data_52766 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52766 _Entry.Title ; An extended backbone assignment of the monomeric DrBphP CBDPHY construct in the Pfr 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 (1H, 13C and 15N) of the monomeric DrBphP CBDPHY construct in the Pfr 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. . . 52766 2 Maria Levkovets . . . . 52766 3 Vladislav Orekhov . . . . 52766 4 Sebastian Westenhoff . . . . 52766 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' . 52766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 887 52766 '15N chemical shifts' 281 52766 '1H chemical shifts' 281 52766 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 . 52766 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' 52766 BMRB 27784 'the Pfr state of monomeric PAS-GAF-PHY' 52766 BMRB 52767 'the monomeric DrBphP CBDPHY construct in the Pr state' 52766 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52766 _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. . . 52766 1 2 Maria Levkovets . . . . 52766 1 3 Vladislav Orekhov . . . . 52766 1 4 Sebastian Westenhoff . . . . 52766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52766 _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 . . . 52766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52766 _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 . 52766 1 2 . SER . 52766 1 3 . ARG . 52766 1 4 . ASP . 52766 1 5 . PRO . 52766 1 6 . LEU . 52766 1 7 . PRO . 52766 1 8 . PHE . 52766 1 9 . PHE . 52766 1 10 . PRO . 52766 1 11 . PRO . 52766 1 12 . LEU . 52766 1 13 . TYR . 52766 1 14 . LEU . 52766 1 15 . GLY . 52766 1 16 . GLY . 52766 1 17 . PRO . 52766 1 18 . GLU . 52766 1 19 . ILE . 52766 1 20 . THR . 52766 1 21 . THR . 52766 1 22 . GLU . 52766 1 23 . ASN . 52766 1 24 . CYS . 52766 1 25 . GLU . 52766 1 26 . ARG . 52766 1 27 . GLU . 52766 1 28 . PRO . 52766 1 29 . ILE . 52766 1 30 . HIS . 52766 1 31 . ILE . 52766 1 32 . PRO . 52766 1 33 . GLY . 52766 1 34 . SER . 52766 1 35 . ILE . 52766 1 36 . GLN . 52766 1 37 . PRO . 52766 1 38 . HIS . 52766 1 39 . GLY . 52766 1 40 . ALA . 52766 1 41 . LEU . 52766 1 42 . LEU . 52766 1 43 . THR . 52766 1 44 . ALA . 52766 1 45 . ASP . 52766 1 46 . GLY . 52766 1 47 . HIS . 52766 1 48 . SER . 52766 1 49 . GLY . 52766 1 50 . GLU . 52766 1 51 . VAL . 52766 1 52 . LEU . 52766 1 53 . GLN . 52766 1 54 . MET . 52766 1 55 . SER . 52766 1 56 . LEU . 52766 1 57 . ASN . 52766 1 58 . ALA . 52766 1 59 . ALA . 52766 1 60 . THR . 52766 1 61 . PHE . 52766 1 62 . LEU . 52766 1 63 . GLY . 52766 1 64 . GLN . 52766 1 65 . GLU . 52766 1 66 . PRO . 52766 1 67 . THR . 52766 1 68 . VAL . 52766 1 69 . LEU . 52766 1 70 . ARG . 52766 1 71 . GLY . 52766 1 72 . GLN . 52766 1 73 . THR . 52766 1 74 . LEU . 52766 1 75 . ALA . 52766 1 76 . ALA . 52766 1 77 . LEU . 52766 1 78 . LEU . 52766 1 79 . PRO . 52766 1 80 . GLU . 52766 1 81 . GLN . 52766 1 82 . TRP . 52766 1 83 . PRO . 52766 1 84 . ALA . 52766 1 85 . LEU . 52766 1 86 . GLN . 52766 1 87 . ALA . 52766 1 88 . ALA . 52766 1 89 . LEU . 52766 1 90 . PRO . 52766 1 91 . PRO . 52766 1 92 . GLY . 52766 1 93 . CYS . 52766 1 94 . PRO . 52766 1 95 . ASP . 52766 1 96 . ALA . 52766 1 97 . LEU . 52766 1 98 . GLN . 52766 1 99 . TYR . 52766 1 100 . ARG . 52766 1 101 . ALA . 52766 1 102 . THR . 52766 1 103 . LEU . 52766 1 104 . ASP . 52766 1 105 . TRP . 52766 1 106 . PRO . 52766 1 107 . ALA . 52766 1 108 . ALA . 52766 1 109 . GLY . 52766 1 110 . HIS . 52766 1 111 . LEU . 52766 1 112 . SER . 52766 1 113 . LEU . 52766 1 114 . THR . 52766 1 115 . VAL . 52766 1 116 . HIS . 52766 1 117 . ARG . 52766 1 118 . VAL . 52766 1 119 . GLY . 52766 1 120 . GLU . 52766 1 121 . LEU . 52766 1 122 . LEU . 52766 1 123 . ILE . 52766 1 124 . LEU . 52766 1 125 . GLU . 52766 1 126 . PHE . 52766 1 127 . GLU . 52766 1 128 . PRO . 52766 1 129 . THR . 52766 1 130 . GLU . 52766 1 131 . ALA . 52766 1 132 . TRP . 52766 1 133 . ASP . 52766 1 134 . SER . 52766 1 135 . THR . 52766 1 136 . GLY . 52766 1 137 . PRO . 52766 1 138 . HIS . 52766 1 139 . ALA . 52766 1 140 . LEU . 52766 1 141 . ARG . 52766 1 142 . ASN . 52766 1 143 . ALA . 52766 1 144 . MET . 52766 1 145 . SER . 52766 1 146 . ALA . 52766 1 147 . LEU . 52766 1 148 . GLU . 52766 1 149 . SER . 52766 1 150 . ALA . 52766 1 151 . PRO . 52766 1 152 . ASN . 52766 1 153 . LEU . 52766 1 154 . ARG . 52766 1 155 . ALA . 52766 1 156 . LEU . 52766 1 157 . ALA . 52766 1 158 . GLU . 52766 1 159 . VAL . 52766 1 160 . ALA . 52766 1 161 . THR . 52766 1 162 . GLN . 52766 1 163 . THR . 52766 1 164 . VAL . 52766 1 165 . ARG . 52766 1 166 . GLU . 52766 1 167 . LEU . 52766 1 168 . THR . 52766 1 169 . GLY . 52766 1 170 . PHE . 52766 1 171 . ASP . 52766 1 172 . ARG . 52766 1 173 . VAL . 52766 1 174 . MET . 52766 1 175 . LEU . 52766 1 176 . TYR . 52766 1 177 . LYS . 52766 1 178 . PHE . 52766 1 179 . ALA . 52766 1 180 . PRO . 52766 1 181 . ASP . 52766 1 182 . ALA . 52766 1 183 . THR . 52766 1 184 . GLY . 52766 1 185 . GLU . 52766 1 186 . VAL . 52766 1 187 . ILE . 52766 1 188 . ALA . 52766 1 189 . GLU . 52766 1 190 . ALA . 52766 1 191 . ARG . 52766 1 192 . ARG . 52766 1 193 . GLU . 52766 1 194 . GLY . 52766 1 195 . LEU . 52766 1 196 . HIS . 52766 1 197 . ALA . 52766 1 198 . PHE . 52766 1 199 . LEU . 52766 1 200 . GLY . 52766 1 201 . HIS . 52766 1 202 . ARG . 52766 1 203 . PHE . 52766 1 204 . PRO . 52766 1 205 . ALA . 52766 1 206 . SER . 52766 1 207 . ASP . 52766 1 208 . ILE . 52766 1 209 . PRO . 52766 1 210 . ALA . 52766 1 211 . GLN . 52766 1 212 . ALA . 52766 1 213 . ARG . 52766 1 214 . ALA . 52766 1 215 . LEU . 52766 1 216 . TYR . 52766 1 217 . THR . 52766 1 218 . ARG . 52766 1 219 . HIS . 52766 1 220 . LEU . 52766 1 221 . LEU . 52766 1 222 . ARG . 52766 1 223 . LEU . 52766 1 224 . THR . 52766 1 225 . ALA . 52766 1 226 . ASP . 52766 1 227 . THR . 52766 1 228 . ARG . 52766 1 229 . ALA . 52766 1 230 . ALA . 52766 1 231 . ALA . 52766 1 232 . VAL . 52766 1 233 . PRO . 52766 1 234 . LEU . 52766 1 235 . ASP . 52766 1 236 . PRO . 52766 1 237 . VAL . 52766 1 238 . LEU . 52766 1 239 . ASN . 52766 1 240 . PRO . 52766 1 241 . GLN . 52766 1 242 . THR . 52766 1 243 . ASN . 52766 1 244 . ALA . 52766 1 245 . PRO . 52766 1 246 . THR . 52766 1 247 . PRO . 52766 1 248 . LEU . 52766 1 249 . GLY . 52766 1 250 . GLY . 52766 1 251 . ALA . 52766 1 252 . VAL . 52766 1 253 . LEU . 52766 1 254 . ARG . 52766 1 255 . ALA . 52766 1 256 . THR . 52766 1 257 . SER . 52766 1 258 . PRO . 52766 1 259 . MET . 52766 1 260 . HIS . 52766 1 261 . MET . 52766 1 262 . GLN . 52766 1 263 . TYR . 52766 1 264 . LEU . 52766 1 265 . ARG . 52766 1 266 . ASN . 52766 1 267 . MET . 52766 1 268 . GLY . 52766 1 269 . VAL . 52766 1 270 . GLY . 52766 1 271 . SER . 52766 1 272 . SER . 52766 1 273 . LEU . 52766 1 274 . SER . 52766 1 275 . VAL . 52766 1 276 . SER . 52766 1 277 . VAL . 52766 1 278 . VAL . 52766 1 279 . VAL . 52766 1 280 . GLY . 52766 1 281 . GLY . 52766 1 282 . GLN . 52766 1 283 . LEU . 52766 1 284 . TRP . 52766 1 285 . GLY . 52766 1 286 . LEU . 52766 1 287 . ILE . 52766 1 288 . ALA . 52766 1 289 . CYS . 52766 1 290 . HIS . 52766 1 291 . HIS . 52766 1 292 . GLN . 52766 1 293 . THR . 52766 1 294 . PRO . 52766 1 295 . TYR . 52766 1 296 . VAL . 52766 1 297 . LEU . 52766 1 298 . PRO . 52766 1 299 . PRO . 52766 1 300 . ASP . 52766 1 301 . LEU . 52766 1 302 . ARG . 52766 1 303 . THR . 52766 1 304 . THR . 52766 1 305 . LEU . 52766 1 306 . GLU . 52766 1 307 . TYR . 52766 1 308 . LEU . 52766 1 309 . GLY . 52766 1 310 . ARG . 52766 1 311 . GLU . 52766 1 312 . LEU . 52766 1 313 . SER . 52766 1 314 . GLU . 52766 1 315 . GLN . 52766 1 316 . VAL . 52766 1 317 . GLN . 52766 1 318 . VAL . 52766 1 319 . LYS . 52766 1 320 . GLU . 52766 1 321 . ALA . 52766 1 322 . ALA . 52766 1 323 . ASP . 52766 1 324 . VAL . 52766 1 325 . ALA . 52766 1 326 . ALA . 52766 1 327 . PHE . 52766 1 328 . ARG . 52766 1 329 . GLN . 52766 1 330 . SER . 52766 1 331 . LEU . 52766 1 332 . ARG . 52766 1 333 . GLU . 52766 1 334 . HIS . 52766 1 335 . HIS . 52766 1 336 . ALA . 52766 1 337 . ARG . 52766 1 338 . VAL . 52766 1 339 . ALA . 52766 1 340 . LEU . 52766 1 341 . ALA . 52766 1 342 . ALA . 52766 1 343 . ALA . 52766 1 344 . HIS . 52766 1 345 . SER . 52766 1 346 . LEU . 52766 1 347 . SER . 52766 1 348 . PRO . 52766 1 349 . HIS . 52766 1 350 . ASP . 52766 1 351 . THR . 52766 1 352 . LEU . 52766 1 353 . SER . 52766 1 354 . ASP . 52766 1 355 . PRO . 52766 1 356 . ALA . 52766 1 357 . LEU . 52766 1 358 . ASP . 52766 1 359 . LEU . 52766 1 360 . LEU . 52766 1 361 . GLY . 52766 1 362 . LEU . 52766 1 363 . MET . 52766 1 364 . ARG . 52766 1 365 . ALA . 52766 1 366 . GLY . 52766 1 367 . GLY . 52766 1 368 . LEU . 52766 1 369 . ILE . 52766 1 370 . LEU . 52766 1 371 . ARG . 52766 1 372 . PHE . 52766 1 373 . GLU . 52766 1 374 . GLY . 52766 1 375 . ARG . 52766 1 376 . TRP . 52766 1 377 . GLN . 52766 1 378 . THR . 52766 1 379 . LEU . 52766 1 380 . GLY . 52766 1 381 . GLU . 52766 1 382 . VAL . 52766 1 383 . PRO . 52766 1 384 . PRO . 52766 1 385 . ALA . 52766 1 386 . PRO . 52766 1 387 . ALA . 52766 1 388 . VAL . 52766 1 389 . ASP . 52766 1 390 . ALA . 52766 1 391 . LEU . 52766 1 392 . LEU . 52766 1 393 . ALA . 52766 1 394 . TRP . 52766 1 395 . LEU . 52766 1 396 . GLU . 52766 1 397 . THR . 52766 1 398 . GLN . 52766 1 399 . PRO . 52766 1 400 . GLY . 52766 1 401 . ALA . 52766 1 402 . LEU . 52766 1 403 . VAL . 52766 1 404 . GLN . 52766 1 405 . THR . 52766 1 406 . ASP . 52766 1 407 . ALA . 52766 1 408 . LEU . 52766 1 409 . GLY . 52766 1 410 . GLN . 52766 1 411 . LEU . 52766 1 412 . TRP . 52766 1 413 . PRO . 52766 1 414 . ALA . 52766 1 415 . GLY . 52766 1 416 . ALA . 52766 1 417 . ASP . 52766 1 418 . LEU . 52766 1 419 . ALA . 52766 1 420 . PRO . 52766 1 421 . SER . 52766 1 422 . ALA . 52766 1 423 . ALA . 52766 1 424 . GLY . 52766 1 425 . LEU . 52766 1 426 . LEU . 52766 1 427 . ALA . 52766 1 428 . ILE . 52766 1 429 . SER . 52766 1 430 . VAL . 52766 1 431 . GLY . 52766 1 432 . GLU . 52766 1 433 . GLY . 52766 1 434 . TRP . 52766 1 435 . SER . 52766 1 436 . GLU . 52766 1 437 . CYS . 52766 1 438 . LEU . 52766 1 439 . VAL . 52766 1 440 . TRP . 52766 1 441 . LEU . 52766 1 442 . ARG . 52766 1 443 . PRO . 52766 1 444 . GLU . 52766 1 445 . LEU . 52766 1 446 . ARG . 52766 1 447 . LEU . 52766 1 448 . GLU . 52766 1 449 . VAL . 52766 1 450 . ALA . 52766 1 451 . TRP . 52766 1 452 . GLY . 52766 1 453 . GLY . 52766 1 454 . ALA . 52766 1 455 . THR . 52766 1 456 . PRO . 52766 1 457 . ASP . 52766 1 458 . GLN . 52766 1 459 . ALA . 52766 1 460 . LYS . 52766 1 461 . ASP . 52766 1 462 . ASP . 52766 1 463 . LEU . 52766 1 464 . GLY . 52766 1 465 . PRO . 52766 1 466 . ARG . 52766 1 467 . HIS . 52766 1 468 . SER . 52766 1 469 . PHE . 52766 1 470 . ASP . 52766 1 471 . THR . 52766 1 472 . TYR . 52766 1 473 . LEU . 52766 1 474 . GLU . 52766 1 475 . GLU . 52766 1 476 . LYS . 52766 1 477 . ARG . 52766 1 478 . GLY . 52766 1 479 . TYR . 52766 1 480 . ALA . 52766 1 481 . GLU . 52766 1 482 . PRO . 52766 1 483 . TRP . 52766 1 484 . HIS . 52766 1 485 . PRO . 52766 1 486 . GLY . 52766 1 487 . GLU . 52766 1 488 . ILE . 52766 1 489 . GLU . 52766 1 490 . GLU . 52766 1 491 . ALA . 52766 1 492 . GLN . 52766 1 493 . ASP . 52766 1 494 . LEU . 52766 1 495 . ARG . 52766 1 496 . ASP . 52766 1 497 . THR . 52766 1 498 . LEU . 52766 1 499 . THR . 52766 1 500 . GLY . 52766 1 501 . ALA . 52766 1 502 . LEU . 52766 1 503 . GLU . 52766 1 504 . HIS . 52766 1 505 . HIS . 52766 1 506 . HIS . 52766 1 507 . HIS . 52766 1 508 . HIS . 52766 1 509 . HIS . 52766 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 52766 1 . SER 2 2 52766 1 . ARG 3 3 52766 1 . ASP 4 4 52766 1 . PRO 5 5 52766 1 . LEU 6 6 52766 1 . PRO 7 7 52766 1 . PHE 8 8 52766 1 . PHE 9 9 52766 1 . PRO 10 10 52766 1 . PRO 11 11 52766 1 . LEU 12 12 52766 1 . TYR 13 13 52766 1 . LEU 14 14 52766 1 . GLY 15 15 52766 1 . GLY 16 16 52766 1 . PRO 17 17 52766 1 . GLU 18 18 52766 1 . ILE 19 19 52766 1 . THR 20 20 52766 1 . THR 21 21 52766 1 . GLU 22 22 52766 1 . ASN 23 23 52766 1 . CYS 24 24 52766 1 . GLU 25 25 52766 1 . ARG 26 26 52766 1 . GLU 27 27 52766 1 . PRO 28 28 52766 1 . ILE 29 29 52766 1 . HIS 30 30 52766 1 . ILE 31 31 52766 1 . PRO 32 32 52766 1 . GLY 33 33 52766 1 . SER 34 34 52766 1 . ILE 35 35 52766 1 . GLN 36 36 52766 1 . PRO 37 37 52766 1 . HIS 38 38 52766 1 . GLY 39 39 52766 1 . ALA 40 40 52766 1 . LEU 41 41 52766 1 . LEU 42 42 52766 1 . THR 43 43 52766 1 . ALA 44 44 52766 1 . ASP 45 45 52766 1 . GLY 46 46 52766 1 . HIS 47 47 52766 1 . SER 48 48 52766 1 . GLY 49 49 52766 1 . GLU 50 50 52766 1 . VAL 51 51 52766 1 . LEU 52 52 52766 1 . GLN 53 53 52766 1 . MET 54 54 52766 1 . SER 55 55 52766 1 . LEU 56 56 52766 1 . ASN 57 57 52766 1 . ALA 58 58 52766 1 . ALA 59 59 52766 1 . THR 60 60 52766 1 . PHE 61 61 52766 1 . LEU 62 62 52766 1 . GLY 63 63 52766 1 . GLN 64 64 52766 1 . GLU 65 65 52766 1 . PRO 66 66 52766 1 . THR 67 67 52766 1 . VAL 68 68 52766 1 . LEU 69 69 52766 1 . ARG 70 70 52766 1 . GLY 71 71 52766 1 . GLN 72 72 52766 1 . THR 73 73 52766 1 . LEU 74 74 52766 1 . ALA 75 75 52766 1 . ALA 76 76 52766 1 . LEU 77 77 52766 1 . LEU 78 78 52766 1 . PRO 79 79 52766 1 . GLU 80 80 52766 1 . GLN 81 81 52766 1 . TRP 82 82 52766 1 . PRO 83 83 52766 1 . ALA 84 84 52766 1 . LEU 85 85 52766 1 . GLN 86 86 52766 1 . ALA 87 87 52766 1 . ALA 88 88 52766 1 . LEU 89 89 52766 1 . PRO 90 90 52766 1 . PRO 91 91 52766 1 . GLY 92 92 52766 1 . CYS 93 93 52766 1 . PRO 94 94 52766 1 . ASP 95 95 52766 1 . ALA 96 96 52766 1 . LEU 97 97 52766 1 . GLN 98 98 52766 1 . TYR 99 99 52766 1 . ARG 100 100 52766 1 . ALA 101 101 52766 1 . THR 102 102 52766 1 . LEU 103 103 52766 1 . ASP 104 104 52766 1 . TRP 105 105 52766 1 . PRO 106 106 52766 1 . ALA 107 107 52766 1 . ALA 108 108 52766 1 . GLY 109 109 52766 1 . HIS 110 110 52766 1 . LEU 111 111 52766 1 . SER 112 112 52766 1 . LEU 113 113 52766 1 . THR 114 114 52766 1 . VAL 115 115 52766 1 . HIS 116 116 52766 1 . ARG 117 117 52766 1 . VAL 118 118 52766 1 . GLY 119 119 52766 1 . GLU 120 120 52766 1 . LEU 121 121 52766 1 . LEU 122 122 52766 1 . ILE 123 123 52766 1 . LEU 124 124 52766 1 . GLU 125 125 52766 1 . PHE 126 126 52766 1 . GLU 127 127 52766 1 . PRO 128 128 52766 1 . THR 129 129 52766 1 . GLU 130 130 52766 1 . ALA 131 131 52766 1 . TRP 132 132 52766 1 . ASP 133 133 52766 1 . SER 134 134 52766 1 . THR 135 135 52766 1 . GLY 136 136 52766 1 . PRO 137 137 52766 1 . HIS 138 138 52766 1 . ALA 139 139 52766 1 . LEU 140 140 52766 1 . ARG 141 141 52766 1 . ASN 142 142 52766 1 . ALA 143 143 52766 1 . MET 144 144 52766 1 . SER 145 145 52766 1 . ALA 146 146 52766 1 . LEU 147 147 52766 1 . GLU 148 148 52766 1 . SER 149 149 52766 1 . ALA 150 150 52766 1 . PRO 151 151 52766 1 . ASN 152 152 52766 1 . LEU 153 153 52766 1 . ARG 154 154 52766 1 . ALA 155 155 52766 1 . LEU 156 156 52766 1 . ALA 157 157 52766 1 . GLU 158 158 52766 1 . VAL 159 159 52766 1 . ALA 160 160 52766 1 . THR 161 161 52766 1 . GLN 162 162 52766 1 . THR 163 163 52766 1 . VAL 164 164 52766 1 . ARG 165 165 52766 1 . GLU 166 166 52766 1 . LEU 167 167 52766 1 . THR 168 168 52766 1 . GLY 169 169 52766 1 . PHE 170 170 52766 1 . ASP 171 171 52766 1 . ARG 172 172 52766 1 . VAL 173 173 52766 1 . MET 174 174 52766 1 . LEU 175 175 52766 1 . TYR 176 176 52766 1 . LYS 177 177 52766 1 . PHE 178 178 52766 1 . ALA 179 179 52766 1 . PRO 180 180 52766 1 . ASP 181 181 52766 1 . ALA 182 182 52766 1 . THR 183 183 52766 1 . GLY 184 184 52766 1 . GLU 185 185 52766 1 . VAL 186 186 52766 1 . ILE 187 187 52766 1 . ALA 188 188 52766 1 . GLU 189 189 52766 1 . ALA 190 190 52766 1 . ARG 191 191 52766 1 . ARG 192 192 52766 1 . GLU 193 193 52766 1 . GLY 194 194 52766 1 . LEU 195 195 52766 1 . HIS 196 196 52766 1 . ALA 197 197 52766 1 . PHE 198 198 52766 1 . LEU 199 199 52766 1 . GLY 200 200 52766 1 . HIS 201 201 52766 1 . ARG 202 202 52766 1 . PHE 203 203 52766 1 . PRO 204 204 52766 1 . ALA 205 205 52766 1 . SER 206 206 52766 1 . ASP 207 207 52766 1 . ILE 208 208 52766 1 . PRO 209 209 52766 1 . ALA 210 210 52766 1 . GLN 211 211 52766 1 . ALA 212 212 52766 1 . ARG 213 213 52766 1 . ALA 214 214 52766 1 . LEU 215 215 52766 1 . TYR 216 216 52766 1 . THR 217 217 52766 1 . ARG 218 218 52766 1 . HIS 219 219 52766 1 . LEU 220 220 52766 1 . LEU 221 221 52766 1 . ARG 222 222 52766 1 . LEU 223 223 52766 1 . THR 224 224 52766 1 . ALA 225 225 52766 1 . ASP 226 226 52766 1 . THR 227 227 52766 1 . ARG 228 228 52766 1 . ALA 229 229 52766 1 . ALA 230 230 52766 1 . ALA 231 231 52766 1 . VAL 232 232 52766 1 . PRO 233 233 52766 1 . LEU 234 234 52766 1 . ASP 235 235 52766 1 . PRO 236 236 52766 1 . VAL 237 237 52766 1 . LEU 238 238 52766 1 . ASN 239 239 52766 1 . PRO 240 240 52766 1 . GLN 241 241 52766 1 . THR 242 242 52766 1 . ASN 243 243 52766 1 . ALA 244 244 52766 1 . PRO 245 245 52766 1 . THR 246 246 52766 1 . PRO 247 247 52766 1 . LEU 248 248 52766 1 . GLY 249 249 52766 1 . GLY 250 250 52766 1 . ALA 251 251 52766 1 . VAL 252 252 52766 1 . LEU 253 253 52766 1 . ARG 254 254 52766 1 . ALA 255 255 52766 1 . THR 256 256 52766 1 . SER 257 257 52766 1 . PRO 258 258 52766 1 . MET 259 259 52766 1 . HIS 260 260 52766 1 . MET 261 261 52766 1 . GLN 262 262 52766 1 . TYR 263 263 52766 1 . LEU 264 264 52766 1 . ARG 265 265 52766 1 . ASN 266 266 52766 1 . MET 267 267 52766 1 . GLY 268 268 52766 1 . VAL 269 269 52766 1 . GLY 270 270 52766 1 . SER 271 271 52766 1 . SER 272 272 52766 1 . LEU 273 273 52766 1 . SER 274 274 52766 1 . VAL 275 275 52766 1 . SER 276 276 52766 1 . VAL 277 277 52766 1 . VAL 278 278 52766 1 . VAL 279 279 52766 1 . GLY 280 280 52766 1 . GLY 281 281 52766 1 . GLN 282 282 52766 1 . LEU 283 283 52766 1 . TRP 284 284 52766 1 . GLY 285 285 52766 1 . LEU 286 286 52766 1 . ILE 287 287 52766 1 . ALA 288 288 52766 1 . CYS 289 289 52766 1 . HIS 290 290 52766 1 . HIS 291 291 52766 1 . GLN 292 292 52766 1 . THR 293 293 52766 1 . PRO 294 294 52766 1 . TYR 295 295 52766 1 . VAL 296 296 52766 1 . LEU 297 297 52766 1 . PRO 298 298 52766 1 . PRO 299 299 52766 1 . ASP 300 300 52766 1 . LEU 301 301 52766 1 . ARG 302 302 52766 1 . THR 303 303 52766 1 . THR 304 304 52766 1 . LEU 305 305 52766 1 . GLU 306 306 52766 1 . TYR 307 307 52766 1 . LEU 308 308 52766 1 . GLY 309 309 52766 1 . ARG 310 310 52766 1 . GLU 311 311 52766 1 . LEU 312 312 52766 1 . SER 313 313 52766 1 . GLU 314 314 52766 1 . GLN 315 315 52766 1 . VAL 316 316 52766 1 . GLN 317 317 52766 1 . VAL 318 318 52766 1 . LYS 319 319 52766 1 . GLU 320 320 52766 1 . ALA 321 321 52766 1 . ALA 322 322 52766 1 . ASP 323 323 52766 1 . VAL 324 324 52766 1 . ALA 325 325 52766 1 . ALA 326 326 52766 1 . PHE 327 327 52766 1 . ARG 328 328 52766 1 . GLN 329 329 52766 1 . SER 330 330 52766 1 . LEU 331 331 52766 1 . ARG 332 332 52766 1 . GLU 333 333 52766 1 . HIS 334 334 52766 1 . HIS 335 335 52766 1 . ALA 336 336 52766 1 . ARG 337 337 52766 1 . VAL 338 338 52766 1 . ALA 339 339 52766 1 . LEU 340 340 52766 1 . ALA 341 341 52766 1 . ALA 342 342 52766 1 . ALA 343 343 52766 1 . HIS 344 344 52766 1 . SER 345 345 52766 1 . LEU 346 346 52766 1 . SER 347 347 52766 1 . PRO 348 348 52766 1 . HIS 349 349 52766 1 . ASP 350 350 52766 1 . THR 351 351 52766 1 . LEU 352 352 52766 1 . SER 353 353 52766 1 . ASP 354 354 52766 1 . PRO 355 355 52766 1 . ALA 356 356 52766 1 . LEU 357 357 52766 1 . ASP 358 358 52766 1 . LEU 359 359 52766 1 . LEU 360 360 52766 1 . GLY 361 361 52766 1 . LEU 362 362 52766 1 . MET 363 363 52766 1 . ARG 364 364 52766 1 . ALA 365 365 52766 1 . GLY 366 366 52766 1 . GLY 367 367 52766 1 . LEU 368 368 52766 1 . ILE 369 369 52766 1 . LEU 370 370 52766 1 . ARG 371 371 52766 1 . PHE 372 372 52766 1 . GLU 373 373 52766 1 . GLY 374 374 52766 1 . ARG 375 375 52766 1 . TRP 376 376 52766 1 . GLN 377 377 52766 1 . THR 378 378 52766 1 . LEU 379 379 52766 1 . GLY 380 380 52766 1 . GLU 381 381 52766 1 . VAL 382 382 52766 1 . PRO 383 383 52766 1 . PRO 384 384 52766 1 . ALA 385 385 52766 1 . PRO 386 386 52766 1 . ALA 387 387 52766 1 . VAL 388 388 52766 1 . ASP 389 389 52766 1 . ALA 390 390 52766 1 . LEU 391 391 52766 1 . LEU 392 392 52766 1 . ALA 393 393 52766 1 . TRP 394 394 52766 1 . LEU 395 395 52766 1 . GLU 396 396 52766 1 . THR 397 397 52766 1 . GLN 398 398 52766 1 . PRO 399 399 52766 1 . GLY 400 400 52766 1 . ALA 401 401 52766 1 . LEU 402 402 52766 1 . VAL 403 403 52766 1 . GLN 404 404 52766 1 . THR 405 405 52766 1 . ASP 406 406 52766 1 . ALA 407 407 52766 1 . LEU 408 408 52766 1 . GLY 409 409 52766 1 . GLN 410 410 52766 1 . LEU 411 411 52766 1 . TRP 412 412 52766 1 . PRO 413 413 52766 1 . ALA 414 414 52766 1 . GLY 415 415 52766 1 . ALA 416 416 52766 1 . ASP 417 417 52766 1 . LEU 418 418 52766 1 . ALA 419 419 52766 1 . PRO 420 420 52766 1 . SER 421 421 52766 1 . ALA 422 422 52766 1 . ALA 423 423 52766 1 . GLY 424 424 52766 1 . LEU 425 425 52766 1 . LEU 426 426 52766 1 . ALA 427 427 52766 1 . ILE 428 428 52766 1 . SER 429 429 52766 1 . VAL 430 430 52766 1 . GLY 431 431 52766 1 . GLU 432 432 52766 1 . GLY 433 433 52766 1 . TRP 434 434 52766 1 . SER 435 435 52766 1 . GLU 436 436 52766 1 . CYS 437 437 52766 1 . LEU 438 438 52766 1 . VAL 439 439 52766 1 . TRP 440 440 52766 1 . LEU 441 441 52766 1 . ARG 442 442 52766 1 . PRO 443 443 52766 1 . GLU 444 444 52766 1 . LEU 445 445 52766 1 . ARG 446 446 52766 1 . LEU 447 447 52766 1 . GLU 448 448 52766 1 . VAL 449 449 52766 1 . ALA 450 450 52766 1 . TRP 451 451 52766 1 . GLY 452 452 52766 1 . GLY 453 453 52766 1 . ALA 454 454 52766 1 . THR 455 455 52766 1 . PRO 456 456 52766 1 . ASP 457 457 52766 1 . GLN 458 458 52766 1 . ALA 459 459 52766 1 . LYS 460 460 52766 1 . ASP 461 461 52766 1 . ASP 462 462 52766 1 . LEU 463 463 52766 1 . GLY 464 464 52766 1 . PRO 465 465 52766 1 . ARG 466 466 52766 1 . HIS 467 467 52766 1 . SER 468 468 52766 1 . PHE 469 469 52766 1 . ASP 470 470 52766 1 . THR 471 471 52766 1 . TYR 472 472 52766 1 . LEU 473 473 52766 1 . GLU 474 474 52766 1 . GLU 475 475 52766 1 . LYS 476 476 52766 1 . ARG 477 477 52766 1 . GLY 478 478 52766 1 . TYR 479 479 52766 1 . ALA 480 480 52766 1 . GLU 481 481 52766 1 . PRO 482 482 52766 1 . TRP 483 483 52766 1 . HIS 484 484 52766 1 . PRO 485 485 52766 1 . GLY 486 486 52766 1 . GLU 487 487 52766 1 . ILE 488 488 52766 1 . GLU 489 489 52766 1 . GLU 490 490 52766 1 . ALA 491 491 52766 1 . GLN 492 492 52766 1 . ASP 493 493 52766 1 . LEU 494 494 52766 1 . ARG 495 495 52766 1 . ASP 496 496 52766 1 . THR 497 497 52766 1 . LEU 498 498 52766 1 . THR 499 499 52766 1 . GLY 500 500 52766 1 . ALA 501 501 52766 1 . LEU 502 502 52766 1 . GLU 503 503 52766 1 . HIS 504 504 52766 1 . HIS 505 505 52766 1 . HIS 506 506 52766 1 . HIS 507 507 52766 1 . HIS 508 508 52766 1 . HIS 509 509 52766 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 52766 _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 . . . . . . . . . . . . . 52766 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 52766 _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 . . . 52766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52766 _Sample.ID 1 _Sample.Name DrBphP_CBDPHY_Pfr_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 . . . . 52766 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52766 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52766 1 4 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 52766 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 52766 _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 52766 1 pH 6.9 . pH 52766 1 pressure 1 . atm 52766 1 temperature 318 . K 52766 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52766 _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' . 52766 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 52766 _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 MHz' 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 52766 _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 . . . . . . . . . . . . . . . . . 52766 1 2 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52766 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52766 1 4 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52766 1 5 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52766 1 6 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52766 1 7 '2D 1H-15N TROSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52766 1 8 '3D 1H-15N NOESY TROSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52766 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 52766 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DrBphP_CBDPHY_Pfr_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 . . . . . 52766 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52766 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52766 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 52766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'data_CBDPHY_Pfr_final_v2' _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' . . . 52766 1 2 '3D HNCA' . . . 52766 1 3 '3D HNCACB' . . . 52766 1 4 '3D HN(CO)CA' . . . 52766 1 5 '3D HN(CO)CACB' . . . 52766 1 6 '3D HN(CA)CO' . . . 52766 1 7 '2D 1H-15N TROSY' . . . 52766 1 8 '3D 1H-15N NOESY TROSY' . . . 52766 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 . . 52766 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 17 17 PRO C C 13 175.6405687 0.00156874874 . . . . . . . 17 PRO C . 52766 1 2 . 1 . 1 17 17 PRO CA C 13 61.7340386 0.06298070197 . . . . . . . 17 PRO CA . 52766 1 3 . 1 . 1 17 17 PRO CB C 13 31.45688184 0.1231181598 . . . . . . . 17 PRO CB . 52766 1 4 . 1 . 1 18 18 GLU H H 1 7.871960544 0.01196261831 . . . . . . . 18 GLU H . 52766 1 5 . 1 . 1 18 18 GLU C C 13 176.9105231 0.003476861139 . . . . . . . 18 GLU C . 52766 1 6 . 1 . 1 18 18 GLU CA C 13 56.41297781 0 . . . . . . . 18 GLU CA . 52766 1 7 . 1 . 1 18 18 GLU CB C 13 29.12232322 . . . . . . . . 18 GLU CB . 52766 1 8 . 1 . 1 18 18 GLU N N 15 116.7247494 0.1797978656 . . . . . . . 18 GLU N . 52766 1 9 . 1 . 1 19 19 ILE H H 1 8.584635881 0.003783340875 . . . . . . . 19 ILE H . 52766 1 10 . 1 . 1 19 19 ILE C C 13 176.325 . . . . . . . . 19 ILE C . 52766 1 11 . 1 . 1 19 19 ILE CA C 13 58.29044635 0 . . . . . . . 19 ILE CA . 52766 1 12 . 1 . 1 19 19 ILE CB C 13 34.88383229 0.03494637207 . . . . . . . 19 ILE CB . 52766 1 13 . 1 . 1 19 19 ILE N N 15 126.6781537 0.03399250331 . . . . . . . 19 ILE N . 52766 1 14 . 1 . 1 20 20 THR H H 1 9.635365146 0.003783302096 . . . . . . . 20 THR H . 52766 1 15 . 1 . 1 20 20 THR C C 13 175.2870826 0.02610454394 . . . . . . . 20 THR C . 52766 1 16 . 1 . 1 20 20 THR CA C 13 59.44504729 0.08702364401 . . . . . . . 20 THR CA . 52766 1 17 . 1 . 1 20 20 THR CB C 13 72.63117368 0.01553877906 . . . . . . . 20 THR CB . 52766 1 18 . 1 . 1 20 20 THR N N 15 120.7962222 0.06849781471 . . . . . . . 20 THR N . 52766 1 19 . 1 . 1 21 21 THR H H 1 8.540796367 0.003018162155 . . . . . . . 21 THR H . 52766 1 20 . 1 . 1 21 21 THR C C 13 176.0828701 0.01812988724 . . . . . . . 21 THR C . 52766 1 21 . 1 . 1 21 21 THR CA C 13 64.33739223 0.03587807916 . . . . . . . 21 THR CA . 52766 1 22 . 1 . 1 21 21 THR CB C 13 68.13713548 0.13015932 . . . . . . . 21 THR CB . 52766 1 23 . 1 . 1 21 21 THR N N 15 109.2689231 0.01412287579 . . . . . . . 21 THR N . 52766 1 24 . 1 . 1 22 22 GLU H H 1 8.314334785 0.002978744016 . . . . . . . 22 GLU H . 52766 1 25 . 1 . 1 22 22 GLU CA C 13 57.19923723 0 . . . . . . . 22 GLU CA . 52766 1 26 . 1 . 1 22 22 GLU N N 15 118.802 0.0000013 . . . . . . . 22 GLU N . 52766 1 27 . 1 . 1 32 32 PRO C C 13 179.3247223 . . . . . . . . 32 PRO C . 52766 1 28 . 1 . 1 32 32 PRO CA C 13 65.05436118 . . . . . . . . 32 PRO CA . 52766 1 29 . 1 . 1 33 33 GLY H H 1 8.712481393 0.07181702246 . . . . . . . 33 GLY H . 52766 1 30 . 1 . 1 33 33 GLY C C 13 172.051 . . . . . . . . 33 GLY C . 52766 1 31 . 1 . 1 33 33 GLY CA C 13 46.47318357 0.06892729578 . . . . . . . 33 GLY CA . 52766 1 32 . 1 . 1 33 33 GLY N N 15 109.9302 0.1834408897 . . . . . . . 33 GLY N . 52766 1 33 . 1 . 1 34 34 SER H H 1 7.102555556 0.006238075044 . . . . . . . 34 SER H . 52766 1 34 . 1 . 1 34 34 SER C C 13 172.7899169 0.02791685104 . . . . . . . 34 SER C . 52766 1 35 . 1 . 1 34 34 SER CA C 13 56.11409866 0.02441343963 . . . . . . . 34 SER CA . 52766 1 36 . 1 . 1 34 34 SER CB C 13 65.16357137 0.03141578731 . . . . . . . 34 SER CB . 52766 1 37 . 1 . 1 34 34 SER N N 15 108.674 0.04448470403 . . . . . . . 34 SER N . 52766 1 38 . 1 . 1 35 35 ILE H H 1 8.938891769 0.001036826666 . . . . . . . 35 ILE H . 52766 1 39 . 1 . 1 35 35 ILE C C 13 175.6265378 . . . . . . . . 35 ILE C . 52766 1 40 . 1 . 1 35 35 ILE CA C 13 58.38583778 0.04716221606 . . . . . . . 35 ILE CA . 52766 1 41 . 1 . 1 35 35 ILE CB C 13 42.98110576 . . . . . . . . 35 ILE CB . 52766 1 42 . 1 . 1 35 35 ILE N N 15 110.7156756 0.01412573474 . . . . . . . 35 ILE N . 52766 1 43 . 1 . 1 36 36 GLN H H 1 9.094128603 0.003094521958 . . . . . . . 36 GLN H . 52766 1 44 . 1 . 1 36 36 GLN CA C 13 53.74776895 0 . . . . . . . 36 GLN CA . 52766 1 45 . 1 . 1 36 36 GLN CB C 13 29.43285767 0.2311423297 . . . . . . . 36 GLN CB . 52766 1 46 . 1 . 1 36 36 GLN N N 15 122.4208333 0.2295687382 . . . . . . . 36 GLN N . 52766 1 47 . 1 . 1 37 37 PRO C C 13 176.699 . . . . . . . . 37 PRO C . 52766 1 48 . 1 . 1 37 37 PRO CA C 13 64.25488586 0.009280983086 . . . . . . . 37 PRO CA . 52766 1 49 . 1 . 1 38 38 HIS H H 1 7.939492054 0.06714800308 . . . . . . . 38 HIS H . 52766 1 50 . 1 . 1 38 38 HIS C C 13 174.0755 0.00150000086 . . . . . . . 38 HIS C . 52766 1 51 . 1 . 1 38 38 HIS CA C 13 57.46195059 0.113142615 . . . . . . . 38 HIS CA . 52766 1 52 . 1 . 1 38 38 HIS CB C 13 29.33627895 0.06196502497 . . . . . . . 38 HIS CB . 52766 1 53 . 1 . 1 38 38 HIS N N 15 117.8562727 0.2124318462 . . . . . . . 38 HIS N . 52766 1 54 . 1 . 1 39 39 GLY H H 1 6.73616484 0.0009337377988 . . . . . . . 39 GLY H . 52766 1 55 . 1 . 1 39 39 GLY C C 13 169.3461382 0.02513822879 . . . . . . . 39 GLY C . 52766 1 56 . 1 . 1 39 39 GLY CA C 13 43.4765 0.07385515103 . . . . . . . 39 GLY CA . 52766 1 57 . 1 . 1 39 39 GLY N N 15 106.1949001 0.0001116491576 . . . . . . . 39 GLY N . 52766 1 58 . 1 . 1 40 40 ALA H H 1 8.241077581 0.0002194324092 . . . . . . . 40 ALA H . 52766 1 59 . 1 . 1 40 40 ALA C C 13 174.134 0.004999999755 . . . . . . . 40 ALA C . 52766 1 60 . 1 . 1 40 40 ALA CA C 13 49.26275 0.02758056381 . . . . . . . 40 ALA CA . 52766 1 61 . 1 . 1 40 40 ALA CB C 13 21.691 0.066 . . . . . . . 40 ALA CB . 52766 1 62 . 1 . 1 40 40 ALA N N 15 116.4489861 0.000039 . . . . . . . 40 ALA N . 52766 1 63 . 1 . 1 41 41 LEU H H 1 8.15875 0.003031088915 . . . . . . . 41 LEU H . 52766 1 64 . 1 . 1 41 41 LEU C C 13 174.6695 0.006500000121 . . . . . . . 41 LEU C . 52766 1 65 . 1 . 1 41 41 LEU CA C 13 53.914 0.05 . . . . . . . 41 LEU CA . 52766 1 66 . 1 . 1 41 41 LEU CB C 13 47.7015 0.0545 . . . . . . . 41 LEU CB . 52766 1 67 . 1 . 1 41 41 LEU N N 15 122.465 0.000001907 . . . . . . . 41 LEU N . 52766 1 68 . 1 . 1 42 42 LEU H H 1 9.72861117 0.007448210748 . . . . . . . 42 LEU H . 52766 1 69 . 1 . 1 42 42 LEU C C 13 176.031 0.01599999987 . . . . . . . 42 LEU C . 52766 1 70 . 1 . 1 42 42 LEU CA C 13 53.5815 0.09258644609 . . . . . . . 42 LEU CA . 52766 1 71 . 1 . 1 42 42 LEU CB C 13 45.806 . . . . . . . . 42 LEU CB . 52766 1 72 . 1 . 1 42 42 LEU N N 15 124.379125 0.000330717423 . . . . . . . 42 LEU N . 52766 1 73 . 1 . 1 43 43 THR H H 1 9.11985532 0.0003543917951 . . . . . . . 43 THR H . 52766 1 74 . 1 . 1 43 43 THR C C 13 173.949 0.01728197528 . . . . . . . 43 THR C . 52766 1 75 . 1 . 1 43 43 THR CA C 13 58.70640935 0.0779131866 . . . . . . . 43 THR CA . 52766 1 76 . 1 . 1 43 43 THR CB C 13 69.95266667 0.06351027913 . . . . . . . 43 THR CB . 52766 1 77 . 1 . 1 43 43 THR N N 15 112.211 0 . . . . . . . 43 THR N . 52766 1 78 . 1 . 1 44 44 ALA H H 1 9.497545455 0.00172487872 . . . . . . . 44 ALA H . 52766 1 79 . 1 . 1 44 44 ALA C C 13 175.4783065 0.02496544188 . . . . . . . 44 ALA C . 52766 1 80 . 1 . 1 44 44 ALA CA C 13 49.401 0.003000000053 . . . . . . . 44 ALA CA . 52766 1 81 . 1 . 1 44 44 ALA CB C 13 23.04325277 0.002252770007 . . . . . . . 44 ALA CB . 52766 1 82 . 1 . 1 44 44 ALA N N 15 123.5614545 0.007761954265 . . . . . . . 44 ALA N . 52766 1 83 . 1 . 1 45 45 ASP H H 1 8.871271821 0.001272095695 . . . . . . . 45 ASP H . 52766 1 84 . 1 . 1 45 45 ASP CA C 13 55.45525911 0.06839239728 . . . . . . . 45 ASP CA . 52766 1 85 . 1 . 1 45 45 ASP CB C 13 43.81029538 0.08849669995 . . . . . . . 45 ASP CB . 52766 1 86 . 1 . 1 45 45 ASP N N 15 122.6518015 0.06591120056 . . . . . . . 45 ASP N . 52766 1 87 . 1 . 1 46 46 GLY H H 1 9.003090909 0.000668042679 . . . . . . . 46 GLY H . 52766 1 88 . 1 . 1 46 46 GLY C C 13 173.2192557 0.02705084569 . . . . . . . 46 GLY C . 52766 1 89 . 1 . 1 46 46 GLY CA C 13 46.22338636 0.03581893936 . . . . . . . 46 GLY CA . 52766 1 90 . 1 . 1 46 46 GLY N N 15 112.7586364 0.002346086889 . . . . . . . 46 GLY N . 52766 1 91 . 1 . 1 47 47 HIS H H 1 9.169776366 0.004791586128 . . . . . . . 47 HIS H . 52766 1 92 . 1 . 1 47 47 HIS C C 13 176.670446 0.04893175067 . . . . . . . 47 HIS C . 52766 1 93 . 1 . 1 47 47 HIS CA C 13 57.58747767 0.0641934872 . . . . . . . 47 HIS CA . 52766 1 94 . 1 . 1 47 47 HIS CB C 13 30.80833333 0.1039305324 . . . . . . . 47 HIS CB . 52766 1 95 . 1 . 1 47 47 HIS N N 15 119.4297086 0.05472515323 . . . . . . . 47 HIS N . 52766 1 96 . 1 . 1 48 48 SER H H 1 9.484111677 0.003571267798 . . . . . . . 48 SER H . 52766 1 97 . 1 . 1 48 48 SER C C 13 177.0856667 0.03479782888 . . . . . . . 48 SER C . 52766 1 98 . 1 . 1 48 48 SER CA C 13 58.3636 0.05785706525 . . . . . . . 48 SER CA . 52766 1 99 . 1 . 1 48 48 SER CB C 13 64.72333333 0.07094755496 . . . . . . . 48 SER CB . 52766 1 100 . 1 . 1 48 48 SER N N 15 114.3808126 0.04080971358 . . . . . . . 48 SER N . 52766 1 101 . 1 . 1 49 49 GLY H H 1 8.5046 0.0048 . . . . . . . 49 GLY H . 52766 1 102 . 1 . 1 49 49 GLY C C 13 173.8365 0.03549999999 . . . . . . . 49 GLY C . 52766 1 103 . 1 . 1 49 49 GLY CA C 13 46.11990019 0.07863374673 . . . . . . . 49 GLY CA . 52766 1 104 . 1 . 1 49 49 GLY N N 15 111.4936 0.06065509043 . . . . . . . 49 GLY N . 52766 1 105 . 1 . 1 50 50 GLU H H 1 8.226553374 0.0006867301598 . . . . . . . 50 GLU H . 52766 1 106 . 1 . 1 50 50 GLU C C 13 176.0865 0.01050000013 . . . . . . . 50 GLU C . 52766 1 107 . 1 . 1 50 50 GLU CA C 13 56.99766667 0.07880073321 . . . . . . . 50 GLU CA . 52766 1 108 . 1 . 1 50 50 GLU CB C 13 29.86533333 0.09691691746 . . . . . . . 50 GLU CB . 52766 1 109 . 1 . 1 50 50 GLU N N 15 121.6771111 0.06284450728 . . . . . . . 50 GLU N . 52766 1 110 . 1 . 1 51 51 VAL H H 1 8.824636364 0.001149919136 . . . . . . . 51 VAL H . 52766 1 111 . 1 . 1 51 51 VAL C C 13 176.1026667 0.01837268508 . . . . . . . 51 VAL C . 52766 1 112 . 1 . 1 51 51 VAL CA C 13 64.2215 0.03342528982 . . . . . . . 51 VAL CA . 52766 1 113 . 1 . 1 51 51 VAL CB C 13 30.812 0.029 . . . . . . . 51 VAL CB . 52766 1 114 . 1 . 1 51 51 VAL N N 15 126.4300909 0.000287469142 . . . . . . . 51 VAL N . 52766 1 115 . 1 . 1 52 52 LEU H H 1 9.295131706 0.002898652171 . . . . . . . 52 LEU H . 52766 1 116 . 1 . 1 52 52 LEU C C 13 176.928616 0.007552216218 . . . . . . . 52 LEU C . 52766 1 117 . 1 . 1 52 52 LEU CA C 13 55.405 0.04788736786 . . . . . . . 52 LEU CA . 52766 1 118 . 1 . 1 52 52 LEU N N 15 129.4535556 0.04399775532 . . . . . . . 52 LEU N . 52766 1 119 . 1 . 1 53 53 GLN H H 1 7.747145116 0.01458762322 . . . . . . . 53 GLN H . 52766 1 120 . 1 . 1 53 53 GLN C C 13 174.615 0.011430952 . . . . . . . 53 GLN C . 52766 1 121 . 1 . 1 53 53 GLN CA C 13 53.5485 0.04216930163 . . . . . . . 53 GLN CA . 52766 1 122 . 1 . 1 53 53 GLN CB C 13 34.79666667 0.06100455357 . . . . . . . 53 GLN CB . 52766 1 123 . 1 . 1 53 53 GLN N N 15 114.3085556 0.1681633539 . . . . . . . 53 GLN N . 52766 1 124 . 1 . 1 54 54 MET H H 1 8.5193 0.001268857742 . . . . . . . 54 MET H . 52766 1 125 . 1 . 1 54 54 MET C C 13 175.634 0.02599999985 . . . . . . . 54 MET C . 52766 1 126 . 1 . 1 54 54 MET CA C 13 53.4432266 0.02446931972 . . . . . . . 54 MET CA . 52766 1 127 . 1 . 1 54 54 MET CB C 13 36.38101354 0.29901354 . . . . . . . 54 MET CB . 52766 1 128 . 1 . 1 54 54 MET N N 15 114.9414 0.01080000033 . . . . . . . 54 MET N . 52766 1 129 . 1 . 1 55 55 SER H H 1 9.498099741 0.002085945653 . . . . . . . 55 SER H . 52766 1 130 . 1 . 1 55 55 SER C C 13 177.737 . . . . . . . . 55 SER C . 52766 1 131 . 1 . 1 55 55 SER CA C 13 58.5062 0.04567012152 . . . . . . . 55 SER CA . 52766 1 132 . 1 . 1 55 55 SER CB C 13 63.356 0.071 . . . . . . . 55 SER CB . 52766 1 133 . 1 . 1 55 55 SER N N 15 118.769945 0.05363711676 . . . . . . . 55 SER N . 52766 1 134 . 1 . 1 56 56 LEU H H 1 8.515714286 0.003057276364 . . . . . . . 56 LEU H . 52766 1 135 . 1 . 1 56 56 LEU CA C 13 57.4225 0.03449999999 . . . . . . . 56 LEU CA . 52766 1 136 . 1 . 1 56 56 LEU CB C 13 40.993 . . . . . . . . 56 LEU CB . 52766 1 137 . 1 . 1 56 56 LEU N N 15 121.9338571 0.03135706148 . . . . . . . 56 LEU N . 52766 1 138 . 1 . 1 58 58 ALA H H 1 8.030273542 0.0005616563989 . . . . . . . 58 ALA H . 52766 1 139 . 1 . 1 58 58 ALA C C 13 178.4479292 0.005275190841 . . . . . . . 58 ALA C . 52766 1 140 . 1 . 1 58 58 ALA CA C 13 56.11700156 0.02899774992 . . . . . . . 58 ALA CA . 52766 1 141 . 1 . 1 58 58 ALA CB C 13 18.00367632 0.03461882369 . . . . . . . 58 ALA CB . 52766 1 142 . 1 . 1 58 58 ALA N N 15 123.4935 0.004330126702 . . . . . . . 58 ALA N . 52766 1 143 . 1 . 1 59 59 ALA H H 1 8.585794881 0.002493907568 . . . . . . . 59 ALA H . 52766 1 144 . 1 . 1 59 59 ALA C C 13 179.988 0.03827096386 . . . . . . . 59 ALA C . 52766 1 145 . 1 . 1 59 59 ALA CA C 13 55.42316667 0.05385603236 . . . . . . . 59 ALA CA . 52766 1 146 . 1 . 1 59 59 ALA CB C 13 17.23895398 0.02223448602 . . . . . . . 59 ALA CB . 52766 1 147 . 1 . 1 59 59 ALA N N 15 119.0220749 0.05594482482 . . . . . . . 59 ALA N . 52766 1 148 . 1 . 1 60 60 THR H H 1 8.042 0.005627314338 . . . . . . . 60 THR H . 52766 1 149 . 1 . 1 60 60 THR C C 13 176.529 0.02700000006 . . . . . . . 60 THR C . 52766 1 150 . 1 . 1 60 60 THR CA C 13 65.04433333 0.08655377262 . . . . . . . 60 THR CA . 52766 1 151 . 1 . 1 60 60 THR CB C 13 68.31891055 0.003089446752 . . . . . . . 60 THR CB . 52766 1 152 . 1 . 1 60 60 THR N N 15 113.0474167 0.03897319243 . . . . . . . 60 THR N . 52766 1 153 . 1 . 1 61 61 PHE H H 1 8.080362497 0.08551470604 . . . . . . . 61 PHE H . 52766 1 154 . 1 . 1 61 61 PHE C C 13 176.3027003 0.04170027282 . . . . . . . 61 PHE C . 52766 1 155 . 1 . 1 61 61 PHE CA C 13 60.50316667 0.02924845676 . . . . . . . 61 PHE CA . 52766 1 156 . 1 . 1 61 61 PHE CB C 13 39.76333333 0.08839431857 . . . . . . . 61 PHE CB . 52766 1 157 . 1 . 1 61 61 PHE N N 15 121.8879569 0.4657203051 . . . . . . . 61 PHE N . 52766 1 158 . 1 . 1 62 62 LEU H H 1 8.223818783 0.0008797350933 . . . . . . . 62 LEU H . 52766 1 159 . 1 . 1 62 62 LEU C C 13 178.3509 0.01890004695 . . . . . . . 62 LEU C . 52766 1 160 . 1 . 1 62 62 LEU CA C 13 53.823 0.02889059824 . . . . . . . 62 LEU CA . 52766 1 161 . 1 . 1 62 62 LEU CB C 13 41.24866667 0.07943690718 . . . . . . . 62 LEU CB . 52766 1 162 . 1 . 1 62 62 LEU N N 15 112.6160833 0.01630673845 . . . . . . . 62 LEU N . 52766 1 163 . 1 . 1 63 63 GLY H H 1 7.939610897 0.002373427239 . . . . . . . 63 GLY H . 52766 1 164 . 1 . 1 63 63 GLY C C 13 174.187 0.002999998689 . . . . . . . 63 GLY C . 52766 1 165 . 1 . 1 63 63 GLY CA C 13 46.60304991 0.06761146939 . . . . . . . 63 GLY CA . 52766 1 166 . 1 . 1 63 63 GLY N N 15 110.3287512 0.1048141777 . . . . . . . 63 GLY N . 52766 1 167 . 1 . 1 64 64 GLN H H 1 7.917388399 0.06461477618 . . . . . . . 64 GLN H . 52766 1 168 . 1 . 1 64 64 GLN C C 13 174.249 0.00941629817 . . . . . . . 64 GLN C . 52766 1 169 . 1 . 1 64 64 GLN CA C 13 53.0655 0.06004650976 . . . . . . . 64 GLN CA . 52766 1 170 . 1 . 1 64 64 GLN CB C 13 27.36989747 9.699683244 . . . . . . . 64 GLN CB . 52766 1 171 . 1 . 1 64 64 GLN N N 15 116.7094444 0.09090790347 . . . . . . . 64 GLN N . 52766 1 172 . 1 . 1 65 65 GLU H H 1 8.602 0.002696799453 . . . . . . . 65 GLU H . 52766 1 173 . 1 . 1 65 65 GLU CA C 13 54.387 0.023 . . . . . . . 65 GLU CA . 52766 1 174 . 1 . 1 65 65 GLU CB C 13 28.85 . . . . . . . . 65 GLU CB . 52766 1 175 . 1 . 1 65 65 GLU N N 15 121.098 0.000003568 . . . . . . . 65 GLU N . 52766 1 176 . 1 . 1 66 66 PRO C C 13 177.907542 . . . . . . . . 66 PRO C . 52766 1 177 . 1 . 1 66 66 PRO CA C 13 66.12433333 0.04634891825 . . . . . . . 66 PRO CA . 52766 1 178 . 1 . 1 67 67 THR H H 1 7.930744749 0.001339578229 . . . . . . . 67 THR H . 52766 1 179 . 1 . 1 67 67 THR C C 13 176.1631784 0.03817840106 . . . . . . . 67 THR C . 52766 1 180 . 1 . 1 67 67 THR CA C 13 64.12716667 0.062242581 . . . . . . . 67 THR CA . 52766 1 181 . 1 . 1 67 67 THR CB C 13 68.23333333 0.03260197676 . . . . . . . 67 THR CB . 52766 1 182 . 1 . 1 67 67 THR N N 15 106.7615161 0.03380287684 . . . . . . . 67 THR N . 52766 1 183 . 1 . 1 68 68 VAL H H 1 7.360272727 0.002489647992 . . . . . . . 68 VAL H . 52766 1 184 . 1 . 1 68 68 VAL C C 13 177.674 0.01272792221 . . . . . . . 68 VAL C . 52766 1 185 . 1 . 1 68 68 VAL CA C 13 63.64683333 0.0551132672 . . . . . . . 68 VAL CA . 52766 1 186 . 1 . 1 68 68 VAL CB C 13 31.47566667 0.09772182743 . . . . . . . 68 VAL CB . 52766 1 187 . 1 . 1 68 68 VAL N N 15 120.9583636 0.05041333287 . . . . . . . 68 VAL N . 52766 1 188 . 1 . 1 69 69 LEU H H 1 7.77 0.000000188 . . . . . . . 69 LEU H . 52766 1 189 . 1 . 1 69 69 LEU C C 13 177.2846667 0.0151730755 . . . . . . . 69 LEU C . 52766 1 190 . 1 . 1 69 69 LEU CA C 13 57.11359751 0.06021695259 . . . . . . . 69 LEU CA . 52766 1 191 . 1 . 1 69 69 LEU CB C 13 42.28733333 0.07942431758 . . . . . . . 69 LEU CB . 52766 1 192 . 1 . 1 69 69 LEU N N 15 120.688 0.000003568 . . . . . . . 69 LEU N . 52766 1 193 . 1 . 1 70 70 ARG H H 1 7.754627185 0.004680330114 . . . . . . . 70 ARG H . 52766 1 194 . 1 . 1 70 70 ARG C C 13 176.905 0.01070825221 . . . . . . . 70 ARG C . 52766 1 195 . 1 . 1 70 70 ARG CA C 13 57.89504453 0.03819574116 . . . . . . . 70 ARG CA . 52766 1 196 . 1 . 1 70 70 ARG CB C 13 29.04033333 0.02980305727 . . . . . . . 70 ARG CB . 52766 1 197 . 1 . 1 70 70 ARG N N 15 114.7651506 0.06002913852 . . . . . . . 70 ARG N . 52766 1 198 . 1 . 1 71 71 GLY H H 1 8.054272727 0.001911254181 . . . . . . . 71 GLY H . 52766 1 199 . 1 . 1 71 71 GLY C C 13 174.6013333 0.04034297385 . . . . . . . 71 GLY C . 52766 1 200 . 1 . 1 71 71 GLY CA C 13 44.9275 0.06801164115 . . . . . . . 71 GLY CA . 52766 1 201 . 1 . 1 71 71 GLY N N 15 109.7453636 0.01403419665 . . . . . . . 71 GLY N . 52766 1 202 . 1 . 1 72 72 GLN H H 1 7.68 0.003193743885 . . . . . . . 72 GLN H . 52766 1 203 . 1 . 1 72 72 GLN C C 13 175.59 0.01122497212 . . . . . . . 72 GLN C . 52766 1 204 . 1 . 1 72 72 GLN CA C 13 55.05083333 0.06709301172 . . . . . . . 72 GLN CA . 52766 1 205 . 1 . 1 72 72 GLN CB C 13 29.743 0.07317103252 . . . . . . . 72 GLN CB . 52766 1 206 . 1 . 1 72 72 GLN N N 15 119.9883 0.02638200137 . . . . . . . 72 GLN N . 52766 1 207 . 1 . 1 73 73 THR H H 1 8.16425 0.0008291561751 . . . . . . . 73 THR H . 52766 1 208 . 1 . 1 73 73 THR C C 13 176.9546382 0.02240703062 . . . . . . . 73 THR C . 52766 1 209 . 1 . 1 73 73 THR CA C 13 58.89833741 0.02983369745 . . . . . . . 73 THR CA . 52766 1 210 . 1 . 1 73 73 THR CB C 13 70.67266667 0.06557607965 . . . . . . . 73 THR CB . 52766 1 211 . 1 . 1 73 73 THR N N 15 109.8859167 0.000276387914 . . . . . . . 73 THR N . 52766 1 212 . 1 . 1 74 74 LEU H H 1 8.751591448 0.003388692284 . . . . . . . 74 LEU H . 52766 1 213 . 1 . 1 74 74 LEU C C 13 177.4486667 0.01189771222 . . . . . . . 74 LEU C . 52766 1 214 . 1 . 1 74 74 LEU CA C 13 56.947 0.06435060217 . . . . . . . 74 LEU CA . 52766 1 215 . 1 . 1 74 74 LEU CB C 13 40.75833333 0.03346972097 . . . . . . . 74 LEU CB . 52766 1 216 . 1 . 1 74 74 LEU N N 15 121.3491525 0.05108853734 . . . . . . . 74 LEU N . 52766 1 217 . 1 . 1 75 75 ALA H H 1 7.311 0.002549509755 . . . . . . . 75 ALA H . 52766 1 218 . 1 . 1 75 75 ALA C C 13 178.3816667 0.01405544594 . . . . . . . 75 ALA C . 52766 1 219 . 1 . 1 75 75 ALA CA C 13 54.33983333 0.076051335 . . . . . . . 75 ALA CA . 52766 1 220 . 1 . 1 75 75 ALA CB C 13 17.22966667 0.08701085501 . . . . . . . 75 ALA CB . 52766 1 221 . 1 . 1 75 75 ALA N N 15 118.5154167 0.03896677717 . . . . . . . 75 ALA N . 52766 1 222 . 1 . 1 76 76 ALA H H 1 7.146083333 0.002596739409 . . . . . . . 76 ALA H . 52766 1 223 . 1 . 1 76 76 ALA C C 13 179.3295 0.02250000005 . . . . . . . 76 ALA C . 52766 1 224 . 1 . 1 76 76 ALA CA C 13 52.65280694 0.05300951409 . . . . . . . 76 ALA CA . 52766 1 225 . 1 . 1 76 76 ALA CB C 13 18.842 0.001999999997 . . . . . . . 76 ALA CB . 52766 1 226 . 1 . 1 76 76 ALA N N 15 117.2818333 0.02728196384 . . . . . . . 76 ALA N . 52766 1 227 . 1 . 1 77 77 LEU H H 1 8.006527393 0.003267488056 . . . . . . . 77 LEU H . 52766 1 228 . 1 . 1 77 77 LEU C C 13 176.8061819 0.001818121495 . . . . . . . 77 LEU C . 52766 1 229 . 1 . 1 77 77 LEU CA C 13 56.76505127 0.03434599366 . . . . . . . 77 LEU CA . 52766 1 230 . 1 . 1 77 77 LEU CB C 13 43.98608855 0.01986160181 . . . . . . . 77 LEU CB . 52766 1 231 . 1 . 1 77 77 LEU N N 15 118.7631 0.009115371675 . . . . . . . 77 LEU N . 52766 1 232 . 1 . 1 78 78 LEU H H 1 8.524703396 0.003429149262 . . . . . . . 78 LEU H . 52766 1 233 . 1 . 1 78 78 LEU CA C 13 51.23566369 0.07738467 . . . . . . . 78 LEU CA . 52766 1 234 . 1 . 1 78 78 LEU CB C 13 42.3912914 . . . . . . . . 78 LEU CB . 52766 1 235 . 1 . 1 78 78 LEU N N 15 116.3121198 0.0000424 . . . . . . . 78 LEU N . 52766 1 236 . 1 . 1 79 79 PRO C C 13 179.958 0.006000000106 . . . . . . . 79 PRO C . 52766 1 237 . 1 . 1 79 79 PRO CA C 13 65.73825 0.07105059816 . . . . . . . 79 PRO CA . 52766 1 238 . 1 . 1 79 79 PRO CB C 13 30.886 0.066 . . . . . . . 79 PRO CB . 52766 1 239 . 1 . 1 80 80 GLU H H 1 8.647 0.000000119 . . . . . . . 80 GLU H . 52766 1 240 . 1 . 1 80 80 GLU C C 13 178.2453333 0.02678722752 . . . . . . . 80 GLU C . 52766 1 241 . 1 . 1 80 80 GLU CA C 13 57.66775 0.0580447026 . . . . . . . 80 GLU CA . 52766 1 242 . 1 . 1 80 80 GLU CB C 13 28.96466667 0.07920577981 . . . . . . . 80 GLU CB . 52766 1 243 . 1 . 1 80 80 GLU N N 15 113.59225 0.03795199826 . . . . . . . 80 GLU N . 52766 1 244 . 1 . 1 81 81 GLN H H 1 7.6185 0.001627882059 . . . . . . . 81 GLN H . 52766 1 245 . 1 . 1 81 81 GLN C C 13 176.827 0.006976149983 . . . . . . . 81 GLN C . 52766 1 246 . 1 . 1 81 81 GLN CA C 13 57.465 0.04692547282 . . . . . . . 81 GLN CA . 52766 1 247 . 1 . 1 81 81 GLN CB C 13 28.038 0.08276875417 . . . . . . . 81 GLN CB . 52766 1 248 . 1 . 1 81 81 GLN N N 15 116.6103 0.04777876096 . . . . . . . 81 GLN N . 52766 1 249 . 1 . 1 82 82 TRP H H 1 8.86775 0.001299038085 . . . . . . . 82 TRP H . 52766 1 250 . 1 . 1 82 82 TRP C C 13 173.451 . . . . . . . . 82 TRP C . 52766 1 251 . 1 . 1 82 82 TRP CA C 13 61.195 0.02999999999 . . . . . . . 82 TRP CA . 52766 1 252 . 1 . 1 82 82 TRP CB C 13 27.486 . . . . . . . . 82 TRP CB . 52766 1 253 . 1 . 1 82 82 TRP N N 15 120.4124167 0.005251322738 . . . . . . . 82 TRP N . 52766 1 254 . 1 . 1 83 83 PRO C C 13 179.6015 0.03249999999 . . . . . . . 83 PRO C . 52766 1 255 . 1 . 1 83 83 PRO CA C 13 65.262 0.06767200307 . . . . . . . 83 PRO CA . 52766 1 256 . 1 . 1 83 83 PRO CB C 13 29.7425 0.0705 . . . . . . . 83 PRO CB . 52766 1 257 . 1 . 1 84 84 ALA H H 1 6.861583333 0.003174332827 . . . . . . . 84 ALA H . 52766 1 258 . 1 . 1 84 84 ALA C C 13 180.1032361 0.01376389412 . . . . . . . 84 ALA C . 52766 1 259 . 1 . 1 84 84 ALA CA C 13 54.17099364 0.06229966301 . . . . . . . 84 ALA CA . 52766 1 260 . 1 . 1 84 84 ALA CB C 13 17.89566667 0.06767733906 . . . . . . . 84 ALA CB . 52766 1 261 . 1 . 1 84 84 ALA N N 15 120.4218333 0.04053564962 . . . . . . . 84 ALA N . 52766 1 262 . 1 . 1 85 85 LEU H H 1 8.506693334 0.004206214733 . . . . . . . 85 LEU H . 52766 1 263 . 1 . 1 85 85 LEU C C 13 177.923 0.02099999983 . . . . . . . 85 LEU C . 52766 1 264 . 1 . 1 85 85 LEU CA C 13 57.64916667 0.06187734284 . . . . . . . 85 LEU CA . 52766 1 265 . 1 . 1 85 85 LEU CB C 13 40.61731092 0.0499404948 . . . . . . . 85 LEU CB . 52766 1 266 . 1 . 1 85 85 LEU N N 15 121.5163686 0.07185254974 . . . . . . . 85 LEU N . 52766 1 267 . 1 . 1 86 86 GLN H H 1 7.450931993 0.004280639119 . . . . . . . 86 GLN H . 52766 1 268 . 1 . 1 86 86 GLN C C 13 178.0046667 0.0292270802 . . . . . . . 86 GLN C . 52766 1 269 . 1 . 1 86 86 GLN CA C 13 58.27066667 0.05453031776 . . . . . . . 86 GLN CA . 52766 1 270 . 1 . 1 86 86 GLN CB C 13 28.782 0.09475230868 . . . . . . . 86 GLN CB . 52766 1 271 . 1 . 1 86 86 GLN N N 15 116.9875455 0.02673562008 . . . . . . . 86 GLN N . 52766 1 272 . 1 . 1 87 87 ALA H H 1 7.0685 0.004974937186 . . . . . . . 87 ALA H . 52766 1 273 . 1 . 1 87 87 ALA C C 13 178.9613333 0.008730533922 . . . . . . . 87 ALA C . 52766 1 274 . 1 . 1 87 87 ALA CA C 13 53.1335 0.05117372373 . . . . . . . 87 ALA CA . 52766 1 275 . 1 . 1 87 87 ALA CB C 13 17.86333333 0.07661737546 . . . . . . . 87 ALA CB . 52766 1 276 . 1 . 1 87 87 ALA N N 15 118.0879167 0.006909634932 . . . . . . . 87 ALA N . 52766 1 277 . 1 . 1 88 88 ALA H H 1 7.7856 0.0072 . . . . . . . 88 ALA H . 52766 1 278 . 1 . 1 88 88 ALA C C 13 177.4535 0.01049999979 . . . . . . . 88 ALA C . 52766 1 279 . 1 . 1 88 88 ALA CA C 13 53.472 0.05586889414 . . . . . . . 88 ALA CA . 52766 1 280 . 1 . 1 88 88 ALA CB C 13 19.67433333 0.06599663291 . . . . . . . 88 ALA CB . 52766 1 281 . 1 . 1 88 88 ALA N N 15 118.922 0.03909219872 . . . . . . . 88 ALA N . 52766 1 282 . 1 . 1 89 89 LEU H H 1 7.207139591 0.003117843068 . . . . . . . 89 LEU H . 52766 1 283 . 1 . 1 89 89 LEU CA C 13 50.5605 0.02149999999 . . . . . . . 89 LEU CA . 52766 1 284 . 1 . 1 89 89 LEU CB C 13 40.978 . . . . . . . . 89 LEU CB . 52766 1 285 . 1 . 1 89 89 LEU N N 15 115.355 0 . . . . . . . 89 LEU N . 52766 1 286 . 1 . 1 94 94 PRO C C 13 178.1481663 0.02734233602 . . . . . . . 94 PRO C . 52766 1 287 . 1 . 1 94 94 PRO CA C 13 63.09475 0.09800860931 . . . . . . . 94 PRO CA . 52766 1 288 . 1 . 1 94 94 PRO CB C 13 31.603 . . . . . . . . 94 PRO CB . 52766 1 289 . 1 . 1 95 95 ASP H H 1 8.941104748 0.005505835675 . . . . . . . 95 ASP H . 52766 1 290 . 1 . 1 95 95 ASP C C 13 176.033 0.009999999692 . . . . . . . 95 ASP C . 52766 1 291 . 1 . 1 95 95 ASP CA C 13 55.5745 0.04932291557 . . . . . . . 95 ASP CA . 52766 1 292 . 1 . 1 95 95 ASP CB C 13 40.257 0.066 . . . . . . . 95 ASP CB . 52766 1 293 . 1 . 1 95 95 ASP N N 15 123.1194022 0.05320097211 . . . . . . . 95 ASP N . 52766 1 294 . 1 . 1 96 96 ALA H H 1 7.1559054 0.0002362185841 . . . . . . . 96 ALA H . 52766 1 295 . 1 . 1 96 96 ALA C C 13 177.6731914 0.01717913041 . . . . . . . 96 ALA C . 52766 1 296 . 1 . 1 96 96 ALA CA C 13 51.49467637 0.07047406109 . . . . . . . 96 ALA CA . 52766 1 297 . 1 . 1 96 96 ALA CB C 13 18.78256748 0.07115079852 . . . . . . . 96 ALA CB . 52766 1 298 . 1 . 1 96 96 ALA N N 15 117.2869073 0.04501346281 . . . . . . . 96 ALA N . 52766 1 299 . 1 . 1 97 97 LEU H H 1 7.468345997 0.003284191197 . . . . . . . 97 LEU H . 52766 1 300 . 1 . 1 97 97 LEU C C 13 175.4905 0.01349999993 . . . . . . . 97 LEU C . 52766 1 301 . 1 . 1 97 97 LEU CA C 13 55.16585693 0.02905578451 . . . . . . . 97 LEU CA . 52766 1 302 . 1 . 1 97 97 LEU CB C 13 41.91963165 0.01953852405 . . . . . . . 97 LEU CB . 52766 1 303 . 1 . 1 97 97 LEU N N 15 121.1033878 0.03859546658 . . . . . . . 97 LEU N . 52766 1 304 . 1 . 1 98 98 GLN H H 1 8.375068339 0.0009280426807 . . . . . . . 98 GLN H . 52766 1 305 . 1 . 1 98 98 GLN C C 13 176.5715511 0.01280665005 . . . . . . . 98 GLN C . 52766 1 306 . 1 . 1 98 98 GLN CA C 13 53.5078499 0.01139443542 . . . . . . . 98 GLN CA . 52766 1 307 . 1 . 1 98 98 GLN CB C 13 31.38324513 0.03524512576 . . . . . . . 98 GLN CB . 52766 1 308 . 1 . 1 98 98 GLN N N 15 121.0969958 0.004746124057 . . . . . . . 98 GLN N . 52766 1 309 . 1 . 1 99 99 TYR H H 1 9.452443622 0.001131902399 . . . . . . . 99 TYR H . 52766 1 310 . 1 . 1 99 99 TYR C C 13 173.8186667 0.02569478989 . . . . . . . 99 TYR C . 52766 1 311 . 1 . 1 99 99 TYR CA C 13 56.87716667 0.06205217338 . . . . . . . 99 TYR CA . 52766 1 312 . 1 . 1 99 99 TYR CB C 13 40.38933333 0.07501703511 . . . . . . . 99 TYR CB . 52766 1 313 . 1 . 1 99 99 TYR N N 15 124.9262932 0.0003936399768 . . . . . . . 99 TYR N . 52766 1 314 . 1 . 1 100 100 ARG H H 1 7.829666667 0.0007453559947 . . . . . . . 100 ARG H . 52766 1 315 . 1 . 1 100 100 ARG C C 13 174.5855 0.008500000048 . . . . . . . 100 ARG C . 52766 1 316 . 1 . 1 100 100 ARG CA C 13 53.80283333 0.07245324163 . . . . . . . 100 ARG CA . 52766 1 317 . 1 . 1 100 100 ARG CB C 13 32.82066667 0.04553631029 . . . . . . . 100 ARG CB . 52766 1 318 . 1 . 1 100 100 ARG N N 15 126.9801667 0.009906507517 . . . . . . . 100 ARG N . 52766 1 319 . 1 . 1 101 101 ALA H H 1 8.869181818 0.0003856946697 . . . . . . . 101 ALA H . 52766 1 320 . 1 . 1 101 101 ALA C C 13 175.8126667 0.01621384873 . . . . . . . 101 ALA C . 52766 1 321 . 1 . 1 101 101 ALA CA C 13 50.914 0.07167751855 . . . . . . . 101 ALA CA . 52766 1 322 . 1 . 1 101 101 ALA CB C 13 22.50866667 0.07774030843 . . . . . . . 101 ALA CB . 52766 1 323 . 1 . 1 101 101 ALA N N 15 123.4097273 0.03912704458 . . . . . . . 101 ALA N . 52766 1 324 . 1 . 1 102 102 THR H H 1 8.453 0.000000119 . . . . . . . 102 THR H . 52766 1 325 . 1 . 1 102 102 THR C C 13 173.6235 0.01349999993 . . . . . . . 102 THR C . 52766 1 326 . 1 . 1 102 102 THR CA C 13 61.01166667 0.03705701313 . . . . . . . 102 THR CA . 52766 1 327 . 1 . 1 102 102 THR CB C 13 69.7666 0.06990736728 . . . . . . . 102 THR CB . 52766 1 328 . 1 . 1 102 102 THR N N 15 114.945 0.00000301578 . . . . . . . 102 THR N . 52766 1 329 . 1 . 1 103 103 LEU H H 1 9.426733333 0.0183028838 . . . . . . . 103 LEU H . 52766 1 330 . 1 . 1 103 103 LEU C C 13 175.2686101 0.01842998078 . . . . . . . 103 LEU C . 52766 1 331 . 1 . 1 103 103 LEU CA C 13 53.62516667 0.05040640391 . . . . . . . 103 LEU CA . 52766 1 332 . 1 . 1 103 103 LEU CB C 13 43.4165 0.0639081372 . . . . . . . 103 LEU CB . 52766 1 333 . 1 . 1 103 103 LEU N N 15 124.4248 0.2536373264 . . . . . . . 103 LEU N . 52766 1 334 . 1 . 1 104 104 ASP H H 1 8.802201716 0.002817906107 . . . . . . . 104 ASP H . 52766 1 335 . 1 . 1 104 104 ASP C C 13 174.9765565 0.0274434999 . . . . . . . 104 ASP C . 52766 1 336 . 1 . 1 104 104 ASP CA C 13 53.58966667 0.0558350746 . . . . . . . 104 ASP CA . 52766 1 337 . 1 . 1 104 104 ASP CB C 13 40.639 0.004242640709 . . . . . . . 104 ASP CB . 52766 1 338 . 1 . 1 104 104 ASP N N 15 123.0097219 0.02191172021 . . . . . . . 104 ASP N . 52766 1 339 . 1 . 1 105 105 TRP H H 1 8.598307319 0.004190578519 . . . . . . . 105 TRP H . 52766 1 340 . 1 . 1 105 105 TRP C C 13 174.97 . . . . . . . . 105 TRP C . 52766 1 341 . 1 . 1 105 105 TRP CA C 13 53.78299129 0.002288606554 . . . . . . . 105 TRP CA . 52766 1 342 . 1 . 1 105 105 TRP CB C 13 31.83182395 . . . . . . . . 105 TRP CB . 52766 1 343 . 1 . 1 105 105 TRP N N 15 128.344125 0.0003307091727 . . . . . . . 105 TRP N . 52766 1 344 . 1 . 1 106 106 PRO C C 13 177.6695172 . . . . . . . . 106 PRO C . 52766 1 345 . 1 . 1 106 106 PRO CA C 13 64.92634689 0.01034689006 . . . . . . . 106 PRO CA . 52766 1 346 . 1 . 1 107 107 ALA H H 1 8.217303582 0.006267439795 . . . . . . . 107 ALA H . 52766 1 347 . 1 . 1 107 107 ALA C C 13 177.4744056 0.003127968601 . . . . . . . 107 ALA C . 52766 1 348 . 1 . 1 107 107 ALA CA C 13 54.09994822 0.08977474208 . . . . . . . 107 ALA CA . 52766 1 349 . 1 . 1 107 107 ALA CB C 13 18.10803694 0.005604606704 . . . . . . . 107 ALA CB . 52766 1 350 . 1 . 1 107 107 ALA N N 15 119.7221457 0.02088242888 . . . . . . . 107 ALA N . 52766 1 351 . 1 . 1 108 108 ALA H H 1 8.361532747 0.003587815658 . . . . . . . 108 ALA H . 52766 1 352 . 1 . 1 108 108 ALA C C 13 177.2047282 0.01928422578 . . . . . . . 108 ALA C . 52766 1 353 . 1 . 1 108 108 ALA CA C 13 52.56403348 0.04554484411 . . . . . . . 108 ALA CA . 52766 1 354 . 1 . 1 108 108 ALA CB C 13 20.92533333 0.02900957696 . . . . . . . 108 ALA CB . 52766 1 355 . 1 . 1 108 108 ALA N N 15 120.6830043 0.01549663578 . . . . . . . 108 ALA N . 52766 1 356 . 1 . 1 109 109 GLY H H 1 8.4785 0.004031128871 . . . . . . . 109 GLY H . 52766 1 357 . 1 . 1 109 109 GLY C C 13 172.9824106 0.01751372227 . . . . . . . 109 GLY C . 52766 1 358 . 1 . 1 109 109 GLY CA C 13 44.56156957 0.05765215127 . . . . . . . 109 GLY CA . 52766 1 359 . 1 . 1 109 109 GLY N N 15 108.1073 0.002865309048 . . . . . . . 109 GLY N . 52766 1 360 . 1 . 1 110 110 HIS H H 1 8.511971485 0.008549819878 . . . . . . . 110 HIS H . 52766 1 361 . 1 . 1 110 110 HIS C C 13 175.3086667 0.02017148729 . . . . . . . 110 HIS C . 52766 1 362 . 1 . 1 110 110 HIS CA C 13 55.89971429 0.0586776041 . . . . . . . 110 HIS CA . 52766 1 363 . 1 . 1 110 110 HIS CB C 13 29.62027275 0.06595383609 . . . . . . . 110 HIS CB . 52766 1 364 . 1 . 1 110 110 HIS N N 15 121.2099976 0.07874010251 . . . . . . . 110 HIS N . 52766 1 365 . 1 . 1 111 111 LEU H H 1 9.304 0.001632993168 . . . . . . . 111 LEU H . 52766 1 366 . 1 . 1 111 111 LEU C C 13 176.1554328 0.02345510966 . . . . . . . 111 LEU C . 52766 1 367 . 1 . 1 111 111 LEU CA C 13 53.08116667 0.08311320928 . . . . . . . 111 LEU CA . 52766 1 368 . 1 . 1 111 111 LEU CB C 13 45.54733333 0.08964497879 . . . . . . . 111 LEU CB . 52766 1 369 . 1 . 1 111 111 LEU N N 15 123.9805 0.03784067463 . . . . . . . 111 LEU N . 52766 1 370 . 1 . 1 112 112 SER H H 1 9.616706095 0.001735261022 . . . . . . . 112 SER H . 52766 1 371 . 1 . 1 112 112 SER C C 13 173.0844171 0.005417084018 . . . . . . . 112 SER C . 52766 1 372 . 1 . 1 112 112 SER CA C 13 57.42908214 0.02114236049 . . . . . . . 112 SER CA . 52766 1 373 . 1 . 1 112 112 SER CB C 13 63.388643 0.0546502619 . . . . . . . 112 SER CB . 52766 1 374 . 1 . 1 112 112 SER N N 15 116.9774785 0.06170548507 . . . . . . . 112 SER N . 52766 1 375 . 1 . 1 113 113 LEU H H 1 9.167894916 0.0001549947245 . . . . . . . 113 LEU H . 52766 1 376 . 1 . 1 113 113 LEU CA C 13 52.85366987 0.07872997708 . . . . . . . 113 LEU CA . 52766 1 377 . 1 . 1 113 113 LEU CB C 13 43.87163369 0.01288119812 . . . . . . . 113 LEU CB . 52766 1 378 . 1 . 1 113 113 LEU N N 15 131.1548098 0.06808767663 . . . . . . . 113 LEU N . 52766 1 379 . 1 . 1 114 114 THR H H 1 9.206596169 0.0006512183636 . . . . . . . 114 THR H . 52766 1 380 . 1 . 1 114 114 THR C C 13 174.3195 0.0004999946276 . . . . . . . 114 THR C . 52766 1 381 . 1 . 1 114 114 THR CA C 13 62.28170512 0.01348357156 . . . . . . . 114 THR CA . 52766 1 382 . 1 . 1 114 114 THR CB C 13 70.08733333 0.05755770052 . . . . . . . 114 THR CB . 52766 1 383 . 1 . 1 114 114 THR N N 15 124.370869 0.01532709183 . . . . . . . 114 THR N . 52766 1 384 . 1 . 1 115 115 VAL H H 1 9.967205885 0.00270539379 . . . . . . . 115 VAL H . 52766 1 385 . 1 . 1 115 115 VAL C C 13 174.483 0.001000000169 . . . . . . . 115 VAL C . 52766 1 386 . 1 . 1 115 115 VAL CA C 13 59.36303484 0.02871205298 . . . . . . . 115 VAL CA . 52766 1 387 . 1 . 1 115 115 VAL CB C 13 34.1842007 0.007471587892 . . . . . . . 115 VAL CB . 52766 1 388 . 1 . 1 115 115 VAL N N 15 129.4011888 0.06038432499 . . . . . . . 115 VAL N . 52766 1 389 . 1 . 1 116 116 HIS H H 1 8.777542265 0.002885429141 . . . . . . . 116 HIS H . 52766 1 390 . 1 . 1 116 116 HIS C C 13 170.7509248 0.01686422189 . . . . . . . 116 HIS C . 52766 1 391 . 1 . 1 116 116 HIS CA C 13 55.43264085 0.06538392804 . . . . . . . 116 HIS CA . 52766 1 392 . 1 . 1 116 116 HIS CB C 13 31.1206192 0.01061032945 . . . . . . . 116 HIS CB . 52766 1 393 . 1 . 1 116 116 HIS N N 15 122.602 0.0000013 . . . . . . . 116 HIS N . 52766 1 394 . 1 . 1 117 117 ARG H H 1 10.60160294 0.0009260894636 . . . . . . . 117 ARG H . 52766 1 395 . 1 . 1 117 117 ARG C C 13 175.9626667 0.00865383644 . . . . . . . 117 ARG C . 52766 1 396 . 1 . 1 117 117 ARG CA C 13 54.2925 0.089639556 . . . . . . . 117 ARG CA . 52766 1 397 . 1 . 1 117 117 ARG CB C 13 33.59059755 0.1019970412 . . . . . . . 117 ARG CB . 52766 1 398 . 1 . 1 117 117 ARG N N 15 124.5123333 0.009348202565 . . . . . . . 117 ARG N . 52766 1 399 . 1 . 1 118 118 VAL H H 1 8.912647388 0.002147144028 . . . . . . . 118 VAL H . 52766 1 400 . 1 . 1 118 118 VAL C C 13 177.03 0.04656894537 . . . . . . . 118 VAL C . 52766 1 401 . 1 . 1 118 118 VAL CA C 13 60.15233333 0.05320296567 . . . . . . . 118 VAL CA . 52766 1 402 . 1 . 1 118 118 VAL CB C 13 32.81033333 0.159089772 . . . . . . . 118 VAL CB . 52766 1 403 . 1 . 1 118 118 VAL N N 15 125.4730682 0.0002263645986 . . . . . . . 118 VAL N . 52766 1 404 . 1 . 1 119 119 GLY H H 1 9.126909091 0.002353123464 . . . . . . . 119 GLY H . 52766 1 405 . 1 . 1 119 119 GLY C C 13 175.402 . . . . . . . . 119 GLY C . 52766 1 406 . 1 . 1 119 119 GLY CA C 13 47.441 0.02499999999 . . . . . . . 119 GLY CA . 52766 1 407 . 1 . 1 119 119 GLY N N 15 117.9617273 0.03089304395 . . . . . . . 119 GLY N . 52766 1 408 . 1 . 1 120 120 GLU C C 13 174.8944183 . . . . . . . . 120 GLU C . 52766 1 409 . 1 . 1 120 120 GLU CB C 13 28.3131302 0.049585145 . . . . . . . 120 GLU CB . 52766 1 410 . 1 . 1 121 121 LEU H H 1 8.606482383 0.001913252671 . . . . . . . 121 LEU H . 52766 1 411 . 1 . 1 121 121 LEU C C 13 175.586 0.007999999763 . . . . . . . 121 LEU C . 52766 1 412 . 1 . 1 121 121 LEU CA C 13 53.69619226 0.0511013642 . . . . . . . 121 LEU CA . 52766 1 413 . 1 . 1 121 121 LEU CB C 13 45.58900735 0.01476745279 . . . . . . . 121 LEU CB . 52766 1 414 . 1 . 1 121 121 LEU N N 15 125.7475667 0.003351931476 . . . . . . . 121 LEU N . 52766 1 415 . 1 . 1 122 122 LEU H H 1 9.237408975 0.003105558279 . . . . . . . 122 LEU H . 52766 1 416 . 1 . 1 122 122 LEU C C 13 175.7894407 0.01243840014 . . . . . . . 122 LEU C . 52766 1 417 . 1 . 1 122 122 LEU CA C 13 53.06055848 0.0000323 . . . . . . . 122 LEU CA . 52766 1 418 . 1 . 1 122 122 LEU CB C 13 43.9511891 0.04921927717 . . . . . . . 122 LEU CB . 52766 1 419 . 1 . 1 122 122 LEU N N 15 122.3515083 0.0190510554 . . . . . . . 122 LEU N . 52766 1 420 . 1 . 1 123 123 ILE H H 1 9.005054047 0.002307380033 . . . . . . . 123 ILE H . 52766 1 421 . 1 . 1 123 123 ILE C C 13 173.6511061 0.01188671436 . . . . . . . 123 ILE C . 52766 1 422 . 1 . 1 123 123 ILE CA C 13 61.07546379 0.0921237413 . . . . . . . 123 ILE CA . 52766 1 423 . 1 . 1 123 123 ILE CB C 13 36.77704923 0.09138342181 . . . . . . . 123 ILE CB . 52766 1 424 . 1 . 1 123 123 ILE N N 15 122.7679842 0.01704384556 . . . . . . . 123 ILE N . 52766 1 425 . 1 . 1 124 124 LEU H H 1 9.394675827 0.001075161324 . . . . . . . 124 LEU H . 52766 1 426 . 1 . 1 124 124 LEU C C 13 174.2237348 0.04021734997 . . . . . . . 124 LEU C . 52766 1 427 . 1 . 1 124 124 LEU CA C 13 55.82256949 0.03945246656 . . . . . . . 124 LEU CA . 52766 1 428 . 1 . 1 124 124 LEU CB C 13 42.46574279 0.146415594 . . . . . . . 124 LEU CB . 52766 1 429 . 1 . 1 124 124 LEU N N 15 127.2501217 0.0004037163701 . . . . . . . 124 LEU N . 52766 1 430 . 1 . 1 125 125 GLU H H 1 9.045355399 0.006229013977 . . . . . . . 125 GLU H . 52766 1 431 . 1 . 1 125 125 GLU C C 13 174.9725615 . . . . . . . . 125 GLU C . 52766 1 432 . 1 . 1 125 125 GLU CA C 13 55.23172132 0.02129576 . . . . . . . 125 GLU CA . 52766 1 433 . 1 . 1 125 125 GLU CB C 13 32.48328306 . . . . . . . . 125 GLU CB . 52766 1 434 . 1 . 1 125 125 GLU N N 15 120.957994 0.0183974197 . . . . . . . 125 GLU N . 52766 1 435 . 1 . 1 128 128 PRO C C 13 176.2085 0.02549999993 . . . . . . . 128 PRO C . 52766 1 436 . 1 . 1 128 128 PRO CA C 13 63.00475 0.02351993836 . . . . . . . 128 PRO CA . 52766 1 437 . 1 . 1 128 128 PRO CB C 13 31.4775 0.0555 . . . . . . . 128 PRO CB . 52766 1 438 . 1 . 1 129 129 THR H H 1 8.242 0.0000001686 . . . . . . . 129 THR H . 52766 1 439 . 1 . 1 129 129 THR C C 13 173.043 0.01283225108 . . . . . . . 129 THR C . 52766 1 440 . 1 . 1 129 129 THR CA C 13 60.501 0.04940310381 . . . . . . . 129 THR CA . 52766 1 441 . 1 . 1 129 129 THR CB C 13 70.25766667 0.06631909394 . . . . . . . 129 THR CB . 52766 1 442 . 1 . 1 129 129 THR N N 15 114.5461667 0.03764047754 . . . . . . . 129 THR N . 52766 1 443 . 1 . 1 130 130 GLU H H 1 8.093806935 0.002217722119 . . . . . . . 130 GLU H . 52766 1 444 . 1 . 1 130 130 GLU C C 13 175.7730579 0.0100578597 . . . . . . . 130 GLU C . 52766 1 445 . 1 . 1 130 130 GLU CA C 13 55.0805012 0.05361202965 . . . . . . . 130 GLU CA . 52766 1 446 . 1 . 1 130 130 GLU CB C 13 30.85633533 0.02742582796 . . . . . . . 130 GLU CB . 52766 1 447 . 1 . 1 130 130 GLU N N 15 123.0209417 0.01786066945 . . . . . . . 130 GLU N . 52766 1 448 . 1 . 1 131 131 ALA H H 1 8.515995418 0.004358648266 . . . . . . . 131 ALA H . 52766 1 449 . 1 . 1 131 131 ALA C C 13 176.9364771 0.01592171607 . . . . . . . 131 ALA C . 52766 1 450 . 1 . 1 131 131 ALA CA C 13 52.267 0.09156054463 . . . . . . . 131 ALA CA . 52766 1 451 . 1 . 1 131 131 ALA CB C 13 18.12047057 0.009624933021 . . . . . . . 131 ALA CB . 52766 1 452 . 1 . 1 131 131 ALA N N 15 124.6361814 0.08467863701 . . . . . . . 131 ALA N . 52766 1 453 . 1 . 1 132 132 TRP H H 1 8.1015 0.002327373347 . . . . . . . 132 TRP H . 52766 1 454 . 1 . 1 132 132 TRP C C 13 175.571 . . . . . . . . 132 TRP C . 52766 1 455 . 1 . 1 132 132 TRP CA C 13 56.093 0.002999999901 . . . . . . . 132 TRP CA . 52766 1 456 . 1 . 1 132 132 TRP CB C 13 29.609 . . . . . . . . 132 TRP CB . 52766 1 457 . 1 . 1 132 132 TRP N N 15 121.1075 0.02493825723 . . . . . . . 132 TRP N . 52766 1 458 . 1 . 1 142 142 ASN C C 13 177.781 0.01599999975 . . . . . . . 142 ASN C . 52766 1 459 . 1 . 1 142 142 ASN CA C 13 55.39425 0.02170685375 . . . . . . . 142 ASN CA . 52766 1 460 . 1 . 1 142 142 ASN CB C 13 37.327 0.098 . . . . . . . 142 ASN CB . 52766 1 461 . 1 . 1 143 143 ALA H H 1 8.1075 0.002598076214 . . . . . . . 143 ALA H . 52766 1 462 . 1 . 1 143 143 ALA C C 13 179.2665 0.002500000059 . . . . . . . 143 ALA C . 52766 1 463 . 1 . 1 143 143 ALA CA C 13 54.495 0.05387330817 . . . . . . . 143 ALA CA . 52766 1 464 . 1 . 1 143 143 ALA CB C 13 17.91566667 0.07377593706 . . . . . . . 143 ALA CB . 52766 1 465 . 1 . 1 143 143 ALA N N 15 124.116 0.03316624784 . . . . . . . 143 ALA N . 52766 1 466 . 1 . 1 144 144 MET H H 1 8.535383534 0.001145339299 . . . . . . . 144 MET H . 52766 1 467 . 1 . 1 144 144 MET C C 13 179.3434126 0.04441256549 . . . . . . . 144 MET C . 52766 1 468 . 1 . 1 144 144 MET CA C 13 57.8846 0.08664317631 . . . . . . . 144 MET CA . 52766 1 469 . 1 . 1 144 144 MET CB C 13 30.859 0.065 . . . . . . . 144 MET CB . 52766 1 470 . 1 . 1 144 144 MET N N 15 116.0389682 0.0001005301205 . . . . . . . 144 MET N . 52766 1 471 . 1 . 1 145 145 SER H H 1 8.107555556 0.005794846583 . . . . . . . 145 SER H . 52766 1 472 . 1 . 1 145 145 SER C C 13 176.862 0.001000000169 . . . . . . . 145 SER C . 52766 1 473 . 1 . 1 145 145 SER CA C 13 61.14716667 0.05742652311 . . . . . . . 145 SER CA . 52766 1 474 . 1 . 1 145 145 SER CB C 13 62.35533333 0.06386096008 . . . . . . . 145 SER CB . 52766 1 475 . 1 . 1 145 145 SER N N 15 115.0141111 0.08375552312 . . . . . . . 145 SER N . 52766 1 476 . 1 . 1 146 146 ALA H H 1 7.851 0.00316227766 . . . . . . . 146 ALA H . 52766 1 477 . 1 . 1 146 146 ALA C C 13 180.1696667 0.02441766206 . . . . . . . 146 ALA C . 52766 1 478 . 1 . 1 146 146 ALA CA C 13 54.3754 0.03487463262 . . . . . . . 146 ALA CA . 52766 1 479 . 1 . 1 146 146 ALA CB C 13 17.30020092 0.05567485565 . . . . . . . 146 ALA CB . 52766 1 480 . 1 . 1 146 146 ALA N N 15 125.192 0.02529822129 . . . . . . . 146 ALA N . 52766 1 481 . 1 . 1 147 147 LEU H H 1 8.050697764 0.007877426884 . . . . . . . 147 LEU H . 52766 1 482 . 1 . 1 147 147 LEU C C 13 178.3385 0.0004999946276 . . . . . . . 147 LEU C . 52766 1 483 . 1 . 1 147 147 LEU CA C 13 57.59583112 0.04288764146 . . . . . . . 147 LEU CA . 52766 1 484 . 1 . 1 147 147 LEU CB C 13 40.53697638 0.04788361381 . . . . . . . 147 LEU CB . 52766 1 485 . 1 . 1 147 147 LEU N N 15 117.5181144 0.05949563411 . . . . . . . 147 LEU N . 52766 1 486 . 1 . 1 148 148 GLU H H 1 7.924757034 0.00277708444 . . . . . . . 148 GLU H . 52766 1 487 . 1 . 1 148 148 GLU C C 13 179.1116667 0.03954182031 . . . . . . . 148 GLU C . 52766 1 488 . 1 . 1 148 148 GLU CA C 13 58.6471376 0.01654636382 . . . . . . . 148 GLU CA . 52766 1 489 . 1 . 1 148 148 GLU CB C 13 28.89085319 0.09476549073 . . . . . . . 148 GLU CB . 52766 1 490 . 1 . 1 148 148 GLU N N 15 116.4946134 0.05907187277 . . . . . . . 148 GLU N . 52766 1 491 . 1 . 1 149 149 SER H H 1 7.860420904 0.003709884771 . . . . . . . 149 SER H . 52766 1 492 . 1 . 1 149 149 SER C C 13 174.3443333 0.004496912473 . . . . . . . 149 SER C . 52766 1 493 . 1 . 1 149 149 SER CA C 13 58.773 0.06303015151 . . . . . . . 149 SER CA . 52766 1 494 . 1 . 1 149 149 SER CB C 13 63.46066667 0.03483612429 . . . . . . . 149 SER CB . 52766 1 495 . 1 . 1 149 149 SER N N 15 111.7891323 0.04771495164 . . . . . . . 149 SER N . 52766 1 496 . 1 . 1 150 150 ALA H H 1 7.330272727 0.002092884442 . . . . . . . 150 ALA H . 52766 1 497 . 1 . 1 150 150 ALA C C 13 178.537 . . . . . . . . 150 ALA C . 52766 1 498 . 1 . 1 150 150 ALA CA C 13 50.041 0.01100000002 . . . . . . . 150 ALA CA . 52766 1 499 . 1 . 1 150 150 ALA CB C 13 16.799 . . . . . . . . 150 ALA CB . 52766 1 500 . 1 . 1 150 150 ALA N N 15 127.3791818 0.02338926785 . . . . . . . 150 ALA N . 52766 1 501 . 1 . 1 151 151 PRO C C 13 176.4255891 . . . . . . . . 151 PRO C . 52766 1 502 . 1 . 1 151 151 PRO CA C 13 64.2873522 0.02110472628 . . . . . . . 151 PRO CA . 52766 1 503 . 1 . 1 151 151 PRO CB C 13 32.21903269 0.01152917498 . . . . . . . 151 PRO CB . 52766 1 504 . 1 . 1 152 152 ASN H H 1 7.317300338 0.003746687255 . . . . . . . 152 ASN H . 52766 1 505 . 1 . 1 152 152 ASN C C 13 174.8947092 0.0002908503416 . . . . . . . 152 ASN C . 52766 1 506 . 1 . 1 152 152 ASN CA C 13 51.72232373 0.05977946833 . . . . . . . 152 ASN CA . 52766 1 507 . 1 . 1 152 152 ASN CB C 13 40.32158752 0.07037743787 . . . . . . . 152 ASN CB . 52766 1 508 . 1 . 1 152 152 ASN N N 15 111.336114 0.07982921456 . . . . . . . 152 ASN N . 52766 1 509 . 1 . 1 153 153 LEU H H 1 10.02662763 0.006514349785 . . . . . . . 153 LEU H . 52766 1 510 . 1 . 1 153 153 LEU C C 13 178.1572704 0.02577861477 . . . . . . . 153 LEU C . 52766 1 511 . 1 . 1 153 153 LEU CA C 13 57.90692337 0.01171314047 . . . . . . . 153 LEU CA . 52766 1 512 . 1 . 1 153 153 LEU CB C 13 41.03746255 0.03941367502 . . . . . . . 153 LEU CB . 52766 1 513 . 1 . 1 153 153 LEU N N 15 122.3407784 0.03944383018 . . . . . . . 153 LEU N . 52766 1 514 . 1 . 1 154 154 ARG H H 1 8.706535196 0.002955520362 . . . . . . . 154 ARG H . 52766 1 515 . 1 . 1 154 154 ARG C C 13 178.6456587 0.02333977336 . . . . . . . 154 ARG C . 52766 1 516 . 1 . 1 154 154 ARG CA C 13 59.66558819 0.02195438141 . . . . . . . 154 ARG CA . 52766 1 517 . 1 . 1 154 154 ARG CB C 13 28.31188708 0.038606485 . . . . . . . 154 ARG CB . 52766 1 518 . 1 . 1 154 154 ARG N N 15 120.5510824 0.000058 . . . . . . . 154 ARG N . 52766 1 519 . 1 . 1 155 155 ALA H H 1 8.685611087 0.003608571916 . . . . . . . 155 ALA H . 52766 1 520 . 1 . 1 155 155 ALA C C 13 180.0894722 . . . . . . . . 155 ALA C . 52766 1 521 . 1 . 1 155 155 ALA CA C 13 54.22191288 0.003567229967 . . . . . . . 155 ALA CA . 52766 1 522 . 1 . 1 155 155 ALA CB C 13 17.96615339 . . . . . . . . 155 ALA CB . 52766 1 523 . 1 . 1 155 155 ALA N N 15 121.0852385 0.03764258662 . . . . . . . 155 ALA N . 52766 1 524 . 1 . 1 157 157 ALA C C 13 179.3238868 . . . . . . . . 157 ALA C . 52766 1 525 . 1 . 1 157 157 ALA CA C 13 54.92078792 0.05248686985 . . . . . . . 157 ALA CA . 52766 1 526 . 1 . 1 158 158 GLU H H 1 8.339133375 0.03009798716 . . . . . . . 158 GLU H . 52766 1 527 . 1 . 1 158 158 GLU C C 13 179.105069 0.000068955 . . . . . . . 158 GLU C . 52766 1 528 . 1 . 1 158 158 GLU CA C 13 59.64586198 0.01812879162 . . . . . . . 158 GLU CA . 52766 1 529 . 1 . 1 158 158 GLU CB C 13 28.8735 0.0935 . . . . . . . 158 GLU CB . 52766 1 530 . 1 . 1 158 158 GLU N N 15 119.8351145 0.1894287176 . . . . . . . 158 GLU N . 52766 1 531 . 1 . 1 159 159 VAL H H 1 8.617583162 0.004184042839 . . . . . . . 159 VAL H . 52766 1 532 . 1 . 1 159 159 VAL C C 13 180.0205 0.01350000006 . . . . . . . 159 VAL C . 52766 1 533 . 1 . 1 159 159 VAL CA C 13 65.35573424 0.0209814649 . . . . . . . 159 VAL CA . 52766 1 534 . 1 . 1 159 159 VAL CB C 13 31.0335 0.0205 . . . . . . . 159 VAL CB . 52766 1 535 . 1 . 1 159 159 VAL N N 15 119.8871 0.04023046114 . . . . . . . 159 VAL N . 52766 1 536 . 1 . 1 160 160 ALA H H 1 9.199491407 0.004455272261 . . . . . . . 160 ALA H . 52766 1 537 . 1 . 1 160 160 ALA C C 13 179.217 0.002000002158 . . . . . . . 160 ALA C . 52766 1 538 . 1 . 1 160 160 ALA CA C 13 55.93210477 0.04914065003 . . . . . . . 160 ALA CA . 52766 1 539 . 1 . 1 160 160 ALA CB C 13 17.616 . . . . . . . . 160 ALA CB . 52766 1 540 . 1 . 1 160 160 ALA N N 15 125.210969 0.02884455817 . . . . . . . 160 ALA N . 52766 1 541 . 1 . 1 161 161 THR H H 1 8.023 0.002000000001 . . . . . . . 161 THR H . 52766 1 542 . 1 . 1 161 161 THR C C 13 176.863 . . . . . . . . 161 THR C . 52766 1 543 . 1 . 1 161 161 THR CA C 13 65.2054 0.08702321528 . . . . . . . 161 THR CA . 52766 1 544 . 1 . 1 161 161 THR CB C 13 67.97733333 0.0624944442 . . . . . . . 161 THR CB . 52766 1 545 . 1 . 1 161 161 THR N N 15 106.8778 0.0003999978849 . . . . . . . 161 THR N . 52766 1 546 . 1 . 1 162 162 GLN H H 1 8.032903964 0.004032263086 . . . . . . . 162 GLN H . 52766 1 547 . 1 . 1 162 162 GLN C C 13 178.7655 0.01049999996 . . . . . . . 162 GLN C . 52766 1 548 . 1 . 1 162 162 GLN CA C 13 58.93961046 0.03366233028 . . . . . . . 162 GLN CA . 52766 1 549 . 1 . 1 162 162 GLN CB C 13 27.356 . . . . . . . . 162 GLN CB . 52766 1 550 . 1 . 1 162 162 GLN N N 15 122.5908 0.02483867948 . . . . . . . 162 GLN N . 52766 1 551 . 1 . 1 163 163 THR H H 1 8.744053925 0.0001205793567 . . . . . . . 163 THR H . 52766 1 552 . 1 . 1 163 163 THR C C 13 176.562 . . . . . . . . 163 THR C . 52766 1 553 . 1 . 1 163 163 THR CA C 13 66.53966667 0.02174600855 . . . . . . . 163 THR CA . 52766 1 554 . 1 . 1 163 163 THR CB C 13 68.27266667 0.113678885 . . . . . . . 163 THR CB . 52766 1 555 . 1 . 1 163 163 THR N N 15 116.7228333 0.0003726756189 . . . . . . . 163 THR N . 52766 1 556 . 1 . 1 164 164 VAL H H 1 8.2685 0.003082207002 . . . . . . . 164 VAL H . 52766 1 557 . 1 . 1 164 164 VAL C C 13 179.5585 0.0165000002 . . . . . . . 164 VAL C . 52766 1 558 . 1 . 1 164 164 VAL CA C 13 67.0725 0.02942079762 . . . . . . . 164 VAL CA . 52766 1 559 . 1 . 1 164 164 VAL CB C 13 30.421 0.04907137658 . . . . . . . 164 VAL CB . 52766 1 560 . 1 . 1 164 164 VAL N N 15 120.242125 0.05259856819 . . . . . . . 164 VAL N . 52766 1 561 . 1 . 1 165 165 ARG H H 1 8.624 0.005099019513 . . . . . . . 165 ARG H . 52766 1 562 . 1 . 1 165 165 ARG C C 13 177.9622873 0.002287287995 . . . . . . . 165 ARG C . 52766 1 563 . 1 . 1 165 165 ARG CA C 13 61.67689805 0.02550276557 . . . . . . . 165 ARG CA . 52766 1 564 . 1 . 1 165 165 ARG N N 15 124.5004 0.04156970056 . . . . . . . 165 ARG N . 52766 1 565 . 1 . 1 166 166 GLU H H 1 8.556979557 0.001911766364 . . . . . . . 166 GLU H . 52766 1 566 . 1 . 1 166 166 GLU C C 13 179.0675 0.03750000002 . . . . . . . 166 GLU C . 52766 1 567 . 1 . 1 166 166 GLU CA C 13 59.28483284 0.05379788089 . . . . . . . 166 GLU CA . 52766 1 568 . 1 . 1 166 166 GLU CB C 13 28.65433333 0.04515405728 . . . . . . . 166 GLU CB . 52766 1 569 . 1 . 1 166 166 GLU N N 15 121.508 0.000002336 . . . . . . . 166 GLU N . 52766 1 570 . 1 . 1 167 167 LEU H H 1 8.161573756 0.006678515316 . . . . . . . 167 LEU H . 52766 1 571 . 1 . 1 167 167 LEU C C 13 178.066534 . . . . . . . . 167 LEU C . 52766 1 572 . 1 . 1 167 167 LEU CA C 13 56.92513901 0.003790435648 . . . . . . . 167 LEU CA . 52766 1 573 . 1 . 1 167 167 LEU CB C 13 42.976 . . . . . . . . 167 LEU CB . 52766 1 574 . 1 . 1 167 167 LEU N N 15 116.1867134 0.04213737839 . . . . . . . 167 LEU N . 52766 1 575 . 1 . 1 168 168 THR H H 1 7.81799069 0.001995181926 . . . . . . . 168 THR H . 52766 1 576 . 1 . 1 168 168 THR CA C 13 62.38312576 0.005218080026 . . . . . . . 168 THR CA . 52766 1 577 . 1 . 1 168 168 THR CB C 13 71.20417863 . . . . . . . . 168 THR CB . 52766 1 578 . 1 . 1 168 168 THR N N 15 102.8844529 0.01918418267 . . . . . . . 168 THR N . 52766 1 579 . 1 . 1 172 172 ARG C C 13 174.6513327 . . . . . . . . 172 ARG C . 52766 1 580 . 1 . 1 172 172 ARG CA C 13 55.26397685 0.00452469395 . . . . . . . 172 ARG CA . 52766 1 581 . 1 . 1 172 172 ARG CB C 13 34.39729965 . . . . . . . . 172 ARG CB . 52766 1 582 . 1 . 1 173 173 VAL H H 1 9.405224727 0.002215920291 . . . . . . . 173 VAL H . 52766 1 583 . 1 . 1 173 173 VAL C C 13 174.5192805 0.007393169447 . . . . . . . 173 VAL C . 52766 1 584 . 1 . 1 173 173 VAL CA C 13 61.06717071 0.00440445498 . . . . . . . 173 VAL CA . 52766 1 585 . 1 . 1 173 173 VAL CB C 13 33.94735821 . . . . . . . . 173 VAL CB . 52766 1 586 . 1 . 1 173 173 VAL N N 15 126.95466 0.03133987845 . . . . . . . 173 VAL N . 52766 1 587 . 1 . 1 174 174 MET H H 1 9.698960054 0.005168453031 . . . . . . . 174 MET H . 52766 1 588 . 1 . 1 174 174 MET CA C 13 53.89270664 0.01288791999 . . . . . . . 174 MET CA . 52766 1 589 . 1 . 1 174 174 MET CB C 13 37.77429918 . . . . . . . . 174 MET CB . 52766 1 590 . 1 . 1 174 174 MET N N 15 125.5011025 0.01443077905 . . . . . . . 174 MET N . 52766 1 591 . 1 . 1 188 188 ALA C C 13 174.812 . . . . . . . . 188 ALA C . 52766 1 592 . 1 . 1 188 188 ALA CA C 13 51.71876243 0.07287362652 . . . . . . . 188 ALA CA . 52766 1 593 . 1 . 1 188 188 ALA CB C 13 23.15832354 0.073129155 . . . . . . . 188 ALA CB . 52766 1 594 . 1 . 1 189 189 GLU H H 1 9.159744219 0.0002088445028 . . . . . . . 189 GLU H . 52766 1 595 . 1 . 1 189 189 GLU C C 13 173.254 . . . . . . . . 189 GLU C . 52766 1 596 . 1 . 1 189 189 GLU CA C 13 55.39344465 0.03598805377 . . . . . . . 189 GLU CA . 52766 1 597 . 1 . 1 189 189 GLU CB C 13 33.61579275 0 . . . . . . . 189 GLU CB . 52766 1 598 . 1 . 1 189 189 GLU N N 15 119.3202696 0.0002201562891 . . . . . . . 189 GLU N . 52766 1 599 . 1 . 1 190 190 ALA H H 1 9.505112135 0.002341576878 . . . . . . . 190 ALA H . 52766 1 600 . 1 . 1 190 190 ALA C C 13 175.1875 0.007499999936 . . . . . . . 190 ALA C . 52766 1 601 . 1 . 1 190 190 ALA CA C 13 50.54116667 0.08726094328 . . . . . . . 190 ALA CA . 52766 1 602 . 1 . 1 190 190 ALA CB C 13 20.30319098 0.004377683934 . . . . . . . 190 ALA CB . 52766 1 603 . 1 . 1 190 190 ALA N N 15 128.0577809 0.04087301844 . . . . . . . 190 ALA N . 52766 1 604 . 1 . 1 191 191 ARG H H 1 8.947793394 0.001970379652 . . . . . . . 191 ARG H . 52766 1 605 . 1 . 1 191 191 ARG C C 13 174.193 0.01489966438 . . . . . . . 191 ARG C . 52766 1 606 . 1 . 1 191 191 ARG CA C 13 53.0664599 0.04517744431 . . . . . . . 191 ARG CA . 52766 1 607 . 1 . 1 191 191 ARG CB C 13 32.98200674 0.06894682854 . . . . . . . 191 ARG CB . 52766 1 608 . 1 . 1 191 191 ARG N N 15 119.5939816 0.0000299 . . . . . . . 191 ARG N . 52766 1 609 . 1 . 1 192 192 ARG H H 1 8.547742363 0.0001487466364 . . . . . . . 192 ARG H . 52766 1 610 . 1 . 1 192 192 ARG C C 13 175.277211 . . . . . . . . 192 ARG C . 52766 1 611 . 1 . 1 192 192 ARG CA C 13 56.15015498 0.01058235998 . . . . . . . 192 ARG CA . 52766 1 612 . 1 . 1 192 192 ARG CB C 13 30.299 . . . . . . . . 192 ARG CB . 52766 1 613 . 1 . 1 192 192 ARG N N 15 122.5907903 0.03777489541 . . . . . . . 192 ARG N . 52766 1 614 . 1 . 1 211 211 GLN CA C 13 57.23 . . . . . . . . 211 GLN CA . 52766 1 615 . 1 . 1 212 212 ALA H H 1 7.365 . . . . . . . . 212 ALA H . 52766 1 616 . 1 . 1 212 212 ALA N N 15 127.307 . . . . . . . . 212 ALA N . 52766 1 617 . 1 . 1 214 214 ALA C C 13 181.4990189 . . . . . . . . 214 ALA C . 52766 1 618 . 1 . 1 214 214 ALA CA C 13 54.81711001 0.02018850643 . . . . . . . 214 ALA CA . 52766 1 619 . 1 . 1 215 215 LEU H H 1 7.596544559 0.003568800006 . . . . . . . 215 LEU H . 52766 1 620 . 1 . 1 215 215 LEU CA C 13 58.25168595 0.04968595 . . . . . . . 215 LEU CA . 52766 1 621 . 1 . 1 215 215 LEU CB C 13 40.459 . . . . . . . . 215 LEU CB . 52766 1 622 . 1 . 1 215 215 LEU N N 15 123.7448377 0.03595208881 . . . . . . . 215 LEU N . 52766 1 623 . 1 . 1 217 217 THR C C 13 174.057 . . . . . . . . 217 THR C . 52766 1 624 . 1 . 1 218 218 ARG H H 1 7.256960707 0.0195944529 . . . . . . . 218 ARG H . 52766 1 625 . 1 . 1 218 218 ARG C C 13 175.0125575 0.09055750082 . . . . . . . 218 ARG C . 52766 1 626 . 1 . 1 218 218 ARG CA C 13 56.63449073 0.3018204232 . . . . . . . 218 ARG CA . 52766 1 627 . 1 . 1 218 218 ARG CB C 13 31.603 . . . . . . . . 218 ARG CB . 52766 1 628 . 1 . 1 218 218 ARG N N 15 119.7726966 0.1378370299 . . . . . . . 218 ARG N . 52766 1 629 . 1 . 1 219 219 HIS H H 1 7.993252739 0.003725222599 . . . . . . . 219 HIS H . 52766 1 630 . 1 . 1 219 219 HIS C C 13 177.0996667 0.006599663857 . . . . . . . 219 HIS C . 52766 1 631 . 1 . 1 219 219 HIS CA C 13 55.06769822 0.06047682926 . . . . . . . 219 HIS CA . 52766 1 632 . 1 . 1 219 219 HIS CB C 13 30.36033333 0.08134835927 . . . . . . . 219 HIS CB . 52766 1 633 . 1 . 1 219 219 HIS N N 15 119.5954359 0.02247901784 . . . . . . . 219 HIS N . 52766 1 634 . 1 . 1 220 220 LEU H H 1 8.655380524 0.001546236403 . . . . . . . 220 LEU H . 52766 1 635 . 1 . 1 220 220 LEU C C 13 175.09 0.003999999768 . . . . . . . 220 LEU C . 52766 1 636 . 1 . 1 220 220 LEU CA C 13 57.7536 0.02767381434 . . . . . . . 220 LEU CA . 52766 1 637 . 1 . 1 220 220 LEU CB C 13 41.213 0.115 . . . . . . . 220 LEU CB . 52766 1 638 . 1 . 1 220 220 LEU N N 15 122.3287273 0.002299837766 . . . . . . . 220 LEU N . 52766 1 639 . 1 . 1 221 221 LEU H H 1 8.105888889 0.001662958839 . . . . . . . 221 LEU H . 52766 1 640 . 1 . 1 221 221 LEU C C 13 174.782 0.01800000012 . . . . . . . 221 LEU C . 52766 1 641 . 1 . 1 221 221 LEU CA C 13 54.81070827 0.04273423801 . . . . . . . 221 LEU CA . 52766 1 642 . 1 . 1 221 221 LEU CB C 13 44.773 0.007000000032 . . . . . . . 221 LEU CB . 52766 1 643 . 1 . 1 221 221 LEU N N 15 121.9333333 0.04301679262 . . . . . . . 221 LEU N . 52766 1 644 . 1 . 1 222 222 ARG H H 1 8.428705291 0.001447177292 . . . . . . . 222 ARG H . 52766 1 645 . 1 . 1 222 222 ARG CA C 13 55.42913159 0.01813158968 . . . . . . . 222 ARG CA . 52766 1 646 . 1 . 1 222 222 ARG CB C 13 27.303 . . . . . . . . 222 ARG CB . 52766 1 647 . 1 . 1 222 222 ARG N N 15 121.781 0.00000301578 . . . . . . . 222 ARG N . 52766 1 648 . 1 . 1 224 224 THR C C 13 174.266 . . . . . . . . 224 THR C . 52766 1 649 . 1 . 1 224 224 THR CA C 13 62.46249967 . . . . . . . . 224 THR CA . 52766 1 650 . 1 . 1 225 225 ALA H H 1 8.223900552 0.03900642402 . . . . . . . 225 ALA H . 52766 1 651 . 1 . 1 225 225 ALA C C 13 176.768 0.03200000002 . . . . . . . 225 ALA C . 52766 1 652 . 1 . 1 225 225 ALA CA C 13 54.7674 0.07295094242 . . . . . . . 225 ALA CA . 52766 1 653 . 1 . 1 225 225 ALA CB C 13 18.82048084 0.16948084 . . . . . . . 225 ALA CB . 52766 1 654 . 1 . 1 225 225 ALA N N 15 129.1748273 0.4939850731 . . . . . . . 225 ALA N . 52766 1 655 . 1 . 1 226 226 ASP H H 1 7.826613767 0.2616043039 . . . . . . . 226 ASP H . 52766 1 656 . 1 . 1 226 226 ASP C C 13 178.5793123 0.02131232094 . . . . . . . 226 ASP C . 52766 1 657 . 1 . 1 226 226 ASP CA C 13 52.73276516 0.1453704112 . . . . . . . 226 ASP CA . 52766 1 658 . 1 . 1 226 226 ASP CB C 13 41.93760102 0.1276539973 . . . . . . . 226 ASP CB . 52766 1 659 . 1 . 1 226 226 ASP N N 15 113.2885 0.6828389268 . . . . . . . 226 ASP N . 52766 1 660 . 1 . 1 227 227 THR H H 1 8.6759657 0.001850395531 . . . . . . . 227 THR H . 52766 1 661 . 1 . 1 227 227 THR C C 13 174.2016061 0.03660614245 . . . . . . . 227 THR C . 52766 1 662 . 1 . 1 227 227 THR CA C 13 62.63098454 0.1246203504 . . . . . . . 227 THR CA . 52766 1 663 . 1 . 1 227 227 THR CB C 13 67.98874996 0.1166695116 . . . . . . . 227 THR CB . 52766 1 664 . 1 . 1 227 227 THR N N 15 116.8726943 0.04104949227 . . . . . . . 227 THR N . 52766 1 665 . 1 . 1 228 228 ARG H H 1 8.839812036 0.009710324412 . . . . . . . 228 ARG H . 52766 1 666 . 1 . 1 228 228 ARG C C 13 176.347 0.01818424254 . . . . . . . 228 ARG C . 52766 1 667 . 1 . 1 228 228 ARG CA C 13 55.39820453 0.07925986832 . . . . . . . 228 ARG CA . 52766 1 668 . 1 . 1 228 228 ARG CB C 13 29.88203828 0.0689617189 . . . . . . . 228 ARG CB . 52766 1 669 . 1 . 1 228 228 ARG N N 15 119.7437149 0.1107790868 . . . . . . . 228 ARG N . 52766 1 670 . 1 . 1 229 229 ALA H H 1 7.1324 0.003583294574 . . . . . . . 229 ALA H . 52766 1 671 . 1 . 1 229 229 ALA C C 13 177.337518 0.03739709558 . . . . . . . 229 ALA C . 52766 1 672 . 1 . 1 229 229 ALA CA C 13 51.65668635 0.08824508542 . . . . . . . 229 ALA CA . 52766 1 673 . 1 . 1 229 229 ALA CB C 13 19.25775982 0.06168822612 . . . . . . . 229 ALA CB . 52766 1 674 . 1 . 1 229 229 ALA N N 15 123.6943 0.006542935901 . . . . . . . 229 ALA N . 52766 1 675 . 1 . 1 230 230 ALA H H 1 8.486775824 0.003265706834 . . . . . . . 230 ALA H . 52766 1 676 . 1 . 1 230 230 ALA C C 13 176.7776607 0.02262281545 . . . . . . . 230 ALA C . 52766 1 677 . 1 . 1 230 230 ALA CA C 13 51.16922896 0.009421590752 . . . . . . . 230 ALA CA . 52766 1 678 . 1 . 1 230 230 ALA CB C 13 18.51706221 0.02743910945 . . . . . . . 230 ALA CB . 52766 1 679 . 1 . 1 230 230 ALA N N 15 126.5672712 0.0003885611387 . . . . . . . 230 ALA N . 52766 1 680 . 1 . 1 231 231 ALA H H 1 8.234560527 0.002687489663 . . . . . . . 231 ALA H . 52766 1 681 . 1 . 1 231 231 ALA C C 13 177.9064141 0.1051650691 . . . . . . . 231 ALA C . 52766 1 682 . 1 . 1 231 231 ALA CA C 13 51.52129779 0.03639337933 . . . . . . . 231 ALA CA . 52766 1 683 . 1 . 1 231 231 ALA CB C 13 19.53024131 0.09774831744 . . . . . . . 231 ALA CB . 52766 1 684 . 1 . 1 231 231 ALA N N 15 123.7419829 0.1497676042 . . . . . . . 231 ALA N . 52766 1 685 . 1 . 1 232 232 VAL H H 1 9.58089913 0.09788701123 . . . . . . . 232 VAL H . 52766 1 686 . 1 . 1 232 232 VAL C C 13 174.4002048 . . . . . . . . 232 VAL C . 52766 1 687 . 1 . 1 232 232 VAL CA C 13 58.39849488 . . . . . . . . 232 VAL CA . 52766 1 688 . 1 . 1 232 232 VAL N N 15 122.3562222 0.2772983863 . . . . . . . 232 VAL N . 52766 1 689 . 1 . 1 236 236 PRO C C 13 176.821 0.01299999996 . . . . . . . 236 PRO C . 52766 1 690 . 1 . 1 236 236 PRO CA C 13 63.41775 0.0817385313 . . . . . . . 236 PRO CA . 52766 1 691 . 1 . 1 236 236 PRO CB C 13 33.37902849 0.01797151479 . . . . . . . 236 PRO CB . 52766 1 692 . 1 . 1 237 237 VAL H H 1 8.592457925 0.008077980822 . . . . . . . 237 VAL H . 52766 1 693 . 1 . 1 237 237 VAL C C 13 175.7499069 0.01909306208 . . . . . . . 237 VAL C . 52766 1 694 . 1 . 1 237 237 VAL CA C 13 64.91745579 0.01178869677 . . . . . . . 237 VAL CA . 52766 1 695 . 1 . 1 237 237 VAL CB C 13 31.23026901 0.02674682275 . . . . . . . 237 VAL CB . 52766 1 696 . 1 . 1 237 237 VAL N N 15 121.3712976 0.0004343355742 . . . . . . . 237 VAL N . 52766 1 697 . 1 . 1 238 238 LEU H H 1 7.585892041 0.000086 . . . . . . . 238 LEU H . 52766 1 698 . 1 . 1 238 238 LEU C C 13 176.5717253 0.01238474235 . . . . . . . 238 LEU C . 52766 1 699 . 1 . 1 238 238 LEU CA C 13 52.30304722 0.02158891617 . . . . . . . 238 LEU CA . 52766 1 700 . 1 . 1 238 238 LEU CB C 13 40.24203294 0.006852000722 . . . . . . . 238 LEU CB . 52766 1 701 . 1 . 1 238 238 LEU N N 15 119.3081686 0.007788394526 . . . . . . . 238 LEU N . 52766 1 702 . 1 . 1 239 239 ASN H H 1 8.208362108 0.003383259805 . . . . . . . 239 ASN H . 52766 1 703 . 1 . 1 239 239 ASN C C 13 175.7793589 . . . . . . . . 239 ASN C . 52766 1 704 . 1 . 1 239 239 ASN CA C 13 50.44553285 . . . . . . . . 239 ASN CA . 52766 1 705 . 1 . 1 239 239 ASN CB C 13 38.17961576 . . . . . . . . 239 ASN CB . 52766 1 706 . 1 . 1 239 239 ASN N N 15 121.8114783 0.000066689 . . . . . . . 239 ASN N . 52766 1 707 . 1 . 1 240 240 PRO C C 13 178.036 0.002000000339 . . . . . . . 240 PRO C . 52766 1 708 . 1 . 1 240 240 PRO CA C 13 63.8115 0.06389640053 . . . . . . . 240 PRO CA . 52766 1 709 . 1 . 1 240 240 PRO CB C 13 31.568 . . . . . . . . 240 PRO CB . 52766 1 710 . 1 . 1 241 241 GLN H H 1 8.090460192 0.004026069983 . . . . . . . 241 GLN H . 52766 1 711 . 1 . 1 241 241 GLN C C 13 178.3348205 0.004179517052 . . . . . . . 241 GLN C . 52766 1 712 . 1 . 1 241 241 GLN CA C 13 57.8978 0.07662219 . . . . . . . 241 GLN CA . 52766 1 713 . 1 . 1 241 241 GLN CB C 13 29.79 0.1229878043 . . . . . . . 241 GLN CB . 52766 1 714 . 1 . 1 241 241 GLN N N 15 114.1246364 0.000481041493 . . . . . . . 241 GLN N . 52766 1 715 . 1 . 1 242 242 THR H H 1 7.06314787 0.005261560032 . . . . . . . 242 THR H . 52766 1 716 . 1 . 1 242 242 THR C C 13 175.9236667 0.01536952239 . . . . . . . 242 THR C . 52766 1 717 . 1 . 1 242 242 THR CA C 13 59.93604619 0.04078064117 . . . . . . . 242 THR CA . 52766 1 718 . 1 . 1 242 242 THR CB C 13 70.66789804 0.06894682891 . . . . . . . 242 THR CB . 52766 1 719 . 1 . 1 242 242 THR N N 15 103.3262684 0.007608591328 . . . . . . . 242 THR N . 52766 1 720 . 1 . 1 243 243 ASN H H 1 9.086464319 0.002667567811 . . . . . . . 243 ASN H . 52766 1 721 . 1 . 1 243 243 ASN C C 13 173.0056667 0.04665714179 . . . . . . . 243 ASN C . 52766 1 722 . 1 . 1 243 243 ASN CA C 13 54.37241381 0.04771848433 . . . . . . . 243 ASN CA . 52766 1 723 . 1 . 1 243 243 ASN CB C 13 37.46896078 0.05859568741 . . . . . . . 243 ASN CB . 52766 1 724 . 1 . 1 243 243 ASN N N 15 120.279937 0.007728647268 . . . . . . . 243 ASN N . 52766 1 725 . 1 . 1 244 244 ALA H H 1 7.959 0.003559026088 . . . . . . . 244 ALA H . 52766 1 726 . 1 . 1 244 244 ALA C C 13 174.286 . . . . . . . . 244 ALA C . 52766 1 727 . 1 . 1 244 244 ALA CA C 13 49.603 0.005999999955 . . . . . . . 244 ALA CA . 52766 1 728 . 1 . 1 244 244 ALA CB C 13 18.699 . . . . . . . . 244 ALA CB . 52766 1 729 . 1 . 1 244 244 ALA N N 15 119.7136667 0.02550925758 . . . . . . . 244 ALA N . 52766 1 730 . 1 . 1 250 250 GLY C C 13 173.6035473 . . . . . . . . 250 GLY C . 52766 1 731 . 1 . 1 250 250 GLY CA C 13 43.11325 0.1063188013 . . . . . . . 250 GLY CA . 52766 1 732 . 1 . 1 251 251 ALA H H 1 7.703637863 0.003395230983 . . . . . . . 251 ALA H . 52766 1 733 . 1 . 1 251 251 ALA C C 13 178.8412047 0.0452047117 . . . . . . . 251 ALA C . 52766 1 734 . 1 . 1 251 251 ALA CA C 13 54.3553354 5.635992051 . . . . . . . 251 ALA CA . 52766 1 735 . 1 . 1 251 251 ALA CB C 13 17.83517338 0.04217337704 . . . . . . . 251 ALA CB . 52766 1 736 . 1 . 1 251 251 ALA N N 15 124.6530411 0.0001161213523 . . . . . . . 251 ALA N . 52766 1 737 . 1 . 1 252 252 VAL H H 1 11.85774974 0.002665671067 . . . . . . . 252 VAL H . 52766 1 738 . 1 . 1 252 252 VAL CA C 13 64.75264179 . . . . . . . . 252 VAL CA . 52766 1 739 . 1 . 1 252 252 VAL N N 15 135.397 0 . . . . . . . 252 VAL N . 52766 1 740 . 1 . 1 253 253 LEU C C 13 177.555 0.04799999998 . . . . . . . 253 LEU C . 52766 1 741 . 1 . 1 253 253 LEU CA C 13 53.3833216 . . . . . . . . 253 LEU CA . 52766 1 742 . 1 . 1 254 254 ARG H H 1 7.326267159 0.003923865073 . . . . . . . 254 ARG H . 52766 1 743 . 1 . 1 254 254 ARG C C 13 177.248 0.01500000023 . . . . . . . 254 ARG C . 52766 1 744 . 1 . 1 254 254 ARG CA C 13 58.45025412 0.02104381575 . . . . . . . 254 ARG CA . 52766 1 745 . 1 . 1 254 254 ARG CB C 13 29.07025973 0.006547616848 . . . . . . . 254 ARG CB . 52766 1 746 . 1 . 1 254 254 ARG N N 15 118.8228941 0.049972833 . . . . . . . 254 ARG N . 52766 1 747 . 1 . 1 255 255 ALA H H 1 7.633211915 0.001924653746 . . . . . . . 255 ALA H . 52766 1 748 . 1 . 1 255 255 ALA C C 13 176.5405 0.002500000059 . . . . . . . 255 ALA C . 52766 1 749 . 1 . 1 255 255 ALA CA C 13 53.722 0.05452216675 . . . . . . . 255 ALA CA . 52766 1 750 . 1 . 1 255 255 ALA CB C 13 19.0034292 0.001533126958 . . . . . . . 255 ALA CB . 52766 1 751 . 1 . 1 255 255 ALA N N 15 130.9535 0.02248888603 . . . . . . . 255 ALA N . 52766 1 752 . 1 . 1 256 256 THR H H 1 8.837424851 0.009520597264 . . . . . . . 256 THR H . 52766 1 753 . 1 . 1 256 256 THR C C 13 172.787 0.03400000008 . . . . . . . 256 THR C . 52766 1 754 . 1 . 1 256 256 THR CA C 13 62.40083062 0.007897947718 . . . . . . . 256 THR CA . 52766 1 755 . 1 . 1 256 256 THR CB C 13 68.15136399 0.003062612185 . . . . . . . 256 THR CB . 52766 1 756 . 1 . 1 256 256 THR N N 15 122.384125 0.2376938354 . . . . . . . 256 THR N . 52766 1 757 . 1 . 1 257 257 SER H H 1 9.39530294 0.001985075499 . . . . . . . 257 SER H . 52766 1 758 . 1 . 1 257 257 SER CA C 13 55.597 . . . . . . . . 257 SER CA . 52766 1 759 . 1 . 1 257 257 SER CB C 13 65.4587949 . . . . . . . . 257 SER CB . 52766 1 760 . 1 . 1 257 257 SER N N 15 123.081 0.000001907 . . . . . . . 257 SER N . 52766 1 761 . 1 . 1 277 277 VAL C C 13 174.4931557 0.01053685004 . . . . . . . 277 VAL C . 52766 1 762 . 1 . 1 277 277 VAL CA C 13 61.50403408 0.05202426457 . . . . . . . 277 VAL CA . 52766 1 763 . 1 . 1 277 277 VAL CB C 13 30.68545372 0.025831135 . . . . . . . 277 VAL CB . 52766 1 764 . 1 . 1 278 278 VAL H H 1 8.438798976 0.002134953786 . . . . . . . 278 VAL H . 52766 1 765 . 1 . 1 278 278 VAL C C 13 175.566 . . . . . . . . 278 VAL C . 52766 1 766 . 1 . 1 278 278 VAL CB C 13 32.45514861 . . . . . . . . 278 VAL CB . 52766 1 767 . 1 . 1 278 278 VAL N N 15 129.491563 0.03033569207 . . . . . . . 278 VAL N . 52766 1 768 . 1 . 1 284 284 TRP C C 13 177.68 . . . . . . . . 284 TRP C . 52766 1 769 . 1 . 1 285 285 GLY H H 1 8.72 0 . . . . . . . 285 GLY H . 52766 1 770 . 1 . 1 285 285 GLY C C 13 171.1697655 0.007234462734 . . . . . . . 285 GLY C . 52766 1 771 . 1 . 1 285 285 GLY CA C 13 46.00462459 0.04324181809 . . . . . . . 285 GLY CA . 52766 1 772 . 1 . 1 285 285 GLY N N 15 103.87 0 . . . . . . . 285 GLY N . 52766 1 773 . 1 . 1 286 286 LEU H H 1 8.264022914 0.005944967073 . . . . . . . 286 LEU H . 52766 1 774 . 1 . 1 286 286 LEU C C 13 175.3318956 . . . . . . . . 286 LEU C . 52766 1 775 . 1 . 1 286 286 LEU CA C 13 54.39717491 0.01270201998 . . . . . . . 286 LEU CA . 52766 1 776 . 1 . 1 286 286 LEU CB C 13 47.21781566 . . . . . . . . 286 LEU CB . 52766 1 777 . 1 . 1 286 286 LEU N N 15 117.7024158 0.0509273163 . . . . . . . 286 LEU N . 52766 1 778 . 1 . 1 287 287 ILE H H 1 9.345831325 0.001566762377 . . . . . . . 287 ILE H . 52766 1 779 . 1 . 1 287 287 ILE C C 13 174.145 . . . . . . . . 287 ILE C . 52766 1 780 . 1 . 1 287 287 ILE CA C 13 59.99045108 0.07388319684 . . . . . . . 287 ILE CA . 52766 1 781 . 1 . 1 287 287 ILE CB C 13 45.17766667 7.594418711 . . . . . . . 287 ILE CB . 52766 1 782 . 1 . 1 287 287 ILE N N 15 123.8219885 0.03195174578 . . . . . . . 287 ILE N . 52766 1 783 . 1 . 1 288 288 ALA H H 1 9.118922792 0.0002316246312 . . . . . . . 288 ALA H . 52766 1 784 . 1 . 1 288 288 ALA C C 13 174.4556667 0.3896582548 . . . . . . . 288 ALA C . 52766 1 785 . 1 . 1 288 288 ALA CA C 13 50.362 0.01600000001 . . . . . . . 288 ALA CA . 52766 1 786 . 1 . 1 288 288 ALA CB C 13 21.677 . . . . . . . . 288 ALA CB . 52766 1 787 . 1 . 1 288 288 ALA N N 15 131.7621933 0.0005797869262 . . . . . . . 288 ALA N . 52766 1 788 . 1 . 1 292 292 GLN C C 13 174.8680082 . . . . . . . . 292 GLN C . 52766 1 789 . 1 . 1 292 292 GLN CB C 13 29.17389758 . . . . . . . . 292 GLN CB . 52766 1 790 . 1 . 1 293 293 THR H H 1 7.061006816 0.0006498944932 . . . . . . . 293 THR H . 52766 1 791 . 1 . 1 293 293 THR C C 13 171.17051 . . . . . . . . 293 THR C . 52766 1 792 . 1 . 1 293 293 THR CA C 13 58.24846989 0.008024700001 . . . . . . . 293 THR CA . 52766 1 793 . 1 . 1 293 293 THR CB C 13 69.17955391 . . . . . . . . 293 THR CB . 52766 1 794 . 1 . 1 293 293 THR N N 15 108.6120507 0.02082108319 . . . . . . . 293 THR N . 52766 1 795 . 1 . 1 299 299 PRO C C 13 178.667 . . . . . . . . 299 PRO C . 52766 1 796 . 1 . 1 299 299 PRO CA C 13 65.68434742 0.01650911862 . . . . . . . 299 PRO CA . 52766 1 797 . 1 . 1 300 300 ASP H H 1 9.006399273 0.00767368077 . . . . . . . 300 ASP H . 52766 1 798 . 1 . 1 300 300 ASP C C 13 178.8345 0.003499999813 . . . . . . . 300 ASP C . 52766 1 799 . 1 . 1 300 300 ASP CA C 13 56.66266667 0.05977922344 . . . . . . . 300 ASP CA . 52766 1 800 . 1 . 1 300 300 ASP CB C 13 39.5961639 0.001163899238 . . . . . . . 300 ASP CB . 52766 1 801 . 1 . 1 300 300 ASP N N 15 116.03625 0.01125555429 . . . . . . . 300 ASP N . 52766 1 802 . 1 . 1 301 301 LEU H H 1 7.381068147 0.003678462477 . . . . . . . 301 LEU H . 52766 1 803 . 1 . 1 301 301 LEU C C 13 178.5859303 0.02206965468 . . . . . . . 301 LEU C . 52766 1 804 . 1 . 1 301 301 LEU CA C 13 56.04115648 0.006182739474 . . . . . . . 301 LEU CA . 52766 1 805 . 1 . 1 301 301 LEU CB C 13 40.96659855 0.0126197113 . . . . . . . 301 LEU CB . 52766 1 806 . 1 . 1 301 301 LEU N N 15 121.0980127 0.000031 . . . . . . . 301 LEU N . 52766 1 807 . 1 . 1 302 302 ARG H H 1 7.828390149 0.0005178390067 . . . . . . . 302 ARG H . 52766 1 808 . 1 . 1 302 302 ARG C C 13 177.7561498 0.03314981598 . . . . . . . 302 ARG C . 52766 1 809 . 1 . 1 302 302 ARG CA C 13 60.51546964 0.01877879153 . . . . . . . 302 ARG CA . 52766 1 810 . 1 . 1 302 302 ARG N N 15 119.937138 0.0002182643637 . . . . . . . 302 ARG N . 52766 1 811 . 1 . 1 303 303 THR H H 1 7.953068107 0.005454685484 . . . . . . . 303 THR H . 52766 1 812 . 1 . 1 303 303 THR C C 13 176.9622745 0.006783856455 . . . . . . . 303 THR C . 52766 1 813 . 1 . 1 303 303 THR CA C 13 65.7707972 0.0007972015688 . . . . . . . 303 THR CA . 52766 1 814 . 1 . 1 303 303 THR CB C 13 68.18146648 0.03146648239 . . . . . . . 303 THR CB . 52766 1 815 . 1 . 1 303 303 THR N N 15 113.8426 0.01175755087 . . . . . . . 303 THR N . 52766 1 816 . 1 . 1 304 304 THR H H 1 7.621666831 0.0007747960798 . . . . . . . 304 THR H . 52766 1 817 . 1 . 1 304 304 THR CA C 13 67.20569349 0.005605281621 . . . . . . . 304 THR CA . 52766 1 818 . 1 . 1 304 304 THR CB C 13 68.06594049 0.05652646531 . . . . . . . 304 THR CB . 52766 1 819 . 1 . 1 304 304 THR N N 15 119.734839 0.004164164273 . . . . . . . 304 THR N . 52766 1 820 . 1 . 1 305 305 LEU H H 1 8.382021038 0.0009448686963 . . . . . . . 305 LEU H . 52766 1 821 . 1 . 1 305 305 LEU C C 13 178.7206421 0.01012111993 . . . . . . . 305 LEU C . 52766 1 822 . 1 . 1 305 305 LEU CA C 13 57.63995369 0.02720776922 . . . . . . . 305 LEU CA . 52766 1 823 . 1 . 1 305 305 LEU CB C 13 40.60070143 0.08485415662 . . . . . . . 305 LEU CB . 52766 1 824 . 1 . 1 305 305 LEU N N 15 120.6143605 0.04474499577 . . . . . . . 305 LEU N . 52766 1 825 . 1 . 1 306 306 GLU H H 1 8.352249508 0.002780570386 . . . . . . . 306 GLU H . 52766 1 826 . 1 . 1 306 306 GLU C C 13 178.6690372 0.006037203153 . . . . . . . 306 GLU C . 52766 1 827 . 1 . 1 306 306 GLU CA C 13 59.90829888 0.02135668778 . . . . . . . 306 GLU CA . 52766 1 828 . 1 . 1 306 306 GLU CB C 13 28.62505891 0.1098244141 . . . . . . . 306 GLU CB . 52766 1 829 . 1 . 1 306 306 GLU N N 15 120.4149381 0.04721477011 . . . . . . . 306 GLU N . 52766 1 830 . 1 . 1 307 307 TYR H H 1 7.978350958 0.004843472311 . . . . . . . 307 TYR H . 52766 1 831 . 1 . 1 307 307 TYR C C 13 178.7611941 0.0208059429 . . . . . . . 307 TYR C . 52766 1 832 . 1 . 1 307 307 TYR CA C 13 60.86273843 0.01174255542 . . . . . . . 307 TYR CA . 52766 1 833 . 1 . 1 307 307 TYR N N 15 119.457 0.0000013 . . . . . . . 307 TYR N . 52766 1 834 . 1 . 1 308 308 LEU H H 1 8.548838531 0.002304286526 . . . . . . . 308 LEU H . 52766 1 835 . 1 . 1 308 308 LEU C C 13 178.8605922 0.0185921512 . . . . . . . 308 LEU C . 52766 1 836 . 1 . 1 308 308 LEU CA C 13 58.02098383 0.03184019468 . . . . . . . 308 LEU CA . 52766 1 837 . 1 . 1 308 308 LEU CB C 13 41.235 . . . . . . . . 308 LEU CB . 52766 1 838 . 1 . 1 308 308 LEU N N 15 120.2424 0.05617330326 . . . . . . . 308 LEU N . 52766 1 839 . 1 . 1 309 309 GLY H H 1 9.029556184 0.009007836343 . . . . . . . 309 GLY H . 52766 1 840 . 1 . 1 309 309 GLY C C 13 176.2329357 0.02593574974 . . . . . . . 309 GLY C . 52766 1 841 . 1 . 1 309 309 GLY CA C 13 47.04275325 0.09125318456 . . . . . . . 309 GLY CA . 52766 1 842 . 1 . 1 309 309 GLY N N 15 107.3136401 0.06251255531 . . . . . . . 309 GLY N . 52766 1 843 . 1 . 1 310 310 ARG H H 1 8.2 0.0000001686 . . . . . . . 310 ARG H . 52766 1 844 . 1 . 1 310 310 ARG C C 13 179.6626667 0.04914151909 . . . . . . . 310 ARG C . 52766 1 845 . 1 . 1 310 310 ARG CA C 13 59.60975 0.05551294894 . . . . . . . 310 ARG CA . 52766 1 846 . 1 . 1 310 310 ARG CB C 13 29.084 . . . . . . . . 310 ARG CB . 52766 1 847 . 1 . 1 310 310 ARG N N 15 123.1354444 0.03834090101 . . . . . . . 310 ARG N . 52766 1 848 . 1 . 1 311 311 GLU H H 1 8.23 0.007892129896 . . . . . . . 311 GLU H . 52766 1 849 . 1 . 1 311 311 GLU C C 13 179.761 . . . . . . . . 311 GLU C . 52766 1 850 . 1 . 1 311 311 GLU CA C 13 58.31288344 0.04728779442 . . . . . . . 311 GLU CA . 52766 1 851 . 1 . 1 311 311 GLU CB C 13 28.2675 0.0585 . . . . . . . 311 GLU CB . 52766 1 852 . 1 . 1 311 311 GLU N N 15 121.0967143 0.02868406372 . . . . . . . 311 GLU N . 52766 1 853 . 1 . 1 312 312 LEU H H 1 9.250889049 0.0002935497228 . . . . . . . 312 LEU H . 52766 1 854 . 1 . 1 312 312 LEU C C 13 177.987 . . . . . . . . 312 LEU C . 52766 1 855 . 1 . 1 312 312 LEU CA C 13 57.5885 0.0385 . . . . . . . 312 LEU CA . 52766 1 856 . 1 . 1 312 312 LEU CB C 13 40.533 . . . . . . . . 312 LEU CB . 52766 1 857 . 1 . 1 312 312 LEU N N 15 120.4140646 0.0001709393044 . . . . . . . 312 LEU N . 52766 1 858 . 1 . 1 337 337 ARG C C 13 179.624 . . . . . . . . 337 ARG C . 52766 1 859 . 1 . 1 337 337 ARG CA C 13 59.38433333 0.06533163263 . . . . . . . 337 ARG CA . 52766 1 860 . 1 . 1 338 338 VAL H H 1 7.912533034 0.0008891974812 . . . . . . . 338 VAL H . 52766 1 861 . 1 . 1 338 338 VAL C C 13 177.0978888 0.01588881264 . . . . . . . 338 VAL C . 52766 1 862 . 1 . 1 338 338 VAL CA C 13 65.68725 0.037385659 . . . . . . . 338 VAL CA . 52766 1 863 . 1 . 1 338 338 VAL CB C 13 30.544 . . . . . . . . 338 VAL CB . 52766 1 864 . 1 . 1 338 338 VAL N N 15 121.098 0.04400000009 . . . . . . . 338 VAL N . 52766 1 865 . 1 . 1 339 339 ALA H H 1 8.929857143 0.009448031865 . . . . . . . 339 ALA H . 52766 1 866 . 1 . 1 339 339 ALA C C 13 180.2236667 0.002624669043 . . . . . . . 339 ALA C . 52766 1 867 . 1 . 1 339 339 ALA CA C 13 54.9273012 0.04832661352 . . . . . . . 339 ALA CA . 52766 1 868 . 1 . 1 339 339 ALA CB C 13 17.4945 0.0005000000278 . . . . . . . 339 ALA CB . 52766 1 869 . 1 . 1 339 339 ALA N N 15 121.6417143 0.00804832329 . . . . . . . 339 ALA N . 52766 1 870 . 1 . 1 340 340 LEU H H 1 7.812370235 0.003236013902 . . . . . . . 340 LEU H . 52766 1 871 . 1 . 1 340 340 LEU C C 13 179.1555 0.003499999813 . . . . . . . 340 LEU C . 52766 1 872 . 1 . 1 340 340 LEU CA C 13 57.38893983 0.07387054921 . . . . . . . 340 LEU CA . 52766 1 873 . 1 . 1 340 340 LEU CB C 13 41.26208759 0.0752741699 . . . . . . . 340 LEU CB . 52766 1 874 . 1 . 1 340 340 LEU N N 15 118.0672032 0.04232043396 . . . . . . . 340 LEU N . 52766 1 875 . 1 . 1 341 341 ALA H H 1 7.502427624 0.001993694894 . . . . . . . 341 ALA H . 52766 1 876 . 1 . 1 341 341 ALA C C 13 180.3976667 0.05044028375 . . . . . . . 341 ALA C . 52766 1 877 . 1 . 1 341 341 ALA CA C 13 54.11483333 0.1193753418 . . . . . . . 341 ALA CA . 52766 1 878 . 1 . 1 341 341 ALA CB C 13 18.46430948 0.06767363606 . . . . . . . 341 ALA CB . 52766 1 879 . 1 . 1 341 341 ALA N N 15 120.9462685 0.03918728021 . . . . . . . 341 ALA N . 52766 1 880 . 1 . 1 342 342 ALA H H 1 8.540666667 0.003749073963 . . . . . . . 342 ALA H . 52766 1 881 . 1 . 1 342 342 ALA C C 13 177.8594364 0.005168519938 . . . . . . . 342 ALA C . 52766 1 882 . 1 . 1 342 342 ALA CA C 13 53.44075 0.05457277252 . . . . . . . 342 ALA CA . 52766 1 883 . 1 . 1 342 342 ALA CB C 13 17.214 0.021 . . . . . . . 342 ALA CB . 52766 1 884 . 1 . 1 342 342 ALA N N 15 118.2203333 0.03515995192 . . . . . . . 342 ALA N . 52766 1 885 . 1 . 1 343 343 ALA H H 1 7.494960269 0.00214267265 . . . . . . . 343 ALA H . 52766 1 886 . 1 . 1 343 343 ALA C C 13 178.1074878 0.01351217224 . . . . . . . 343 ALA C . 52766 1 887 . 1 . 1 343 343 ALA CA C 13 53.438 0.07432810146 . . . . . . . 343 ALA CA . 52766 1 888 . 1 . 1 343 343 ALA CB C 13 17.73933333 0.08448010943 . . . . . . . 343 ALA CB . 52766 1 889 . 1 . 1 343 343 ALA N N 15 118.227 0.000002336 . . . . . . . 343 ALA N . 52766 1 890 . 1 . 1 344 344 HIS H H 1 7.622097635 0.007326910578 . . . . . . . 344 HIS H . 52766 1 891 . 1 . 1 344 344 HIS C C 13 174.792 . . . . . . . . 344 HIS C . 52766 1 892 . 1 . 1 344 344 HIS CA C 13 55.34665216 0.06134783531 . . . . . . . 344 HIS CA . 52766 1 893 . 1 . 1 344 344 HIS CB C 13 29.543 . . . . . . . . 344 HIS CB . 52766 1 894 . 1 . 1 344 344 HIS N N 15 115.0901824 0.02261270547 . . . . . . . 344 HIS N . 52766 1 895 . 1 . 1 348 348 PRO C C 13 177.8725 0.0255 . . . . . . . 348 PRO C . 52766 1 896 . 1 . 1 348 348 PRO CA C 13 64.8225 0.04595922107 . . . . . . . 348 PRO CA . 52766 1 897 . 1 . 1 348 348 PRO CB C 13 30.092 . . . . . . . . 348 PRO CB . 52766 1 898 . 1 . 1 349 349 HIS H H 1 8.168727273 0.004391953575 . . . . . . . 349 HIS H . 52766 1 899 . 1 . 1 349 349 HIS C C 13 178.3326667 0.0341792659 . . . . . . . 349 HIS C . 52766 1 900 . 1 . 1 349 349 HIS CA C 13 60.10233333 0.08224691821 . . . . . . . 349 HIS CA . 52766 1 901 . 1 . 1 349 349 HIS CB C 13 30.44966667 0.05857379012 . . . . . . . 349 HIS CB . 52766 1 902 . 1 . 1 349 349 HIS N N 15 114.1343636 0.01855347414 . . . . . . . 349 HIS N . 52766 1 903 . 1 . 1 350 350 ASP H H 1 7.629 0.000000119 . . . . . . . 350 ASP H . 52766 1 904 . 1 . 1 350 350 ASP C C 13 177.7962387 0.01329929715 . . . . . . . 350 ASP C . 52766 1 905 . 1 . 1 350 350 ASP CA C 13 56.3785 0.06580463509 . . . . . . . 350 ASP CA . 52766 1 906 . 1 . 1 350 350 ASP CB C 13 40.68566667 0.0628030431 . . . . . . . 350 ASP CB . 52766 1 907 . 1 . 1 350 350 ASP N N 15 119.047 0.000001907 . . . . . . . 350 ASP N . 52766 1 908 . 1 . 1 351 351 THR H H 1 8.148061464 0.002605265712 . . . . . . . 351 THR H . 52766 1 909 . 1 . 1 351 351 THR C C 13 176.316 0 . . . . . . . 351 THR C . 52766 1 910 . 1 . 1 351 351 THR CA C 13 65.46016667 0.1147016662 . . . . . . . 351 THR CA . 52766 1 911 . 1 . 1 351 351 THR CB C 13 69.051 0.07559100475 . . . . . . . 351 THR CB . 52766 1 912 . 1 . 1 351 351 THR N N 15 114.6765196 0.01522188385 . . . . . . . 351 THR N . 52766 1 913 . 1 . 1 352 352 LEU H H 1 8.217818182 0.003009626427 . . . . . . . 352 LEU H . 52766 1 914 . 1 . 1 352 352 LEU C C 13 176.149 0.002999999295 . . . . . . . 352 LEU C . 52766 1 915 . 1 . 1 352 352 LEU CA C 13 56.22316667 0.08015280546 . . . . . . . 352 LEU CA . 52766 1 916 . 1 . 1 352 352 LEU CB C 13 39.589 0.07915806971 . . . . . . . 352 LEU CB . 52766 1 917 . 1 . 1 352 352 LEU N N 15 115.4895455 0.007761954148 . . . . . . . 352 LEU N . 52766 1 918 . 1 . 1 353 353 SER H H 1 7.297545455 0.00143739893 . . . . . . . 353 SER H . 52766 1 919 . 1 . 1 353 353 SER C C 13 173.2456667 0.01545603074 . . . . . . . 353 SER C . 52766 1 920 . 1 . 1 353 353 SER CA C 13 57.5935 0.0709571467 . . . . . . . 353 SER CA . 52766 1 921 . 1 . 1 353 353 SER CB C 13 63.33266667 0.0800846774 . . . . . . . 353 SER CB . 52766 1 922 . 1 . 1 353 353 SER N N 15 109.6078182 0.01638634759 . . . . . . . 353 SER N . 52766 1 923 . 1 . 1 354 354 ASP H H 1 6.993333333 0.00344802681 . . . . . . . 354 ASP H . 52766 1 924 . 1 . 1 354 354 ASP C C 13 177.21 . . . . . . . . 354 ASP C . 52766 1 925 . 1 . 1 354 354 ASP CA C 13 51.7895 0.006499999981 . . . . . . . 354 ASP CA . 52766 1 926 . 1 . 1 354 354 ASP CB C 13 42.052 . . . . . . . . 354 ASP CB . 52766 1 927 . 1 . 1 354 354 ASP N N 15 123.5626667 0.0119884207 . . . . . . . 354 ASP N . 52766 1 928 . 1 . 1 355 355 PRO C C 13 179.435 0.001999999429 . . . . . . . 355 PRO C . 52766 1 929 . 1 . 1 355 355 PRO CA C 13 64.71375 0.08601562358 . . . . . . . 355 PRO CA . 52766 1 930 . 1 . 1 355 355 PRO CB C 13 31.394 0.095 . . . . . . . 355 PRO CB . 52766 1 931 . 1 . 1 356 356 ALA H H 1 8.810916667 0.0002763853431 . . . . . . . 356 ALA H . 52766 1 932 . 1 . 1 356 356 ALA C C 13 179.954 0.01395229997 . . . . . . . 356 ALA C . 52766 1 933 . 1 . 1 356 356 ALA CA C 13 53.835 0.04317869845 . . . . . . . 356 ALA CA . 52766 1 934 . 1 . 1 356 356 ALA CB C 13 17.6165 0.002500000003 . . . . . . . 356 ALA CB . 52766 1 935 . 1 . 1 356 356 ALA N N 15 120.8254167 0.004698552146 . . . . . . . 356 ALA N . 52766 1 936 . 1 . 1 357 357 LEU H H 1 7.7567 0.00253179778 . . . . . . . 357 LEU H . 52766 1 937 . 1 . 1 357 357 LEU C C 13 177.4056667 0.03809053542 . . . . . . . 357 LEU C . 52766 1 938 . 1 . 1 357 357 LEU CA C 13 55.65792942 0.008746051564 . . . . . . . 357 LEU CA . 52766 1 939 . 1 . 1 357 357 LEU CB C 13 41.50147996 0.01396019064 . . . . . . . 357 LEU CB . 52766 1 940 . 1 . 1 357 357 LEU N N 15 117.7067 0.01901604586 . . . . . . . 357 LEU N . 52766 1 941 . 1 . 1 358 358 ASP H H 1 7.636485 0.004721586922 . . . . . . . 358 ASP H . 52766 1 942 . 1 . 1 358 358 ASP C C 13 175.771 0.00199999852 . . . . . . . 358 ASP C . 52766 1 943 . 1 . 1 358 358 ASP CA C 13 54.32988506 0.06079611899 . . . . . . . 358 ASP CA . 52766 1 944 . 1 . 1 358 358 ASP CB C 13 39.44366667 0.03158410289 . . . . . . . 358 ASP CB . 52766 1 945 . 1 . 1 358 358 ASP N N 15 114.8956919 0.09420496044 . . . . . . . 358 ASP N . 52766 1 946 . 1 . 1 359 359 LEU H H 1 8.5391 0.003806573262 . . . . . . . 359 LEU H . 52766 1 947 . 1 . 1 359 359 LEU C C 13 180.79 0.0352798337 . . . . . . . 359 LEU C . 52766 1 948 . 1 . 1 359 359 LEU CA C 13 57.50233333 0.06020428187 . . . . . . . 359 LEU CA . 52766 1 949 . 1 . 1 359 359 LEU CB C 13 41.29666731 0.1000220134 . . . . . . . 359 LEU CB . 52766 1 950 . 1 . 1 359 359 LEU N N 15 120.2774 0.0004898972146 . . . . . . . 359 LEU N . 52766 1 951 . 1 . 1 360 360 LEU H H 1 9.007981007 0.002479403032 . . . . . . . 360 LEU H . 52766 1 952 . 1 . 1 360 360 LEU C C 13 178.578 0.006999999886 . . . . . . . 360 LEU C . 52766 1 953 . 1 . 1 360 360 LEU CA C 13 58.7364 0.08270090688 . . . . . . . 360 LEU CA . 52766 1 954 . 1 . 1 360 360 LEU N N 15 119.9989234 0.01610345314 . . . . . . . 360 LEU N . 52766 1 955 . 1 . 1 361 361 GLY H H 1 8.056857143 0.002799416852 . . . . . . . 361 GLY H . 52766 1 956 . 1 . 1 361 361 GLY C C 13 177.883 0.01867261795 . . . . . . . 361 GLY C . 52766 1 957 . 1 . 1 361 361 GLY CA C 13 46.7385 0.07712705967 . . . . . . . 361 GLY CA . 52766 1 958 . 1 . 1 361 361 GLY N N 15 109.0618571 0.01014788578 . . . . . . . 361 GLY N . 52766 1 959 . 1 . 1 362 362 LEU H H 1 7.9993 0.0008999999938 . . . . . . . 362 LEU H . 52766 1 960 . 1 . 1 362 362 LEU C C 13 175.057 0.00199999852 . . . . . . . 362 LEU C . 52766 1 961 . 1 . 1 362 362 LEU CA C 13 57.83733333 0.1160497977 . . . . . . . 362 LEU CA . 52766 1 962 . 1 . 1 362 362 LEU CB C 13 41.672 . . . . . . . . 362 LEU CB . 52766 1 963 . 1 . 1 362 362 LEU N N 15 123.565 0.01800000007 . . . . . . . 362 LEU N . 52766 1 964 . 1 . 1 363 363 MET H H 1 6.087857143 0.01434701135 . . . . . . . 363 MET H . 52766 1 965 . 1 . 1 363 363 MET C C 13 175.1893333 0.008730533505 . . . . . . . 363 MET C . 52766 1 966 . 1 . 1 363 363 MET CA C 13 51.6684 0.07622230645 . . . . . . . 363 MET CA . 52766 1 967 . 1 . 1 363 363 MET CB C 13 32.8115 0.01750000001 . . . . . . . 363 MET CB . 52766 1 968 . 1 . 1 363 363 MET N N 15 108.4152857 0.08153301571 . . . . . . . 363 MET N . 52766 1 969 . 1 . 1 364 364 ARG H H 1 8.222555556 0.002753224816 . . . . . . . 364 ARG H . 52766 1 970 . 1 . 1 364 364 ARG C C 13 175.9885609 0.0004390963457 . . . . . . . 364 ARG C . 52766 1 971 . 1 . 1 364 364 ARG CA C 13 56.85877405 0.02135347465 . . . . . . . 364 ARG CA . 52766 1 972 . 1 . 1 364 364 ARG CB C 13 27.54374629 0.05686636723 . . . . . . . 364 ARG CB . 52766 1 973 . 1 . 1 364 364 ARG N N 15 119.4485556 0.02818238657 . . . . . . . 364 ARG N . 52766 1 974 . 1 . 1 365 365 ALA H H 1 8.319647023 0.003123600788 . . . . . . . 365 ALA H . 52766 1 975 . 1 . 1 365 365 ALA C C 13 176.6205511 0.02280363895 . . . . . . . 365 ALA C . 52766 1 976 . 1 . 1 365 365 ALA CA C 13 50.9822 0.06259520748 . . . . . . . 365 ALA CA . 52766 1 977 . 1 . 1 365 365 ALA CB C 13 22.20166667 0.07402852303 . . . . . . . 365 ALA CB . 52766 1 978 . 1 . 1 365 365 ALA N N 15 121.2198799 0.04821270879 . . . . . . . 365 ALA N . 52766 1 979 . 1 . 1 366 366 GLY H H 1 9.382 0.0000001686 . . . . . . . 366 GLY H . 52766 1 980 . 1 . 1 366 366 GLY C C 13 175.2007682 0.02176819994 . . . . . . . 366 GLY C . 52766 1 981 . 1 . 1 366 366 GLY CA C 13 45.46560097 0.02004719545 . . . . . . . 366 GLY CA . 52766 1 982 . 1 . 1 366 366 GLY N N 15 106.742 0.000002336 . . . . . . . 366 GLY N . 52766 1 983 . 1 . 1 367 367 GLY H H 1 8.321498785 0.005197641899 . . . . . . . 367 GLY H . 52766 1 984 . 1 . 1 367 367 GLY C C 13 170.8025 0.008499999834 . . . . . . . 367 GLY C . 52766 1 985 . 1 . 1 367 367 GLY CA C 13 44.69744785 0.02610223321 . . . . . . . 367 GLY CA . 52766 1 986 . 1 . 1 367 367 GLY N N 15 109.8868799 0.002304824256 . . . . . . . 367 GLY N . 52766 1 987 . 1 . 1 368 368 LEU H H 1 8.799567515 0.004978503007 . . . . . . . 368 LEU H . 52766 1 988 . 1 . 1 368 368 LEU C C 13 174.426 0.004000000677 . . . . . . . 368 LEU C . 52766 1 989 . 1 . 1 368 368 LEU CA C 13 53.518 0.05782041163 . . . . . . . 368 LEU CA . 52766 1 990 . 1 . 1 368 368 LEU CB C 13 46.49519772 0.04165880293 . . . . . . . 368 LEU CB . 52766 1 991 . 1 . 1 368 368 LEU N N 15 122.8300509 0.1287684356 . . . . . . . 368 LEU N . 52766 1 992 . 1 . 1 369 369 ILE H H 1 9.461097497 0.002699176124 . . . . . . . 369 ILE H . 52766 1 993 . 1 . 1 369 369 ILE C C 13 174.3043333 0.01532608511 . . . . . . . 369 ILE C . 52766 1 994 . 1 . 1 369 369 ILE CA C 13 59.827 0.07658546424 . . . . . . . 369 ILE CA . 52766 1 995 . 1 . 1 369 369 ILE CB C 13 39.68133333 0.07694298033 . . . . . . . 369 ILE CB . 52766 1 996 . 1 . 1 369 369 ILE N N 15 124.6939258 0.06289736644 . . . . . . . 369 ILE N . 52766 1 997 . 1 . 1 370 370 LEU H H 1 9.119 0 . . . . . . . 370 LEU H . 52766 1 998 . 1 . 1 370 370 LEU C C 13 175.1073333 0.02530261285 . . . . . . . 370 LEU C . 52766 1 999 . 1 . 1 370 370 LEU CA C 13 53.67516667 0.09126776844 . . . . . . . 370 LEU CA . 52766 1 1000 . 1 . 1 370 370 LEU CB C 13 43.17 0.08071348504 . . . . . . . 370 LEU CB . 52766 1 1001 . 1 . 1 370 370 LEU N N 15 125.473 0.000002336 . . . . . . . 370 LEU N . 52766 1 1002 . 1 . 1 371 371 ARG H H 1 8.602166667 0.0005527707891 . . . . . . . 371 ARG H . 52766 1 1003 . 1 . 1 371 371 ARG C C 13 172.8683333 0.005906681484 . . . . . . . 371 ARG C . 52766 1 1004 . 1 . 1 371 371 ARG CA C 13 55.40266667 0.09696677552 . . . . . . . 371 ARG CA . 52766 1 1005 . 1 . 1 371 371 ARG CB C 13 32.64633333 0.06171079502 . . . . . . . 371 ARG CB . 52766 1 1006 . 1 . 1 371 371 ARG N N 15 126.1545 0.008291562282 . . . . . . . 371 ARG N . 52766 1 1007 . 1 . 1 372 372 PHE H H 1 8.471 0.0000001686 . . . . . . . 372 PHE H . 52766 1 1008 . 1 . 1 372 372 PHE C C 13 176.276 0.03317629689 . . . . . . . 372 PHE C . 52766 1 1009 . 1 . 1 372 372 PHE CA C 13 56.9295 0.09440471387 . . . . . . . 372 PHE CA . 52766 1 1010 . 1 . 1 372 372 PHE CB C 13 43.48933333 0.05448139335 . . . . . . . 372 PHE CB . 52766 1 1011 . 1 . 1 372 372 PHE N N 15 119.184 0.000002336 . . . . . . . 372 PHE N . 52766 1 1012 . 1 . 1 373 373 GLU H H 1 10.4831 0.002385372096 . . . . . . . 373 GLU H . 52766 1 1013 . 1 . 1 373 373 GLU C C 13 176.6086667 0.01677961718 . . . . . . . 373 GLU C . 52766 1 1014 . 1 . 1 373 373 GLU CA C 13 56.8598 0.06598909001 . . . . . . . 373 GLU CA . 52766 1 1015 . 1 . 1 373 373 GLU CB C 13 27.46033333 0.06656492236 . . . . . . . 373 GLU CB . 52766 1 1016 . 1 . 1 373 373 GLU N N 15 120.9638 0.008400000192 . . . . . . . 373 GLU N . 52766 1 1017 . 1 . 1 374 374 GLY H H 1 8.8933 0.001417744699 . . . . . . . 374 GLY H . 52766 1 1018 . 1 . 1 374 374 GLY C C 13 174.1285 0.0005000091795 . . . . . . . 374 GLY C . 52766 1 1019 . 1 . 1 374 374 GLY CA C 13 45.50833333 0.0756982313 . . . . . . . 374 GLY CA . 52766 1 1020 . 1 . 1 374 374 GLY N N 15 104.9576 0.01293213072 . . . . . . . 374 GLY N . 52766 1 1021 . 1 . 1 375 375 ARG H H 1 8.377555556 0.001257078729 . . . . . . . 375 ARG H . 52766 1 1022 . 1 . 1 375 375 ARG C C 13 174.0326667 0.01452201427 . . . . . . . 375 ARG C . 52766 1 1023 . 1 . 1 375 375 ARG CA C 13 54.245 0.09186765843 . . . . . . . 375 ARG CA . 52766 1 1024 . 1 . 1 375 375 ARG CB C 13 32.46466667 0.06504015853 . . . . . . . 375 ARG CB . 52766 1 1025 . 1 . 1 375 375 ARG N N 15 119.7353333 0.01225651761 . . . . . . . 375 ARG N . 52766 1 1026 . 1 . 1 376 376 TRP H H 1 8.38375 0.0008291562094 . . . . . . . 376 TRP H . 52766 1 1027 . 1 . 1 376 376 TRP C C 13 175.826 0.005887839721 . . . . . . . 376 TRP C . 52766 1 1028 . 1 . 1 376 376 TRP CA C 13 53.116 0.08253887972 . . . . . . . 376 TRP CA . 52766 1 1029 . 1 . 1 376 376 TRP CB C 13 33.4005 0.0275 . . . . . . . 376 TRP CB . 52766 1 1030 . 1 . 1 376 376 TRP N N 15 118.36325 0.000829152773 . . . . . . . 376 TRP N . 52766 1 1031 . 1 . 1 377 377 GLN H H 1 9.530454545 0.001437398925 . . . . . . . 377 GLN H . 52766 1 1032 . 1 . 1 377 377 GLN C C 13 174.5144569 0.0153550624 . . . . . . . 377 GLN C . 52766 1 1033 . 1 . 1 377 377 GLN CA C 13 54.62866667 0.0877699012 . . . . . . . 377 GLN CA . 52766 1 1034 . 1 . 1 377 377 GLN CB C 13 32.82666667 0.07746540446 . . . . . . . 377 GLN CB . 52766 1 1035 . 1 . 1 377 377 GLN N N 15 118.6431818 0.01954862569 . . . . . . . 377 GLN N . 52766 1 1036 . 1 . 1 378 378 THR H H 1 9.018947597 0.0001738004804 . . . . . . . 378 THR H . 52766 1 1037 . 1 . 1 378 378 THR C C 13 173.9446667 0.01862495332 . . . . . . . 378 THR C . 52766 1 1038 . 1 . 1 378 378 THR CA C 13 59.47283333 0.07027663592 . . . . . . . 378 THR CA . 52766 1 1039 . 1 . 1 378 378 THR CB C 13 71.68333333 0.05423610934 . . . . . . . 378 THR CB . 52766 1 1040 . 1 . 1 378 378 THR N N 15 111.8009167 0.0002763780419 . . . . . . . 378 THR N . 52766 1 1041 . 1 . 1 379 379 LEU H H 1 9.086776013 0.0005611309407 . . . . . . . 379 LEU H . 52766 1 1042 . 1 . 1 379 379 LEU C C 13 176.8446667 0.02191397286 . . . . . . . 379 LEU C . 52766 1 1043 . 1 . 1 379 379 LEU CA C 13 54.32789928 0.06247269636 . . . . . . . 379 LEU CA . 52766 1 1044 . 1 . 1 379 379 LEU CB C 13 45.824 0.08 . . . . . . . 379 LEU CB . 52766 1 1045 . 1 . 1 379 379 LEU N N 15 120.5395403 0.03785208064 . . . . . . . 379 LEU N . 52766 1 1046 . 1 . 1 380 380 GLY H H 1 8.858 0.000000206 . . . . . . . 380 GLY H . 52766 1 1047 . 1 . 1 380 380 GLY C C 13 174.15 0.02367840086 . . . . . . . 380 GLY C . 52766 1 1048 . 1 . 1 380 380 GLY CA C 13 45.27125 0.02212888385 . . . . . . . 380 GLY CA . 52766 1 1049 . 1 . 1 380 380 GLY N N 15 108.24375 0.005952940503 . . . . . . . 380 GLY N . 52766 1 1050 . 1 . 1 381 381 GLU H H 1 9.042 0.001658312393 . . . . . . . 381 GLU H . 52766 1 1051 . 1 . 1 381 381 GLU C C 13 174.7583333 0.02094967514 . . . . . . . 381 GLU C . 52766 1 1052 . 1 . 1 381 381 GLU CA C 13 55.75175 0.0188065813 . . . . . . . 381 GLU CA . 52766 1 1053 . 1 . 1 381 381 GLU CB C 13 29.173 0.013 . . . . . . . 381 GLU CB . 52766 1 1054 . 1 . 1 381 381 GLU N N 15 125.45525 0.0199295635 . . . . . . . 381 GLU N . 52766 1 1055 . 1 . 1 382 382 VAL H H 1 8.054658293 0.001583830888 . . . . . . . 382 VAL H . 52766 1 1056 . 1 . 1 382 382 VAL C C 13 173.335 . . . . . . . . 382 VAL C . 52766 1 1057 . 1 . 1 382 382 VAL CA C 13 57.64735846 0 . . . . . . . 382 VAL CA . 52766 1 1058 . 1 . 1 382 382 VAL CB C 13 32.977 . . . . . . . . 382 VAL CB . 52766 1 1059 . 1 . 1 382 382 VAL N N 15 117.5727517 0.02659944275 . . . . . . . 382 VAL N . 52766 1 1060 . 1 . 1 386 386 PRO C C 13 180.1365 0.02050000005 . . . . . . . 386 PRO C . 52766 1 1061 . 1 . 1 386 386 PRO CA C 13 65.51875825 0.06826398934 . . . . . . . 386 PRO CA . 52766 1 1062 . 1 . 1 386 386 PRO CB C 13 29.9625 0.003499999992 . . . . . . . 386 PRO CB . 52766 1 1063 . 1 . 1 387 387 ALA H H 1 7.515865618 0.003087390129 . . . . . . . 387 ALA H . 52766 1 1064 . 1 . 1 387 387 ALA C C 13 179.226 0.0321662349 . . . . . . . 387 ALA C . 52766 1 1065 . 1 . 1 387 387 ALA CA C 13 53.84716667 0.09226486631 . . . . . . . 387 ALA CA . 52766 1 1066 . 1 . 1 387 387 ALA CB C 13 18.6935 0.0485 . . . . . . . 387 ALA CB . 52766 1 1067 . 1 . 1 387 387 ALA N N 15 120.4066667 0.03545497928 . . . . . . . 387 ALA N . 52766 1 1068 . 1 . 1 388 388 VAL H H 1 7.891 0.004199567076 . . . . . . . 388 VAL H . 52766 1 1069 . 1 . 1 388 388 VAL C C 13 177.9665831 0.02551469313 . . . . . . . 388 VAL C . 52766 1 1070 . 1 . 1 388 388 VAL CA C 13 67.02212357 0.07596382691 . . . . . . . 388 VAL CA . 52766 1 1071 . 1 . 1 388 388 VAL CB C 13 29.799 0.041 . . . . . . . 388 VAL CB . 52766 1 1072 . 1 . 1 388 388 VAL N N 15 121.1061818 0.02156098413 . . . . . . . 388 VAL N . 52766 1 1073 . 1 . 1 389 389 ASP H H 1 8.204883757 0.00387703248 . . . . . . . 389 ASP H . 52766 1 1074 . 1 . 1 389 389 ASP C C 13 179.6842942 0.01270579959 . . . . . . . 389 ASP C . 52766 1 1075 . 1 . 1 389 389 ASP CA C 13 57.8948 0.02575577606 . . . . . . . 389 ASP CA . 52766 1 1076 . 1 . 1 389 389 ASP CB C 13 40.12091358 0.01391358339 . . . . . . . 389 ASP CB . 52766 1 1077 . 1 . 1 389 389 ASP N N 15 117.9333032 0.04011156837 . . . . . . . 389 ASP N . 52766 1 1078 . 1 . 1 390 390 ALA H H 1 7.778566251 0.0006895457714 . . . . . . . 390 ALA H . 52766 1 1079 . 1 . 1 390 390 ALA C C 13 179.525 0.01930457619 . . . . . . . 390 ALA C . 52766 1 1080 . 1 . 1 390 390 ALA CA C 13 54.82628741 0.061615457 . . . . . . . 390 ALA CA . 52766 1 1081 . 1 . 1 390 390 ALA CB C 13 17.413 0.03101612484 . . . . . . . 390 ALA CB . 52766 1 1082 . 1 . 1 390 390 ALA N N 15 122.5843333 0.008640987692 . . . . . . . 390 ALA N . 52766 1 1083 . 1 . 1 391 391 LEU H H 1 8.712916667 0.0006400955207 . . . . . . . 391 LEU H . 52766 1 1084 . 1 . 1 391 391 LEU C C 13 178.952 0.01199999991 . . . . . . . 391 LEU C . 52766 1 1085 . 1 . 1 391 391 LEU CA C 13 57.9666 0.09717736363 . . . . . . . 391 LEU CA . 52766 1 1086 . 1 . 1 391 391 LEU CB C 13 41.15066667 0.08721365846 . . . . . . . 391 LEU CB . 52766 1 1087 . 1 . 1 391 391 LEU N N 15 124.2534167 0.0269952415 . . . . . . . 391 LEU N . 52766 1 1088 . 1 . 1 392 392 LEU H H 1 8.455 0 . . . . . . . 392 LEU H . 52766 1 1089 . 1 . 1 392 392 LEU C C 13 178.2536667 0.01007747808 . . . . . . . 392 LEU C . 52766 1 1090 . 1 . 1 392 392 LEU CA C 13 57.44366667 0.06463401237 . . . . . . . 392 LEU CA . 52766 1 1091 . 1 . 1 392 392 LEU CB C 13 39.8245 0.003499999975 . . . . . . . 392 LEU CB . 52766 1 1092 . 1 . 1 392 392 LEU N N 15 119.594 0.000002697 . . . . . . . 392 LEU N . 52766 1 1093 . 1 . 1 393 393 ALA H H 1 7.701363636 0.0008813963441 . . . . . . . 393 ALA H . 52766 1 1094 . 1 . 1 393 393 ALA C C 13 180.5145 0.01150000013 . . . . . . . 393 ALA C . 52766 1 1095 . 1 . 1 393 393 ALA CA C 13 54.08733333 0.06224592802 . . . . . . . 393 ALA CA . 52766 1 1096 . 1 . 1 393 393 ALA CB C 13 17.069 0.06509992319 . . . . . . . 393 ALA CB . 52766 1 1097 . 1 . 1 393 393 ALA N N 15 120.0001818 0.01207415111 . . . . . . . 393 ALA N . 52766 1 1098 . 1 . 1 394 394 TRP H H 1 7.781909091 0.004209395235 . . . . . . . 394 TRP H . 52766 1 1099 . 1 . 1 394 394 TRP C C 13 179.767 0.01219289453 . . . . . . . 394 TRP C . 52766 1 1100 . 1 . 1 394 394 TRP CA C 13 60.78466667 0.09305673299 . . . . . . . 394 TRP CA . 52766 1 1101 . 1 . 1 394 394 TRP CB C 13 26.04715075 0.08495941227 . . . . . . . 394 TRP CB . 52766 1 1102 . 1 . 1 394 394 TRP N N 15 120.4319091 0.04077756638 . . . . . . . 394 TRP N . 52766 1 1103 . 1 . 1 395 395 LEU H H 1 8.644314058 0.002351959348 . . . . . . . 395 LEU H . 52766 1 1104 . 1 . 1 395 395 LEU C C 13 176.6486667 0.03410115667 . . . . . . . 395 LEU C . 52766 1 1105 . 1 . 1 395 395 LEU CA C 13 57.0522 0.06095703405 . . . . . . . 395 LEU CA . 52766 1 1106 . 1 . 1 395 395 LEU CB C 13 40.147 0.04082482904 . . . . . . . 395 LEU CB . 52766 1 1107 . 1 . 1 395 395 LEU N N 15 125.8995833 0.05469987554 . . . . . . . 395 LEU N . 52766 1 1108 . 1 . 1 396 396 GLU H H 1 7.212727273 0.003017853212 . . . . . . . 396 GLU H . 52766 1 1109 . 1 . 1 396 396 GLU C C 13 177.711 0.0009999965313 . . . . . . . 396 GLU C . 52766 1 1110 . 1 . 1 396 396 GLU CA C 13 57.46033333 0.07293528334 . . . . . . . 396 GLU CA . 52766 1 1111 . 1 . 1 396 396 GLU CB C 13 28.83033333 0.05154501808 . . . . . . . 396 GLU CB . 52766 1 1112 . 1 . 1 396 396 GLU N N 15 110.9672727 0.02654358639 . . . . . . . 396 GLU N . 52766 1 1113 . 1 . 1 397 397 THR H H 1 7.417636364 0.002012358508 . . . . . . . 397 THR H . 52766 1 1114 . 1 . 1 397 397 THR C C 13 175.2333333 0.03866379291 . . . . . . . 397 THR C . 52766 1 1115 . 1 . 1 397 397 THR CA C 13 61.54466667 0.05070393365 . . . . . . . 397 THR CA . 52766 1 1116 . 1 . 1 397 397 THR CB C 13 69.981 0.07041306697 . . . . . . . 397 THR CB . 52766 1 1117 . 1 . 1 397 397 THR N N 15 108.9292727 0.0008624390634 . . . . . . . 397 THR N . 52766 1 1118 . 1 . 1 398 398 GLN H H 1 7.848083333 0.003593010185 . . . . . . . 398 GLN H . 52766 1 1119 . 1 . 1 398 398 GLN C C 13 174.638 . . . . . . . . 398 GLN C . 52766 1 1120 . 1 . 1 398 398 GLN CA C 13 52.1865 0.01150000001 . . . . . . . 398 GLN CA . 52766 1 1121 . 1 . 1 398 398 GLN CB C 13 26.218 . . . . . . . . 398 GLN CB . 52766 1 1122 . 1 . 1 398 398 GLN N N 15 123.4355 0.03077471901 . . . . . . . 398 GLN N . 52766 1 1123 . 1 . 1 401 401 ALA C C 13 175.4435 0.002500000059 . . . . . . . 401 ALA C . 52766 1 1124 . 1 . 1 401 401 ALA CA C 13 51.0305 0.0824454365 . . . . . . . 401 ALA CA . 52766 1 1125 . 1 . 1 401 401 ALA CB C 13 19.332 0.05 . . . . . . . 401 ALA CB . 52766 1 1126 . 1 . 1 402 402 LEU H H 1 7.581083333 0.0006400954874 . . . . . . . 402 LEU H . 52766 1 1127 . 1 . 1 402 402 LEU C C 13 176.3736667 0.03108411533 . . . . . . . 402 LEU C . 52766 1 1128 . 1 . 1 402 402 LEU CA C 13 55.12683333 0.08995261098 . . . . . . . 402 LEU CA . 52766 1 1129 . 1 . 1 402 402 LEU CB C 13 44.48266667 0.07202931502 . . . . . . . 402 LEU CB . 52766 1 1130 . 1 . 1 402 402 LEU N N 15 120.2625 0.03809746266 . . . . . . . 402 LEU N . 52766 1 1131 . 1 . 1 403 403 VAL H H 1 9.371833333 0.002763854002 . . . . . . . 403 VAL H . 52766 1 1132 . 1 . 1 403 403 VAL C C 13 173.2793333 0.002054806786 . . . . . . . 403 VAL C . 52766 1 1133 . 1 . 1 403 403 VAL CA C 13 61.0505 0.09006062773 . . . . . . . 403 VAL CA . 52766 1 1134 . 1 . 1 403 403 VAL CB C 13 34.71033333 0.05406374838 . . . . . . . 403 VAL CB . 52766 1 1135 . 1 . 1 403 403 VAL N N 15 129.031 0.009949874044 . . . . . . . 403 VAL N . 52766 1 1136 . 1 . 1 404 404 GLN H H 1 8.77925 0.002586020104 . . . . . . . 404 GLN H . 52766 1 1137 . 1 . 1 404 404 GLN C C 13 173.8776667 0.003858612483 . . . . . . . 404 GLN C . 52766 1 1138 . 1 . 1 404 404 GLN CA C 13 52.88116667 0.08964079552 . . . . . . . 404 GLN CA . 52766 1 1139 . 1 . 1 404 404 GLN CB C 13 29.68966667 0.07576425425 . . . . . . . 404 GLN CB . 52766 1 1140 . 1 . 1 404 404 GLN N N 15 123.2850833 0.0002763813326 . . . . . . . 404 GLN N . 52766 1 1141 . 1 . 1 405 405 THR H H 1 9.368 0.000000119 . . . . . . . 405 THR H . 52766 1 1142 . 1 . 1 405 405 THR C C 13 171.912 0.05093132636 . . . . . . . 405 THR C . 52766 1 1143 . 1 . 1 405 405 THR CA C 13 61.27366667 0.08462006592 . . . . . . . 405 THR CA . 52766 1 1144 . 1 . 1 405 405 THR CB C 13 67.766 0.02303620336 . . . . . . . 405 THR CB . 52766 1 1145 . 1 . 1 405 405 THR N N 15 116.039 0.000002336 . . . . . . . 405 THR N . 52766 1 1146 . 1 . 1 406 406 ASP H H 1 8.914 0.000000119 . . . . . . . 406 ASP H . 52766 1 1147 . 1 . 1 406 406 ASP C C 13 173.369 0.05999999997 . . . . . . . 406 ASP C . 52766 1 1148 . 1 . 1 406 406 ASP CA C 13 53.18070691 0.09496584466 . . . . . . . 406 ASP CA . 52766 1 1149 . 1 . 1 406 406 ASP CB C 13 40.18522818 0.02349622308 . . . . . . . 406 ASP CB . 52766 1 1150 . 1 . 1 406 406 ASP N N 15 128.344 0.000002697 . . . . . . . 406 ASP N . 52766 1 1151 . 1 . 1 407 407 ALA H H 1 8.50800473 0.0001161854002 . . . . . . . 407 ALA H . 52766 1 1152 . 1 . 1 407 407 ALA C C 13 177.691 0.01805547012 . . . . . . . 407 ALA C . 52766 1 1153 . 1 . 1 407 407 ALA CA C 13 50.82733333 0.06698424359 . . . . . . . 407 ALA CA . 52766 1 1154 . 1 . 1 407 407 ALA CB C 13 16.442 0.1054640539 . . . . . . . 407 ALA CB . 52766 1 1155 . 1 . 1 407 407 ALA N N 15 124.1004034 0.01678988793 . . . . . . . 407 ALA N . 52766 1 1156 . 1 . 1 408 408 LEU H H 1 9.93 0 . . . . . . . 408 LEU H . 52766 1 1157 . 1 . 1 408 408 LEU C C 13 178.3663333 0.0118415463 . . . . . . . 408 LEU C . 52766 1 1158 . 1 . 1 408 408 LEU CA C 13 58.20183333 0.09605105702 . . . . . . . 408 LEU CA . 52766 1 1159 . 1 . 1 408 408 LEU CB C 13 40.81466667 0.05541560149 . . . . . . . 408 LEU CB . 52766 1 1160 . 1 . 1 408 408 LEU N N 15 127.661 0.000004046 . . . . . . . 408 LEU N . 52766 1 1161 . 1 . 1 409 409 GLY H H 1 9.113181818 0.002479669403 . . . . . . . 409 GLY H . 52766 1 1162 . 1 . 1 409 409 GLY C C 13 174.801 0.01100000021 . . . . . . . 409 GLY C . 52766 1 1163 . 1 . 1 409 409 GLY CA C 13 45.05716667 0.07380021831 . . . . . . . 409 GLY CA . 52766 1 1164 . 1 . 1 409 409 GLY N N 15 104.2669091 0.02711743674 . . . . . . . 409 GLY N . 52766 1 1165 . 1 . 1 410 410 GLN H H 1 7.858603734 0.001812646414 . . . . . . . 410 GLN H . 52766 1 1166 . 1 . 1 410 410 GLN C C 13 176.9971388 0.002861186976 . . . . . . . 410 GLN C . 52766 1 1167 . 1 . 1 410 410 GLN CA C 13 56.53234985 0.04223511139 . . . . . . . 410 GLN CA . 52766 1 1168 . 1 . 1 410 410 GLN CB C 13 27.73066667 0.05232165475 . . . . . . . 410 GLN CB . 52766 1 1169 . 1 . 1 410 410 GLN N N 15 116.4489713 0.000081 . . . . . . . 410 GLN N . 52766 1 1170 . 1 . 1 411 411 LEU H H 1 7.416235562 0.003988299761 . . . . . . . 411 LEU H . 52766 1 1171 . 1 . 1 411 411 LEU C C 13 176.5246824 0.01028609457 . . . . . . . 411 LEU C . 52766 1 1172 . 1 . 1 411 411 LEU CA C 13 55.7870926 0.0373567647 . . . . . . . 411 LEU CA . 52766 1 1173 . 1 . 1 411 411 LEU CB C 13 43.24 0.029 . . . . . . . 411 LEU CB . 52766 1 1174 . 1 . 1 411 411 LEU N N 15 119.846 0.04240711777 . . . . . . . 411 LEU N . 52766 1 1175 . 1 . 1 412 412 TRP H H 1 8.648017983 0.006109223427 . . . . . . . 412 TRP H . 52766 1 1176 . 1 . 1 412 412 TRP CA C 13 54.22267283 0.004327174965 . . . . . . . 412 TRP CA . 52766 1 1177 . 1 . 1 412 412 TRP CB C 13 26.867 . . . . . . . . 412 TRP CB . 52766 1 1178 . 1 . 1 412 412 TRP N N 15 121.2006651 0.05927376399 . . . . . . . 412 TRP N . 52766 1 1179 . 1 . 1 413 413 PRO C C 13 179.1885 0.02950000003 . . . . . . . 413 PRO C . 52766 1 1180 . 1 . 1 413 413 PRO CA C 13 65.169 0.101882285 . . . . . . . 413 PRO CA . 52766 1 1181 . 1 . 1 413 413 PRO CB C 13 30.7675 0.0855 . . . . . . . 413 PRO CB . 52766 1 1182 . 1 . 1 414 414 ALA H H 1 6.814333333 0.00143372087 . . . . . . . 414 ALA H . 52766 1 1183 . 1 . 1 414 414 ALA C C 13 177.5736667 0.006944222084 . . . . . . . 414 ALA C . 52766 1 1184 . 1 . 1 414 414 ALA CA C 13 52.63983333 0.08188287706 . . . . . . . 414 ALA CA . 52766 1 1185 . 1 . 1 414 414 ALA CB C 13 16.365 0.05309111664 . . . . . . . 414 ALA CB . 52766 1 1186 . 1 . 1 414 414 ALA N N 15 118.0965 0.01521238531 . . . . . . . 414 ALA N . 52766 1 1187 . 1 . 1 415 415 GLY H H 1 7.255181818 0.001402477145 . . . . . . . 415 GLY H . 52766 1 1188 . 1 . 1 415 415 GLY C C 13 175.8916667 0.01078064139 . . . . . . . 415 GLY C . 52766 1 1189 . 1 . 1 415 415 GLY CA C 13 44.83744711 0.07064686946 . . . . . . . 415 GLY CA . 52766 1 1190 . 1 . 1 415 415 GLY N N 15 105.7893636 0.01427185847 . . . . . . . 415 GLY N . 52766 1 1191 . 1 . 1 416 416 ALA H H 1 7.607597327 0.002203171804 . . . . . . . 416 ALA H . 52766 1 1192 . 1 . 1 416 416 ALA C C 13 179.2603333 0.01369509272 . . . . . . . 416 ALA C . 52766 1 1193 . 1 . 1 416 416 ALA CA C 13 55.105 0.04856439025 . . . . . . . 416 ALA CA . 52766 1 1194 . 1 . 1 416 416 ALA CB C 13 17.44233333 0.1197367483 . . . . . . . 416 ALA CB . 52766 1 1195 . 1 . 1 416 416 ALA N N 15 125.1510596 0.06181222461 . . . . . . . 416 ALA N . 52766 1 1196 . 1 . 1 417 417 ASP H H 1 7.8668 0.005600000001 . . . . . . . 417 ASP H . 52766 1 1197 . 1 . 1 417 417 ASP C C 13 176.4733333 0.004988875902 . . . . . . . 417 ASP C . 52766 1 1198 . 1 . 1 417 417 ASP CA C 13 55.025 0.0811028154 . . . . . . . 417 ASP CA . 52766 1 1199 . 1 . 1 417 417 ASP CB C 13 39.89133333 0.01932758535 . . . . . . . 417 ASP CB . 52766 1 1200 . 1 . 1 417 417 ASP N N 15 114.7673 0.09341953758 . . . . . . . 417 ASP N . 52766 1 1201 . 1 . 1 418 418 LEU H H 1 7.57475 0.001479019942 . . . . . . . 418 LEU H . 52766 1 1202 . 1 . 1 418 418 LEU C C 13 176.2805 0.008499999834 . . . . . . . 418 LEU C . 52766 1 1203 . 1 . 1 418 418 LEU CA C 13 53.6478 0.04432335728 . . . . . . . 418 LEU CA . 52766 1 1204 . 1 . 1 418 418 LEU CB C 13 40.611 0.07439085966 . . . . . . . 418 LEU CB . 52766 1 1205 . 1 . 1 418 418 LEU N N 15 116.8618333 0.009397103615 . . . . . . . 418 LEU N . 52766 1 1206 . 1 . 1 419 419 ALA H H 1 7.285 0.000000188 . . . . . . . 419 ALA H . 52766 1 1207 . 1 . 1 419 419 ALA C C 13 173.703 . . . . . . . . 419 ALA C . 52766 1 1208 . 1 . 1 419 419 ALA CA C 13 54.5905 0.003499999943 . . . . . . . 419 ALA CA . 52766 1 1209 . 1 . 1 419 419 ALA CB C 13 16.729 . . . . . . . . 419 ALA CB . 52766 1 1210 . 1 . 1 419 419 ALA N N 15 123.2874 0.007199999824 . . . . . . . 419 ALA N . 52766 1 1211 . 1 . 1 420 420 PRO C C 13 177.382 . . . . . . . . 420 PRO C . 52766 1 1212 . 1 . 1 420 420 PRO CA C 13 66.17166667 0.07318621607 . . . . . . . 420 PRO CA . 52766 1 1213 . 1 . 1 420 420 PRO CB C 13 30.42 . . . . . . . . 420 PRO CB . 52766 1 1214 . 1 . 1 421 421 SER H H 1 7.698555556 0.009117883662 . . . . . . . 421 SER H . 52766 1 1215 . 1 . 1 421 421 SER C C 13 173.8525 0.03049999994 . . . . . . . 421 SER C . 52766 1 1216 . 1 . 1 421 421 SER CA C 13 58.0844 0.05084722214 . . . . . . . 421 SER CA . 52766 1 1217 . 1 . 1 421 421 SER CB C 13 64.832 0.047 . . . . . . . 421 SER CB . 52766 1 1218 . 1 . 1 421 421 SER N N 15 106.7717778 0.05624703012 . . . . . . . 421 SER N . 52766 1 1219 . 1 . 1 422 422 ALA H H 1 8.309222222 0.006545189542 . . . . . . . 422 ALA H . 52766 1 1220 . 1 . 1 422 422 ALA C C 13 174.2293333 0.02592724875 . . . . . . . 422 ALA C . 52766 1 1221 . 1 . 1 422 422 ALA CA C 13 50.584 0.07137226352 . . . . . . . 422 ALA CA . 52766 1 1222 . 1 . 1 422 422 ALA CB C 13 18.415 . . . . . . . . 422 ALA CB . 52766 1 1223 . 1 . 1 422 422 ALA N N 15 126.5495556 0.04248165911 . . . . . . . 422 ALA N . 52766 1 1224 . 1 . 1 423 423 ALA H H 1 7.969777778 0.01194224786 . . . . . . . 423 ALA H . 52766 1 1225 . 1 . 1 423 423 ALA C C 13 175.968 0.01999999984 . . . . . . . 423 ALA C . 52766 1 1226 . 1 . 1 423 423 ALA CA C 13 53.815 0.07447147105 . . . . . . . 423 ALA CA . 52766 1 1227 . 1 . 1 423 423 ALA CB C 13 18.7505 0.0555 . . . . . . . 423 ALA CB . 52766 1 1228 . 1 . 1 423 423 ALA N N 15 123.8016667 0.08579562279 . . . . . . . 423 ALA N . 52766 1 1229 . 1 . 1 424 424 GLY H H 1 8.506714286 0.001749635531 . . . . . . . 424 GLY H . 52766 1 1230 . 1 . 1 424 424 GLY C C 13 173.1966667 0.004027683125 . . . . . . . 424 GLY C . 52766 1 1231 . 1 . 1 424 424 GLY CA C 13 43.36916667 0.08478878987 . . . . . . . 424 GLY CA . 52766 1 1232 . 1 . 1 424 424 GLY N N 15 102.915 0.004898979758 . . . . . . . 424 GLY N . 52766 1 1233 . 1 . 1 425 425 LEU H H 1 9.1322 0.002561249696 . . . . . . . 425 LEU H . 52766 1 1234 . 1 . 1 425 425 LEU C C 13 173.4136667 0.003681787135 . . . . . . . 425 LEU C . 52766 1 1235 . 1 . 1 425 425 LEU CA C 13 54.74715429 0.05472591845 . . . . . . . 425 LEU CA . 52766 1 1236 . 1 . 1 425 425 LEU CB C 13 45.82066667 0.1023403906 . . . . . . . 425 LEU CB . 52766 1 1237 . 1 . 1 425 425 LEU N N 15 123.8381 0.01796914023 . . . . . . . 425 LEU N . 52766 1 1238 . 1 . 1 426 426 LEU H H 1 9.199366369 0.0007337968366 . . . . . . . 426 LEU H . 52766 1 1239 . 1 . 1 426 426 LEU C C 13 173.8413333 0.0119536141 . . . . . . . 426 LEU C . 52766 1 1240 . 1 . 1 426 426 LEU CA C 13 54.54833333 0.0858150466 . . . . . . . 426 LEU CA . 52766 1 1241 . 1 . 1 426 426 LEU CB C 13 41.86033333 0.05535541728 . . . . . . . 426 LEU CB . 52766 1 1242 . 1 . 1 426 426 LEU N N 15 131.3521707 0.0005119836784 . . . . . . . 426 LEU N . 52766 1 1243 . 1 . 1 427 427 ALA H H 1 9.853916667 0.004662944949 . . . . . . . 427 ALA H . 52766 1 1244 . 1 . 1 427 427 ALA C C 13 176.2603333 0.006548961732 . . . . . . . 427 ALA C . 52766 1 1245 . 1 . 1 427 427 ALA CA C 13 49.5155 0.02422636306 . . . . . . . 427 ALA CA . 52766 1 1246 . 1 . 1 427 427 ALA CB C 13 25.10466667 0.07380304119 . . . . . . . 427 ALA CB . 52766 1 1247 . 1 . 1 427 427 ALA N N 15 129.43275 0.0174122799 . . . . . . . 427 ALA N . 52766 1 1248 . 1 . 1 428 428 ILE H H 1 9.034932389 0.00277793998 . . . . . . . 428 ILE H . 52766 1 1249 . 1 . 1 428 428 ILE C C 13 174.2906172 0.003224009398 . . . . . . . 428 ILE C . 52766 1 1250 . 1 . 1 428 428 ILE CA C 13 58.20116667 0.07116510537 . . . . . . . 428 ILE CA . 52766 1 1251 . 1 . 1 428 428 ILE CB C 13 41.568 0.092 . . . . . . . 428 ILE CB . 52766 1 1252 . 1 . 1 428 428 ILE N N 15 112.0982977 0.05053780006 . . . . . . . 428 ILE N . 52766 1 1253 . 1 . 1 429 429 SER H H 1 7.793772012 0.001022173812 . . . . . . . 429 SER H . 52766 1 1254 . 1 . 1 429 429 SER C C 13 175.1678517 . . . . . . . . 429 SER C . 52766 1 1255 . 1 . 1 429 429 SER CA C 13 55.7955 0.007500000027 . . . . . . . 429 SER CA . 52766 1 1256 . 1 . 1 429 429 SER CB C 13 62.129 . . . . . . . . 429 SER CB . 52766 1 1257 . 1 . 1 429 429 SER N N 15 118.2392315 0.03913960094 . . . . . . . 429 SER N . 52766 1 1258 . 1 . 1 434 434 TRP C C 13 175.441 . . . . . . . . 434 TRP C . 52766 1 1259 . 1 . 1 434 434 TRP CA C 13 58.3875 0.1075 . . . . . . . 434 TRP CA . 52766 1 1260 . 1 . 1 435 435 SER H H 1 7.906991719 0.002070296054 . . . . . . . 435 SER H . 52766 1 1261 . 1 . 1 435 435 SER C C 13 174.7974528 0.03945275731 . . . . . . . 435 SER C . 52766 1 1262 . 1 . 1 435 435 SER CA C 13 61.6106 0.07953514946 . . . . . . . 435 SER CA . 52766 1 1263 . 1 . 1 435 435 SER CB C 13 62.24371078 0.03871077816 . . . . . . . 435 SER CB . 52766 1 1264 . 1 . 1 435 435 SER N N 15 116.7054286 0.04304103404 . . . . . . . 435 SER N . 52766 1 1265 . 1 . 1 436 436 GLU H H 1 7.749061025 0.002354059402 . . . . . . . 436 GLU H . 52766 1 1266 . 1 . 1 436 436 GLU C C 13 175.8513333 0.01020892779 . . . . . . . 436 GLU C . 52766 1 1267 . 1 . 1 436 436 GLU CA C 13 54.1385 0.07161645528 . . . . . . . 436 GLU CA . 52766 1 1268 . 1 . 1 436 436 GLU CB C 13 30.07966667 0.03971845359 . . . . . . . 436 GLU CB . 52766 1 1269 . 1 . 1 436 436 GLU N N 15 119.4572433 0.0006238910846 . . . . . . . 436 GLU N . 52766 1 1270 . 1 . 1 437 437 CYS H H 1 8.983 0.0000001686 . . . . . . . 437 CYS H . 52766 1 1271 . 1 . 1 437 437 CYS C C 13 170.398 0.01186029793 . . . . . . . 437 CYS C . 52766 1 1272 . 1 . 1 437 437 CYS CA C 13 55.89566667 0.06524739246 . . . . . . . 437 CYS CA . 52766 1 1273 . 1 . 1 437 437 CYS CB C 13 30.114 0.051 . . . . . . . 437 CYS CB . 52766 1 1274 . 1 . 1 437 437 CYS N N 15 116.8583636 0.002012358116 . . . . . . . 437 CYS N . 52766 1 1275 . 1 . 1 438 438 LEU H H 1 8.108916667 0.0002763855231 . . . . . . . 438 LEU H . 52766 1 1276 . 1 . 1 438 438 LEU C C 13 175.387 0.01959591755 . . . . . . . 438 LEU C . 52766 1 1277 . 1 . 1 438 438 LEU CA C 13 54.35283333 0.03519193404 . . . . . . . 438 LEU CA . 52766 1 1278 . 1 . 1 438 438 LEU CB C 13 44.259 0.02438578819 . . . . . . . 438 LEU CB . 52766 1 1279 . 1 . 1 438 438 LEU N N 15 118.0776667 0.03771015193 . . . . . . . 438 LEU N . 52766 1 1280 . 1 . 1 439 439 VAL H H 1 8.61 0.00469041576 . . . . . . . 439 VAL H . 52766 1 1281 . 1 . 1 439 439 VAL C C 13 174.8055 0.006500000401 . . . . . . . 439 VAL C . 52766 1 1282 . 1 . 1 439 439 VAL CA C 13 60.37816667 0.06049081657 . . . . . . . 439 VAL CA . 52766 1 1283 . 1 . 1 439 439 VAL CB C 13 33.636 0.004000000023 . . . . . . . 439 VAL CB . 52766 1 1284 . 1 . 1 439 439 VAL N N 15 119.7345 0.01160818662 . . . . . . . 439 VAL N . 52766 1 1285 . 1 . 1 440 440 TRP H H 1 10.2866 0.001199999967 . . . . . . . 440 TRP H . 52766 1 1286 . 1 . 1 440 440 TRP C C 13 175.511 0.01061445564 . . . . . . . 440 TRP C . 52766 1 1287 . 1 . 1 440 440 TRP CA C 13 59.763 0.07559982363 . . . . . . . 440 TRP CA . 52766 1 1288 . 1 . 1 440 440 TRP CB C 13 31.0945 0.1205 . . . . . . . 440 TRP CB . 52766 1 1289 . 1 . 1 440 440 TRP N N 15 128.4909 0.02970000007 . . . . . . . 440 TRP N . 52766 1 1290 . 1 . 1 441 441 LEU H H 1 9.126818182 0.0005749595898 . . . . . . . 441 LEU H . 52766 1 1291 . 1 . 1 441 441 LEU C C 13 177.891 0.03799999997 . . . . . . . 441 LEU C . 52766 1 1292 . 1 . 1 441 441 LEU CA C 13 52.87054932 0.03710741383 . . . . . . . 441 LEU CA . 52766 1 1293 . 1 . 1 441 441 LEU CB C 13 44.83113194 0.02043470009 . . . . . . . 441 LEU CB . 52766 1 1294 . 1 . 1 441 441 LEU N N 15 120.0097273 0.01811122676 . . . . . . . 441 LEU N . 52766 1 1295 . 1 . 1 442 442 ARG H H 1 9.21043103 0.004179824666 . . . . . . . 442 ARG H . 52766 1 1296 . 1 . 1 442 442 ARG C C 13 173.167 . . . . . . . . 442 ARG C . 52766 1 1297 . 1 . 1 442 442 ARG CA C 13 53.07407399 0.005926011534 . . . . . . . 442 ARG CA . 52766 1 1298 . 1 . 1 442 442 ARG CB C 13 34.346 . . . . . . . . 442 ARG CB . 52766 1 1299 . 1 . 1 442 442 ARG N N 15 121.0291595 0.06456171083 . . . . . . . 442 ARG N . 52766 1 1300 . 1 . 1 443 443 PRO C C 13 175.035 0.03099999997 . . . . . . . 443 PRO C . 52766 1 1301 . 1 . 1 443 443 PRO CA C 13 61.4115 0.09826113168 . . . . . . . 443 PRO CA . 52766 1 1302 . 1 . 1 443 443 PRO CB C 13 33.4515 0.0665 . . . . . . . 443 PRO CB . 52766 1 1303 . 1 . 1 444 444 GLU H H 1 7.631815084 0.0006132957644 . . . . . . . 444 GLU H . 52766 1 1304 . 1 . 1 444 444 GLU C C 13 176.1576667 0.02449943324 . . . . . . . 444 GLU C . 52766 1 1305 . 1 . 1 444 444 GLU CA C 13 55.9356882 0.02646047053 . . . . . . . 444 GLU CA . 52766 1 1306 . 1 . 1 444 444 GLU CB C 13 29.31510054 0.0692089902 . . . . . . . 444 GLU CB . 52766 1 1307 . 1 . 1 444 444 GLU N N 15 118.0963145 0.02101106049 . . . . . . . 444 GLU N . 52766 1 1308 . 1 . 1 445 445 LEU H H 1 9.223887231 0.00122144414 . . . . . . . 445 LEU H . 52766 1 1309 . 1 . 1 445 445 LEU C C 13 176.466 0.0130000001 . . . . . . . 445 LEU C . 52766 1 1310 . 1 . 1 445 445 LEU CA C 13 56.18246141 0.03749466081 . . . . . . . 445 LEU CA . 52766 1 1311 . 1 . 1 445 445 LEU CB C 13 42.259 0.07961574384 . . . . . . . 445 LEU CB . 52766 1 1312 . 1 . 1 445 445 LEU N N 15 125.8833131 0.0004782750385 . . . . . . . 445 LEU N . 52766 1 1313 . 1 . 1 446 446 ARG H H 1 8.253 0.000000119 . . . . . . . 446 ARG H . 52766 1 1314 . 1 . 1 446 446 ARG C C 13 174.88 0.02483277407 . . . . . . . 446 ARG C . 52766 1 1315 . 1 . 1 446 446 ARG CA C 13 54.9315 0.08142634709 . . . . . . . 446 ARG CA . 52766 1 1316 . 1 . 1 446 446 ARG CB C 13 30.897 0.1253501762 . . . . . . . 446 ARG CB . 52766 1 1317 . 1 . 1 446 446 ARG N N 15 125.0627 0.0008999977674 . . . . . . . 446 ARG N . 52766 1 1318 . 1 . 1 447 447 LEU H H 1 8.153833333 0.001462494064 . . . . . . . 447 LEU H . 52766 1 1319 . 1 . 1 447 447 LEU C C 13 175.7615 0.007499999693 . . . . . . . 447 LEU C . 52766 1 1320 . 1 . 1 447 447 LEU CA C 13 53.78550106 0.03442910907 . . . . . . . 447 LEU CA . 52766 1 1321 . 1 . 1 447 447 LEU CB C 13 44.67833333 0.07448191429 . . . . . . . 447 LEU CB . 52766 1 1322 . 1 . 1 447 447 LEU N N 15 123.9805 0.03784067466 . . . . . . . 447 LEU N . 52766 1 1323 . 1 . 1 448 448 GLU H H 1 8.436640608 0.002269871116 . . . . . . . 448 GLU H . 52766 1 1324 . 1 . 1 448 448 GLU C C 13 176.069 0.01430617596 . . . . . . . 448 GLU C . 52766 1 1325 . 1 . 1 448 448 GLU CA C 13 54.2383957 0.04958191205 . . . . . . . 448 GLU CA . 52766 1 1326 . 1 . 1 448 448 GLU CB C 13 31.0815 0.0665 . . . . . . . 448 GLU CB . 52766 1 1327 . 1 . 1 448 448 GLU N N 15 121.2222419 0.04316099321 . . . . . . . 448 GLU N . 52766 1 1328 . 1 . 1 449 449 VAL H H 1 8.11293723 0.002245350513 . . . . . . . 449 VAL H . 52766 1 1329 . 1 . 1 449 449 VAL C C 13 178.1203333 0.0774654045 . . . . . . . 449 VAL C . 52766 1 1330 . 1 . 1 449 449 VAL CA C 13 60.78966667 0.01322455629 . . . . . . . 449 VAL CA . 52766 1 1331 . 1 . 1 449 449 VAL CB C 13 30.915 0.027 . . . . . . . 449 VAL CB . 52766 1 1332 . 1 . 1 449 449 VAL N N 15 116.7228833 0.0002475000751 . . . . . . . 449 VAL N . 52766 1 1333 . 1 . 1 450 450 ALA H H 1 8.247194134 0.005653710311 . . . . . . . 450 ALA H . 52766 1 1334 . 1 . 1 450 450 ALA CA C 13 53.78709959 0.01187757174 . . . . . . . 450 ALA CA . 52766 1 1335 . 1 . 1 450 450 ALA CB C 13 19.06688577 . . . . . . . . 450 ALA CB . 52766 1 1336 . 1 . 1 450 450 ALA N N 15 126.6170927 0.09316188061 . . . . . . . 450 ALA N . 52766 1 1337 . 1 . 1 467 467 HIS C C 13 179.764 . . . . . . . . 467 HIS C . 52766 1 1338 . 1 . 1 467 467 HIS CA C 13 59.41516333 0.05183667378 . . . . . . . 467 HIS CA . 52766 1 1339 . 1 . 1 468 468 SER H H 1 9.765876689 0.001931223277 . . . . . . . 468 SER H . 52766 1 1340 . 1 . 1 468 468 SER C C 13 175.709984 0.003053535897 . . . . . . . 468 SER C . 52766 1 1341 . 1 . 1 468 468 SER CA C 13 64.12680805 0.01542777358 . . . . . . . 468 SER CA . 52766 1 1342 . 1 . 1 468 468 SER CB C 13 62.37317964 0.01785556637 . . . . . . . 468 SER CB . 52766 1 1343 . 1 . 1 468 468 SER N N 15 120.976 0 . . . . . . . 468 SER N . 52766 1 1344 . 1 . 1 469 469 PHE H H 1 9.385760435 0.001910656623 . . . . . . . 469 PHE H . 52766 1 1345 . 1 . 1 469 469 PHE C C 13 177.2995784 0.02827180911 . . . . . . . 469 PHE C . 52766 1 1346 . 1 . 1 469 469 PHE CA C 13 61.3451875 0.05274012631 . . . . . . . 469 PHE CA . 52766 1 1347 . 1 . 1 469 469 PHE CB C 13 38.87905906 0.07993572919 . . . . . . . 469 PHE CB . 52766 1 1348 . 1 . 1 469 469 PHE N N 15 125.23125 0.05256602992 . . . . . . . 469 PHE N . 52766 1 1349 . 1 . 1 470 470 ASP H H 1 8.693333333 0.001105541598 . . . . . . . 470 ASP H . 52766 1 1350 . 1 . 1 470 470 ASP C C 13 179.783 0.004999999755 . . . . . . . 470 ASP C . 52766 1 1351 . 1 . 1 470 470 ASP CA C 13 57.50721533 0.04512128632 . . . . . . . 470 ASP CA . 52766 1 1352 . 1 . 1 470 470 ASP CB C 13 39.76513421 0.001865794522 . . . . . . . 470 ASP CB . 52766 1 1353 . 1 . 1 470 470 ASP N N 15 118.773 0.00000301578 . . . . . . . 470 ASP N . 52766 1 1354 . 1 . 1 471 471 THR H H 1 8.287277341 0.001568670838 . . . . . . . 471 THR H . 52766 1 1355 . 1 . 1 471 471 THR C C 13 175.8061832 0.007063069601 . . . . . . . 471 THR C . 52766 1 1356 . 1 . 1 471 471 THR CA C 13 66.52133333 0.04212943018 . . . . . . . 471 THR CA . 52766 1 1357 . 1 . 1 471 471 THR CB C 13 67.96941274 0.0774127359 . . . . . . . 471 THR CB . 52766 1 1358 . 1 . 1 471 471 THR N N 15 117.40775 0.004630064743 . . . . . . . 471 THR N . 52766 1 1359 . 1 . 1 472 472 TYR H H 1 8.547468399 0.006900303536 . . . . . . . 472 TYR H . 52766 1 1360 . 1 . 1 472 472 TYR C C 13 176.261399 0.009648205369 . . . . . . . 472 TYR C . 52766 1 1361 . 1 . 1 472 472 TYR CA C 13 62.42164713 0.0115494196 . . . . . . . 472 TYR CA . 52766 1 1362 . 1 . 1 472 472 TYR CB C 13 37.44725436 0.02874563851 . . . . . . . 472 TYR CB . 52766 1 1363 . 1 . 1 472 472 TYR N N 15 124.36425 0.09974436076 . . . . . . . 472 TYR N . 52766 1 1364 . 1 . 1 473 473 LEU H H 1 8.381959885 0.003800421336 . . . . . . . 473 LEU H . 52766 1 1365 . 1 . 1 473 473 LEU C C 13 180.5542919 0.02734233622 . . . . . . . 473 LEU C . 52766 1 1366 . 1 . 1 473 473 LEU CA C 13 57.22276315 0.06311015195 . . . . . . . 473 LEU CA . 52766 1 1367 . 1 . 1 473 473 LEU CB C 13 40.55659236 0.04240764332 . . . . . . . 473 LEU CB . 52766 1 1368 . 1 . 1 473 473 LEU N N 15 117.3902805 0.02227754454 . . . . . . . 473 LEU N . 52766 1 1369 . 1 . 1 474 474 GLU H H 1 7.909172876 0.001436473438 . . . . . . . 474 GLU H . 52766 1 1370 . 1 . 1 474 474 GLU C C 13 179.7875 0.0004999946276 . . . . . . . 474 GLU C . 52766 1 1371 . 1 . 1 474 474 GLU CA C 13 58.87825 0.06837899897 . . . . . . . 474 GLU CA . 52766 1 1372 . 1 . 1 474 474 GLU CB C 13 28.81213419 0.02286580665 . . . . . . . 474 GLU CB . 52766 1 1373 . 1 . 1 474 474 GLU N N 15 119.5939725 0.0000335 . . . . . . . 474 GLU N . 52766 1 1374 . 1 . 1 475 475 GLU H H 1 8.104674701 0.0008606590221 . . . . . . . 475 GLU H . 52766 1 1375 . 1 . 1 475 475 GLU C C 13 178.6638759 0.002124089413 . . . . . . . 475 GLU C . 52766 1 1376 . 1 . 1 475 475 GLU CA C 13 58.32282947 0.01453000352 . . . . . . . 475 GLU CA . 52766 1 1377 . 1 . 1 475 475 GLU CB C 13 28.66344713 0.01538479503 . . . . . . . 475 GLU CB . 52766 1 1378 . 1 . 1 475 475 GLU N N 15 119.32 0.000001907 . . . . . . . 475 GLU N . 52766 1 1379 . 1 . 1 476 476 LYS H H 1 7.409243984 0.002208739136 . . . . . . . 476 LYS H . 52766 1 1380 . 1 . 1 476 476 LYS C C 13 176.3435 0.02749999999 . . . . . . . 476 LYS C . 52766 1 1381 . 1 . 1 476 476 LYS CA C 13 52.81952878 0.04148511316 . . . . . . . 476 LYS CA . 52766 1 1382 . 1 . 1 476 476 LYS CB C 13 29.2895 0.0535 . . . . . . . 476 LYS CB . 52766 1 1383 . 1 . 1 476 476 LYS N N 15 115.9158016 0.03504112979 . . . . . . . 476 LYS N . 52766 1 1384 . 1 . 1 477 477 ARG H H 1 7.216875 0.0003307189054 . . . . . . . 477 ARG H . 52766 1 1385 . 1 . 1 477 477 ARG C C 13 178.3466667 0.01730767351 . . . . . . . 477 ARG C . 52766 1 1386 . 1 . 1 477 477 ARG CA C 13 58.02870723 0.02592317078 . . . . . . . 477 ARG CA . 52766 1 1387 . 1 . 1 477 477 ARG CB C 13 28.6935 0.006499999998 . . . . . . . 477 ARG CB . 52766 1 1388 . 1 . 1 477 477 ARG N N 15 124.379125 0.000330717423 . . . . . . . 477 ARG N . 52766 1 1389 . 1 . 1 478 478 GLY H H 1 10.04831199 0.002578479107 . . . . . . . 478 GLY H . 52766 1 1390 . 1 . 1 478 478 GLY C C 13 172.8765 0.004499999347 . . . . . . . 478 GLY C . 52766 1 1391 . 1 . 1 478 478 GLY CA C 13 45.15030508 0.02538468345 . . . . . . . 478 GLY CA . 52766 1 1392 . 1 . 1 478 478 GLY N N 15 115.3549828 0.000026 . . . . . . . 478 GLY N . 52766 1 1393 . 1 . 1 479 479 TYR H H 1 8.225099928 0.0000774 . . . . . . . 479 TYR H . 52766 1 1394 . 1 . 1 479 479 TYR C C 13 175.991 0.003000001114 . . . . . . . 479 TYR C . 52766 1 1395 . 1 . 1 479 479 TYR CA C 13 56.74918018 0.03009740933 . . . . . . . 479 TYR CA . 52766 1 1396 . 1 . 1 479 479 TYR CB C 13 39.3668114 0.0553748269 . . . . . . . 479 TYR CB . 52766 1 1397 . 1 . 1 479 479 TYR N N 15 118.2266974 0.0002343866847 . . . . . . . 479 TYR N . 52766 1 1398 . 1 . 1 480 480 ALA H H 1 9.018853769 0.0004372135544 . . . . . . . 480 ALA H . 52766 1 1399 . 1 . 1 480 480 ALA C C 13 177.3535 0.02850000001 . . . . . . . 480 ALA C . 52766 1 1400 . 1 . 1 480 480 ALA CA C 13 49.2576901 0.02285798495 . . . . . . . 480 ALA CA . 52766 1 1401 . 1 . 1 480 480 ALA CB C 13 22.47066667 0.1091309102 . . . . . . . 480 ALA CB . 52766 1 1402 . 1 . 1 480 480 ALA N N 15 122.8695033 0.01722216481 . . . . . . . 480 ALA N . 52766 1 1403 . 1 . 1 481 481 GLU H H 1 8.722538841 0.0007530698029 . . . . . . . 481 GLU H . 52766 1 1404 . 1 . 1 481 481 GLU C C 13 175.777 . . . . . . . . 481 GLU C . 52766 1 1405 . 1 . 1 481 481 GLU CA C 13 54.276 0.01100000002 . . . . . . . 481 GLU CA . 52766 1 1406 . 1 . 1 481 481 GLU CB C 13 28.567 . . . . . . . . 481 GLU CB . 52766 1 1407 . 1 . 1 481 481 GLU N N 15 120.9610947 0.0001545658657 . . . . . . . 481 GLU N . 52766 1 1408 . 1 . 1 493 493 ASP C C 13 180.144 . . . . . . . . 493 ASP C . 52766 1 1409 . 1 . 1 493 493 ASP CA C 13 57.134 . . . . . . . . 493 ASP CA . 52766 1 1410 . 1 . 1 493 493 ASP CB C 13 39.526 . . . . . . . . 493 ASP CB . 52766 1 1411 . 1 . 1 494 494 LEU H H 1 9.624845099 0.002502213145 . . . . . . . 494 LEU H . 52766 1 1412 . 1 . 1 494 494 LEU C C 13 178.562368 0.004066603714 . . . . . . . 494 LEU C . 52766 1 1413 . 1 . 1 494 494 LEU CA C 13 57.65095211 0.03357086807 . . . . . . . 494 LEU CA . 52766 1 1414 . 1 . 1 494 494 LEU CB C 13 40.21787039 0.02960683673 . . . . . . . 494 LEU CB . 52766 1 1415 . 1 . 1 494 494 LEU N N 15 123.8322743 0.0004342329566 . . . . . . . 494 LEU N . 52766 1 1416 . 1 . 1 495 495 ARG H H 1 8.65522871 0.002118842841 . . . . . . . 495 ARG H . 52766 1 1417 . 1 . 1 495 495 ARG C C 13 179.3782857 0.0002857333029 . . . . . . . 495 ARG C . 52766 1 1418 . 1 . 1 495 495 ARG CA C 13 60.53915243 0.01395495376 . . . . . . . 495 ARG CA . 52766 1 1419 . 1 . 1 495 495 ARG CB C 13 28.13866667 0.1055946127 . . . . . . . 495 ARG CB . 52766 1 1420 . 1 . 1 495 495 ARG N N 15 121.0848504 0.0174798654 . . . . . . . 495 ARG N . 52766 1 1421 . 1 . 1 496 496 ASP H H 1 8.103881919 0.002065671582 . . . . . . . 496 ASP H . 52766 1 1422 . 1 . 1 496 496 ASP C C 13 179.2423333 0.01065624501 . . . . . . . 496 ASP C . 52766 1 1423 . 1 . 1 496 496 ASP CA C 13 57.72417719 0.06680812724 . . . . . . . 496 ASP CA . 52766 1 1424 . 1 . 1 496 496 ASP CB C 13 39.675 0.06427026269 . . . . . . . 496 ASP CB . 52766 1 1425 . 1 . 1 496 496 ASP N N 15 122.1843675 0.04481800996 . . . . . . . 496 ASP N . 52766 1 1426 . 1 . 1 497 497 THR H H 1 8.714 0.000000119 . . . . . . . 497 THR H . 52766 1 1427 . 1 . 1 497 497 THR C C 13 177.1201532 0.02344361993 . . . . . . . 497 THR C . 52766 1 1428 . 1 . 1 497 497 THR CA C 13 66.35529133 0.02715879703 . . . . . . . 497 THR CA . 52766 1 1429 . 1 . 1 497 497 THR CB C 13 68.44261226 0.01956747398 . . . . . . . 497 THR CB . 52766 1 1430 . 1 . 1 497 497 THR N N 15 119.594 0.0000033 . . . . . . . 497 THR N . 52766 1 1431 . 1 . 1 498 498 LEU H H 1 9.076419383 0.003155306012 . . . . . . . 498 LEU H . 52766 1 1432 . 1 . 1 498 498 LEU C C 13 178.3372814 0.002281350031 . . . . . . . 498 LEU C . 52766 1 1433 . 1 . 1 498 498 LEU CA C 13 57.40039073 0.03884675007 . . . . . . . 498 LEU CA . 52766 1 1434 . 1 . 1 498 498 LEU CB C 13 40.929 0 . . . . . . . 498 LEU CB . 52766 1 1435 . 1 . 1 498 498 LEU N N 15 120.389733 0.02729024652 . . . . . . . 498 LEU N . 52766 1 1436 . 1 . 1 499 499 THR H H 1 8.486347124 0.003993165873 . . . . . . . 499 THR H . 52766 1 1437 . 1 . 1 499 499 THR C C 13 176.874 0.02616613586 . . . . . . . 499 THR C . 52766 1 1438 . 1 . 1 499 499 THR CA C 13 66.53962469 0.03507529621 . . . . . . . 499 THR CA . 52766 1 1439 . 1 . 1 499 499 THR CB C 13 68.52766667 0.06843163662 . . . . . . . 499 THR CB . 52766 1 1440 . 1 . 1 499 499 THR N N 15 115.0892733 0.01411928755 . . . . . . . 499 THR N . 52766 1 1441 . 1 . 1 500 500 GLY H H 1 7.832680126 0.007110660758 . . . . . . . 500 GLY H . 52766 1 1442 . 1 . 1 500 500 GLY C C 13 175.4946667 0.02361261425 . . . . . . . 500 GLY C . 52766 1 1443 . 1 . 1 500 500 GLY CA C 13 46.30335751 0.02174966399 . . . . . . . 500 GLY CA . 52766 1 1444 . 1 . 1 500 500 GLY N N 15 107.1500815 0.03353197745 . . . . . . . 500 GLY N . 52766 1 1445 . 1 . 1 501 501 ALA H H 1 7.983670915 0.001028921468 . . . . . . . 501 ALA H . 52766 1 1446 . 1 . 1 501 501 ALA C C 13 178.989 . . . . . . . . 501 ALA C . 52766 1 1447 . 1 . 1 501 501 ALA CA C 13 53.6095 0.01050000002 . . . . . . . 501 ALA CA . 52766 1 1448 . 1 . 1 501 501 ALA CB C 13 18.446 . . . . . . . . 501 ALA CB . 52766 1 1449 . 1 . 1 501 501 ALA N N 15 122.8793458 0.0125546882 . . . . . . . 501 ALA N . 52766 1 stop_ save_