446 . 1 . 1 130 130 GLU N N 15 123.152148 0.003655207607 . . . . . . . 130 GLU N . 52767 1 447 . 1 . 1 131 131 ALA H H 1 8.527535088 0.01016706194 . . . . . . . 131 ALA H . 52767 1 448 . 1 . 1 131 131 ALA C C 13 176.9181747 0.02642522278 . . . . . . . 131 ALA C . 52767 1 449 . 1 . 1 131 131 ALA CA C 13 52.21768093 0.04028862765 . . . . . . . 131 ALA CA . 52767 1 450 . 1 . 1 131 131 ALA CB C 13 18.07432948 0.0875545672 . . . . . . . 131 ALA CB . 52767 1 451 . 1 . 1 131 131 ALA N N 15 124.71675 0.1613091519 . . . . . . . 131 ALA N . 52767 1 452 . 1 . 1 132 132 TRP H H 1 8.097446636 0.003744700484 . . . . . . . 132 TRP H . 52767 1 453 . 1 . 1 132 132 TRP C C 13 175.58 . . . . . . . . 132 TRP C . 52767 1 454 . 1 . 1 132 132 TRP CA C 13 56.077 . . . . . . . . 132 TRP CA . 52767 1 455 . 1 . 1 132 132 TRP CB C 13 29.66568429 . . . . . . . . 132 TRP CB . 52767 1 456 . 1 . 1 132 132 TRP N N 15 121.098 0.0000026973983 . . . . . . . 132 TRP N . 52767 1 457 . 1 . 1 142 142 ASN C C 13 177.758 0.007000000405 . . . . . . . 142 ASN C . 52767 1 458 . 1 . 1 142 142 ASN CA C 13 55.423 0.050 . . . . . . . 142 ASN CA . 52767 1 459 . 1 . 1 142 142 ASN CB C 13 37.3045 0.0365 . . . . . . . 142 ASN CB . 52767 1 460 . 1 . 1 143 143 ALA H H 1 8.114 0.0000001685874 . . . . . . . 143 ALA H . 52767 1 461 . 1 . 1 143 143 ALA C C 13 179.2465 0.005499999443 . . . . . . . 143 ALA C . 52767 1 462 . 1 . 1 143 143 ALA CA C 13 54.47266667 0.03780946384 . . . . . . . 143 ALA CA . 52767 1 463 . 1 . 1 143 143 ALA CB C 13 17.892 0.0484217582 . . . . . . . 143 ALA CB . 52767 1 464 . 1 . 1 143 143 ALA N N 15 124.106 0.0000019073486 . . . . . . . 143 ALA N . 52767 1 465 . 1 . 1 144 144 MET H H 1 8.543 0.000 . . . . . . . 144 MET H . 52767 1 466 . 1 . 1 144 144 MET C C 13 179.2483333 0.01255211354 . . . . . . . 144 MET C . 52767 1 467 . 1 . 1 144 144 MET CA C 13 57.94 0.04102032018 . . . . . . . 144 MET CA . 52767 1 468 . 1 . 1 144 144 MET CB C 13 30.91166667 0.06344201202 . . . . . . . 144 MET CB . 52767 1 469 . 1 . 1 144 144 MET N N 15 116.039 0.0000019073486 . . . . . . . 144 MET N . 52767 1 470 . 1 . 1 145 145 SER H H 1 8.129 0.0000001192093 . . . . . . . 145 SER H . 52767 1 471 . 1 . 1 145 145 SER C C 13 176.8535 0.01850000013 . . . . . . . 145 SER C . 52767 1 472 . 1 . 1 145 145 SER CA C 13 61.07466667 0.02653718566 . . . . . . . 145 SER CA . 52767 1 473 . 1 . 1 145 145 SER CB C 13 62.27465856 0.01336451891 . . . . . . . 145 SER CB . 52767 1 474 . 1 . 1 145 145 SER N N 15 114.945 0.000003015783 . . . . . . . 145 SER N . 52767 1 475 . 1 . 1 146 146 ALA H H 1 7.858061915 0.0002158749073 . . . . . . . 146 ALA H . 52767 1 476 . 1 . 1 146 146 ALA C C 13 180.1606667 0.007408703617 . . . . . . . 146 ALA C . 52767 1 477 . 1 . 1 146 146 ALA CA C 13 54.387 0.04089824772 . . . . . . . 146 ALA CA . 52767 1 478 . 1 . 1 146 146 ALA CB C 13 17.25133333 0.03184685577 . . . . . . . 146 ALA CB . 52767 1 479 . 1 . 1 146 146 ALA N N 15 125.063 0.0000013486992 . . . . . . . 146 ALA N . 52767 1 480 . 1 . 1 147 147 LEU H H 1 8.021 0.0000001192093 . . . . . . . 147 LEU H . 52767 1 481 . 1 . 1 147 147 LEU C C 13 178.4340426 0.03204265003 . . . . . . . 147 LEU C . 52767 1 482 . 1 . 1 147 147 LEU CA C 13 57.629 0.01823915202 . . . . . . . 147 LEU CA . 52767 1 483 . 1 . 1 147 147 LEU CB C 13 40.456 0.02902872142 . . . . . . . 147 LEU CB . 52767 1 484 . 1 . 1 147 147 LEU N N 15 117.406 0.0000019073486 . . . . . . . 147 LEU N . 52767 1 485 . 1 . 1 148 148 GLU H H 1 7.968947126 0.003374179076 . . . . . . . 148 GLU H . 52767 1 486 . 1 . 1 148 148 GLU C C 13 178.7965 0.007500000178 . . . . . . . 148 GLU C . 52767 1 487 . 1 . 1 148 148 GLU CA C 13 58.62995625 0.038956245 . . . . . . . 148 GLU CA . 52767 1 488 . 1 . 1 148 148 GLU CB C 13 28.869 0.0332565783 . . . . . . . 148 GLU CB . 52767 1 489 . 1 . 1 148 148 GLU N N 15 116.723 0.0000013486992 . . . . . . . 148 GLU N . 52767 1 490 . 1 . 1 149 149 SER H H 1 7.842019758 0.0000312402267 . . . . . . . 149 SER H . 52767 1 491 . 1 . 1 149 149 SER C C 13 174.377 0.00199999852 . . . . . . . 149 SER C . 52767 1 492 . 1 . 1 149 149 SER CA C 13 58.76199667 0.01490234419 . . . . . . . 149 SER CA . 52767 1 493 . 1 . 1 149 149 SER CB C 13 63.39589696 0.05057137574 . . . . . . . 149 SER CB . 52767 1 494 . 1 . 1 149 149 SER N N 15 111.664 0.0000013486992 . . . . . . . 149 SER N . 52767 1 495 . 1 . 1 150 150 ALA H H 1 7.332856989 0.001579114292 . . . . . . . 150 ALA H . 52767 1 496 . 1 . 1 150 150 ALA C C 13 178.555 . . . . . . . . 150 ALA C . 52767 1 497 . 1 . 1 150 150 ALA CA C 13 50.006 . . . . . . . . 150 ALA CA . 52767 1 498 . 1 . 1 150 150 ALA CB C 13 16.805 . . . . . . . . 150 ALA CB . 52767 1 499 . 1 . 1 150 150 ALA N N 15 127.3871334 0.000377450271 . . . . . . . 150 ALA N . 52767 1 500 . 1 . 1 157 157 ALA C C 13 180.2063067 0.003306700084 . . . . . . . 157 ALA C . 52767 1 501 . 1 . 1 157 157 ALA CA C 13 54.91579627 0.005468979927 . . . . . . . 157 ALA CA . 52767 1 502 . 1 . 1 157 157 ALA CB C 13 17.8385 0.008500000001 . . . . . . . 157 ALA CB . 52767 1 503 . 1 . 1 158 158 GLU H H 1 8.257896622 0.00417259977 . . . . . . . 158 GLU H . 52767 1 504 . 1 . 1 158 158 GLU C C 13 179.1957548 0.01425488963 . . . . . . . 158 GLU C . 52767 1 505 . 1 . 1 158 158 GLU CA C 13 59.63747921 0.005520784993 . . . . . . . 158 GLU CA . 52767 1 506 . 1 . 1 158 158 GLU CB C 13 28.85806265 0.0002323699442 . . . . . . . 158 GLU CB . 52767 1 507 . 1 . 1 158 158 GLU N N 15 119.3037838 0.02642920598 . . . . . . . 158 GLU N . 52767 1 508 . 1 . 1 159 159 VAL H H 1 8.743283338 0.001460901181 . . . . . . . 159 VAL H . 52767 1 509 . 1 . 1 159 159 VAL C C 13 180.0262582 0.01361758245 . . . . . . . 159 VAL C . 52767 1 510 . 1 . 1 159 159 VAL CA C 13 65.34234091 0.01182404812 . . . . . . . 159 VAL CA . 52767 1 511 . 1 . 1 159 159 VAL CB C 13 30.91965651 0.0366360373 . . . . . . . 159 VAL CB . 52767 1 512 . 1 . 1 159 159 VAL N N 15 119.8124 0.0000019073486 . . . . . . . 159 VAL N . 52767 1 513 . 1 . 1 160 160 ALA H H 1 9.136 0.0000002064765 . . . . . . . 160 ALA H . 52767 1 514 . 1 . 1 160 160 ALA C C 13 179.1915 0.004499999347 . . . . . . . 160 ALA C . 52767 1 515 . 1 . 1 160 160 ALA CA C 13 55.8845 0.0545 . . . . . . . 160 ALA CA . 52767 1 516 . 1 . 1 160 160 ALA CB C 13 17.78033333 0.04133064507 . . . . . . . 160 ALA CB . 52767 1 517 . 1 . 1 160 160 ALA N N 15 124.926 0.0000013486992 . . . . . . . 160 ALA N . 52767 1 518 . 1 . 1 161 161 THR H H 1 7.962045033 0.008707277333 . . . . . . . 161 THR H . 52767 1 519 . 1 . 1 161 161 THR C C 13 176.8563457 0.01509371082 . . . . . . . 161 THR C . 52767 1 520 . 1 . 1 161 161 THR CA C 13 65.18833333 0.0294882274 . . . . . . . 161 THR CA . 52767 1 521 . 1 . 1 161 161 THR CB C 13 67.87533333 0.008576453574 . . . . . . . 161 THR CB . 52767 1 522 . 1 . 1 161 161 THR N N 15 107.00945 0.009612882041 . . . . . . . 161 THR N . 52767 1 523 . 1 . 1 162 162 GLN H H 1 8.031 0.000 . . . . . . . 162 GLN H . 52767 1 524 . 1 . 1 162 162 GLN C C 13 178.9073333 0.01096458967 . . . . . . . 162 GLN C . 52767 1 525 . 1 . 1 162 162 GLN CA C 13 58.853 0.01714642818 . . . . . . . 162 GLN CA . 52767 1 526 . 1 . 1 162 162 GLN CB C 13 27.38966667 0.02468917891 . . . . . . . 162 GLN CB . 52767 1 527 . 1 . 1 162 162 GLN N N 15 122.465 0.0000019073486 . . . . . . . 162 GLN N . 52767 1 528 . 1 . 1 163 163 THR H H 1 8.776 0.0000001685874 . . . . . . . 163 THR H . 52767 1 529 . 1 . 1 163 163 THR C C 13 176.7968034 0.01306690416 . . . . . . . 163 THR C . 52767 1 530 . 1 . 1 163 163 THR CA C 13 66.54319483 0.03486062829 . . . . . . . 163 THR CA . 52767 1 531 . 1 . 1 163 163 THR CB C 13 68.29833333 0.03348963356 . . . . . . . 163 THR CB . 52767 1 532 . 1 . 1 163 163 THR N N 15 116.586 0.0000019073486 . . . . . . . 163 THR N . 52767 1 533 . 1 . 1 164 164 VAL H H 1 8.307531817 0.001270901524 . . . . . . . 164 VAL H . 52767 1 534 . 1 . 1 164 164 VAL C C 13 179.7886921 0.0006921047836 . . . . . . . 164 VAL C . 52767 1 535 . 1 . 1 164 164 VAL CA C 13 67.10833333 0.03781827895 . . . . . . . 164 VAL CA . 52767 1 536 . 1 . 1 164 164 VAL CB C 13 30.40766667 0.04759084879 . . . . . . . 164 VAL CB . 52767 1 537 . 1 . 1 164 164 VAL N N 15 120.277 0.0000013486992 . . . . . . . 164 VAL N . 52767 1 538 . 1 . 1 165 165 ARG H H 1 8.630255342 0.002106209932 . . . . . . . 165 ARG H . 52767 1 539 . 1 . 1 165 165 ARG C C 13 177.9143333 0.01040299138 . . . . . . . 165 ARG C . 52767 1 540 . 1 . 1 165 165 ARG CA C 13 61.72775 0.01823972312 . . . . . . . 165 ARG CA . 52767 1 541 . 1 . 1 165 165 ARG CB C 13 27.90043018 0.01803588134 . . . . . . . 165 ARG CB . 52767 1 542 . 1 . 1 165 165 ARG N N 15 124.5160698 0.0001973714191 . . . . . . . 165 ARG N . 52767 1 543 . 1 . 1 166 166 GLU H H 1 8.54119339 0.001140951425 . . . . . . . 166 GLU H . 52767 1 544 . 1 . 1 166 166 GLU C C 13 178.915 0.001632994552 . . . . . . . 166 GLU C . 52767 1 545 . 1 . 1 166 166 GLU CA C 13 59.314 0.02578113006 . . . . . . . 166 GLU CA . 52767 1 546 . 1 . 1 166 166 GLU CB C 13 28.68933519 0.02006946676 . . . . . . . 166 GLU CB . 52767 1 547 . 1 . 1 166 166 GLU N N 15 121.508 0.0000023360155 . . . . . . . 166 GLU N . 52767 1 548 . 1 . 1 167 167 LEU H H 1 8.138 0.000 . . . . . . . 167 LEU H . 52767 1 549 . 1 . 1 167 167 LEU C C 13 178.031 0.006999999886 . . . . . . . 167 LEU C . 52767 1 550 . 1 . 1 167 167 LEU CA C 13 56.9865 0.0255 . . . . . . . 167 LEU CA . 52767 1 551 . 1 . 1 167 167 LEU CB C 13 43.033 0.06375473839 . . . . . . . 167 LEU CB . 52767 1 552 . 1 . 1 167 167 LEU N N 15 116.312 0.000 . . . . . . . 167 LEU N . 52767 1 553 . 1 . 1 168 168 THR H H 1 7.806 0.0000000842937 . . . . . . . 168 THR H . 52767 1 554 . 1 . 1 168 168 THR C C 13 175.728 0.01399999977 . . . . . . . 168 THR C . 52767 1 555 . 1 . 1 168 168 THR CA C 13 62.32866667 0.03873270223 . . . . . . . 168 THR CA . 52767 1 556 . 1 . 1 168 168 THR CB C 13 71.138 0.02700000001 . . . . . . . 168 THR CB . 52767 1 557 . 1 . 1 168 168 THR N N 15 102.777 0.0000023360155 . . . . . . . 168 THR N . 52767 1 558 . 1 . 1 169 169 GLY H H 1 8.994 0.0000001192093 . . . . . . . 169 GLY H . 52767 1 559 . 1 . 1 169 169 GLY C C 13 174.738 0.02000000002 . . . . . . . 169 GLY C . 52767 1 560 . 1 . 1 169 169 GLY CA C 13 45.32666667 0.03571025373 . . . . . . . 169 GLY CA . 52767 1 561 . 1 . 1 169 169 GLY N N 15 112.347 0.000 . . . . . . . 169 GLY N . 52767 1 562 . 1 . 1 170 170 PHE H H 1 7.843 0.000000146001 . . . . . . . 170 PHE H . 52767 1 563 . 1 . 1 170 170 PHE C C 13 177.3546667 0.0196015874 . . . . . . . 170 PHE C . 52767 1 564 . 1 . 1 170 170 PHE CA C 13 59.20233333 0.05286670869 . . . . . . . 170 PHE CA . 52767 1 565 . 1 . 1 170 170 PHE CB C 13 39.14830767 0.02413603174 . . . . . . . 170 PHE CB . 52767 1 566 . 1 . 1 170 170 PHE N N 15 119.731 0.000 . . . . . . . 170 PHE N . 52767 1 567 . 1 . 1 171 171 ASP H H 1 10.70395689 0.0000806492914 . . . . . . . 171 ASP H . 52767 1 568 . 1 . 1 171 171 ASP C C 13 175.265 0.01500000011 . . . . . . . 171 ASP C . 52767 1 569 . 1 . 1 171 171 ASP CA C 13 57.93066667 0.03920317447 . . . . . . . 171 ASP CA . 52767 1 570 . 1 . 1 171 171 ASP CB C 13 41.81183727 0.06520756817 . . . . . . . 171 ASP CB . 52767 1 571 . 1 . 1 171 171 ASP N N 15 124.106 0.0000019073486 . . . . . . . 171 ASP N . 52767 1 572 . 1 . 1 172 172 ARG H H 1 8.884 0.000 . . . . . . . 172 ARG H . 52767 1 573 . 1 . 1 172 172 ARG C C 13 174.6766667 0.01987181157 . . . . . . . 172 ARG C . 52767 1 574 . 1 . 1 172 172 ARG CA C 13 55.42433333 0.04014418458 . . . . . . . 172 ARG CA . 52767 1 575 . 1 . 1 172 172 ARG CB C 13 34.49133333 0.06624365798 . . . . . . . 172 ARG CB . 52767 1 576 . 1 . 1 172 172 ARG N N 15 116.996 0.0000013486992 . . . . . . . 172 ARG N . 52767 1 577 . 1 . 1 173 173 VAL H H 1 9.469 0.0000001192093 . . . . . . . 173 VAL H . 52767 1 578 . 1 . 1 173 173 VAL C C 13 174.1746667 0.01746106784 . . . . . . . 173 VAL C . 52767 1 579 . 1 . 1 173 173 VAL CA C 13 61.44466667 0.03479782879 . . . . . . . 173 VAL CA . 52767 1 580 . 1 . 1 173 173 VAL CB C 13 34.3175 0.0365 . . . . . . . 173 VAL CB . 52767 1 581 . 1 . 1 173 173 VAL N N 15 126.704 0.0000019073486 . . . . . . . 173 VAL N . 52767 1 582 . 1 . 1 174 174 MET H H 1 9.922 0.0000002384186 . . . . . . . 174 MET H . 52767 1 583 . 1 . 1 174 174 MET C C 13 174.87 . . . . . . . . 174 MET C . 52767 1 584 . 1 . 1 174 174 MET CA C 13 53.62 . . . . . . . . 174 MET CA . 52767 1 585 . 1 . 1 174 174 MET CB C 13 37.081 . . . . . . . . 174 MET CB . 52767 1 586 . 1 . 1 174 174 MET N N 15 125.473 0.0000019073486 . . . . . . . 174 MET N . 52767 1 587 . 1 . 1 210 210 ALA C C 13 179.2762646 0.000 . . . . . . . 210 ALA C . 52767 1 588 . 1 . 1 210 210 ALA CA C 13 56.16575716 0.000 . . . . . . . 210 ALA CA . 52767 1 589 . 1 . 1 211 211 GLN H H 1 9.703179867 0.003680847128 . . . . . . . 211 GLN H . 52767 1 590 . 1 . 1 211 211 GLN C C 13 178.5046772 0.0007499082624 . . . . . . . 211 GLN C . 52767 1 591 . 1 . 1 211 211 GLN CA C 13 57.32272171 0.002595241857 . . . . . . . 211 GLN CA . 52767 1 592 . 1 . 1 211 211 GLN CB C 13 25.913 . . . . . . . . 211 GLN CB . 52767 1 593 . 1 . 1 211 211 GLN N N 15 121.5076461 0.0001292360658 . . . . . . . 211 GLN N . 52767 1 594 . 1 . 1 212 212 ALA H H 1 7.363072949 0.007336491306 . . . . . . . 212 ALA H . 52767 1 595 . 1 . 1 212 212 ALA C C 13 176.0660245 0.03607975138 . . . . . . . 212 ALA C . 52767 1 596 . 1 . 1 212 212 ALA CA C 13 53.51822196 0.01622195999 . . . . . . . 212 ALA CA . 52767 1 597 . 1 . 1 212 212 ALA CB C 13 15.97933333 0.05781772124 . . . . . . . 212 ALA CB . 52767 1 598 . 1 . 1 212 212 ALA N N 15 127.2592919 0.007006206644 . . . . . . . 212 ALA N . 52767 1 599 . 1 . 1 213 213 ARG H H 1 7.667955107 0.0000777564009 . . . . . . . 213 ARG H . 52767 1 600 . 1 . 1 213 213 ARG C C 13 178.3385 0.02649999999 . . . . . . . 213 ARG C . 52767 1 601 . 1 . 1 213 213 ARG CA C 13 60.554 0.01104536103 . . . . . . . 213 ARG CA . 52767 1 602 . 1 . 1 213 213 ARG CB C 13 28.46354283 0.03865149508 . . . . . . . 213 ARG CB . 52767 1 603 . 1 . 1 213 213 ARG N N 15 114.2684 0.01108512538 . . . . . . . 213 ARG N . 52767 1 604 . 1 . 1 214 214 ALA H H 1 7.728 0.0000000842937 . . . . . . . 214 ALA H . 52767 1 605 . 1 . 1 214 214 ALA C C 13 181.443 0.01500000011 . . . . . . . 214 ALA C . 52767 1 606 . 1 . 1 214 214 ALA CA C 13 54.7535 0.0355 . . . . . . . 214 ALA CA . 52767 1 607 . 1 . 1 214 214 ALA CB C 13 17.3845 0.1115 . . . . . . . 214 ALA CB . 52767 1 608 . 1 . 1 214 214 ALA N N 15 118.5 0.000 . . . . . . . 214 ALA N . 52767 1 609 . 1 . 1 215 215 LEU H H 1 7.521516371 0.002397592712 . . . . . . . 215 LEU H . 52767 1 610 . 1 . 1 215 215 LEU C C 13 179.3701563 0.01354553503 . . . . . . . 215 LEU C . 52767 1 611 . 1 . 1 215 215 LEU CA C 13 58.23696278 0.05479392885 . . . . . . . 215 LEU CA . 52767 1 612 . 1 . 1 215 215 LEU CB C 13 40.464 0.01700000001 . . . . . . . 215 LEU CB . 52767 1 613 . 1 . 1 215 215 LEU N N 15 123.5712286 0.01933506912 . . . . . . . 215 LEU N . 52767 1 614 . 1 . 1 216 216 TYR H H 1 8.601693351 0.002502114672 . . . . . . . 216 TYR H . 52767 1 615 . 1 . 1 216 216 TYR C C 13 177.1375527 0.02855274994 . . . . . . . 216 TYR C . 52767 1 616 . 1 . 1 216 216 TYR CA C 13 54.29568256 0.002595995033 . . . . . . . 216 TYR CA . 52767 1 617 . 1 . 1 216 216 TYR CB C 13 34.9545 0.1205 . . . . . . . 216 TYR CB . 52767 1 618 . 1 . 1 216 216 TYR N N 15 116.4401429 0.02169548067 . . . . . . . 216 TYR N . 52767 1 619 . 1 . 1 217 217 THR H H 1 7.800769933 0.003390221826 . . . . . . . 217 THR H . 52767 1 620 . 1 . 1 217 217 THR C C 13 172.7161864 0.0255876787 . . . . . . . 217 THR C . 52767 1 621 . 1 . 1 217 217 THR CA C 13 64.13066667 0.07040991091 . . . . . . . 217 THR CA . 52767 1 622 . 1 . 1 217 217 THR CB C 13 68.68166667 0.0497013302 . . . . . . . 217 THR CB . 52767 1 623 . 1 . 1 217 217 THR N N 15 114.2509 0.01281717604 . . . . . . . 217 THR N . 52767 1 624 . 1 . 1 218 218 ARG H H 1 7.34325 0.00330718914 . . . . . . . 218 ARG H . 52767 1 625 . 1 . 1 218 218 ARG C C 13 174.881 0.01392838815 . . . . . . . 218 ARG C . 52767 1 626 . 1 . 1 218 218 ARG CA C 13 56.312 0.009416297976 . . . . . . . 218 ARG CA . 52767 1 627 . 1 . 1 218 218 ARG CB C 13 31.81266667 0.02858126815 . . . . . . . 218 ARG CB . 52767 1 628 . 1 . 1 218 218 ARG N N 15 119.867 0.0000013486992 . . . . . . . 218 ARG N . 52767 1 629 . 1 . 1 219 219 HIS H H 1 7.986 0.0000001192093 . . . . . . . 219 HIS H . 52767 1 630 . 1 . 1 219 219 HIS C C 13 177.0863333 0.01611072821 . . . . . . . 219 HIS C . 52767 1 631 . 1 . 1 219 219 HIS CA C 13 55.03033333 0.03597530016 . . . . . . . 219 HIS CA . 52767 1 632 . 1 . 1 219 219 HIS CB C 13 30.28866667 0.03913509366 . . . . . . . 219 HIS CB . 52767 1 633 . 1 . 1 219 219 HIS N N 15 119.594 0.0000026973983 . . . . . . . 219 HIS N . 52767 1 634 . 1 . 1 220 220 LEU H H 1 8.657 0.0000001685874 . . . . . . . 220 LEU H . 52767 1 635 . 1 . 1 220 220 LEU C C 13 175.089 0.002449488672 . . . . . . . 220 LEU C . 52767 1 636 . 1 . 1 220 220 LEU CA C 13 57.75233333 0.02242518426 . . . . . . . 220 LEU CA . 52767 1 637 . 1 . 1 220 220 LEU CB C 13 41.17 0.02987752779 . . . . . . . 220 LEU CB . 52767 1 638 . 1 . 1 220 220 LEU N N 15 122.465 0.0000023360155 . . . . . . . 220 LEU N . 52767 1 639 . 1 . 1 221 221 LEU H H 1 8.09 0.0000001685874 . . . . . . . 221 LEU H . 52767 1 640 . 1 . 1 221 221 LEU C C 13 174.7925 0.0194999999 . . . . . . . 221 LEU C . 52767 1 641 . 1 . 1 221 221 LEU CA C 13 54.85066667 0.03429609633 . . . . . . . 221 LEU CA . 52767 1 642 . 1 . 1 221 221 LEU CB C 13 44.786 0.01737814719 . . . . . . . 221 LEU CB . 52767 1 643 . 1 . 1 221 221 LEU N N 15 121.918 0.0000019073486 . . . . . . . 221 LEU N . 52767 1 644 . 1 . 1 222 222 ARG H H 1 8.447 0.0000001685874 . . . . . . . 222 ARG H . 52767 1 645 . 1 . 1 222 222 ARG C C 13 172.073 0.005999999803 . . . . . . . 222 ARG C . 52767 1 646 . 1 . 1 222 222 ARG CA C 13 55.40966667 0.05681744646 . . . . . . . 222 ARG CA . 52767 1 647 . 1 . 1 222 222 ARG CB C 13 27.36466667 0.05076306619 . . . . . . . 222 ARG CB . 52767 1 648 . 1 . 1 222 222 ARG N N 15 121.918 0.0000013486992 . . . . . . . 222 ARG N . 52767 1 649 . 1 . 1 223 223 LEU H H 1 9.484 0.000 . . . . . . . 223 LEU H . 52767 1 650 . 1 . 1 223 223 LEU C C 13 174.9915 0.09449999999 . . . . . . . 223 LEU C . 52767 1 651 . 1 . 1 223 223 LEU CA C 13 54.7145 0.0535 . . . . . . . 223 LEU CA . 52767 1 652 . 1 . 1 223 223 LEU CB C 13 44.4895 0.0955 . . . . . . . 223 LEU CB . 52767 1 653 . 1 . 1 223 223 LEU N N 15 118.91 0.0000013486992 . . . . . . . 223 LEU N . 52767 1 654 . 1 . 1 224 224 THR H H 1 9.214903727 0.002549677502 . . . . . . . 224 THR H . 52767 1 655 . 1 . 1 224 224 THR C C 13 174.1929801 0.02711944737 . . . . . . . 224 THR C . 52767 1 656 . 1 . 1 224 224 THR CA C 13 61.67703458 0.06998910552 . . . . . . . 224 THR CA . 52767 1 657 . 1 . 1 224 224 THR CB C 13 70.10333333 0.0555837706 . . . . . . . 224 THR CB . 52767 1 658 . 1 . 1 224 224 THR N N 15 116.5080083 0.0678900005 . . . . . . . 224 THR N . 52767 1 659 . 1 . 1 225 225 ALA H H 1 8.152 0.000 . . . . . . . 225 ALA H . 52767 1 660 . 1 . 1 225 225 ALA C C 13 176.7733333 0.02389328149 . . . . . . . 225 ALA C . 52767 1 661 . 1 . 1 225 225 ALA CA C 13 54.79 0.01626857915 . . . . . . . 225 ALA CA . 52767 1 662 . 1 . 1 225 225 ALA CB C 13 18.562 0.05266877633 . . . . . . . 225 ALA CB . 52767 1 663 . 1 . 1 225 225 ALA N N 15 129.985 0.000 . . . . . . . 225 ALA N . 52767 1 664 . 1 . 1 226 226 ASP H H 1 8.159565991 0.00160086336 . . . . . . . 226 ASP H . 52767 1 665 . 1 . 1 226 226 ASP C C 13 178.3813468 0.01534684997 . . . . . . . 226 ASP C . 52767 1 666 . 1 . 1 226 226 ASP CA C 13 52.40166667 0.04094169296 . . . . . . . 226 ASP CA . 52767 1 667 . 1 . 1 226 226 ASP CB C 13 42.09 0.07080018833 . . . . . . . 226 ASP CB . 52767 1 668 . 1 . 1 226 226 ASP N N 15 114.1274222 0.00685107907 . . . . . . . 226 ASP N . 52767 1 669 . 1 . 1 227 227 THR H H 1 8.526 0.0000001685874 . . . . . . . 227 THR H . 52767 1 670 . 1 . 1 227 227 THR C C 13 173.7525 0.02149999996 . . . . . . . 227 THR C . 52767 1 671 . 1 . 1 227 227 THR CA C 13 62.97233333 0.04584272632 . . . . . . . 227 THR CA . 52767 1 672 . 1 . 1 227 227 THR CB C 13 67.86366667 0.02015495526 . . . . . . . 227 THR CB . 52767 1 673 . 1 . 1 227 227 THR N N 15 115.766 0.0000013486992 . . . . . . . 227 THR N . 52767 1 674 . 1 . 1 228 228 ARG H H 1 8.849 0.0000002064765 . . . . . . . 228 ARG H . 52767 1 675 . 1 . 1 228 228 ARG C C 13 176.5173333 0.008178562592 . . . . . . . 228 ARG C . 52767 1 676 . 1 . 1 228 228 ARG CA C 13 55.287 0.02141650453 . . . . . . . 228 ARG CA . 52767 1 677 . 1 . 1 228 228 ARG CB C 13 29.79566667 0.04369846171 . . . . . . . 228 ARG CB . 52767 1 678 . 1 . 1 228 228 ARG N N 15 119.594 0.0000026973983 . . . . . . . 228 ARG N . 52767 1 679 . 1 . 1 229 229 ALA H H 1 7.449022037 0.4560661095 . . . . . . . 229 ALA H . 52767 1 680 . 1 . 1 229 229 ALA C C 13 178.1676711 1.217174475 . . . . . . . 229 ALA C . 52767 1 681 . 1 . 1 229 229 ALA CA C 13 51.814 0.02641968963 . . . . . . . 229 ALA CA . 52767 1 682 . 1 . 1 229 229 ALA CB C 13 19.01266667 0.04714752262 . . . . . . . 229 ALA CB . 52767 1 683 . 1 . 1 229 229 ALA N N 15 123.6269 0.6153 . . . . . . . 229 ALA N . 52767 1 684 . 1 . 1 230 230 ALA H H 1 8.484 0.000 . . . . . . . 230 ALA H . 52767 1 685 . 1 . 1 230 230 ALA C C 13 176.8313333 0.005185450256 . . . . . . . 230 ALA C . 52767 1 686 . 1 . 1 230 230 ALA CA C 13 51.122 0.033 . . . . . . . 230 ALA CA . 52767 1 687 . 1 . 1 230 230 ALA CB C 13 18.55133333 0.03086889841 . . . . . . . 230 ALA CB . 52767 1 688 . 1 . 1 230 230 ALA N N 15 126.43 0.0000019073486 . . . . . . . 230 ALA N . 52767 1 689 . 1 . 1 231 231 ALA H H 1 8.22 0.000 . . . . . . . 231 ALA H . 52767 1 690 . 1 . 1 231 231 ALA C C 13 177.754 0.008286535568 . . . . . . . 231 ALA C . 52767 1 691 . 1 . 1 231 231 ALA CA C 13 51.32266667 0.05198931514 . . . . . . . 231 ALA CA . 52767 1 692 . 1 . 1 231 231 ALA CB C 13 19.41833333 0.04027681991 . . . . . . . 231 ALA CB . 52767 1 693 . 1 . 1 231 231 ALA N N 15 123.559 0.0000013486992 . . . . . . . 231 ALA N . 52767 1 694 . 1 . 1 232 232 VAL H H 1 9.76 0.0000001192093 . . . . . . . 232 VAL H . 52767 1 695 . 1 . 1 232 232 VAL C C 13 174.273 . . . . . . . . 232 VAL C . 52767 1 696 . 1 . 1 232 232 VAL CA C 13 58.602 . . . . . . . . 232 VAL CA . 52767 1 697 . 1 . 1 232 232 VAL CB C 13 33.31 . . . . . . . . 232 VAL CB . 52767 1 698 . 1 . 1 232 232 VAL N N 15 122.875 0.000 . . . . . . . 232 VAL N . 52767 1 699 . 1 . 1 236 236 PRO C C 13 176.7955 0.01450000001 . . . . . . . 236 PRO C . 52767 1 700 . 1 . 1 236 236 PRO CA C 13 63.3765 0.0385 . . . . . . . 236 PRO CA . 52767 1 701 . 1 . 1 236 236 PRO CB C 13 33.2545 0.0455 . . . . . . . 236 PRO CB . 52767 1 702 . 1 . 1 237 237 VAL H H 1 8.575666667 0.001247219112 . . . . . . . 237 VAL H . 52767 1 703 . 1 . 1 237 237 VAL C C 13 175.771 0.02599999992 . . . . . . . 237 VAL C . 52767 1 704 . 1 . 1 237 237 VAL CA C 13 64.9911687 0.0354752273 . . . . . . . 237 VAL CA . 52767 1 705 . 1 . 1 237 237 VAL CB C 13 31.29362277 0.0167038185 . . . . . . . 237 VAL CB . 52767 1 706 . 1 . 1 237 237 VAL N N 15 121.371 0.000 . . . . . . . 237 VAL N . 52767 1 707 . 1 . 1 238 238 LEU H H 1 7.601327948 0.003360940795 . . . . . . . 238 LEU H . 52767 1 708 . 1 . 1 238 238 LEU C C 13 176.6119205 0.01306189708 . . . . . . . 238 LEU C . 52767 1 709 . 1 . 1 238 238 LEU CA C 13 52.293 0.03811386448 . . . . . . . 238 LEU CA . 52767 1 710 . 1 . 1 238 238 LEU CB C 13 40.27037622 0.0455812216 . . . . . . . 238 LEU CB . 52767 1 711 . 1 . 1 238 238 LEU N N 15 118.9259375 0.01234513423 . . . . . . . 238 LEU N . 52767 1 712 . 1 . 1 239 239 ASN H H 1 8.238 0.000 . . . . . . . 239 ASN H . 52767 1 713 . 1 . 1 239 239 ASN C C 13 175.768 . . . . . . . . 239 ASN C . 52767 1 714 . 1 . 1 239 239 ASN CA C 13 50.406 . . . . . . . . 239 ASN CA . 52767 1 715 . 1 . 1 239 239 ASN CB C 13 38.065 . . . . . . . . 239 ASN CB . 52767 1 716 . 1 . 1 239 239 ASN N N 15 122.055 0.000003015783 . . . . . . . 239 ASN N . 52767 1 717 . 1 . 1 240 240 PRO C C 13 178.0955 0.002499999332 . . . . . . . 240 PRO C . 52767 1 718 . 1 . 1 240 240 PRO CA C 13 63.746 0.024 . . . . . . . 240 PRO CA . 52767 1 719 . 1 . 1 240 240 PRO CB C 13 31.554 0.041 . . . . . . . 240 PRO CB . 52767 1 720 . 1 . 1 241 241 GLN H H 1 8.159 0.0000001192093 . . . . . . . 241 GLN H . 52767 1 721 . 1 . 1 241 241 GLN C C 13 178.401 0.01999999984 . . . . . . . 241 GLN C . 52767 1 722 . 1 . 1 241 241 GLN CA C 13 57.88 0.01416568626 . . . . . . . 241 GLN CA . 52767 1 723 . 1 . 1 241 241 GLN CB C 13 29.71666667 0.03736605709 . . . . . . . 241 GLN CB . 52767 1 724 . 1 . 1 241 241 GLN N N 15 114.262 0.0000026973983 . . . . . . . 241 GLN N . 52767 1 725 . 1 . 1 242 242 THR H H 1 7.044 0.0000001192093 . . . . . . . 242 THR H . 52767 1 726 . 1 . 1 242 242 THR C C 13 175.941027 0.03561888406 . . . . . . . 242 THR C . 52767 1 727 . 1 . 1 242 242 THR CA C 13 59.93846793 0.01376590766 . . . . . . . 242 THR CA . 52767 1 728 . 1 . 1 242 242 THR CB C 13 70.61309685 0.008553762365 . . . . . . . 242 THR CB . 52767 1 729 . 1 . 1 242 242 THR N N 15 103.324 0.0000013486992 . . . . . . . 242 THR N . 52767 1 730 . 1 . 1 243 243 ASN H H 1 9.084229074 0.002451181078 . . . . . . . 243 ASN H . 52767 1 731 . 1 . 1 243 243 ASN C C 13 173.018287 0.0102870003 . . . . . . . 243 ASN C . 52767 1 732 . 1 . 1 243 243 ASN CA C 13 54.28304016 0.02874187256 . . . . . . . 243 ASN CA . 52767 1 733 . 1 . 1 243 243 ASN CB C 13 37.35537286 0.04312018734 . . . . . . . 243 ASN CB . 52767 1 734 . 1 . 1 243 243 ASN N N 15 120.3671056 0.0613308377 . . . . . . . 243 ASN N . 52767 1 735 . 1 . 1 244 244 ALA H H 1 7.947 0.0000001192093 . . . . . . . 244 ALA H . 52767 1 736 . 1 . 1 244 244 ALA C C 13 174.273 . . . . . . . . 244 ALA C . 52767 1 737 . 1 . 1 244 244 ALA CA C 13 49.597 . . . . . . . . 244 ALA CA . 52767 1 738 . 1 . 1 244 244 ALA CB C 13 18.71 . . . . . . . . 244 ALA CB . 52767 1 739 . 1 . 1 244 244 ALA N N 15 119.731 0.000 . . . . . . . 244 ALA N . 52767 1 740 . 1 . 1 247 247 PRO C C 13 176.6729672 0.02862924999 . . . . . . . 247 PRO C . 52767 1 741 . 1 . 1 247 247 PRO CA C 13 63.4142991 0.000 . . . . . . . 247 PRO CA . 52767 1 742 . 1 . 1 247 247 PRO CB C 13 31.42271424 0.0007962549493 . . . . . . . 247 PRO CB . 52767 1 743 . 1 . 1 248 248 LEU H H 1 8.614257374 0.003049852484 . . . . . . . 248 LEU H . 52767 1 744 . 1 . 1 248 248 LEU C C 13 178.626493 0.01350695005 . . . . . . . 248 LEU C . 52767 1 745 . 1 . 1 248 248 LEU CA C 13 53.38646082 0.03428363248 . . . . . . . 248 LEU CA . 52767 1 746 . 1 . 1 248 248 LEU CB C 13 43.22861372 0.02893596142 . . . . . . . 248 LEU CB . 52767 1 747 . 1 . 1 248 248 LEU N N 15 124.1064032 0.000 . . . . . . . 248 LEU N . 52767 1 748 . 1 . 1 249 249 GLY H H 1 8.82 0.000 . . . . . . . 249 GLY H . 52767 1 749 . 1 . 1 249 249 GLY C C 13 172.643 0.01800000012 . . . . . . . 249 GLY C . 52767 1 750 . 1 . 1 249 249 GLY CA C 13 47.544 0.0310537169 . . . . . . . 249 GLY CA . 52767 1 751 . 1 . 1 249 249 GLY N N 15 109.066 0.0000023360155 . . . . . . . 249 GLY N . 52767 1 752 . 1 . 1 250 250 GLY H H 1 8.676 0.0000001192093 . . . . . . . 250 GLY H . 52767 1 753 . 1 . 1 250 250 GLY C C 13 172.872 0.02699999992 . . . . . . . 250 GLY C . 52767 1 754 . 1 . 1 250 250 GLY CA C 13 43.2485 0.03115418645 . . . . . . . 250 GLY CA . 52767 1 755 . 1 . 1 250 250 GLY N N 15 104.828 0.0000019073486 . . . . . . . 250 GLY N . 52767 1 756 . 1 . 1 251 251 ALA H H 1 7.786 0.0000000842937 . . . . . . . 251 ALA H . 52767 1 757 . 1 . 1 251 251 ALA C C 13 178.0633333 0.02107658006 . . . . . . . 251 ALA C . 52767 1 758 . 1 . 1 251 251 ALA CA C 13 49.67433333 0.07530087797 . . . . . . . 251 ALA CA . 52767 1 759 . 1 . 1 251 251 ALA CB C 13 18.31166667 0.03371778298 . . . . . . . 251 ALA CB . 52767 1 760 . 1 . 1 251 251 ALA N N 15 124.379 0.000 . . . . . . . 251 ALA N . 52767 1 761 . 1 . 1 252 252 VAL H H 1 9.789444444 0.008314794193 . . . . . . . 252 VAL H . 52767 1 762 . 1 . 1 252 252 VAL C C 13 177.8574929 0.04418915333 . . . . . . . 252 VAL C . 52767 1 763 . 1 . 1 252 252 VAL CA C 13 64.65960935 0.01528011876 . . . . . . . 252 VAL CA . 52767 1 764 . 1 . 1 252 252 VAL CB C 13 30.80276612 0.006905689816 . . . . . . . 252 VAL CB . 52767 1 765 . 1 . 1 252 252 VAL N N 15 132.856 0.000 . . . . . . . 252 VAL N . 52767 1 766 . 1 . 1 253 253 LEU H H 1 9.325162776 0.01365776108 . . . . . . . 253 LEU H . 52767 1 767 . 1 . 1 253 253 LEU C C 13 177.023147 0.01636737994 . . . . . . . 253 LEU C . 52767 1 768 . 1 . 1 253 253 LEU CA C 13 54.52564989 0.003995073753 . . . . . . . 253 LEU CA . 52767 1 769 . 1 . 1 253 253 LEU CB C 13 41.44345761 0.04911183397 . . . . . . . 253 LEU CB . 52767 1 770 . 1 . 1 253 253 LEU N N 15 117.1095 0.0000026973983 . . . . . . . 253 LEU N . 52767 1 771 . 1 . 1 254 254 ARG H H 1 7.583 0.0000001192093 . . . . . . . 254 ARG H . 52767 1 772 . 1 . 1 254 254 ARG C C 13 175.9733333 0.04935810188 . . . . . . . 254 ARG C . 52767 1 773 . 1 . 1 254 254 ARG CA C 13 57.663 0.04280186911 . . . . . . . 254 ARG CA . 52767 1 774 . 1 . 1 254 254 ARG CB C 13 29.56066667 0.05067763039 . . . . . . . 254 ARG CB . 52767 1 775 . 1 . 1 254 254 ARG N N 15 118.09 0.0000023360155 . . . . . . . 254 ARG N . 52767 1 776 . 1 . 1 255 255 ALA H H 1 7.751 0.000 . . . . . . . 255 ALA H . 52767 1 777 . 1 . 1 255 255 ALA C C 13 176.9445 0.0004999909896 . . . . . . . 255 ALA C . 52767 1 778 . 1 . 1 255 255 ALA CA C 13 53.643 0.02599999999 . . . . . . . 255 ALA CA . 52767 1 779 . 1 . 1 255 255 ALA CB C 13 18.39866667 0.01975404319 . . . . . . . 255 ALA CB . 52767 1 780 . 1 . 1 255 255 ALA N N 15 128.754 0.0000019073486 . . . . . . . 255 ALA N . 52767 1 781 . 1 . 1 256 256 THR H H 1 8.327251649 0.004760284076 . . . . . . . 256 THR H . 52767 1 782 . 1 . 1 256 256 THR C C 13 173.2301174 0.01680135504 . . . . . . . 256 THR C . 52767 1 783 . 1 . 1 256 256 THR CA C 13 61.64343063 0.01721531435 . . . . . . . 256 THR CA . 52767 1 784 . 1 . 1 256 256 THR CB C 13 68.89174678 0.04507577865 . . . . . . . 256 THR CB . 52767 1 785 . 1 . 1 256 256 THR N N 15 123.5658854 0.01192585126 . . . . . . . 256 THR N . 52767 1 786 . 1 . 1 257 257 SER H H 1 8.567775866 0.001337163746 . . . . . . . 257 SER H . 52767 1 787 . 1 . 1 257 257 SER CA C 13 56.19991085 0.000 . . . . . . . 257 SER CA . 52767 1 788 . 1 . 1 257 257 SER N N 15 120.9595276 0.00064372098 . . . . . . . 257 SER N . 52767 1 789 . 1 . 1 273 273 LEU C C 13 174.594 . . . . . . . . 273 LEU C . 52767 1 790 . 1 . 1 273 273 LEU CA C 13 55.66281312 0.001813124873 . . . . . . . 273 LEU CA . 52767 1 791 . 1 . 1 273 273 LEU CB C 13 45.3205 0.0595 . . . . . . . 273 LEU CB . 52767 1 792 . 1 . 1 274 274 SER H H 1 9.194741209 0.00198776931 . . . . . . . 274 SER H . 52767 1 793 . 1 . 1 274 274 SER C C 13 172.9975 0.01049999996 . . . . . . . 274 SER C . 52767 1 794 . 1 . 1 274 274 SER CA C 13 57.4295 0.0185 . . . . . . . 274 SER CA . 52767 1 795 . 1 . 1 274 274 SER CB C 13 66.4965 0.0825 . . . . . . . 274 SER CB . 52767 1 796 . 1 . 1 274 274 SER N N 15 116.723 0.0000013486992 . . . . . . . 274 SER N . 52767 1 797 . 1 . 1 275 275 VAL H H 1 8.751 0.000 . . . . . . . 275 VAL H . 52767 1 798 . 1 . 1 275 275 VAL C C 13 177.367 0.01499999975 . . . . . . . 275 VAL C . 52767 1 799 . 1 . 1 275 275 VAL CA C 13 58.88433333 0.05519863122 . . . . . . . 275 VAL CA . 52767 1 800 . 1 . 1 275 275 VAL CB C 13 35.094 0.05593448549 . . . . . . . 275 VAL CB . 52767 1 801 . 1 . 1 275 275 VAL N N 15 118.09 0.000 . . . . . . . 275 VAL N . 52767 1 802 . 1 . 1 276 276 SER H H 1 9.904 0.0000001192093 . . . . . . . 276 SER H . 52767 1 803 . 1 . 1 276 276 SER C C 13 171.3523333 0.01108552568 . . . . . . . 276 SER C . 52767 1 804 . 1 . 1 276 276 SER CA C 13 59.801 0.02939387691 . . . . . . . 276 SER CA . 52767 1 805 . 1 . 1 276 276 SER CB C 13 64.48433333 0.0541684615 . . . . . . . 276 SER CB . 52767 1 806 . 1 . 1 276 276 SER N N 15 123.696 0.000 . . . . . . . 276 SER N . 52767 1 807 . 1 . 1 277 277 VAL H H 1 8.651 0.0000001192093 . . . . . . . 277 VAL H . 52767 1 808 . 1 . 1 277 277 VAL C C 13 175.0625 0.02349999999 . . . . . . . 277 VAL C . 52767 1 809 . 1 . 1 277 277 VAL CA C 13 61.51966667 0.02322833517 . . . . . . . 277 VAL CA . 52767 1 810 . 1 . 1 277 277 VAL CB C 13 31.295 0.03047403266 . . . . . . . 277 VAL CB . 52767 1 811 . 1 . 1 277 277 VAL N N 15 124.106 0.0000019073486 . . . . . . . 277 VAL N . 52767 1 812 . 1 . 1 278 278 VAL H H 1 8.49 0.000 . . . . . . . 278 VAL H . 52767 1 813 . 1 . 1 278 278 VAL C C 13 175.2386667 0.01329995829 . . . . . . . 278 VAL C . 52767 1 814 . 1 . 1 278 278 VAL CA C 13 61.5915 0.03350000001 . . . . . . . 278 VAL CA . 52767 1 815 . 1 . 1 278 278 VAL CB C 13 32.259 0.02405549141 . . . . . . . 278 VAL CB . 52767 1 816 . 1 . 1 278 278 VAL N N 15 129.575 0.0000026973983 . . . . . . . 278 VAL N . 52767 1 817 . 1 . 1 279 279 VAL H H 1 8.986 0.0000002064765 . . . . . . . 279 VAL H . 52767 1 818 . 1 . 1 279 279 VAL C C 13 177.53 . . . . . . . . 279 VAL C . 52767 1 819 . 1 . 1 279 279 VAL CA C 13 60.838 . . . . . . . . 279 VAL CA . 52767 1 820 . 1 . 1 279 279 VAL CB C 13 34.26 . . . . . . . . 279 VAL CB . 52767 1 821 . 1 . 1 279 279 VAL N N 15 127.524 0.0000019073486 . . . . . . . 279 VAL N . 52767 1 822 . 1 . 1 281 281 GLY C C 13 172.899 . . . . . . . . 281 GLY C . 52767 1 823 . 1 . 1 281 281 GLY CA C 13 44.6765 0.04195533339 . . . . . . . 281 GLY CA . 52767 1 824 . 1 . 1 282 282 GLN H H 1 7.812 0.000000146001 . . . . . . . 282 GLN H . 52767 1 825 . 1 . 1 282 282 GLN C C 13 174.7363333 0.0157550694 . . . . . . . 282 GLN C . 52767 1 826 . 1 . 1 282 282 GLN CA C 13 53.006 0.041 . . . . . . . 282 GLN CA . 52767 1 827 . 1 . 1 282 282 GLN CB C 13 30.89466667 0.03774770044 . . . . . . . 282 GLN CB . 52767 1 828 . 1 . 1 282 282 GLN N N 15 117.953 0.000 . . . . . . . 282 GLN N . 52767 1 829 . 1 . 1 283 283 LEU H H 1 8.904 0.0000001192093 . . . . . . . 283 LEU H . 52767 1 830 . 1 . 1 283 283 LEU C C 13 173.9985 0.00650000068 . . . . . . . 283 LEU C . 52767 1 831 . 1 . 1 283 283 LEU CA C 13 55.137 0.03365511352 . . . . . . . 283 LEU CA . 52767 1 832 . 1 . 1 283 283 LEU CB C 13 39.654 0.0369143152 . . . . . . . 283 LEU CB . 52767 1 833 . 1 . 1 283 283 LEU N N 15 124.653 0.0000013486992 . . . . . . . 283 LEU N . 52767 1 834 . 1 . 1 284 284 TRP H H 1 9.446 0.0000001192093 . . . . . . . 284 TRP H . 52767 1 835 . 1 . 1 284 284 TRP C C 13 178.312 . . . . . . . . 284 TRP C . 52767 1 836 . 1 . 1 284 284 TRP CA C 13 59.736 . . . . . . . . 284 TRP CA . 52767 1 837 . 1 . 1 284 284 TRP CB C 13 31.576 . . . . . . . . 284 TRP CB . 52767 1 838 . 1 . 1 284 284 TRP N N 15 133.95 0.0000026973983 . . . . . . . 284 TRP N . 52767 1 839 . 1 . 1 285 285 GLY H H 1 8.77 0.000 . . . . . . . 285 GLY H . 52767 1 840 . 1 . 1 285 285 GLY C C 13 170.772 0.005715475761 . . . . . . . 285 GLY C . 52767 1 841 . 1 . 1 285 285 GLY CA C 13 46.53433333 0.06800408484 . . . . . . . 285 GLY CA . 52767 1 842 . 1 . 1 285 285 GLY N N 15 104.417 0.000 . . . . . . . 285 GLY N . 52767 1 843 . 1 . 1 286 286 LEU H H 1 9.75 0.000 . . . . . . . 286 LEU H . 52767 1 844 . 1 . 1 286 286 LEU C C 13 176.9716667 0.02023747899 . . . . . . . 286 LEU C . 52767 1 845 . 1 . 1 286 286 LEU CA C 13 53.306 0.03335665849 . . . . . . . 286 LEU CA . 52767 1 846 . 1 . 1 286 286 LEU CB C 13 46.6085 0.0535 . . . . . . . 286 LEU CB . 52767 1 847 . 1 . 1 286 286 LEU N N 15 117.543 0.000 . . . . . . . 286 LEU N . 52767 1 848 . 1 . 1 287 287 ILE H H 1 9.223 0.000 . . . . . . . 287 ILE H . 52767 1 849 . 1 . 1 287 287 ILE C C 13 174.1753333 0.01552059557 . . . . . . . 287 ILE C . 52767 1 850 . 1 . 1 287 287 ILE CA C 13 60.98833333 0.02916999981 . . . . . . . 287 ILE CA . 52767 1 851 . 1 . 1 287 287 ILE CB C 13 37.05933333 0.03511251755 . . . . . . . 287 ILE CB . 52767 1 852 . 1 . 1 287 287 ILE N N 15 122.875 0.000 . . . . . . . 287 ILE N . 52767 1 853 . 1 . 1 288 288 ALA H H 1 9.249 0.0000001192093 . . . . . . . 288 ALA H . 52767 1 854 . 1 . 1 288 288 ALA C C 13 174.814 0.00199999852 . . . . . . . 288 ALA C . 52767 1 855 . 1 . 1 288 288 ALA CA C 13 50.938 0.030 . . . . . . . 288 ALA CA . 52767 1 856 . 1 . 1 288 288 ALA CB C 13 19.49033333 0.08215567878 . . . . . . . 288 ALA CB . 52767 1 857 . 1 . 1 288 288 ALA N N 15 132.719 0.0000019073486 . . . . . . . 288 ALA N . 52767 1 858 . 1 . 1 289 289 CYS H H 1 9.403 0.0000001192093 . . . . . . . 289 CYS H . 52767 1 859 . 1 . 1 289 289 CYS C C 13 174.6935 0.04550000001 . . . . . . . 289 CYS C . 52767 1 860 . 1 . 1 289 289 CYS CA C 13 55.71933333 0.04206608557 . . . . . . . 289 CYS CA . 52767 1 861 . 1 . 1 289 289 CYS CB C 13 29.56333333 0.1068155211 . . . . . . . 289 CYS CB . 52767 1 862 . 1 . 1 289 289 CYS N N 15 121.918 0.0000013486992 . . . . . . . 289 CYS N . 52767 1 863 . 1 . 1 290 290 HIS H H 1 9.429 0.0000001192093 . . . . . . . 290 HIS H . 52767 1 864 . 1 . 1 290 290 HIS C C 13 174.812 . . . . . . . . 290 HIS C . 52767 1 865 . 1 . 1 290 290 HIS CA C 13 52.2305 0.0155 . . . . . . . 290 HIS CA . 52767 1 866 . 1 . 1 290 290 HIS CB C 13 38.478 0.002999999977 . . . . . . . 290 HIS CB . 52767 1 867 . 1 . 1 290 290 HIS N N 15 120.141 0.0000013486992 . . . . . . . 290 HIS N . 52767 1 868 . 1 . 1 291 291 HIS H H 1 9.588 0.000 . . . . . . . 291 HIS H . 52767 1 869 . 1 . 1 291 291 HIS C C 13 177.390457 0.04245699992 . . . . . . . 291 HIS C . 52767 1 870 . 1 . 1 291 291 HIS CA C 13 55.08418971 0.03985443395 . . . . . . . 291 HIS CA . 52767 1 871 . 1 . 1 291 291 HIS CB C 13 36.80126752 0.07765811335 . . . . . . . 291 HIS CB . 52767 1 872 . 1 . 1 291 291 HIS N N 15 122.465 0.0000019073486 . . . . . . . 291 HIS N . 52767 1 873 . 1 . 1 292 292 GLN H H 1 9.952027304 0.00325079557 . . . . . . . 292 GLN H . 52767 1 874 . 1 . 1 292 292 GLN C C 13 174.9354154 0.01341539976 . . . . . . . 292 GLN C . 52767 1 875 . 1 . 1 292 292 GLN CA C 13 58.5217673 0.0007673052212 . . . . . . . 292 GLN CA . 52767 1 876 . 1 . 1 292 292 GLN CB C 13 29.00612712 0.03552867246 . . . . . . . 292 GLN CB . 52767 1 877 . 1 . 1 292 292 GLN N N 15 123.9698652 0.0000583536474 . . . . . . . 292 GLN N . 52767 1 878 . 1 . 1 293 293 THR H H 1 7.34 0.000000146001 . . . . . . . 293 THR H . 52767 1 879 . 1 . 1 293 293 THR C C 13 170.833 . . . . . . . . 293 THR C . 52767 1 880 . 1 . 1 293 293 THR CA C 13 57.934 . . . . . . . . 293 THR CA . 52767 1 881 . 1 . 1 293 293 THR CB C 13 68.946 . . . . . . . . 293 THR CB . 52767 1 882 . 1 . 1 293 293 THR N N 15 108.656 0.0000023360155 . . . . . . . 293 THR N . 52767 1 883 . 1 . 1 299 299 PRO C C 13 178.53 . . . . . . . . 299 PRO C . 52767 1 884 . 1 . 1 299 299 PRO CA C 13 65.831 0.01100000004 . . . . . . . 299 PRO CA . 52767 1 885 . 1 . 1 299 299 PRO CB C 13 31.432 0.058 . . . . . . . 299 PRO CB . 52767 1 886 . 1 . 1 300 300 ASP H H 1 8.986 0.0000002064765 . . . . . . . 300 ASP H . 52767 1 887 . 1 . 1 300 300 ASP C C 13 178.9275 0.01450000001 . . . . . . . 300 ASP C . 52767 1 888 . 1 . 1 300 300 ASP CA C 13 56.78833333 0.02701028612 . . . . . . . 300 ASP CA . 52767 1 889 . 1 . 1 300 300 ASP CB C 13 39.47166667 0.03878430381 . . . . . . . 300 ASP CB . 52767 1 890 . 1 . 1 300 300 ASP N N 15 115.766 0.0000013486992 . . . . . . . 300 ASP N . 52767 1 891 . 1 . 1 301 301 LEU H H 1 7.451 0.0000000842937 . . . . . . . 301 LEU H . 52767 1 892 . 1 . 1 301 301 LEU C C 13 178.953 0.01500000011 . . . . . . . 301 LEU C . 52767 1 893 . 1 . 1 301 301 LEU CA C 13 56.23166667 0.03674537008 . . . . . . . 301 LEU CA . 52767 1 894 . 1 . 1 301 301 LEU CB C 13 41.12333333 0.03873270223 . . . . . . . 301 LEU CB . 52767 1 895 . 1 . 1 301 301 LEU N N 15 121.645 0.0000013486992 . . . . . . . 301 LEU N . 52767 1 896 . 1 . 1 302 302 ARG H H 1 7.977245078 0.0006484167051 . . . . . . . 302 ARG H . 52767 1 897 . 1 . 1 302 302 ARG C C 13 178.103 0.01344123048 . . . . . . . 302 ARG C . 52767 1 898 . 1 . 1 302 302 ARG CA C 13 60.71270849 0.02172766582 . . . . . . . 302 ARG CA . 52767 1 899 . 1 . 1 302 302 ARG CB C 13 28.88466667 0.05261389762 . . . . . . . 302 ARG CB . 52767 1 900 . 1 . 1 302 302 ARG N N 15 120.004 0.0000013486992 . . . . . . . 302 ARG N . 52767 1 901 . 1 . 1 303 303 THR H H 1 8.106623859 0.004213334828 . . . . . . . 303 THR H . 52767 1 902 . 1 . 1 303 303 THR C C 13 176.9637622 0.01326686708 . . . . . . . 303 THR C . 52767 1 903 . 1 . 1 303 303 THR CA C 13 66.093 0.02000000004 . . . . . . . 303 THR CA . 52767 1 904 . 1 . 1 303 303 THR CB C 13 68.13973146 0.01533267183 . . . . . . . 303 THR CB . 52767 1 905 . 1 . 1 303 303 THR N N 15 114.8068178 0.002358885228 . . . . . . . 303 THR N . 52767 1 906 . 1 . 1 304 304 THR H H 1 7.631846712 0.004483340988 . . . . . . . 304 THR H . 52767 1 907 . 1 . 1 304 304 THR C C 13 175.7937742 0.03660986614 . . . . . . . 304 THR C . 52767 1 908 . 1 . 1 304 304 THR CA C 13 67.17501663 0.03424082876 . . . . . . . 304 THR CA . 52767 1 909 . 1 . 1 304 304 THR CB C 13 67.84330823 0.02456374388 . . . . . . . 304 THR CB . 52767 1 910 . 1 . 1 304 304 THR N N 15 119.9904 0.01520526212 . . . . . . . 304 THR N . 52767 1 911 . 1 . 1 305 305 LEU H H 1 8.237788379 0.002791222544 . . . . . . . 305 LEU H . 52767 1 912 . 1 . 1 305 305 LEU C C 13 178.6056667 0.02776488575 . . . . . . . 305 LEU C . 52767 1 913 . 1 . 1 305 305 LEU CA C 13 57.79175261 0.01022518722 . . . . . . . 305 LEU CA . 52767 1 914 . 1 . 1 305 305 LEU CB C 13 40.39966667 0.03386574802 . . . . . . . 305 LEU CB . 52767 1 915 . 1 . 1 305 305 LEU N N 15 121.3711854 0.0003211235405 . . . . . . . 305 LEU N . 52767 1 916 . 1 . 1 306 306 GLU H H 1 8.349 0.0000001685874 . . . . . . . 306 GLU H . 52767 1 917 . 1 . 1 306 306 GLU C C 13 179.555 0.0139999999 . . . . . . . 306 GLU C . 52767 1 918 . 1 . 1 306 306 GLU CA C 13 60.03245862 0.01423774978 . . . . . . . 306 GLU CA . 52767 1 919 . 1 . 1 306 306 GLU CB C 13 28.90733333 0.04954683531 . . . . . . . 306 GLU CB . 52767 1 920 . 1 . 1 306 306 GLU N N 15 120.277 0.0000013486992 . . . . . . . 306 GLU N . 52767 1 921 . 1 . 1 307 307 TYR H H 1 8.155686283 0.00236294514 . . . . . . . 307 TYR H . 52767 1 922 . 1 . 1 307 307 TYR C C 13 178.6779002 0.0003225901173 . . . . . . . 307 TYR C . 52767 1 923 . 1 . 1 307 307 TYR CA C 13 60.78801129 0.000 . . . . . . . 307 TYR CA . 52767 1 924 . 1 . 1 307 307 TYR CB C 13 37.11878678 0.007696416279 . . . . . . . 307 TYR CB . 52767 1 925 . 1 . 1 307 307 TYR N N 15 120.2663024 0.02052883494 . . . . . . . 307 TYR N . 52767 1 926 . 1 . 1 308 308 LEU H H 1 8.678498396 0.001239327787 . . . . . . . 308 LEU H . 52767 1 927 . 1 . 1 308 308 LEU C C 13 179.1459113 0.01391134202 . . . . . . . 308 LEU C . 52767 1 928 . 1 . 1 308 308 LEU CA C 13 58.05221974 0.01147743916 . . . . . . . 308 LEU CA . 52767 1 929 . 1 . 1 308 308 LEU CB C 13 40.77681666 0.02562291599 . . . . . . . 308 LEU CB . 52767 1 930 . 1 . 1 308 308 LEU N N 15 121.0980879 0.0001799894477 . . . . . . . 308 LEU N . 52767 1 931 . 1 . 1 309 309 GLY H H 1 8.950978448 0.0000570221784 . . . . . . . 309 GLY H . 52767 1 932 . 1 . 1 309 309 GLY C C 13 176.1274475 0.002447532626 . . . . . . . 309 GLY C . 52767 1 933 . 1 . 1 309 309 GLY CA C 13 47.07333333 0.04227160855 . . . . . . . 309 GLY CA . 52767 1 934 . 1 . 1 309 309 GLY N N 15 107.425 0.0000023360155 . . . . . . . 309 GLY N . 52767 1 935 . 1 . 1 310 310 ARG H H 1 8.046 0.000 . . . . . . . 310 ARG H . 52767 1 936 . 1 . 1 310 310 ARG C C 13 179.7195 0.0135000002 . . . . . . . 310 ARG C . 52767 1 937 . 1 . 1 310 310 ARG CA C 13 59.5315 0.009500000028 . . . . . . . 310 ARG CA . 52767 1 938 . 1 . 1 310 310 ARG CB C 13 29.082 0.04626733909 . . . . . . . 310 ARG CB . 52767 1 939 . 1 . 1 310 310 ARG N N 15 123.285 0.0000023360155 . . . . . . . 310 ARG N . 52767 1 940 . 1 . 1 311 311 GLU H H 1 8.255857143 0.00135526185 . . . . . . . 311 GLU H . 52767 1 941 . 1 . 1 311 311 GLU C C 13 179.7245 0.008500000048 . . . . . . . 311 GLU C . 52767 1 942 . 1 . 1 311 311 GLU CA C 13 58.24133333 0.01887385022 . . . . . . . 311 GLU CA . 52767 1 943 . 1 . 1 311 311 GLU CB C 13 28.114 0.07568795589 . . . . . . . 311 GLU CB . 52767 1 944 . 1 . 1 311 311 GLU N N 15 121.235 0.000 . . . . . . . 311 GLU N . 52767 1 945 . 1 . 1 312 312 LEU H H 1 9.31 0.000 . . . . . . . 312 LEU H . 52767 1 946 . 1 . 1 312 312 LEU C C 13 177.9983754 0.01137544995 . . . . . . . 312 LEU C . 52767 1 947 . 1 . 1 312 312 LEU CA C 13 57.6406775 0.0287657434 . . . . . . . 312 LEU CA . 52767 1 948 . 1 . 1 312 312 LEU CB C 13 40.60742445 0.0427265407 . . . . . . . 312 LEU CB . 52767 1 949 . 1 . 1 312 312 LEU N N 15 120.688 0.0000019073486 . . . . . . . 312 LEU N . 52767 1 950 . 1 . 1 313 313 SER H H 1 8.167125287 0.0001154327009 . . . . . . . 313 SER H . 52767 1 951 . 1 . 1 313 313 SER CA C 13 62.41380744 . . . . . . . . 313 SER CA . 52767 1 952 . 1 . 1 313 313 SER N N 15 114.8081173 0.0001410600053 . . . . . . . 313 SER N . 52767 1 953 . 1 . 1 337 337 ARG C C 13 179.679 . . . . . . . . 337 ARG C . 52767 1 954 . 1 . 1 337 337 ARG CA C 13 59.3015 0.02349999999 . . . . . . . 337 ARG CA . 52767 1 955 . 1 . 1 337 337 ARG CB C 13 29.827 . . . . . . . . 337 ARG CB . 52767 1 956 . 1 . 1 338 338 VAL H H 1 7.98659286 0.006351183973 . . . . . . . 338 VAL H . 52767 1 957 . 1 . 1 338 338 VAL C C 13 177.0235247 0.03047534995 . . . . . . . 338 VAL C . 52767 1 958 . 1 . 1 338 338 VAL CA C 13 65.83339218 0.02710449563 . . . . . . . 338 VAL CA . 52767 1 959 . 1 . 1 338 338 VAL CB C 13 30.438 0.048 . . . . . . . 338 VAL CB . 52767 1 960 . 1 . 1 338 338 VAL N N 15 121.3711491 0.4100724165 . . . . . . . 338 VAL N . 52767 1 961 . 1 . 1 339 339 ALA H H 1 8.81441569 0.003339205924 . . . . . . . 339 ALA H . 52767 1 962 . 1 . 1 339 339 ALA C C 13 180.2503423 0.02534228396 . . . . . . . 339 ALA C . 52767 1 963 . 1 . 1 339 339 ALA CA C 13 54.949 0.05283937925 . . . . . . . 339 ALA CA . 52767 1 964 . 1 . 1 339 339 ALA CB C 13 17.386 0.04758851402 . . . . . . . 339 ALA CB . 52767 1 965 . 1 . 1 339 339 ALA N N 15 121.781 0.000 . . . . . . . 339 ALA N . 52767 1 966 . 1 . 1 340 340 LEU H H 1 7.923593595 0.002981342891 . . . . . . . 340 LEU H . 52767 1 967 . 1 . 1 340 340 LEU C C 13 179.2074312 0.01444704347 . . . . . . . 340 LEU C . 52767 1 968 . 1 . 1 340 340 LEU CA C 13 57.312 0.02600000001 . . . . . . . 340 LEU CA . 52767 1 969 . 1 . 1 340 340 LEU CB C 13 41.23146537 0.01823268657 . . . . . . . 340 LEU CB . 52767 1 970 . 1 . 1 340 340 LEU N N 15 118.0952667 0.009853030925 . . . . . . . 340 LEU N . 52767 1 971 . 1 . 1 341 341 ALA H H 1 7.574526284 0.0018475147 . . . . . . . 341 ALA H . 52767 1 972 . 1 . 1 341 341 ALA C C 13 180.3978214 0.006237677444 . . . . . . . 341 ALA C . 52767 1 973 . 1 . 1 341 341 ALA CA C 13 54.13033333 0.01027402337 . . . . . . . 341 ALA CA . 52767 1 974 . 1 . 1 341 341 ALA CB C 13 18.42009747 0.02420426588 . . . . . . . 341 ALA CB . 52767 1 975 . 1 . 1 341 341 ALA N N 15 120.9717455 0.01926883326 . . . . . . . 341 ALA N . 52767 1 976 . 1 . 1 342 342 ALA H H 1 8.533 0.0000001192093 . . . . . . . 342 ALA H . 52767 1 977 . 1 . 1 342 342 ALA C C 13 177.864 0.009999999874 . . . . . . . 342 ALA C . 52767 1 978 . 1 . 1 342 342 ALA CA C 13 53.458 0.027 . . . . . . . 342 ALA CA . 52767 1 979 . 1 . 1 342 342 ALA CB C 13 17.294 0.035 . . . . . . . 342 ALA CB . 52767 1 980 . 1 . 1 342 342 ALA N N 15 118.227 0.0000023360155 . . . . . . . 342 ALA N . 52767 1 981 . 1 . 1 343 343 ALA H H 1 7.531 0.000 . . . . . . . 343 ALA H . 52767 1 982 . 1 . 1 343 343 ALA C C 13 178.1015 0.008500000262 . . . . . . . 343 ALA C . 52767 1 983 . 1 . 1 343 343 ALA CA C 13 53.44146174 0.04122993427 . . . . . . . 343 ALA CA . 52767 1 984 . 1 . 1 343 343 ALA CB C 13 17.64833333 0.02778888667 . . . . . . . 343 ALA CB . 52767 1 985 . 1 . 1 343 343 ALA N N 15 118.09 0.0000023360155 . . . . . . . 343 ALA N . 52767 1 986 . 1 . 1 344 344 HIS H H 1 7.600998658 0.0000025147227 . . . . . . . 344 HIS H . 52767 1 987 . 1 . 1 344 344 HIS C C 13 174.828 . . . . . . . . 344 HIS C . 52767 1 988 . 1 . 1 344 344 HIS CA C 13 55.279 . . . . . . . . 344 HIS CA . 52767 1 989 . 1 . 1 344 344 HIS CB C 13 29.491 . . . . . . . . 344 HIS CB . 52767 1 990 . 1 . 1 344 344 HIS N N 15 115.0957778 0.02577586193 . . . . . . . 344 HIS N . 52767 1 991 . 1 . 1 348 348 PRO C C 13 177.874 . . . . . . . . 348 PRO C . 52767 1 992 . 1 . 1 348 348 PRO CA C 13 64.7285 0.0415 . . . . . . . 348 PRO CA . 52767 1 993 . 1 . 1 348 348 PRO CB C 13 29.967 . . . . . . . . 348 PRO CB . 52767 1 994 . 1 . 1 349 349 HIS H H 1 8.178 0.0000001685874 . . . . . . . 349 HIS H . 52767 1 995 . 1 . 1 349 349 HIS C C 13 178.3146667 0.01078064139 . . . . . . . 349 HIS C . 52767 1 996 . 1 . 1 349 349 HIS CA C 13 60.04566667 0.02955597325 . . . . . . . 349 HIS CA . 52767 1 997 . 1 . 1 349 349 HIS CB C 13 30.40633333 0.03370789555 . . . . . . . 349 HIS CB . 52767 1 998 . 1 . 1 349 349 HIS N N 15 114.125 0.000 . . . . . . . 349 HIS N . 52767 1 999 . 1 . 1 350 350 ASP H H 1 7.6335611 0.001587030198 . . . . . . . 350 ASP H . 52767 1 1000 . 1 . 1 350 350 ASP C C 13 177.7883333 0.03370789564 . . . . . . . 350 ASP C . 52767 1 1001 . 1 . 1 350 350 ASP CA C 13 56.324 0.03409789826 . . . . . . . 350 ASP CA . 52767 1 1002 . 1 . 1 350 350 ASP CB C 13 40.74714999 0.03950372885 . . . . . . . 350 ASP CB . 52767 1 1003 . 1 . 1 350 350 ASP N N 15 118.910025 0.0000706105513 . . . . . . . 350 ASP N . 52767 1 1004 . 1 . 1 351 351 THR H H 1 8.134 0.0000001192093 . . . . . . . 351 THR H . 52767 1 1005 . 1 . 1 351 351 THR C C 13 176.317 0.02599999985 . . . . . . . 351 THR C . 52767 1 1006 . 1 . 1 351 351 THR CA C 13 65.38333333 0.03857748337 . . . . . . . 351 THR CA . 52767 1 1007 . 1 . 1 351 351 THR CB C 13 68.997 0.02177154107 . . . . . . . 351 THR CB . 52767 1 1008 . 1 . 1 351 351 THR N N 15 114.535 0.0000019073486 . . . . . . . 351 THR N . 52767 1 1009 . 1 . 1 352 352 LEU H H 1 8.236 0.0000001685874 . . . . . . . 352 LEU H . 52767 1 1010 . 1 . 1 352 352 LEU C C 13 176.111 0.01186029793 . . . . . . . 352 LEU C . 52767 1 1011 . 1 . 1 352 352 LEU CA C 13 56.15866667 0.02252899366 . . . . . . . 352 LEU CA . 52767 1 1012 . 1 . 1 352 352 LEU CB C 13 39.58433333 0.0486643835 . . . . . . . 352 LEU CB . 52767 1 1013 . 1 . 1 352 352 LEU N N 15 115.629 0.0000019073486 . . . . . . . 352 LEU N . 52767 1 1014 . 1 . 1 353 353 SER H H 1 7.293 0.0000001192093 . . . . . . . 353 SER H . 52767 1 1015 . 1 . 1 353 353 SER C C 13 173.219 0.008000000217 . . . . . . . 353 SER C . 52767 1 1016 . 1 . 1 353 353 SER CA C 13 57.514 0.02084866101 . . . . . . . 353 SER CA . 52767 1 1017 . 1 . 1 353 353 SER CB C 13 63.2935 0.04749999999 . . . . . . . 353 SER CB . 52767 1 1018 . 1 . 1 353 353 SER N N 15 109.613 0.0000026973983 . . . . . . . 353 SER N . 52767 1 1019 . 1 . 1 354 354 ASP H H 1 6.984 0.0000001192093 . . . . . . . 354 ASP H . 52767 1 1020 . 1 . 1 354 354 ASP C C 13 177.202 . . . . . . . . 354 ASP C . 52767 1 1021 . 1 . 1 354 354 ASP CA C 13 51.778 . . . . . . . . 354 ASP CA . 52767 1 1022 . 1 . 1 354 354 ASP CB C 13 42.056 . . . . . . . . 354 ASP CB . 52767 1 1023 . 1 . 1 354 354 ASP N N 15 123.559 0.0000013486992 . . . . . . . 354 ASP N . 52767 1 1024 . 1 . 1 355 355 PRO C C 13 179.412 0.006999999886 . . . . . . . 355 PRO C . 52767 1 1025 . 1 . 1 355 355 PRO CA C 13 64.676 0.03400000002 . . . . . . . 355 PRO CA . 52767 1 1026 . 1 . 1 355 355 PRO CB C 13 31.3365 0.0405 . . . . . . . 355 PRO CB . 52767 1 1027 . 1 . 1 356 356 ALA H H 1 8.805 0.000 . . . . . . . 356 ALA H . 52767 1 1028 . 1 . 1 356 356 ALA C C 13 179.933 0.01899999996 . . . . . . . 356 ALA C . 52767 1 1029 . 1 . 1 356 356 ALA CA C 13 53.79689796 0.01094897779 . . . . . . . 356 ALA CA . 52767 1 1030 . 1 . 1 356 356 ALA CB C 13 17.65933333 0.01943078886 . . . . . . . 356 ALA CB . 52767 1 1031 . 1 . 1 356 356 ALA N N 15 120.824 0.0000013486992 . . . . . . . 356 ALA N . 52767 1 1032 . 1 . 1 357 357 LEU H H 1 7.75592927 0.001311371674 . . . . . . . 357 LEU H . 52767 1 1033 . 1 . 1 357 357 LEU C C 13 177.4045 0.03249999999 . . . . . . . 357 LEU C . 52767 1 1034 . 1 . 1 357 357 LEU CA C 13 55.616 0.03225936556 . . . . . . . 357 LEU CA . 52767 1 1035 . 1 . 1 357 357 LEU CB C 13 41.442 0.03470830832 . . . . . . . 357 LEU CB . 52767 1 1036 . 1 . 1 357 357 LEU N N 15 117.6608634 0.02343748863 . . . . . . . 357 LEU N . 52767 1 1037 . 1 . 1 358 358 ASP H H 1 7.628 0.0000001192093 . . . . . . . 358 ASP H . 52767 1 1038 . 1 . 1 358 358 ASP C C 13 175.904 0.002000000339 . . . . . . . 358 ASP C . 52767 1 1039 . 1 . 1 358 358 ASP CA C 13 54.39266667 0.05327496807 . . . . . . . 358 ASP CA . 52767 1 1040 . 1 . 1 358 358 ASP CB C 13 39.43966667 0.02854625874 . . . . . . . 358 ASP CB . 52767 1 1041 . 1 . 1 358 358 ASP N N 15 114.808 0.0000013486992 . . . . . . . 358 ASP N . 52767 1 1042 . 1 . 1 359 359 LEU H H 1 8.508 0.0000002064765 . . . . . . . 359 LEU H . 52767 1 1043 . 1 . 1 359 359 LEU C C 13 180.809 0.01296148135 . . . . . . . 359 LEU C . 52767 1 1044 . 1 . 1 359 359 LEU CA C 13 57.525 0.01143095214 . . . . . . . 359 LEU CA . 52767 1 1045 . 1 . 1 359 359 LEU CB C 13 41.3437085 0.03516026733 . . . . . . . 359 LEU CB . 52767 1 1046 . 1 . 1 359 359 LEU N N 15 120.277 0.0000013486992 . . . . . . . 359 LEU N . 52767 1 1047 . 1 . 1 360 360 LEU H H 1 8.972465485 0.002170158729 . . . . . . . 360 LEU H . 52767 1 1048 . 1 . 1 360 360 LEU C C 13 178.611 0.02900000002 . . . . . . . 360 LEU C . 52767 1 1049 . 1 . 1 360 360 LEU CA C 13 58.69833333 0.0379853773 . . . . . . . 360 LEU CA . 52767 1 1050 . 1 . 1 360 360 LEU CB C 13 41.51605484 0.003090550508 . . . . . . . 360 LEU CB . 52767 1 1051 . 1 . 1 360 360 LEU N N 15 119.8671386 0.0001959748511 . . . . . . . 360 LEU N . 52767 1 1052 . 1 . 1 361 361 GLY H H 1 8.098130351 0.003367021548 . . . . . . . 361 GLY H . 52767 1 1053 . 1 . 1 361 361 GLY C C 13 177.9226667 0.01732692167 . . . . . . . 361 GLY C . 52767 1 1054 . 1 . 1 361 361 GLY CA C 13 46.74033333 0.03743735508 . . . . . . . 361 GLY CA . 52767 1 1055 . 1 . 1 361 361 GLY N N 15 109.066 0.0000023360155 . . . . . . . 361 GLY N . 52767 1 1056 . 1 . 1 362 362 LEU H H 1 7.999 0.0000000842937 . . . . . . . 362 LEU H . 52767 1 1057 . 1 . 1 362 362 LEU C C 13 175.0725 0.0135000002 . . . . . . . 362 LEU C . 52767 1 1058 . 1 . 1 362 362 LEU CA C 13 57.79433333 0.03198263419 . . . . . . . 362 LEU CA . 52767 1 1059 . 1 . 1 362 362 LEU CB C 13 41.67933333 0.05395265413 . . . . . . . 362 LEU CB . 52767 1 1060 . 1 . 1 362 362 LEU N N 15 123.559 0.000 . . . . . . . 362 LEU N . 52767 1 1061 . 1 . 1 363 363 MET H H 1 6.117 0.0000001192093 . . . . . . . 363 MET H . 52767 1 1062 . 1 . 1 363 363 MET C C 13 175.1356667 0.02075786322 . . . . . . . 363 MET C . 52767 1 1063 . 1 . 1 363 363 MET CA C 13 51.59933333 0.05675874871 . . . . . . . 363 MET CA . 52767 1 1064 . 1 . 1 363 363 MET CB C 13 32.811 0.084 . . . . . . . 363 MET CB . 52767 1 1065 . 1 . 1 363 363 MET N N 15 108.656 0.0000023360155 . . . . . . . 363 MET N . 52767 1 1066 . 1 . 1 364 364 ARG H H 1 8.201 0.0000001192093 . . . . . . . 364 ARG H . 52767 1 1067 . 1 . 1 364 364 ARG C C 13 175.905 0.0009999983503 . . . . . . . 364 ARG C . 52767 1 1068 . 1 . 1 364 364 ARG CA C 13 56.755 0.03500000001 . . . . . . . 364 ARG CA . 52767 1 1069 . 1 . 1 364 364 ARG CB C 13 27.505 0.018 . . . . . . . 364 ARG CB . 52767 1 1070 . 1 . 1 364 364 ARG N N 15 119.32 0.0000019073486 . . . . . . . 364 ARG N . 52767 1 1071 . 1 . 1 365 365 ALA H H 1 8.378 0.000 . . . . . . . 365 ALA H . 52767 1 1072 . 1 . 1 365 365 ALA C C 13 176.6063333 0.008219218955 . . . . . . . 365 ALA C . 52767 1 1073 . 1 . 1 365 365 ALA CA C 13 50.946 0.04984643083 . . . . . . . 365 ALA CA . 52767 1 1074 . 1 . 1 365 365 ALA CB C 13 22.21133333 0.06661998366 . . . . . . . 365 ALA CB . 52767 1 1075 . 1 . 1 365 365 ALA N N 15 121.235 0.000 . . . . . . . 365 ALA N . 52767 1 1076 . 1 . 1 366 366 GLY H H 1 9.373 0.000 . . . . . . . 366 GLY H . 52767 1 1077 . 1 . 1 366 366 GLY C C 13 175.1445 0.003499999813 . . . . . . . 366 GLY C . 52767 1 1078 . 1 . 1 366 366 GLY CA C 13 45.44675 0.01551410647 . . . . . . . 366 GLY CA . 52767 1 1079 . 1 . 1 366 366 GLY N N 15 106.605 0.0000013486992 . . . . . . . 366 GLY N . 52767 1 1080 . 1 . 1 367 367 GLY H H 1 8.304 0.000 . . . . . . . 367 GLY H . 52767 1 1081 . 1 . 1 367 367 GLY C C 13 170.823 0.003559025664 . . . . . . . 367 GLY C . 52767 1 1082 . 1 . 1 367 367 GLY CA C 13 44.67333333 0.03275498267 . . . . . . . 367 GLY CA . 52767 1 1083 . 1 . 1 367 367 GLY N N 15 109.75 0.000 . . . . . . . 367 GLY N . 52767 1 1084 . 1 . 1 368 368 LEU H H 1 8.808743103 0.002101813578 . . . . . . . 368 LEU H . 52767 1 1085 . 1 . 1 368 368 LEU C C 13 174.4540837 0.02991731307 . . . . . . . 368 LEU C . 52767 1 1086 . 1 . 1 368 368 LEU CA C 13 53.4659683 0.03884041855 . . . . . . . 368 LEU CA . 52767 1 1087 . 1 . 1 368 368 LEU CB C 13 46.349 0.03747888295 . . . . . . . 368 LEU CB . 52767 1 1088 . 1 . 1 368 368 LEU N N 15 122.875 0.000 . . . . . . . 368 LEU N . 52767 1 1089 . 1 . 1 369 369 ILE H H 1 9.4630482 0.0001363295177 . . . . . . . 369 ILE H . 52767 1 1090 . 1 . 1 369 369 ILE C C 13 174.314 0.01608311768 . . . . . . . 369 ILE C . 52767 1 1091 . 1 . 1 369 369 ILE CA C 13 59.78766667 0.04461937795 . . . . . . . 369 ILE CA . 52767 1 1092 . 1 . 1 369 369 ILE CB C 13 39.68466667 0.02120272519 . . . . . . . 369 ILE CB . 52767 1 1093 . 1 . 1 369 369 ILE N N 15 124.653 0.0000013486992 . . . . . . . 369 ILE N . 52767 1 1094 . 1 . 1 370 370 LEU H H 1 9.122 0.0000001192093 . . . . . . . 370 LEU H . 52767 1 1095 . 1 . 1 370 370 LEU C C 13 175.138 0.005715475761 . . . . . . . 370 LEU C . 52767 1 1096 . 1 . 1 370 370 LEU CA C 13 53.62133333 0.03090127651 . . . . . . . 370 LEU CA . 52767 1 1097 . 1 . 1 370 370 LEU CB C 13 43.12333333 0.03449959742 . . . . . . . 370 LEU CB . 52767 1 1098 . 1 . 1 370 370 LEU N N 15 125.473 0.0000019073486 . . . . . . . 370 LEU N . 52767 1 1099 . 1 . 1 371 371 ARG H H 1 8.607 0.000 . . . . . . . 371 ARG H . 52767 1 1100 . 1 . 1 371 371 ARG C C 13 172.856 0.009416297976 . . . . . . . 371 ARG C . 52767 1 1101 . 1 . 1 371 371 ARG CA C 13 55.36733333 0.03724990678 . . . . . . . 371 ARG CA . 52767 1 1102 . 1 . 1 371 371 ARG CB C 13 32.59233333 0.03111626942 . . . . . . . 371 ARG CB . 52767 1 1103 . 1 . 1 371 371 ARG N N 15 126.157 0.000 . . . . . . . 371 ARG N . 52767 1 1104 . 1 . 1 372 372 PHE H H 1 8.478 0.000 . . . . . . . 372 PHE H . 52767 1 1105 . 1 . 1 372 372 PHE C C 13 176.2735 0.01549999975 . . . . . . . 372 PHE C . 52767 1 1106 . 1 . 1 372 372 PHE CA C 13 56.8855 0.0405 . . . . . . . 372 PHE CA . 52767 1 1107 . 1 . 1 372 372 PHE CB C 13 43.44133333 0.02522344587 . . . . . . . 372 PHE CB . 52767 1 1108 . 1 . 1 372 372 PHE N N 15 119.184 0.0000013486992 . . . . . . . 372 PHE N . 52767 1 1109 . 1 . 1 373 373 GLU H H 1 10.483 0.0000002384186 . . . . . . . 373 GLU H . 52767 1 1110 . 1 . 1 373 373 GLU C C 13 176.6096667 0.01181336389 . . . . . . . 373 GLU C . 52767 1 1111 . 1 . 1 373 373 GLU CA C 13 56.79833333 0.03249957263 . . . . . . . 373 GLU CA . 52767 1 1112 . 1 . 1 373 373 GLU CB C 13 27.42466667 0.03904128868 . . . . . . . 373 GLU CB . 52767 1 1113 . 1 . 1 373 373 GLU N N 15 120.961 0.0000013486992 . . . . . . . 373 GLU N . 52767 1 1114 . 1 . 1 374 374 GLY H H 1 8.895 0.0000001685874 . . . . . . . 374 GLY H . 52767 1 1115 . 1 . 1 374 374 GLY C C 13 174.1501531 0.009319733451 . . . . . . . 374 GLY C . 52767 1 1116 . 1 . 1 374 374 GLY CA C 13 45.462 0.02600640948 . . . . . . . 374 GLY CA . 52767 1 1117 . 1 . 1 374 374 GLY N N 15 104.964 0.0000026973983 . . . . . . . 374 GLY N . 52767 1 1118 . 1 . 1 375 375 ARG H H 1 8.377931096 0.0001948901994 . . . . . . . 375 ARG H . 52767 1 1119 . 1 . 1 375 375 ARG C C 13 174.032 0.01067707819 . . . . . . . 375 ARG C . 52767 1 1120 . 1 . 1 375 375 ARG CA C 13 54.21333333 0.03655437351 . . . . . . . 375 ARG CA . 52767 1 1121 . 1 . 1 375 375 ARG CB C 13 32.43366667 0.02994810325 . . . . . . . 375 ARG CB . 52767 1 1122 . 1 . 1 375 375 ARG N N 15 119.7461111 0.04274067658 . . . . . . . 375 ARG N . 52767 1 1123 . 1 . 1 376 376 TRP H H 1 8.381 0.0000001192093 . . . . . . . 376 TRP H . 52767 1 1124 . 1 . 1 376 376 TRP C C 13 175.8323333 0.01381625501 . . . . . . . 376 TRP C . 52767 1 1125 . 1 . 1 376 376 TRP CA C 13 53.06666667 0.02714569743 . . . . . . . 376 TRP CA . 52767 1 1126 . 1 . 1 376 376 TRP CB C 13 33.41633333 0.02375336234 . . . . . . . 376 TRP CB . 52767 1 1127 . 1 . 1 376 376 TRP N N 15 118.363 0.0000023360155 . . . . . . . 376 TRP N . 52767 1 1128 . 1 . 1 377 377 GLN H H 1 9.534 0.000 . . . . . . . 377 GLN H . 52767 1 1129 . 1 . 1 377 377 GLN C C 13 174.4923333 0.006548960343 . . . . . . . 377 GLN C . 52767 1 1130 . 1 . 1 377 377 GLN CA C 13 54.60966667 0.02762044331 . . . . . . . 377 GLN CA . 52767 1 1131 . 1 . 1 377 377 GLN CB C 13 32.81033333 0.04079487985 . . . . . . . 377 GLN CB . 52767 1 1132 . 1 . 1 377 377 GLN N N 15 118.637 0.0000023360155 . . . . . . . 377 GLN N . 52767 1 1133 . 1 . 1 378 378 THR H H 1 9.017 0.0000001685874 . . . . . . . 378 THR H . 52767 1 1134 . 1 . 1 378 378 THR C C 13 173.9455 0.007500000421 . . . . . . . 378 THR C . 52767 1 1135 . 1 . 1 378 378 THR CA C 13 59.46861753 0.03508489429 . . . . . . . 378 THR CA . 52767 1 1136 . 1 . 1 378 378 THR CB C 13 71.68528935 0.01929648207 . . . . . . . 378 THR CB . 52767 1 1137 . 1 . 1 378 378 THR N N 15 111.664 0.0000013486992 . . . . . . . 378 THR N . 52767 1 1138 . 1 . 1 379 379 LEU H H 1 9.085039126 0.0000715186195 . . . . . . . 379 LEU H . 52767 1 1139 . 1 . 1 379 379 LEU C C 13 176.8490383 0.01403829974 . . . . . . . 379 LEU C . 52767 1 1140 . 1 . 1 379 379 LEU CA C 13 54.3 0.029 . . . . . . . 379 LEU CA . 52767 1 1141 . 1 . 1 379 379 LEU CB C 13 45.77374415 0.03670615264 . . . . . . . 379 LEU CB . 52767 1 1142 . 1 . 1 379 379 LEU N N 15 120.4922468 0.0677638941 . . . . . . . 379 LEU N . 52767 1 1143 . 1 . 1 380 380 GLY H H 1 8.858 0.0000002064765 . . . . . . . 380 GLY H . 52767 1 1144 . 1 . 1 380 380 GLY C C 13 174.1336667 0.01840893469 . . . . . . . 380 GLY C . 52767 1 1145 . 1 . 1 380 380 GLY CA C 13 45.27333333 0.03457680661 . . . . . . . 380 GLY CA . 52767 1 1146 . 1 . 1 380 380 GLY N N 15 108.246 0.000 . . . . . . . 380 GLY N . 52767 1 1147 . 1 . 1 381 381 GLU H H 1 9.035 0.002828427121 . . . . . . . 381 GLU H . 52767 1 1148 . 1 . 1 381 381 GLU C C 13 174.7443333 0.01291854847 . . . . . . . 381 GLU C . 52767 1 1149 . 1 . 1 381 381 GLU CA C 13 55.73466667 0.03193048003 . . . . . . . 381 GLU CA . 52767 1 1150 . 1 . 1 381 381 GLU CB C 13 29.08933333 0.03320977098 . . . . . . . 381 GLU CB . 52767 1 1151 . 1 . 1 381 381 GLU N N 15 125.473 0.0000019073486 . . . . . . . 381 GLU N . 52767 1 1152 . 1 . 1 382 382 VAL H H 1 8.049 0.000 . . . . . . . 382 VAL H . 52767 1 1153 . 1 . 1 382 382 VAL C C 13 173.305 . . . . . . . . 382 VAL C . 52767 1 1154 . 1 . 1 382 382 VAL CA C 13 57.549 . . . . . . . . 382 VAL CA . 52767 1 1155 . 1 . 1 382 382 VAL CB C 13 32.899 . . . . . . . . 382 VAL CB . 52767 1 1156 . 1 . 1 382 382 VAL N N 15 117.68 0.0000026973983 . . . . . . . 382 VAL N . 52767 1 1157 . 1 . 1 386 386 PRO C C 13 180.116 . . . . . . . . 386 PRO C . 52767 1 1158 . 1 . 1 386 386 PRO CA C 13 65.4935 0.01649999995 . . . . . . . 386 PRO CA . 52767 1 1159 . 1 . 1 386 386 PRO CB C 13 29.936 0.017 . . . . . . . 386 PRO CB . 52767 1 1160 . 1 . 1 387 387 ALA H H 1 7.523 0.000000146001 . . . . . . . 387 ALA H . 52767 1 1161 . 1 . 1 387 387 ALA C C 13 179.1873333 0.005312459365 . . . . . . . 387 ALA C . 52767 1 1162 . 1 . 1 387 387 ALA CA C 13 53.81733333 0.03034615114 . . . . . . . 387 ALA CA . 52767 1 1163 . 1 . 1 387 387 ALA CB C 13 18.60633333 0.04677843758 . . . . . . . 387 ALA CB . 52767 1 1164 . 1 . 1 387 387 ALA N N 15 120.414 0.0000013486992 . . . . . . . 387 ALA N . 52767 1 1165 . 1 . 1 388 388 VAL H H 1 7.888 0.000000146001 . . . . . . . 388 VAL H . 52767 1 1166 . 1 . 1 388 388 VAL C C 13 177.9765 0.007500000421 . . . . . . . 388 VAL C . 52767 1 1167 . 1 . 1 388 388 VAL CA C 13 66.985 0.02539028686 . . . . . . . 388 VAL CA . 52767 1 1168 . 1 . 1 388 388 VAL CB C 13 29.911 0.03418576702 . . . . . . . 388 VAL CB . 52767 1 1169 . 1 . 1 388 388 VAL N N 15 121.098 0.0000026973983 . . . . . . . 388 VAL N . 52767 1 1170 . 1 . 1 389 389 ASP H H 1 8.205 0.000 . . . . . . . 389 ASP H . 52767 1 1171 . 1 . 1 389 389 ASP C C 13 179.646 0.03299999991 . . . . . . . 389 ASP C . 52767 1 1172 . 1 . 1 389 389 ASP CA C 13 57.88598098 0.03898097706 . . . . . . . 389 ASP CA . 52767 1 1173 . 1 . 1 389 389 ASP CB C 13 40.154 0.06081118318 . . . . . . . 389 ASP CB . 52767 1 1174 . 1 . 1 389 389 ASP N N 15 117.953 0.000 . . . . . . . 389 ASP N . 52767 1 1175 . 1 . 1 390 390 ALA H H 1 7.777196156 0.001711267671 . . . . . . . 390 ALA H . 52767 1 1176 . 1 . 1 390 390 ALA C C 13 179.5291132 0.01411316196 . . . . . . . 390 ALA C . 52767 1 1177 . 1 . 1 390 390 ALA CA C 13 54.75766667 0.01541283737 . . . . . . . 390 ALA CA . 52767 1 1178 . 1 . 1 390 390 ALA CB C 13 17.34433333 0.02980305726 . . . . . . . 390 ALA CB . 52767 1 1179 . 1 . 1 390 390 ALA N N 15 122.602 0.0000023360155 . . . . . . . 390 ALA N . 52767 1 1180 . 1 . 1 391 391 LEU H H 1 8.71 0.000 . . . . . . . 391 LEU H . 52767 1 1181 . 1 . 1 391 391 LEU C C 13 178.92 0.005715476397 . . . . . . . 391 LEU C . 52767 1 1182 . 1 . 1 391 391 LEU CA C 13 57.92433333 0.01347425531 . . . . . . . 391 LEU CA . 52767 1 1183 . 1 . 1 391 391 LEU CB C 13 41.09366667 0.04713338048 . . . . . . . 391 LEU CB . 52767 1 1184 . 1 . 1 391 391 LEU N N 15 124.242 0.0000013486992 . . . . . . . 391 LEU N . 52767 1 1185 . 1 . 1 392 392 LEU H H 1 8.456 0.0000001685874 . . . . . . . 392 LEU H . 52767 1 1186 . 1 . 1 392 392 LEU C C 13 178.2475 0.009499999981 . . . . . . . 392 LEU C . 52767 1 1187 . 1 . 1 392 392 LEU CA C 13 57.40893738 0.02496869178 . . . . . . . 392 LEU CA . 52767 1 1188 . 1 . 1 392 392 LEU CB C 13 39.88433333 0.05039400316 . . . . . . . 392 LEU CB . 52767 1 1189 . 1 . 1 392 392 LEU N N 15 119.594 0.0000026973983 . . . . . . . 392 LEU N . 52767 1 1190 . 1 . 1 393 393 ALA H H 1 7.702285403 0.0003495455735 . . . . . . . 393 ALA H . 52767 1 1191 . 1 . 1 393 393 ALA C C 13 180.4986667 0.0004714123178 . . . . . . . 393 ALA C . 52767 1 1192 . 1 . 1 393 393 ALA CA C 13 54.02666667 0.02257333727 . . . . . . . 393 ALA CA . 52767 1 1193 . 1 . 1 393 393 ALA CB C 13 16.99666667 0.01146976702 . . . . . . . 393 ALA CB . 52767 1 1194 . 1 . 1 393 393 ALA N N 15 119.99024 0.01685248945 . . . . . . . 393 ALA N . 52767 1 1195 . 1 . 1 394 394 TRP H H 1 7.782555556 0.001571348407 . . . . . . . 394 TRP H . 52767 1 1196 . 1 . 1 394 394 TRP C C 13 179.7535 0.02049999997 . . . . . . . 394 TRP C . 52767 1 1197 . 1 . 1 394 394 TRP CA C 13 60.80066667 0.04047495797 . . . . . . . 394 TRP CA . 52767 1 1198 . 1 . 1 394 394 TRP CB C 13 25.83066667 0.02694851057 . . . . . . . 394 TRP CB . 52767 1 1199 . 1 . 1 394 394 TRP N N 15 120.414 0.0000013486992 . . . . . . . 394 TRP N . 52767 1 1200 . 1 . 1 395 395 LEU H H 1 8.648 0.0000002064765 . . . . . . . 395 LEU H . 52767 1 1201 . 1 . 1 395 395 LEU C C 13 176.642918 0.004371673857 . . . . . . . 395 LEU C . 52767 1 1202 . 1 . 1 395 395 LEU CA C 13 57.01577641 0.02606031744 . . . . . . . 395 LEU CA . 52767 1 1203 . 1 . 1 395 395 LEU CB C 13 40.19247225 0.04504320895 . . . . . . . 395 LEU CB . 52767 1 1204 . 1 . 1 395 395 LEU N N 15 125.883 0.0000013486992 . . . . . . . 395 LEU N . 52767 1 1205 . 1 . 1 396 396 GLU H H 1 7.219048174 0.002500258144 . . . . . . . 396 GLU H . 52767 1 1206 . 1 . 1 396 396 GLU C C 13 177.7023398 0.0311018309 . . . . . . . 396 GLU C . 52767 1 1207 . 1 . 1 396 396 GLU CA C 13 57.39966667 0.01866071334 . . . . . . . 396 GLU CA . 52767 1 1208 . 1 . 1 396 396 GLU CB C 13 28.798 0.02477902339 . . . . . . . 396 GLU CB . 52767 1 1209 . 1 . 1 396 396 GLU N N 15 110.9644282 0.04293295558 . . . . . . . 396 GLU N . 52767 1 1210 . 1 . 1 397 397 THR H H 1 7.417 0.000 . . . . . . . 397 THR H . 52767 1 1211 . 1 . 1 397 397 THR C C 13 175.182 0.01299999982 . . . . . . . 397 THR C . 52767 1 1212 . 1 . 1 397 397 THR CA C 13 61.5495 0.0385 . . . . . . . 397 THR CA . 52767 1 1213 . 1 . 1 397 397 THR CB C 13 69.88266667 0.04099051382 . . . . . . . 397 THR CB . 52767 1 1214 . 1 . 1 397 397 THR N N 15 108.929 0.0000019073486 . . . . . . . 397 THR N . 52767 1 1215 . 1 . 1 398 398 GLN H H 1 7.851 0.0000000842937 . . . . . . . 398 GLN H . 52767 1 1216 . 1 . 1 398 398 GLN C C 13 174.619 . . . . . . . . 398 GLN C . 52767 1 1217 . 1 . 1 398 398 GLN CA C 13 52.181 . . . . . . . . 398 GLN CA . 52767 1 1218 . 1 . 1 398 398 GLN CB C 13 26.241 . . . . . . . . 398 GLN CB . 52767 1 1219 . 1 . 1 398 398 GLN N N 15 123.422 0.0000013486992 . . . . . . . 398 GLN N . 52767 1 1220 . 1 . 1 401 401 ALA C C 13 175.4805 0.01149999965 . . . . . . . 401 ALA C . 52767 1 1221 . 1 . 1 401 401 ALA CA C 13 50.9475 0.0415 . . . . . . . 401 ALA CA . 52767 1 1222 . 1 . 1 401 401 ALA CB C 13 19.2695 0.0375 . . . . . . . 401 ALA CB . 52767 1 1223 . 1 . 1 402 402 LEU H H 1 7.584 0.0000000842937 . . . . . . . 402 LEU H . 52767 1 1224 . 1 . 1 402 402 LEU C C 13 176.344 0.0009999983503 . . . . . . . 402 LEU C . 52767 1 1225 . 1 . 1 402 402 LEU CA C 13 55.10266667 0.0148174072 . . . . . . . 402 LEU CA . 52767 1 1226 . 1 . 1 402 402 LEU CB C 13 44.441 0.03353605025 . . . . . . . 402 LEU CB . 52767 1 1227 . 1 . 1 402 402 LEU N N 15 120.277 0.0000013486992 . . . . . . . 402 LEU N . 52767 1 1228 . 1 . 1 403 403 VAL H H 1 9.369 0.0000001192093 . . . . . . . 403 VAL H . 52767 1 1229 . 1 . 1 403 403 VAL C C 13 173.2826667 0.0004714123178 . . . . . . . 403 VAL C . 52767 1 1230 . 1 . 1 403 403 VAL CA C 13 61.0130438 0.02735313212 . . . . . . . 403 VAL CA . 52767 1 1231 . 1 . 1 403 403 VAL CB C 13 34.684 0.03353605025 . . . . . . . 403 VAL CB . 52767 1 1232 . 1 . 1 403 403 VAL N N 15 129.028 0.0000019073486 . . . . . . . 403 VAL N . 52767 1 1233 . 1 . 1 404 404 GLN H H 1 8.789718011 0.0007975866049 . . . . . . . 404 GLN H . 52767 1 1234 . 1 . 1 404 404 GLN C C 13 173.8746667 0.006018489536 . . . . . . . 404 GLN C . 52767 1 1235 . 1 . 1 404 404 GLN CA C 13 52.825 0.020607442 . . . . . . . 404 GLN CA . 52767 1 1236 . 1 . 1 404 404 GLN CB C 13 29.642 0.04814561247 . . . . . . . 404 GLN CB . 52767 1 1237 . 1 . 1 404 404 GLN N N 15 123.1490236 0.0000667026842 . . . . . . . 404 GLN N . 52767 1 1238 . 1 . 1 405 405 THR H H 1 9.367 0.0000002064765 . . . . . . . 405 THR H . 52767 1 1239 . 1 . 1 405 405 THR C C 13 171.8655 0.005500000104 . . . . . . . 405 THR C . 52767 1 1240 . 1 . 1 405 405 THR CA C 13 61.249 0.02325224005 . . . . . . . 405 THR CA . 52767 1 1241 . 1 . 1 405 405 THR CB C 13 67.77633333 0.04490978611 . . . . . . . 405 THR CB . 52767 1 1242 . 1 . 1 405 405 THR N N 15 115.902 0.0000019073486 . . . . . . . 405 THR N . 52767 1 1243 . 1 . 1 406 406 ASP H H 1 8.915 0.000 . . . . . . . 406 ASP H . 52767 1 1244 . 1 . 1 406 406 ASP C C 13 173.433 0.03118760435 . . . . . . . 406 ASP C . 52767 1 1245 . 1 . 1 406 406 ASP CA C 13 53.08033333 0.02169997441 . . . . . . . 406 ASP CA . 52767 1 1246 . 1 . 1 406 406 ASP CB C 13 40.14333333 0.0523089115 . . . . . . . 406 ASP CB . 52767 1 1247 . 1 . 1 406 406 ASP N N 15 128.344 0.0000026973983 . . . . . . . 406 ASP N . 52767 1 1248 . 1 . 1 407 407 ALA H H 1 8.601 0.0000001192093 . . . . . . . 407 ALA H . 52767 1 1249 . 1 . 1 407 407 ALA C C 13 177.793 0.01986621939 . . . . . . . 407 ALA C . 52767 1 1250 . 1 . 1 407 407 ALA CA C 13 50.757 0.03073543015 . . . . . . . 407 ALA CA . 52767 1 1251 . 1 . 1 407 407 ALA CB C 13 16.83633333 0.05351842881 . . . . . . . 407 ALA CB . 52767 1 1252 . 1 . 1 407 407 ALA N N 15 124.653 0.0000013486992 . . . . . . . 407 ALA N . 52767 1 1253 . 1 . 1 408 408 LEU H H 1 9.86 0.0000001192093 . . . . . . . 408 LEU H . 52767 1 1254 . 1 . 1 408 408 LEU C C 13 178.303 0.009000000311 . . . . . . . 408 LEU C . 52767 1 1255 . 1 . 1 408 408 LEU CA C 13 58.181 0.02192411152 . . . . . . . 408 LEU CA . 52767 1 1256 . 1 . 1 408 408 LEU CB C 13 40.78733333 0.05086146762 . . . . . . . 408 LEU CB . 52767 1 1257 . 1 . 1 408 408 LEU N N 15 127.387 0.0000026973983 . . . . . . . 408 LEU N . 52767 1 1258 . 1 . 1 409 409 GLY H H 1 9.102 0.0000001685874 . . . . . . . 409 GLY H . 52767 1 1259 . 1 . 1 409 409 GLY C C 13 174.7955 0.01650000009 . . . . . . . 409 GLY C . 52767 1 1260 . 1 . 1 409 409 GLY CA C 13 45.06683333 0.03351326437 . . . . . . . 409 GLY CA . 52767 1 1261 . 1 . 1 409 409 GLY N N 15 104.281 0.0000023360155 . . . . . . . 409 GLY N . 52767 1 1262 . 1 . 1 410 410 GLN H H 1 7.864 0.0000000842937 . . . . . . . 410 GLN H . 52767 1 1263 . 1 . 1 410 410 GLN C C 13 176.9592905 0.01859021207 . . . . . . . 410 GLN C . 52767 1 1264 . 1 . 1 410 410 GLN CA C 13 56.47130724 0.07317227689 . . . . . . . 410 GLN CA . 52767 1 1265 . 1 . 1 410 410 GLN CB C 13 27.78033333 0.02329997616 . . . . . . . 410 GLN CB . 52767 1 1266 . 1 . 1 410 410 GLN N N 15 116.449 0.0000019073486 . . . . . . . 410 GLN N . 52767 1 1267 . 1 . 1 411 411 LEU H H 1 7.421665622 0.002483459121 . . . . . . . 411 LEU H . 52767 1 1268 . 1 . 1 411 411 LEU C C 13 176.4875 0.0194999998 . . . . . . . 411 LEU C . 52767 1 1269 . 1 . 1 411 411 LEU CA C 13 55.80554956 0.01167031568 . . . . . . . 411 LEU CA . 52767 1 1270 . 1 . 1 411 411 LEU CB C 13 43.26532317 0.002487670514 . . . . . . . 411 LEU CB . 52767 1 1271 . 1 . 1 411 411 LEU N N 15 119.867231 0.0002065756312 . . . . . . . 411 LEU N . 52767 1 1272 . 1 . 1 412 412 TRP H H 1 8.653445782 0.002762515965 . . . . . . . 412 TRP H . 52767 1 1273 . 1 . 1 412 412 TRP C C 13 173.3268472 . . . . . . . . 412 TRP C . 52767 1 1274 . 1 . 1 412 412 TRP CA C 13 54.197 . . . . . . . . 412 TRP CA . 52767 1 1275 . 1 . 1 412 412 TRP CB C 13 26.908 . . . . . . . . 412 TRP CB . 52767 1 1276 . 1 . 1 412 412 TRP N N 15 121.1839524 0.07853779191 . . . . . . . 412 TRP N . 52767 1 1277 . 1 . 1 413 413 PRO C C 13 179.147 0.01500000023 . . . . . . . 413 PRO C . 52767 1 1278 . 1 . 1 413 413 PRO CA C 13 65.12 0.03199999999 . . . . . . . 413 PRO CA . 52767 1 1279 . 1 . 1 413 413 PRO CB C 13 30.6995 0.0325 . . . . . . . 413 PRO CB . 52767 1 1280 . 1 . 1 414 414 ALA H H 1 6.81 0.0000000842937 . . . . . . . 414 ALA H . 52767 1 1281 . 1 . 1 414 414 ALA C C 13 177.589 0.008485281739 . . . . . . . 414 ALA C . 52767 1 1282 . 1 . 1 414 414 ALA CA C 13 52.56 0.03115552385 . . . . . . . 414 ALA CA . 52767 1 1283 . 1 . 1 414 414 ALA CB C 13 16.351 0.02779688232 . . . . . . . 414 ALA CB . 52767 1 1284 . 1 . 1 414 414 ALA N N 15 118.09 0.0000023360155 . . . . . . . 414 ALA N . 52767 1 1285 . 1 . 1 415 415 GLY H H 1 7.253 0.0000001192093 . . . . . . . 415 GLY H . 52767 1 1286 . 1 . 1 415 415 GLY C C 13 175.841 0.01208304606 . . . . . . . 415 GLY C . 52767 1 1287 . 1 . 1 415 415 GLY CA C 13 44.85983333 0.03801059795 . . . . . . . 415 GLY CA . 52767 1 1288 . 1 . 1 415 415 GLY N N 15 105.921 0.0000019073486 . . . . . . . 415 GLY N . 52767 1 1289 . 1 . 1 416 416 ALA H H 1 7.6 0.000 . . . . . . . 416 ALA H . 52767 1 1290 . 1 . 1 416 416 ALA C C 13 179.192 0.004999999755 . . . . . . . 416 ALA C . 52767 1 1291 . 1 . 1 416 416 ALA CA C 13 55.009 0.021 . . . . . . . 416 ALA CA . 52767 1 1292 . 1 . 1 416 416 ALA CB C 13 17.415 0.04000833247 . . . . . . . 416 ALA CB . 52767 1 1293 . 1 . 1 416 416 ALA N N 15 124.926 0.000 . . . . . . . 416 ALA N . 52767 1 1294 . 1 . 1 417 417 ASP H H 1 7.844 0.000 . . . . . . . 417 ASP H . 52767 1 1295 . 1 . 1 417 417 ASP C C 13 176.5173333 0.01901461423 . . . . . . . 417 ASP C . 52767 1 1296 . 1 . 1 417 417 ASP CA C 13 54.938 0.02006655592 . . . . . . . 417 ASP CA . 52767 1 1297 . 1 . 1 417 417 ASP CB C 13 39.89933333 0.03320977098 . . . . . . . 417 ASP CB . 52767 1 1298 . 1 . 1 417 417 ASP N N 15 114.672 0.0000023360155 . . . . . . . 417 ASP N . 52767 1 1299 . 1 . 1 418 418 LEU H H 1 7.591 0.000 . . . . . . . 418 LEU H . 52767 1 1300 . 1 . 1 418 418 LEU C C 13 176.3134534 0.01172669025 . . . . . . . 418 LEU C . 52767 1 1301 . 1 . 1 418 418 LEU CA C 13 53.75328482 0.03128482051 . . . . . . . 418 LEU CA . 52767 1 1302 . 1 . 1 418 418 LEU CB C 13 40.68354722 0.06995574862 . . . . . . . 418 LEU CB . 52767 1 1303 . 1 . 1 418 418 LEU N N 15 116.996 0.0000013486992 . . . . . . . 418 LEU N . 52767 1 1304 . 1 . 1 419 419 ALA H H 1 7.349967903 0.00127817446 . . . . . . . 419 ALA H . 52767 1 1305 . 1 . 1 419 419 ALA C C 13 173.8238392 0.000 . . . . . . . 419 ALA C . 52767 1 1306 . 1 . 1 419 419 ALA CA C 13 54.28481547 . . . . . . . . 419 ALA CA . 52767 1 1307 . 1 . 1 419 419 ALA CB C 13 16.94234532 . . . . . . . . 419 ALA CB . 52767 1 1308 . 1 . 1 419 419 ALA N N 15 123.0122145 0.0002349834937 . . . . . . . 419 ALA N . 52767 1 1309 . 1 . 1 420 420 PRO C C 13 177.437 . . . . . . . . 420 PRO C . 52767 1 1310 . 1 . 1 420 420 PRO CA C 13 66.1045 0.07149999999 . . . . . . . 420 PRO CA . 52767 1 1311 . 1 . 1 420 420 PRO CB C 13 30.42 0.088 . . . . . . . 420 PRO CB . 52767 1 1312 . 1 . 1 421 421 SER H H 1 7.719 0.000 . . . . . . . 421 SER H . 52767 1 1313 . 1 . 1 421 421 SER C C 13 173.9515 0.01349999979 . . . . . . . 421 SER C . 52767 1 1314 . 1 . 1 421 421 SER CA C 13 58.08541685 0.02592633286 . . . . . . . 421 SER CA . 52767 1 1315 . 1 . 1 421 421 SER CB C 13 64.645 0.021 . . . . . . . 421 SER CB . 52767 1 1316 . 1 . 1 421 421 SER N N 15 107.015 0.000 . . . . . . . 421 SER N . 52767 1 1317 . 1 . 1 422 422 ALA H H 1 8.263952915 0.002471330228 . . . . . . . 422 ALA H . 52767 1 1318 . 1 . 1 422 422 ALA C C 13 174.3065 0.01349999993 . . . . . . . 422 ALA C . 52767 1 1319 . 1 . 1 422 422 ALA CA C 13 50.554 0.009000000008 . . . . . . . 422 ALA CA . 52767 1 1320 . 1 . 1 422 422 ALA CB C 13 18.469 0.150 . . . . . . . 422 ALA CB . 52767 1 1321 . 1 . 1 422 422 ALA N N 15 126.43 0.0000019073486 . . . . . . . 422 ALA N . 52767 1 1322 . 1 . 1 423 423 ALA H H 1 7.925833333 0.006335525935 . . . . . . . 423 ALA H . 52767 1 1323 . 1 . 1 423 423 ALA C C 13 175.988 0.02699999999 . . . . . . . 423 ALA C . 52767 1 1324 . 1 . 1 423 423 ALA CA C 13 53.708 0.03000000001 . . . . . . . 423 ALA CA . 52767 1 1325 . 1 . 1 423 423 ALA CB C 13 18.6415 0.0445 . . . . . . . 423 ALA CB . 52767 1 1326 . 1 . 1 423 423 ALA N N 15 123.4448333 0.05105688547 . . . . . . . 423 ALA N . 52767 1 1327 . 1 . 1 424 424 GLY H H 1 8.506 0.000 . . . . . . . 424 GLY H . 52767 1 1328 . 1 . 1 424 424 GLY C C 13 173.143 0.01779513026 . . . . . . . 424 GLY C . 52767 1 1329 . 1 . 1 424 424 GLY CA C 13 43.3505 0.03069609095 . . . . . . . 424 GLY CA . 52767 1 1330 . 1 . 1 424 424 GLY N N 15 103.05 0.000 . . . . . . . 424 GLY N . 52767 1 1331 . 1 . 1 425 425 LEU H H 1 9.137640711 0.001016223507 . . . . . . . 425 LEU H . 52767 1 1332 . 1 . 1 425 425 LEU C C 13 173.5115608 0.02891829924 . . . . . . . 425 LEU C . 52767 1 1333 . 1 . 1 425 425 LEU CA C 13 54.77253065 0.01253065274 . . . . . . . 425 LEU CA . 52767 1 1334 . 1 . 1 425 425 LEU CB C 13 45.82033333 0.03300841644 . . . . . . . 425 LEU CB . 52767 1 1335 . 1 . 1 425 425 LEU N N 15 123.69602 0.0000565489467 . . . . . . . 425 LEU N . 52767 1 1336 . 1 . 1 426 426 LEU H H 1 9.204110106 0.002440096366 . . . . . . . 426 LEU H . 52767 1 1337 . 1 . 1 426 426 LEU C C 13 173.8417098 0.01370980014 . . . . . . . 426 LEU C . 52767 1 1338 . 1 . 1 426 426 LEU CA C 13 54.53566667 0.02777688888 . . . . . . . 426 LEU CA . 52767 1 1339 . 1 . 1 426 426 LEU CB C 13 41.75033333 0.0346826886 . . . . . . . 426 LEU CB . 52767 1 1340 . 1 . 1 426 426 LEU N N 15 131.3184546 0.05859757895 . . . . . . . 426 LEU N . 52767 1 1341 . 1 . 1 427 427 ALA H H 1 9.858 0.0000002064765 . . . . . . . 427 ALA H . 52767 1 1342 . 1 . 1 427 427 ALA C C 13 176.2566667 0.0236690139 . . . . . . . 427 ALA C . 52767 1 1343 . 1 . 1 427 427 ALA CA C 13 49.493 0.03023243291 . . . . . . . 427 ALA CA . 52767 1 1344 . 1 . 1 427 427 ALA CB C 13 25.09666667 0.0229540604 . . . . . . . 427 ALA CB . 52767 1 1345 . 1 . 1 427 427 ALA N N 15 129.438 0.000 . . . . . . . 427 ALA N . 52767 1 1346 . 1 . 1 428 428 ILE H H 1 9.035 0.0000001192093 . . . . . . . 428 ILE H . 52767 1 1347 . 1 . 1 428 428 ILE C C 13 174.254 0.01070825238 . . . . . . . 428 ILE C . 52767 1 1348 . 1 . 1 428 428 ILE CA C 13 58.162 0.02913188401 . . . . . . . 428 ILE CA . 52767 1 1349 . 1 . 1 428 428 ILE CB C 13 41.515 0.04140853374 . . . . . . . 428 ILE CB . 52767 1 1350 . 1 . 1 428 428 ILE N N 15 112.211 0.000 . . . . . . . 428 ILE N . 52767 1 1351 . 1 . 1 429 429 SER H H 1 7.79689195 0.0003056119223 . . . . . . . 429 SER H . 52767 1 1352 . 1 . 1 429 429 SER C C 13 175.1001506 . . . . . . . . 429 SER C . 52767 1 1353 . 1 . 1 429 429 SER CA C 13 55.807 . . . . . . . . 429 SER CA . 52767 1 1354 . 1 . 1 429 429 SER CB C 13 62.107 . . . . . . . . 429 SER CB . 52767 1 1355 . 1 . 1 429 429 SER N N 15 118.227 0.0000023360155 . . . . . . . 429 SER N . 52767 1 1356 . 1 . 1 434 434 TRP C C 13 175.4412751 . . . . . . . . 434 TRP C . 52767 1 1357 . 1 . 1 434 434 TRP CA C 13 58.41059202 0.002081444937 . . . . . . . 434 TRP CA . 52767 1 1358 . 1 . 1 434 434 TRP CB C 13 26.27261311 0.000 . . . . . . . 434 TRP CB . 52767 1 1359 . 1 . 1 435 435 SER H H 1 7.91016309 0.0007609479727 . . . . . . . 435 SER H . 52767 1 1360 . 1 . 1 435 435 SER C C 13 174.7988719 0.04087184999 . . . . . . . 435 SER C . 52767 1 1361 . 1 . 1 435 435 SER CA C 13 61.65414623 0.02339533228 . . . . . . . 435 SER CA . 52767 1 1362 . 1 . 1 435 435 SER CB C 13 62.26755998 0.01486157625 . . . . . . . 435 SER CB . 52767 1 1363 . 1 . 1 435 435 SER N N 15 116.659385 0.05425152833 . . . . . . . 435 SER N . 52767 1 1364 . 1 . 1 436 436 GLU H H 1 7.746037026 0.0000906944557 . . . . . . . 436 GLU H . 52767 1 1365 . 1 . 1 436 436 GLU C C 13 175.84 0.01099999988 . . . . . . . 436 GLU C . 52767 1 1366 . 1 . 1 436 436 GLU CA C 13 54.08766667 0.03362869145 . . . . . . . 436 GLU CA . 52767 1 1367 . 1 . 1 436 436 GLU CB C 13 30.0695 0.0365 . . . . . . . 436 GLU CB . 52767 1 1368 . 1 . 1 436 436 GLU N N 15 119.457 0.0000019073486 . . . . . . . 436 GLU N . 52767 1 1369 . 1 . 1 437 437 CYS H H 1 8.989 0.0000001685874 . . . . . . . 437 CYS H . 52767 1 1370 . 1 . 1 437 437 CYS C C 13 170.4036667 0.01592342772 . . . . . . . 437 CYS C . 52767 1 1371 . 1 . 1 437 437 CYS CA C 13 55.86433333 0.02217105221 . . . . . . . 437 CYS CA . 52767 1 1372 . 1 . 1 437 437 CYS CB C 13 30.09521554 0.01126580011 . . . . . . . 437 CYS CB . 52767 1 1373 . 1 . 1 437 437 CYS N N 15 116.859 0.0000019073486 . . . . . . . 437 CYS N . 52767 1 1374 . 1 . 1 438 438 LEU H H 1 8.107002692 0.0000290533363 . . . . . . . 438 LEU H . 52767 1 1375 . 1 . 1 438 438 LEU C C 13 175.422 0.00799999999 . . . . . . . 438 LEU C . 52767 1 1376 . 1 . 1 438 438 LEU CA C 13 54.38766667 0.02392116681 . . . . . . . 438 LEU CA . 52767 1 1377 . 1 . 1 438 438 LEU CB C 13 44.24866667 0.03718721406 . . . . . . . 438 LEU CB . 52767 1 1378 . 1 . 1 438 438 LEU N N 15 118.09 0.0000023360155 . . . . . . . 438 LEU N . 52767 1 1379 . 1 . 1 439 439 VAL H H 1 8.629 0.000 . . . . . . . 439 VAL H . 52767 1 1380 . 1 . 1 439 439 VAL C C 13 174.8115 0.0004999946276 . . . . . . . 439 VAL C . 52767 1 1381 . 1 . 1 439 439 VAL CA C 13 60.338 0.01714642818 . . . . . . . 439 VAL CA . 52767 1 1382 . 1 . 1 439 439 VAL CB C 13 33.68033333 0.02782484901 . . . . . . . 439 VAL CB . 52767 1 1383 . 1 . 1 439 439 VAL N N 15 119.731 0.000 . . . . . . . 439 VAL N . 52767 1 1384 . 1 . 1 440 440 TRP H H 1 10.282 0.0000001685874 . . . . . . . 440 TRP H . 52767 1 1385 . 1 . 1 440 440 TRP C C 13 175.5276667 0.007318166626 . . . . . . . 440 TRP C . 52767 1 1386 . 1 . 1 440 440 TRP CA C 13 59.719 0.02765260686 . . . . . . . 440 TRP CA . 52767 1 1387 . 1 . 1 440 440 TRP CB C 13 31.0165023 0.02186386702 . . . . . . . 440 TRP CB . 52767 1 1388 . 1 . 1 440 440 TRP N N 15 128.481 0.000 . . . . . . . 440 TRP N . 52767 1 1389 . 1 . 1 441 441 LEU H H 1 9.12772757 0.0007705495847 . . . . . . . 441 LEU H . 52767 1 1390 . 1 . 1 441 441 LEU C C 13 177.8475 0.02749999999 . . . . . . . 441 LEU C . 52767 1 1391 . 1 . 1 441 441 LEU CA C 13 52.8735 0.0435 . . . . . . . 441 LEU CA . 52767 1 1392 . 1 . 1 441 441 LEU CB C 13 44.82733333 0.02577250904 . . . . . . . 441 LEU CB . 52767 1 1393 . 1 . 1 441 441 LEU N N 15 120.004 0.0000013486992 . . . . . . . 441 LEU N . 52767 1 1394 . 1 . 1 442 442 ARG H H 1 9.176 0.000 . . . . . . . 442 ARG H . 52767 1 1395 . 1 . 1 442 442 ARG C C 13 173.277 . . . . . . . . 442 ARG C . 52767 1 1396 . 1 . 1 442 442 ARG CA C 13 53.023 . . . . . . . . 442 ARG CA . 52767 1 1397 . 1 . 1 442 442 ARG CB C 13 34.305 . . . . . . . . 442 ARG CB . 52767 1 1398 . 1 . 1 442 442 ARG N N 15 121.098 0.0000026973983 . . . . . . . 442 ARG N . 52767 1 1399 . 1 . 1 494 494 LEU C C 13 178.641017 0.000 . . . . . . . 494 LEU C . 52767 1 1400 . 1 . 1 494 494 LEU CA C 13 57.674 . . . . . . . . 494 LEU CA . 52767 1 1401 . 1 . 1 494 494 LEU CB C 13 40.433 . . . . . . . . 494 LEU CB . 52767 1 1402 . 1 . 1 495 495 ARG H H 1 8.704136699 0.0002161400523 . . . . . . . 495 ARG H . 52767 1 1403 . 1 . 1 495 495 ARG C C 13 179.344 0.006999999886 . . . . . . . 495 ARG C . 52767 1 1404 . 1 . 1 495 495 ARG CA C 13 60.486 0.004546060585 . . . . . . . 495 ARG CA . 52767 1 1405 . 1 . 1 495 495 ARG CB C 13 28.09333333 0.05251243239 . . . . . . . 495 ARG CB . 52767 1 1406 . 1 . 1 495 495 ARG N N 15 120.8135762 0.01648140577 . . . . . . . 495 ARG N . 52767 1 1407 . 1 . 1 496 496 ASP H H 1 8.139 0.0000001685874 . . . . . . . 496 ASP H . 52767 1 1408 . 1 . 1 496 496 ASP C C 13 179.253 0.02362202354 . . . . . . . 496 ASP C . 52767 1 1409 . 1 . 1 496 496 ASP CA C 13 57.64033333 0.03488393454 . . . . . . . 496 ASP CA . 52767 1 1410 . 1 . 1 496 496 ASP CB C 13 39.642 0.03989987469 . . . . . . . 496 ASP CB . 52767 1 1411 . 1 . 1 496 496 ASP N N 15 122.328 0.0000023360155 . . . . . . . 496 ASP N . 52767 1 1412 . 1 . 1 497 497 THR H H 1 8.706 0.0000001192093 . . . . . . . 497 THR H . 52767 1 1413 . 1 . 1 497 497 THR C C 13 177.096 0.01299999996 . . . . . . . 497 THR C . 52767 1 1414 . 1 . 1 497 497 THR CA C 13 66.353 0.01909624747 . . . . . . . 497 THR CA . 52767 1 1415 . 1 . 1 497 497 THR CB C 13 68.37566667 0.04529410066 . . . . . . . 497 THR CB . 52767 1 1416 . 1 . 1 497 497 THR N N 15 119.594 0.0000026973983 . . . . . . . 497 THR N . 52767 1 1417 . 1 . 1 498 498 LEU H H 1 9.062 0.000 . . . . . . . 498 LEU H . 52767 1 1418 . 1 . 1 498 498 LEU C C 13 178.3095 0.002499998604 . . . . . . . 498 LEU C . 52767 1 1419 . 1 . 1 498 498 LEU CA C 13 57.408 0.006999999983 . . . . . . . 498 LEU CA . 52767 1 1420 . 1 . 1 498 498 LEU CB C 13 40.979 0.0740585354 . . . . . . . 498 LEU CB . 52767 1 1421 . 1 . 1 498 498 LEU N N 15 120.688 0.0000019073486 . . . . . . . 498 LEU N . 52767 1 1422 . 1 . 1 499 499 THR H H 1 8.514 0.0000002064765 . . . . . . . 499 THR H . 52767 1 1423 . 1 . 1 499 499 THR C C 13 176.871 0.01900000006 . . . . . . . 499 THR C . 52767 1 1424 . 1 . 1 499 499 THR CA C 13 66.571 0.035 . . . . . . . 499 THR CA . 52767 1 1425 . 1 . 1 499 499 THR CB C 13 68.44209024 0.03514182858 . . . . . . . 499 THR CB . 52767 1 1426 . 1 . 1 499 499 THR N N 15 115.082 0.0000013486992 . . . . . . . 499 THR N . 52767 1 1427 . 1 . 1 500 500 GLY H H 1 7.8432541 0.0006224143446 . . . . . . . 500 GLY H . 52767 1 1428 . 1 . 1 500 500 GLY C C 13 175.5096667 0.009741092579 . . . . . . . 500 GLY C . 52767 1 1429 . 1 . 1 500 500 GLY CA C 13 46.3235 0.03681824728 . . . . . . . 500 GLY CA . 52767 1 1430 . 1 . 1 500 500 GLY N N 15 107.1517785 0.000542589564 . . . . . . . 500 GLY N . 52767 1 1431 . 1 . 1 501 501 ALA H H 1 7.97 0.0000001192093 . . . . . . . 501 ALA H . 52767 1 1432 . 1 . 1 501 501 ALA C C 13 179.026 . . . . . . . . 501 ALA C . 52767 1 1433 . 1 . 1 501 501 ALA CA C 13 53.634 . . . . . . . . 501 ALA CA . 52767 1 1434 . 1 . 1 501 501 ALA CB C 13 18.458 . . . . . . . . 501 ALA CB . 52767 1 1435 . 1 . 1 501 501 ALA N N 15 123.012 0.0000026973983 . . . . . . . 501 ALA N . 52767 1 stop_ save_