data_51105 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51105 _Entry.Title ; Ybt Cy1 D391N ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-27 _Entry.Accession_date 2021-09-27 _Entry.Last_release_date 2021-09-27 _Entry.Original_release_date 2021-09-27 _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 'Chemical shift assignment of the first heterocyclization domain mutant D391N from yersiniabactin synthetase' _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 Kenneth Marincin . A. . 0000-0001-6466-8518 51105 2 Subrata Mishra . H. . 0000-0002-1515-3427 51105 3 Dominique Frueh . P. . 0000-0003-4605-3776 51105 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51105 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 709 51105 '15N chemical shifts' 356 51105 '1H chemical shifts' 356 51105 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-07-20 2021-09-27 update author 'update entry citation' 51105 1 . . 2022-07-08 2021-09-27 original author 'original release' 51105 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51105 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35857508 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Global protein dynamics as communication sensors in peptide synthetase domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 8 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eabn6549 _Citation.Page_last eabn6549 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Subrata Mishra . H. . . 51105 1 2 Aswani Kancherla . K. . . 51105 1 3 Kenneth Marincin . A. . . 51105 1 4 Guillaume Bouvignies . . . . 51105 1 5 Santrupti Nerli . . . . 51105 1 6 Nikolaos Sgourakis . . . . 51105 1 7 Daniel Dowling . P. . . 51105 1 8 Dominique Frueh . P. . . 51105 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51105 _Assembly.ID 1 _Assembly.Name 'Ybt Cy1 D391N' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Cy1 D391N' 1 $entity_1 . . yes native no no . . . 51105 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Heterocyclization 51105 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51105 _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 ; MPDESSWPNMTESTPFPLTP VQHAYLTGRMPGQTLGGVGC HLYQEFEGHCLTASQLEQAI TTLLQRHPMLHIAFRPDGQQ VWLPQPYWNGVTVHDLRHND AESRQAYLDALRQRLSHRLL RVEIGETFDFQLTLLPDNRH RLHVNIDLLIMDASSFTLFF DELNALLAGESLPAIDTRYD FRSYLLHQQKINQPLRDDAR AYWLAKASTLPPAPVLPLAC EPATLREVRNTRRRMIVPAT RWHAFSNRAGEYGVTPTMAL ATCFSAVLARWGGLTRLLLN ITLFDRQPLHPAVGAMLADF TNILLLDTACDGDTVSNLAR KNQLTFTEDWEHRHWSGVEL LRELKRQQRYPHGAPVVFTS NLGRSLYSSRAESPLGEPEW GISQTPQVWINHLAFEHHGE VWLQWDSNDALFPPALVETL FDAYCQLINQLCDDESAWQK PFADMLEHHHHHH ; _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 453 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation D391N _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51105 1 2 . PRO . 51105 1 3 . ASP . 51105 1 4 . GLU . 51105 1 5 . SER . 51105 1 6 . SER . 51105 1 7 . TRP . 51105 1 8 . PRO . 51105 1 9 . ASN . 51105 1 10 . MET . 51105 1 11 . THR . 51105 1 12 . GLU . 51105 1 13 . SER . 51105 1 14 . THR . 51105 1 15 . PRO . 51105 1 16 . PHE . 51105 1 17 . PRO . 51105 1 18 . LEU . 51105 1 19 . THR . 51105 1 20 . PRO . 51105 1 21 . VAL . 51105 1 22 . GLN . 51105 1 23 . HIS . 51105 1 24 . ALA . 51105 1 25 . TYR . 51105 1 26 . LEU . 51105 1 27 . THR . 51105 1 28 . GLY . 51105 1 29 . ARG . 51105 1 30 . MET . 51105 1 31 . PRO . 51105 1 32 . GLY . 51105 1 33 . GLN . 51105 1 34 . THR . 51105 1 35 . LEU . 51105 1 36 . GLY . 51105 1 37 . GLY . 51105 1 38 . VAL . 51105 1 39 . GLY . 51105 1 40 . CYS . 51105 1 41 . HIS . 51105 1 42 . LEU . 51105 1 43 . TYR . 51105 1 44 . GLN . 51105 1 45 . GLU . 51105 1 46 . PHE . 51105 1 47 . GLU . 51105 1 48 . GLY . 51105 1 49 . HIS . 51105 1 50 . CYS . 51105 1 51 . LEU . 51105 1 52 . THR . 51105 1 53 . ALA . 51105 1 54 . SER . 51105 1 55 . GLN . 51105 1 56 . LEU . 51105 1 57 . GLU . 51105 1 58 . GLN . 51105 1 59 . ALA . 51105 1 60 . ILE . 51105 1 61 . THR . 51105 1 62 . THR . 51105 1 63 . LEU . 51105 1 64 . LEU . 51105 1 65 . GLN . 51105 1 66 . ARG . 51105 1 67 . HIS . 51105 1 68 . PRO . 51105 1 69 . MET . 51105 1 70 . LEU . 51105 1 71 . HIS . 51105 1 72 . ILE . 51105 1 73 . ALA . 51105 1 74 . PHE . 51105 1 75 . ARG . 51105 1 76 . PRO . 51105 1 77 . ASP . 51105 1 78 . GLY . 51105 1 79 . GLN . 51105 1 80 . GLN . 51105 1 81 . VAL . 51105 1 82 . TRP . 51105 1 83 . LEU . 51105 1 84 . PRO . 51105 1 85 . GLN . 51105 1 86 . PRO . 51105 1 87 . TYR . 51105 1 88 . TRP . 51105 1 89 . ASN . 51105 1 90 . GLY . 51105 1 91 . VAL . 51105 1 92 . THR . 51105 1 93 . VAL . 51105 1 94 . HIS . 51105 1 95 . ASP . 51105 1 96 . LEU . 51105 1 97 . ARG . 51105 1 98 . HIS . 51105 1 99 . ASN . 51105 1 100 . ASP . 51105 1 101 . ALA . 51105 1 102 . GLU . 51105 1 103 . SER . 51105 1 104 . ARG . 51105 1 105 . GLN . 51105 1 106 . ALA . 51105 1 107 . TYR . 51105 1 108 . LEU . 51105 1 109 . ASP . 51105 1 110 . ALA . 51105 1 111 . LEU . 51105 1 112 . ARG . 51105 1 113 . GLN . 51105 1 114 . ARG . 51105 1 115 . LEU . 51105 1 116 . SER . 51105 1 117 . HIS . 51105 1 118 . ARG . 51105 1 119 . LEU . 51105 1 120 . LEU . 51105 1 121 . ARG . 51105 1 122 . VAL . 51105 1 123 . GLU . 51105 1 124 . ILE . 51105 1 125 . GLY . 51105 1 126 . GLU . 51105 1 127 . THR . 51105 1 128 . PHE . 51105 1 129 . ASP . 51105 1 130 . PHE . 51105 1 131 . GLN . 51105 1 132 . LEU . 51105 1 133 . THR . 51105 1 134 . LEU . 51105 1 135 . LEU . 51105 1 136 . PRO . 51105 1 137 . ASP . 51105 1 138 . ASN . 51105 1 139 . ARG . 51105 1 140 . HIS . 51105 1 141 . ARG . 51105 1 142 . LEU . 51105 1 143 . HIS . 51105 1 144 . VAL . 51105 1 145 . ASN . 51105 1 146 . ILE . 51105 1 147 . ASP . 51105 1 148 . LEU . 51105 1 149 . LEU . 51105 1 150 . ILE . 51105 1 151 . MET . 51105 1 152 . ASP . 51105 1 153 . ALA . 51105 1 154 . SER . 51105 1 155 . SER . 51105 1 156 . PHE . 51105 1 157 . THR . 51105 1 158 . LEU . 51105 1 159 . PHE . 51105 1 160 . PHE . 51105 1 161 . ASP . 51105 1 162 . GLU . 51105 1 163 . LEU . 51105 1 164 . ASN . 51105 1 165 . ALA . 51105 1 166 . LEU . 51105 1 167 . LEU . 51105 1 168 . ALA . 51105 1 169 . GLY . 51105 1 170 . GLU . 51105 1 171 . SER . 51105 1 172 . LEU . 51105 1 173 . PRO . 51105 1 174 . ALA . 51105 1 175 . ILE . 51105 1 176 . ASP . 51105 1 177 . THR . 51105 1 178 . ARG . 51105 1 179 . TYR . 51105 1 180 . ASP . 51105 1 181 . PHE . 51105 1 182 . ARG . 51105 1 183 . SER . 51105 1 184 . TYR . 51105 1 185 . LEU . 51105 1 186 . LEU . 51105 1 187 . HIS . 51105 1 188 . GLN . 51105 1 189 . GLN . 51105 1 190 . LYS . 51105 1 191 . ILE . 51105 1 192 . ASN . 51105 1 193 . GLN . 51105 1 194 . PRO . 51105 1 195 . LEU . 51105 1 196 . ARG . 51105 1 197 . ASP . 51105 1 198 . ASP . 51105 1 199 . ALA . 51105 1 200 . ARG . 51105 1 201 . ALA . 51105 1 202 . TYR . 51105 1 203 . TRP . 51105 1 204 . LEU . 51105 1 205 . ALA . 51105 1 206 . LYS . 51105 1 207 . ALA . 51105 1 208 . SER . 51105 1 209 . THR . 51105 1 210 . LEU . 51105 1 211 . PRO . 51105 1 212 . PRO . 51105 1 213 . ALA . 51105 1 214 . PRO . 51105 1 215 . VAL . 51105 1 216 . LEU . 51105 1 217 . PRO . 51105 1 218 . LEU . 51105 1 219 . ALA . 51105 1 220 . CYS . 51105 1 221 . GLU . 51105 1 222 . PRO . 51105 1 223 . ALA . 51105 1 224 . THR . 51105 1 225 . LEU . 51105 1 226 . ARG . 51105 1 227 . GLU . 51105 1 228 . VAL . 51105 1 229 . ARG . 51105 1 230 . ASN . 51105 1 231 . THR . 51105 1 232 . ARG . 51105 1 233 . ARG . 51105 1 234 . ARG . 51105 1 235 . MET . 51105 1 236 . ILE . 51105 1 237 . VAL . 51105 1 238 . PRO . 51105 1 239 . ALA . 51105 1 240 . THR . 51105 1 241 . ARG . 51105 1 242 . TRP . 51105 1 243 . HIS . 51105 1 244 . ALA . 51105 1 245 . PHE . 51105 1 246 . SER . 51105 1 247 . ASN . 51105 1 248 . ARG . 51105 1 249 . ALA . 51105 1 250 . GLY . 51105 1 251 . GLU . 51105 1 252 . TYR . 51105 1 253 . GLY . 51105 1 254 . VAL . 51105 1 255 . THR . 51105 1 256 . PRO . 51105 1 257 . THR . 51105 1 258 . MET . 51105 1 259 . ALA . 51105 1 260 . LEU . 51105 1 261 . ALA . 51105 1 262 . THR . 51105 1 263 . CYS . 51105 1 264 . PHE . 51105 1 265 . SER . 51105 1 266 . ALA . 51105 1 267 . VAL . 51105 1 268 . LEU . 51105 1 269 . ALA . 51105 1 270 . ARG . 51105 1 271 . TRP . 51105 1 272 . GLY . 51105 1 273 . GLY . 51105 1 274 . LEU . 51105 1 275 . THR . 51105 1 276 . ARG . 51105 1 277 . LEU . 51105 1 278 . LEU . 51105 1 279 . LEU . 51105 1 280 . ASN . 51105 1 281 . ILE . 51105 1 282 . THR . 51105 1 283 . LEU . 51105 1 284 . PHE . 51105 1 285 . ASP . 51105 1 286 . ARG . 51105 1 287 . GLN . 51105 1 288 . PRO . 51105 1 289 . LEU . 51105 1 290 . HIS . 51105 1 291 . PRO . 51105 1 292 . ALA . 51105 1 293 . VAL . 51105 1 294 . GLY . 51105 1 295 . ALA . 51105 1 296 . MET . 51105 1 297 . LEU . 51105 1 298 . ALA . 51105 1 299 . ASP . 51105 1 300 . PHE . 51105 1 301 . THR . 51105 1 302 . ASN . 51105 1 303 . ILE . 51105 1 304 . LEU . 51105 1 305 . LEU . 51105 1 306 . LEU . 51105 1 307 . ASP . 51105 1 308 . THR . 51105 1 309 . ALA . 51105 1 310 . CYS . 51105 1 311 . ASP . 51105 1 312 . GLY . 51105 1 313 . ASP . 51105 1 314 . THR . 51105 1 315 . VAL . 51105 1 316 . SER . 51105 1 317 . ASN . 51105 1 318 . LEU . 51105 1 319 . ALA . 51105 1 320 . ARG . 51105 1 321 . LYS . 51105 1 322 . ASN . 51105 1 323 . GLN . 51105 1 324 . LEU . 51105 1 325 . THR . 51105 1 326 . PHE . 51105 1 327 . THR . 51105 1 328 . GLU . 51105 1 329 . ASP . 51105 1 330 . TRP . 51105 1 331 . GLU . 51105 1 332 . HIS . 51105 1 333 . ARG . 51105 1 334 . HIS . 51105 1 335 . TRP . 51105 1 336 . SER . 51105 1 337 . GLY . 51105 1 338 . VAL . 51105 1 339 . GLU . 51105 1 340 . LEU . 51105 1 341 . LEU . 51105 1 342 . ARG . 51105 1 343 . GLU . 51105 1 344 . LEU . 51105 1 345 . LYS . 51105 1 346 . ARG . 51105 1 347 . GLN . 51105 1 348 . GLN . 51105 1 349 . ARG . 51105 1 350 . TYR . 51105 1 351 . PRO . 51105 1 352 . HIS . 51105 1 353 . GLY . 51105 1 354 . ALA . 51105 1 355 . PRO . 51105 1 356 . VAL . 51105 1 357 . VAL . 51105 1 358 . PHE . 51105 1 359 . THR . 51105 1 360 . SER . 51105 1 361 . ASN . 51105 1 362 . LEU . 51105 1 363 . GLY . 51105 1 364 . ARG . 51105 1 365 . SER . 51105 1 366 . LEU . 51105 1 367 . TYR . 51105 1 368 . SER . 51105 1 369 . SER . 51105 1 370 . ARG . 51105 1 371 . ALA . 51105 1 372 . GLU . 51105 1 373 . SER . 51105 1 374 . PRO . 51105 1 375 . LEU . 51105 1 376 . GLY . 51105 1 377 . GLU . 51105 1 378 . PRO . 51105 1 379 . GLU . 51105 1 380 . TRP . 51105 1 381 . GLY . 51105 1 382 . ILE . 51105 1 383 . SER . 51105 1 384 . GLN . 51105 1 385 . THR . 51105 1 386 . PRO . 51105 1 387 . GLN . 51105 1 388 . VAL . 51105 1 389 . TRP . 51105 1 390 . ILE . 51105 1 391 . ASN . 51105 1 392 . HIS . 51105 1 393 . LEU . 51105 1 394 . ALA . 51105 1 395 . PHE . 51105 1 396 . GLU . 51105 1 397 . HIS . 51105 1 398 . HIS . 51105 1 399 . GLY . 51105 1 400 . GLU . 51105 1 401 . VAL . 51105 1 402 . TRP . 51105 1 403 . LEU . 51105 1 404 . GLN . 51105 1 405 . TRP . 51105 1 406 . ASP . 51105 1 407 . SER . 51105 1 408 . ASN . 51105 1 409 . ASP . 51105 1 410 . ALA . 51105 1 411 . LEU . 51105 1 412 . PHE . 51105 1 413 . PRO . 51105 1 414 . PRO . 51105 1 415 . ALA . 51105 1 416 . LEU . 51105 1 417 . VAL . 51105 1 418 . GLU . 51105 1 419 . THR . 51105 1 420 . LEU . 51105 1 421 . PHE . 51105 1 422 . ASP . 51105 1 423 . ALA . 51105 1 424 . TYR . 51105 1 425 . CYS . 51105 1 426 . GLN . 51105 1 427 . LEU . 51105 1 428 . ILE . 51105 1 429 . ASN . 51105 1 430 . GLN . 51105 1 431 . LEU . 51105 1 432 . CYS . 51105 1 433 . ASP . 51105 1 434 . ASP . 51105 1 435 . GLU . 51105 1 436 . SER . 51105 1 437 . ALA . 51105 1 438 . TRP . 51105 1 439 . GLN . 51105 1 440 . LYS . 51105 1 441 . PRO . 51105 1 442 . PHE . 51105 1 443 . ALA . 51105 1 444 . ASP . 51105 1 445 . MET . 51105 1 446 . LEU . 51105 1 447 . GLU . 51105 1 448 . HIS . 51105 1 449 . HIS . 51105 1 450 . HIS . 51105 1 451 . HIS . 51105 1 452 . HIS . 51105 1 453 . HIS . 51105 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 51105 1 . PRO 2 2 51105 1 . ASP 3 3 51105 1 . GLU 4 4 51105 1 . SER 5 5 51105 1 . SER 6 6 51105 1 . TRP 7 7 51105 1 . PRO 8 8 51105 1 . ASN 9 9 51105 1 . MET 10 10 51105 1 . THR 11 11 51105 1 . GLU 12 12 51105 1 . SER 13 13 51105 1 . THR 14 14 51105 1 . PRO 15 15 51105 1 . PHE 16 16 51105 1 . PRO 17 17 51105 1 . LEU 18 18 51105 1 . THR 19 19 51105 1 . PRO 20 20 51105 1 . VAL 21 21 51105 1 . GLN 22 22 51105 1 . HIS 23 23 51105 1 . ALA 24 24 51105 1 . TYR 25 25 51105 1 . LEU 26 26 51105 1 . THR 27 27 51105 1 . GLY 28 28 51105 1 . ARG 29 29 51105 1 . MET 30 30 51105 1 . PRO 31 31 51105 1 . GLY 32 32 51105 1 . GLN 33 33 51105 1 . THR 34 34 51105 1 . LEU 35 35 51105 1 . GLY 36 36 51105 1 . GLY 37 37 51105 1 . VAL 38 38 51105 1 . GLY 39 39 51105 1 . CYS 40 40 51105 1 . HIS 41 41 51105 1 . LEU 42 42 51105 1 . TYR 43 43 51105 1 . GLN 44 44 51105 1 . GLU 45 45 51105 1 . PHE 46 46 51105 1 . GLU 47 47 51105 1 . GLY 48 48 51105 1 . HIS 49 49 51105 1 . CYS 50 50 51105 1 . LEU 51 51 51105 1 . THR 52 52 51105 1 . ALA 53 53 51105 1 . SER 54 54 51105 1 . GLN 55 55 51105 1 . LEU 56 56 51105 1 . GLU 57 57 51105 1 . GLN 58 58 51105 1 . ALA 59 59 51105 1 . ILE 60 60 51105 1 . THR 61 61 51105 1 . THR 62 62 51105 1 . LEU 63 63 51105 1 . LEU 64 64 51105 1 . GLN 65 65 51105 1 . ARG 66 66 51105 1 . HIS 67 67 51105 1 . PRO 68 68 51105 1 . MET 69 69 51105 1 . LEU 70 70 51105 1 . HIS 71 71 51105 1 . ILE 72 72 51105 1 . ALA 73 73 51105 1 . PHE 74 74 51105 1 . ARG 75 75 51105 1 . PRO 76 76 51105 1 . ASP 77 77 51105 1 . GLY 78 78 51105 1 . GLN 79 79 51105 1 . GLN 80 80 51105 1 . VAL 81 81 51105 1 . TRP 82 82 51105 1 . LEU 83 83 51105 1 . PRO 84 84 51105 1 . GLN 85 85 51105 1 . PRO 86 86 51105 1 . TYR 87 87 51105 1 . TRP 88 88 51105 1 . ASN 89 89 51105 1 . GLY 90 90 51105 1 . VAL 91 91 51105 1 . THR 92 92 51105 1 . VAL 93 93 51105 1 . HIS 94 94 51105 1 . ASP 95 95 51105 1 . LEU 96 96 51105 1 . ARG 97 97 51105 1 . HIS 98 98 51105 1 . ASN 99 99 51105 1 . ASP 100 100 51105 1 . ALA 101 101 51105 1 . GLU 102 102 51105 1 . SER 103 103 51105 1 . ARG 104 104 51105 1 . GLN 105 105 51105 1 . ALA 106 106 51105 1 . TYR 107 107 51105 1 . LEU 108 108 51105 1 . ASP 109 109 51105 1 . ALA 110 110 51105 1 . LEU 111 111 51105 1 . ARG 112 112 51105 1 . GLN 113 113 51105 1 . ARG 114 114 51105 1 . LEU 115 115 51105 1 . SER 116 116 51105 1 . HIS 117 117 51105 1 . ARG 118 118 51105 1 . LEU 119 119 51105 1 . LEU 120 120 51105 1 . ARG 121 121 51105 1 . VAL 122 122 51105 1 . GLU 123 123 51105 1 . ILE 124 124 51105 1 . GLY 125 125 51105 1 . GLU 126 126 51105 1 . THR 127 127 51105 1 . PHE 128 128 51105 1 . ASP 129 129 51105 1 . PHE 130 130 51105 1 . GLN 131 131 51105 1 . LEU 132 132 51105 1 . THR 133 133 51105 1 . LEU 134 134 51105 1 . LEU 135 135 51105 1 . PRO 136 136 51105 1 . ASP 137 137 51105 1 . ASN 138 138 51105 1 . ARG 139 139 51105 1 . HIS 140 140 51105 1 . ARG 141 141 51105 1 . LEU 142 142 51105 1 . HIS 143 143 51105 1 . VAL 144 144 51105 1 . ASN 145 145 51105 1 . ILE 146 146 51105 1 . ASP 147 147 51105 1 . LEU 148 148 51105 1 . LEU 149 149 51105 1 . ILE 150 150 51105 1 . MET 151 151 51105 1 . ASP 152 152 51105 1 . ALA 153 153 51105 1 . SER 154 154 51105 1 . SER 155 155 51105 1 . PHE 156 156 51105 1 . THR 157 157 51105 1 . LEU 158 158 51105 1 . PHE 159 159 51105 1 . PHE 160 160 51105 1 . ASP 161 161 51105 1 . GLU 162 162 51105 1 . LEU 163 163 51105 1 . ASN 164 164 51105 1 . ALA 165 165 51105 1 . LEU 166 166 51105 1 . LEU 167 167 51105 1 . ALA 168 168 51105 1 . GLY 169 169 51105 1 . GLU 170 170 51105 1 . SER 171 171 51105 1 . LEU 172 172 51105 1 . PRO 173 173 51105 1 . ALA 174 174 51105 1 . ILE 175 175 51105 1 . ASP 176 176 51105 1 . THR 177 177 51105 1 . ARG 178 178 51105 1 . TYR 179 179 51105 1 . ASP 180 180 51105 1 . PHE 181 181 51105 1 . ARG 182 182 51105 1 . SER 183 183 51105 1 . TYR 184 184 51105 1 . LEU 185 185 51105 1 . LEU 186 186 51105 1 . HIS 187 187 51105 1 . GLN 188 188 51105 1 . GLN 189 189 51105 1 . LYS 190 190 51105 1 . ILE 191 191 51105 1 . ASN 192 192 51105 1 . GLN 193 193 51105 1 . PRO 194 194 51105 1 . LEU 195 195 51105 1 . ARG 196 196 51105 1 . ASP 197 197 51105 1 . ASP 198 198 51105 1 . ALA 199 199 51105 1 . ARG 200 200 51105 1 . ALA 201 201 51105 1 . TYR 202 202 51105 1 . TRP 203 203 51105 1 . LEU 204 204 51105 1 . ALA 205 205 51105 1 . LYS 206 206 51105 1 . ALA 207 207 51105 1 . SER 208 208 51105 1 . THR 209 209 51105 1 . LEU 210 210 51105 1 . PRO 211 211 51105 1 . PRO 212 212 51105 1 . ALA 213 213 51105 1 . PRO 214 214 51105 1 . VAL 215 215 51105 1 . LEU 216 216 51105 1 . PRO 217 217 51105 1 . LEU 218 218 51105 1 . ALA 219 219 51105 1 . CYS 220 220 51105 1 . GLU 221 221 51105 1 . PRO 222 222 51105 1 . ALA 223 223 51105 1 . THR 224 224 51105 1 . LEU 225 225 51105 1 . ARG 226 226 51105 1 . GLU 227 227 51105 1 . VAL 228 228 51105 1 . ARG 229 229 51105 1 . ASN 230 230 51105 1 . THR 231 231 51105 1 . ARG 232 232 51105 1 . ARG 233 233 51105 1 . ARG 234 234 51105 1 . MET 235 235 51105 1 . ILE 236 236 51105 1 . VAL 237 237 51105 1 . PRO 238 238 51105 1 . ALA 239 239 51105 1 . THR 240 240 51105 1 . ARG 241 241 51105 1 . TRP 242 242 51105 1 . HIS 243 243 51105 1 . ALA 244 244 51105 1 . PHE 245 245 51105 1 . SER 246 246 51105 1 . ASN 247 247 51105 1 . ARG 248 248 51105 1 . ALA 249 249 51105 1 . GLY 250 250 51105 1 . GLU 251 251 51105 1 . TYR 252 252 51105 1 . GLY 253 253 51105 1 . VAL 254 254 51105 1 . THR 255 255 51105 1 . PRO 256 256 51105 1 . THR 257 257 51105 1 . MET 258 258 51105 1 . ALA 259 259 51105 1 . LEU 260 260 51105 1 . ALA 261 261 51105 1 . THR 262 262 51105 1 . CYS 263 263 51105 1 . PHE 264 264 51105 1 . SER 265 265 51105 1 . ALA 266 266 51105 1 . VAL 267 267 51105 1 . LEU 268 268 51105 1 . ALA 269 269 51105 1 . ARG 270 270 51105 1 . TRP 271 271 51105 1 . GLY 272 272 51105 1 . GLY 273 273 51105 1 . LEU 274 274 51105 1 . THR 275 275 51105 1 . ARG 276 276 51105 1 . LEU 277 277 51105 1 . LEU 278 278 51105 1 . LEU 279 279 51105 1 . ASN 280 280 51105 1 . ILE 281 281 51105 1 . THR 282 282 51105 1 . LEU 283 283 51105 1 . PHE 284 284 51105 1 . ASP 285 285 51105 1 . ARG 286 286 51105 1 . GLN 287 287 51105 1 . PRO 288 288 51105 1 . LEU 289 289 51105 1 . HIS 290 290 51105 1 . PRO 291 291 51105 1 . ALA 292 292 51105 1 . VAL 293 293 51105 1 . GLY 294 294 51105 1 . ALA 295 295 51105 1 . MET 296 296 51105 1 . LEU 297 297 51105 1 . ALA 298 298 51105 1 . ASP 299 299 51105 1 . PHE 300 300 51105 1 . THR 301 301 51105 1 . ASN 302 302 51105 1 . ILE 303 303 51105 1 . LEU 304 304 51105 1 . LEU 305 305 51105 1 . LEU 306 306 51105 1 . ASP 307 307 51105 1 . THR 308 308 51105 1 . ALA 309 309 51105 1 . CYS 310 310 51105 1 . ASP 311 311 51105 1 . GLY 312 312 51105 1 . ASP 313 313 51105 1 . THR 314 314 51105 1 . VAL 315 315 51105 1 . SER 316 316 51105 1 . ASN 317 317 51105 1 . LEU 318 318 51105 1 . ALA 319 319 51105 1 . ARG 320 320 51105 1 . LYS 321 321 51105 1 . ASN 322 322 51105 1 . GLN 323 323 51105 1 . LEU 324 324 51105 1 . THR 325 325 51105 1 . PHE 326 326 51105 1 . THR 327 327 51105 1 . GLU 328 328 51105 1 . ASP 329 329 51105 1 . TRP 330 330 51105 1 . GLU 331 331 51105 1 . HIS 332 332 51105 1 . ARG 333 333 51105 1 . HIS 334 334 51105 1 . TRP 335 335 51105 1 . SER 336 336 51105 1 . GLY 337 337 51105 1 . VAL 338 338 51105 1 . GLU 339 339 51105 1 . LEU 340 340 51105 1 . LEU 341 341 51105 1 . ARG 342 342 51105 1 . GLU 343 343 51105 1 . LEU 344 344 51105 1 . LYS 345 345 51105 1 . ARG 346 346 51105 1 . GLN 347 347 51105 1 . GLN 348 348 51105 1 . ARG 349 349 51105 1 . TYR 350 350 51105 1 . PRO 351 351 51105 1 . HIS 352 352 51105 1 . GLY 353 353 51105 1 . ALA 354 354 51105 1 . PRO 355 355 51105 1 . VAL 356 356 51105 1 . VAL 357 357 51105 1 . PHE 358 358 51105 1 . THR 359 359 51105 1 . SER 360 360 51105 1 . ASN 361 361 51105 1 . LEU 362 362 51105 1 . GLY 363 363 51105 1 . ARG 364 364 51105 1 . SER 365 365 51105 1 . LEU 366 366 51105 1 . TYR 367 367 51105 1 . SER 368 368 51105 1 . SER 369 369 51105 1 . ARG 370 370 51105 1 . ALA 371 371 51105 1 . GLU 372 372 51105 1 . SER 373 373 51105 1 . PRO 374 374 51105 1 . LEU 375 375 51105 1 . GLY 376 376 51105 1 . GLU 377 377 51105 1 . PRO 378 378 51105 1 . GLU 379 379 51105 1 . TRP 380 380 51105 1 . GLY 381 381 51105 1 . ILE 382 382 51105 1 . SER 383 383 51105 1 . GLN 384 384 51105 1 . THR 385 385 51105 1 . PRO 386 386 51105 1 . GLN 387 387 51105 1 . VAL 388 388 51105 1 . TRP 389 389 51105 1 . ILE 390 390 51105 1 . ASN 391 391 51105 1 . HIS 392 392 51105 1 . LEU 393 393 51105 1 . ALA 394 394 51105 1 . PHE 395 395 51105 1 . GLU 396 396 51105 1 . HIS 397 397 51105 1 . HIS 398 398 51105 1 . GLY 399 399 51105 1 . GLU 400 400 51105 1 . VAL 401 401 51105 1 . TRP 402 402 51105 1 . LEU 403 403 51105 1 . GLN 404 404 51105 1 . TRP 405 405 51105 1 . ASP 406 406 51105 1 . SER 407 407 51105 1 . ASN 408 408 51105 1 . ASP 409 409 51105 1 . ALA 410 410 51105 1 . LEU 411 411 51105 1 . PHE 412 412 51105 1 . PRO 413 413 51105 1 . PRO 414 414 51105 1 . ALA 415 415 51105 1 . LEU 416 416 51105 1 . VAL 417 417 51105 1 . GLU 418 418 51105 1 . THR 419 419 51105 1 . LEU 420 420 51105 1 . PHE 421 421 51105 1 . ASP 422 422 51105 1 . ALA 423 423 51105 1 . TYR 424 424 51105 1 . CYS 425 425 51105 1 . GLN 426 426 51105 1 . LEU 427 427 51105 1 . ILE 428 428 51105 1 . ASN 429 429 51105 1 . GLN 430 430 51105 1 . LEU 431 431 51105 1 . CYS 432 432 51105 1 . ASP 433 433 51105 1 . ASP 434 434 51105 1 . GLU 435 435 51105 1 . SER 436 436 51105 1 . ALA 437 437 51105 1 . TRP 438 438 51105 1 . GLN 439 439 51105 1 . LYS 440 440 51105 1 . PRO 441 441 51105 1 . PHE 442 442 51105 1 . ALA 443 443 51105 1 . ASP 444 444 51105 1 . MET 445 445 51105 1 . LEU 446 446 51105 1 . GLU 447 447 51105 1 . HIS 448 448 51105 1 . HIS 449 449 51105 1 . HIS 450 450 51105 1 . HIS 451 451 51105 1 . HIS 452 452 51105 1 . HIS 453 453 51105 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 51105 _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 . 632 organism . 'Yersinia pestis' 'Yersinia pestis' . . Bacteria . Yersinia pestis . . . . . . . . . . . . . 51105 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 51105 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET30a_Cy1H6_D391N . . . 51105 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51105 _Sample.ID 1 _Sample.Name 'Ybt Cy1 D391N' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 796 uM Cy1 D391N; Buffer: 20 mM Sodium Phosphate, 10 mM NaCl, 1 mM EDTA, 5 mM DTT, pH 7.0; 95% H2O/5% D2O; 200 uM DSS. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ybt Cy1 D391N' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 796 . . uM . . . . 51105 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51105 1 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 51105 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51105 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51105 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 51105 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Ybt Cy1 D391N' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 51105 1 temperature 298 . K 51105 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51105 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51105 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 51105 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51105 _Experiment_list.ID 1 _Experiment_list.Details ; The chemical shift assignment was performed using a transposed Cy1 wild-type chemical shift assignment list and using 3D HNCO and HNCA experimental data on Cy1 D391N. ; 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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51105 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51105 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 51105 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ybt Cy1 D391N' _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' . . . . Hz -16.30888884525 internal indirect 0.251449530 . . . . . 51105 1 H 1 DSS 'methyl protons' . . . . Hz -64.8595 internal direct 1 . . . . . 51105 1 N 15 DSS 'methyl protons' . . . . Hz -6.572155928921 internal indirect 0.101329118 . . . . . 51105 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 51105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Ybt Cy1 D391N' _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' . . . 51105 1 2 '3D HNCA' . . . 51105 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 . . 51105 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 4 4 GLU H H 1 8.7411 0.020 . 1 . . . . . 4 GLU H . 51105 1 2 . 1 . 1 4 4 GLU C C 13 176.6898 0.3 . 1 . . . . . 4 GLU C . 51105 1 3 . 1 . 1 4 4 GLU CA C 13 58.9604 0.3 . 1 . . . . . 4 GLU CA . 51105 1 4 . 1 . 1 4 4 GLU N N 15 122.035 0.3 . 1 . . . . . 4 GLU N . 51105 1 5 . 1 . 1 5 5 SER H H 1 8.4591 0.020 . 1 . . . . . 5 SER H . 51105 1 6 . 1 . 1 5 5 SER C C 13 174.2408 0.3 . 1 . . . . . 5 SER C . 51105 1 7 . 1 . 1 5 5 SER CA C 13 60.7754 0.3 . 1 . . . . . 5 SER CA . 51105 1 8 . 1 . 1 5 5 SER N N 15 116.796 0.3 . 1 . . . . . 5 SER N . 51105 1 9 . 1 . 1 6 6 SER H H 1 8.0411 0.020 . 1 . . . . . 6 SER H . 51105 1 10 . 1 . 1 6 6 SER C C 13 173.5638 0.3 . 1 . . . . . 6 SER C . 51105 1 11 . 1 . 1 6 6 SER CA C 13 60.1124 0.3 . 1 . . . . . 6 SER CA . 51105 1 12 . 1 . 1 6 6 SER N N 15 117.545 0.3 . 1 . . . . . 6 SER N . 51105 1 13 . 1 . 1 7 7 TRP H H 1 8.3271 0.020 . 1 . . . . . 7 TRP H . 51105 1 14 . 1 . 1 7 7 TRP C C 13 174.2548 0.3 . 1 . . . . . 7 TRP C . 51105 1 15 . 1 . 1 7 7 TRP CA C 13 57.1454 0.3 . 1 . . . . . 7 TRP CA . 51105 1 16 . 1 . 1 7 7 TRP N N 15 123.639 0.3 . 1 . . . . . 7 TRP N . 51105 1 17 . 1 . 1 9 9 ASN H H 1 8.3401 0.020 . 1 . . . . . 9 ASN H . 51105 1 18 . 1 . 1 9 9 ASN C C 13 177.6408 0.3 . 1 . . . . . 9 ASN C . 51105 1 19 . 1 . 1 9 9 ASN CA C 13 54.0964 0.3 . 1 . . . . . 9 ASN CA . 51105 1 20 . 1 . 1 9 9 ASN N N 15 118.409 0.3 . 1 . . . . . 9 ASN N . 51105 1 21 . 1 . 1 10 10 MET H H 1 11.7921 0.020 . 1 . . . . . 10 MET H . 51105 1 22 . 1 . 1 10 10 MET C C 13 177.6058 0.3 . 1 . . . . . 10 MET C . 51105 1 23 . 1 . 1 10 10 MET CA C 13 59.6674 0.3 . 1 . . . . . 10 MET CA . 51105 1 24 . 1 . 1 10 10 MET N N 15 123.091 0.3 . 1 . . . . . 10 MET N . 51105 1 25 . 1 . 1 11 11 THR H H 1 7.6871 0.020 . 1 . . . . . 11 THR H . 51105 1 26 . 1 . 1 11 11 THR C C 13 173.6938 0.3 . 1 . . . . . 11 THR C . 51105 1 27 . 1 . 1 11 11 THR CA C 13 65.0254 0.3 . 1 . . . . . 11 THR CA . 51105 1 28 . 1 . 1 11 11 THR N N 15 110.127 0.3 . 1 . . . . . 11 THR N . 51105 1 29 . 1 . 1 13 13 SER H H 1 8.5681 0.020 . 1 . . . . . 13 SER H . 51105 1 30 . 1 . 1 13 13 SER C C 13 173.6308 0.3 . 1 . . . . . 13 SER C . 51105 1 31 . 1 . 1 13 13 SER CA C 13 61.9764 0.3 . 1 . . . . . 13 SER CA . 51105 1 32 . 1 . 1 13 13 SER N N 15 111.77 0.3 . 1 . . . . . 13 SER N . 51105 1 33 . 1 . 1 14 14 THR H H 1 7.5921 0.020 . 1 . . . . . 14 THR H . 51105 1 34 . 1 . 1 14 14 THR C C 13 173.1898 0.3 . 1 . . . . . 14 THR C . 51105 1 35 . 1 . 1 14 14 THR CA C 13 61.7594 0.3 . 1 . . . . . 14 THR CA . 51105 1 36 . 1 . 1 14 14 THR N N 15 115.456 0.3 . 1 . . . . . 14 THR N . 51105 1 37 . 1 . 1 16 16 PHE H H 1 9.5791 0.020 . 1 . . . . . 16 PHE H . 51105 1 38 . 1 . 1 16 16 PHE C C 13 171.9358 0.3 . 1 . . . . . 16 PHE C . 51105 1 39 . 1 . 1 16 16 PHE CA C 13 56.9484 0.3 . 1 . . . . . 16 PHE CA . 51105 1 40 . 1 . 1 16 16 PHE N N 15 119.856 0.3 . 1 . . . . . 16 PHE N . 51105 1 41 . 1 . 1 18 18 LEU H H 1 7.3891 0.020 . 1 . . . . . 18 LEU H . 51105 1 42 . 1 . 1 18 18 LEU C C 13 180.5398 0.3 . 1 . . . . . 18 LEU C . 51105 1 43 . 1 . 1 18 18 LEU CA C 13 56.0544 0.3 . 1 . . . . . 18 LEU CA . 51105 1 44 . 1 . 1 18 18 LEU N N 15 116.497 0.3 . 1 . . . . . 18 LEU N . 51105 1 45 . 1 . 1 19 19 THR H H 1 9.8601 0.020 . 1 . . . . . 19 THR H . 51105 1 46 . 1 . 1 19 19 THR C C 13 174.1978 0.3 . 1 . . . . . 19 THR C . 51105 1 47 . 1 . 1 19 19 THR CA C 13 63.1644 0.3 . 1 . . . . . 19 THR CA . 51105 1 48 . 1 . 1 19 19 THR N N 15 114.543 0.3 . 1 . . . . . 19 THR N . 51105 1 49 . 1 . 1 21 21 VAL H H 1 7.2681 0.020 . 1 . . . . . 21 VAL H . 51105 1 50 . 1 . 1 21 21 VAL C C 13 176.7328 0.3 . 1 . . . . . 21 VAL C . 51105 1 51 . 1 . 1 21 21 VAL CA C 13 68.9724 0.3 . 1 . . . . . 21 VAL CA . 51105 1 52 . 1 . 1 21 21 VAL N N 15 116.835 0.3 . 1 . . . . . 21 VAL N . 51105 1 53 . 1 . 1 22 22 GLN H H 1 8.2851 0.020 . 1 . . . . . 22 GLN H . 51105 1 54 . 1 . 1 22 22 GLN C C 13 178.8218 0.3 . 1 . . . . . 22 GLN C . 51105 1 55 . 1 . 1 22 22 GLN CA C 13 61.7344 0.3 . 1 . . . . . 22 GLN CA . 51105 1 56 . 1 . 1 22 22 GLN N N 15 117.757 0.3 . 1 . . . . . 22 GLN N . 51105 1 57 . 1 . 1 23 23 HIS H H 1 8.8151 0.020 . 1 . . . . . 23 HIS H . 51105 1 58 . 1 . 1 23 23 HIS C C 13 178.4478 0.3 . 1 . . . . . 23 HIS C . 51105 1 59 . 1 . 1 23 23 HIS CA C 13 62.5474 0.3 . 1 . . . . . 23 HIS CA . 51105 1 60 . 1 . 1 23 23 HIS N N 15 116.909 0.3 . 1 . . . . . 23 HIS N . 51105 1 61 . 1 . 1 24 24 ALA H H 1 8.0421 0.020 . 1 . . . . . 24 ALA H . 51105 1 62 . 1 . 1 24 24 ALA C C 13 181.8038 0.3 . 1 . . . . . 24 ALA C . 51105 1 63 . 1 . 1 24 24 ALA CA C 13 57.4744 0.3 . 1 . . . . . 24 ALA CA . 51105 1 64 . 1 . 1 24 24 ALA N N 15 122.972 0.3 . 1 . . . . . 24 ALA N . 51105 1 65 . 1 . 1 25 25 TYR H H 1 8.3071 0.020 . 1 . . . . . 25 TYR H . 51105 1 66 . 1 . 1 25 25 TYR C C 13 178.4618 0.3 . 1 . . . . . 25 TYR C . 51105 1 67 . 1 . 1 25 25 TYR CA C 13 59.6104 0.3 . 1 . . . . . 25 TYR CA . 51105 1 68 . 1 . 1 25 25 TYR N N 15 119.015 0.3 . 1 . . . . . 25 TYR N . 51105 1 69 . 1 . 1 26 26 LEU H H 1 8.9421 0.020 . 1 . . . . . 26 LEU H . 51105 1 70 . 1 . 1 26 26 LEU C C 13 178.3588 0.3 . 1 . . . . . 26 LEU C . 51105 1 71 . 1 . 1 26 26 LEU CA C 13 60.4324 0.3 . 1 . . . . . 26 LEU CA . 51105 1 72 . 1 . 1 26 26 LEU N N 15 120.795 0.3 . 1 . . . . . 26 LEU N . 51105 1 73 . 1 . 1 27 27 THR H H 1 8.0611 0.020 . 1 . . . . . 27 THR H . 51105 1 74 . 1 . 1 27 27 THR C C 13 178.1698 0.3 . 1 . . . . . 27 THR C . 51105 1 75 . 1 . 1 27 27 THR CA C 13 66.9944 0.3 . 1 . . . . . 27 THR CA . 51105 1 76 . 1 . 1 27 27 THR N N 15 109.121 0.3 . 1 . . . . . 27 THR N . 51105 1 77 . 1 . 1 28 28 GLY H H 1 8.1491 0.020 . 1 . . . . . 28 GLY H . 51105 1 78 . 1 . 1 28 28 GLY C C 13 174.7718 0.3 . 1 . . . . . 28 GLY C . 51105 1 79 . 1 . 1 28 28 GLY CA C 13 49.4924 0.3 . 1 . . . . . 28 GLY CA . 51105 1 80 . 1 . 1 28 28 GLY N N 15 108.679 0.3 . 1 . . . . . 28 GLY N . 51105 1 81 . 1 . 1 29 29 ARG H H 1 7.6101 0.020 . 1 . . . . . 29 ARG H . 51105 1 82 . 1 . 1 29 29 ARG C C 13 176.5728 0.3 . 1 . . . . . 29 ARG C . 51105 1 83 . 1 . 1 29 29 ARG CA C 13 58.4704 0.3 . 1 . . . . . 29 ARG CA . 51105 1 84 . 1 . 1 29 29 ARG N N 15 115.729 0.3 . 1 . . . . . 29 ARG N . 51105 1 85 . 1 . 1 30 30 MET H H 1 6.7511 0.020 . 1 . . . . . 30 MET H . 51105 1 86 . 1 . 1 30 30 MET C C 13 175.0038 0.3 . 1 . . . . . 30 MET C . 51105 1 87 . 1 . 1 30 30 MET CA C 13 56.2814 0.3 . 1 . . . . . 30 MET CA . 51105 1 88 . 1 . 1 30 30 MET N N 15 117.894 0.3 . 1 . . . . . 30 MET N . 51105 1 89 . 1 . 1 32 32 GLY H H 1 9.0461 0.020 . 1 . . . . . 32 GLY H . 51105 1 90 . 1 . 1 32 32 GLY C C 13 175.3618 0.3 . 1 . . . . . 32 GLY C . 51105 1 91 . 1 . 1 32 32 GLY CA C 13 47.3184 0.3 . 1 . . . . . 32 GLY CA . 51105 1 92 . 1 . 1 32 32 GLY N N 15 112.377 0.3 . 1 . . . . . 32 GLY N . 51105 1 93 . 1 . 1 33 33 GLN H H 1 7.6381 0.020 . 1 . . . . . 33 GLN H . 51105 1 94 . 1 . 1 33 33 GLN C C 13 177.3978 0.3 . 1 . . . . . 33 GLN C . 51105 1 95 . 1 . 1 33 33 GLN CA C 13 56.7094 0.3 . 1 . . . . . 33 GLN CA . 51105 1 96 . 1 . 1 33 33 GLN N N 15 117.985 0.3 . 1 . . . . . 33 GLN N . 51105 1 97 . 1 . 1 35 35 LEU H H 1 10.1791 0.020 . 1 . . . . . 35 LEU H . 51105 1 98 . 1 . 1 35 35 LEU C C 13 176.3028 0.3 . 1 . . . . . 35 LEU C . 51105 1 99 . 1 . 1 35 35 LEU CA C 13 58.3364 0.3 . 1 . . . . . 35 LEU CA . 51105 1 100 . 1 . 1 35 35 LEU N N 15 124.609 0.3 . 1 . . . . . 35 LEU N . 51105 1 101 . 1 . 1 36 36 GLY H H 1 7.8511 0.020 . 1 . . . . . 36 GLY H . 51105 1 102 . 1 . 1 36 36 GLY C C 13 174.1128 0.3 . 1 . . . . . 36 GLY C . 51105 1 103 . 1 . 1 36 36 GLY CA C 13 46.1584 0.3 . 1 . . . . . 36 GLY CA . 51105 1 104 . 1 . 1 36 36 GLY N N 15 105.768 0.3 . 1 . . . . . 36 GLY N . 51105 1 105 . 1 . 1 37 37 GLY H H 1 7.2781 0.020 . 1 . . . . . 37 GLY H . 51105 1 106 . 1 . 1 37 37 GLY C C 13 172.1848 0.3 . 1 . . . . . 37 GLY C . 51105 1 107 . 1 . 1 37 37 GLY CA C 13 48.2914 0.3 . 1 . . . . . 37 GLY CA . 51105 1 108 . 1 . 1 37 37 GLY N N 15 107.469 0.3 . 1 . . . . . 37 GLY N . 51105 1 109 . 1 . 1 42 42 LEU H H 1 8.5931 0.020 . 1 . . . . . 42 LEU H . 51105 1 110 . 1 . 1 42 42 LEU C C 13 172.6218 0.3 . 1 . . . . . 42 LEU C . 51105 1 111 . 1 . 1 42 42 LEU CA C 13 56.4764 0.3 . 1 . . . . . 42 LEU CA . 51105 1 112 . 1 . 1 42 42 LEU N N 15 129.087 0.3 . 1 . . . . . 42 LEU N . 51105 1 113 . 1 . 1 43 43 TYR H H 1 8.2661 0.020 . 1 . . . . . 43 TYR H . 51105 1 114 . 1 . 1 43 43 TYR C C 13 174.8198 0.3 . 1 . . . . . 43 TYR C . 51105 1 115 . 1 . 1 43 43 TYR CA C 13 57.2924 0.3 . 1 . . . . . 43 TYR CA . 51105 1 116 . 1 . 1 43 43 TYR N N 15 123.163 0.3 . 1 . . . . . 43 TYR N . 51105 1 117 . 1 . 1 44 44 GLN H H 1 8.8031 0.020 . 1 . . . . . 44 GLN H . 51105 1 118 . 1 . 1 44 44 GLN C C 13 172.9158 0.3 . 1 . . . . . 44 GLN C . 51105 1 119 . 1 . 1 44 44 GLN CA C 13 55.9424 0.3 . 1 . . . . . 44 GLN CA . 51105 1 120 . 1 . 1 44 44 GLN N N 15 127.693 0.3 . 1 . . . . . 44 GLN N . 51105 1 121 . 1 . 1 45 45 GLU H H 1 8.5621 0.020 . 1 . . . . . 45 GLU H . 51105 1 122 . 1 . 1 45 45 GLU C C 13 177.5258 0.3 . 1 . . . . . 45 GLU C . 51105 1 123 . 1 . 1 45 45 GLU CA C 13 55.9514 0.3 . 1 . . . . . 45 GLU CA . 51105 1 124 . 1 . 1 45 45 GLU N N 15 123.391 0.3 . 1 . . . . . 45 GLU N . 51105 1 125 . 1 . 1 46 46 PHE H H 1 9.4781 0.020 . 1 . . . . . 46 PHE H . 51105 1 126 . 1 . 1 46 46 PHE C C 13 174.9038 0.3 . 1 . . . . . 46 PHE C . 51105 1 127 . 1 . 1 46 46 PHE CA C 13 58.3344 0.3 . 1 . . . . . 46 PHE CA . 51105 1 128 . 1 . 1 46 46 PHE N N 15 122.703 0.3 . 1 . . . . . 46 PHE N . 51105 1 129 . 1 . 1 47 47 GLU H H 1 9.2241 0.020 . 1 . . . . . 47 GLU H . 51105 1 130 . 1 . 1 47 47 GLU C C 13 177.1078 0.3 . 1 . . . . . 47 GLU C . 51105 1 131 . 1 . 1 47 47 GLU CA C 13 56.7324 0.3 . 1 . . . . . 47 GLU CA . 51105 1 132 . 1 . 1 47 47 GLU N N 15 120.196 0.3 . 1 . . . . . 47 GLU N . 51105 1 133 . 1 . 1 48 48 GLY H H 1 7.4681 0.020 . 1 . . . . . 48 GLY H . 51105 1 134 . 1 . 1 48 48 GLY C C 13 171.9208 0.3 . 1 . . . . . 48 GLY C . 51105 1 135 . 1 . 1 48 48 GLY CA C 13 48.2864 0.3 . 1 . . . . . 48 GLY CA . 51105 1 136 . 1 . 1 48 48 GLY N N 15 111.936 0.3 . 1 . . . . . 48 GLY N . 51105 1 137 . 1 . 1 49 49 HIS H H 1 8.9961 0.020 . 1 . . . . . 49 HIS H . 51105 1 138 . 1 . 1 49 49 HIS C C 13 176.2058 0.3 . 1 . . . . . 49 HIS C . 51105 1 139 . 1 . 1 49 49 HIS CA C 13 58.2434 0.3 . 1 . . . . . 49 HIS CA . 51105 1 140 . 1 . 1 49 49 HIS N N 15 120.704 0.3 . 1 . . . . . 49 HIS N . 51105 1 141 . 1 . 1 50 50 CYS H H 1 9.0701 0.020 . 1 . . . . . 50 CYS H . 51105 1 142 . 1 . 1 50 50 CYS C C 13 173.4488 0.3 . 1 . . . . . 50 CYS C . 51105 1 143 . 1 . 1 50 50 CYS CA C 13 64.1534 0.3 . 1 . . . . . 50 CYS CA . 51105 1 144 . 1 . 1 50 50 CYS N N 15 109.34 0.3 . 1 . . . . . 50 CYS N . 51105 1 145 . 1 . 1 51 51 LEU H H 1 8.0851 0.020 . 1 . . . . . 51 LEU H . 51105 1 146 . 1 . 1 51 51 LEU C C 13 175.7968 0.3 . 1 . . . . . 51 LEU C . 51105 1 147 . 1 . 1 51 51 LEU CA C 13 58.3594 0.3 . 1 . . . . . 51 LEU CA . 51105 1 148 . 1 . 1 51 51 LEU N N 15 124.21 0.3 . 1 . . . . . 51 LEU N . 51105 1 149 . 1 . 1 52 52 THR H H 1 7.4791 0.020 . 1 . . . . . 52 THR H . 51105 1 150 . 1 . 1 52 52 THR C C 13 175.1768 0.3 . 1 . . . . . 52 THR C . 51105 1 151 . 1 . 1 52 52 THR CA C 13 60.9814 0.3 . 1 . . . . . 52 THR CA . 51105 1 152 . 1 . 1 52 52 THR N N 15 112.14 0.3 . 1 . . . . . 52 THR N . 51105 1 153 . 1 . 1 53 53 ALA H H 1 9.0931 0.020 . 1 . . . . . 53 ALA H . 51105 1 154 . 1 . 1 53 53 ALA C C 13 179.5998 0.3 . 1 . . . . . 53 ALA C . 51105 1 155 . 1 . 1 53 53 ALA CA C 13 58.0894 0.3 . 1 . . . . . 53 ALA CA . 51105 1 156 . 1 . 1 53 53 ALA N N 15 123.602 0.3 . 1 . . . . . 53 ALA N . 51105 1 157 . 1 . 1 54 54 SER H H 1 8.6541 0.020 . 1 . . . . . 54 SER H . 51105 1 158 . 1 . 1 54 54 SER C C 13 177.9728 0.3 . 1 . . . . . 54 SER C . 51105 1 159 . 1 . 1 54 54 SER CA C 13 63.7224 0.3 . 1 . . . . . 54 SER CA . 51105 1 160 . 1 . 1 54 54 SER N N 15 111.588 0.3 . 1 . . . . . 54 SER N . 51105 1 161 . 1 . 1 55 55 GLN H H 1 7.4781 0.020 . 1 . . . . . 55 GLN H . 51105 1 162 . 1 . 1 55 55 GLN C C 13 179.4128 0.3 . 1 . . . . . 55 GLN C . 51105 1 163 . 1 . 1 55 55 GLN CA C 13 60.6554 0.3 . 1 . . . . . 55 GLN CA . 51105 1 164 . 1 . 1 55 55 GLN N N 15 121.083 0.3 . 1 . . . . . 55 GLN N . 51105 1 165 . 1 . 1 56 56 LEU H H 1 7.9131 0.020 . 1 . . . . . 56 LEU H . 51105 1 166 . 1 . 1 56 56 LEU C C 13 177.7918 0.3 . 1 . . . . . 56 LEU C . 51105 1 167 . 1 . 1 56 56 LEU CA C 13 60.0934 0.3 . 1 . . . . . 56 LEU CA . 51105 1 168 . 1 . 1 56 56 LEU N N 15 120.019 0.3 . 1 . . . . . 56 LEU N . 51105 1 169 . 1 . 1 57 57 GLU H H 1 9.1871 0.020 . 1 . . . . . 57 GLU H . 51105 1 170 . 1 . 1 57 57 GLU C C 13 179.6578 0.3 . 1 . . . . . 57 GLU C . 51105 1 171 . 1 . 1 57 57 GLU CA C 13 62.4094 0.3 . 1 . . . . . 57 GLU CA . 51105 1 172 . 1 . 1 57 57 GLU N N 15 118.453 0.3 . 1 . . . . . 57 GLU N . 51105 1 173 . 1 . 1 58 58 GLN H H 1 7.8301 0.020 . 1 . . . . . 58 GLN H . 51105 1 174 . 1 . 1 58 58 GLN C C 13 178.5028 0.3 . 1 . . . . . 58 GLN C . 51105 1 175 . 1 . 1 58 58 GLN CA C 13 61.1974 0.3 . 1 . . . . . 58 GLN CA . 51105 1 176 . 1 . 1 58 58 GLN N N 15 118.135 0.3 . 1 . . . . . 58 GLN N . 51105 1 177 . 1 . 1 59 59 ALA H H 1 7.5901 0.020 . 1 . . . . . 59 ALA H . 51105 1 178 . 1 . 1 59 59 ALA C C 13 179.2408 0.3 . 1 . . . . . 59 ALA C . 51105 1 179 . 1 . 1 59 59 ALA CA C 13 57.3194 0.3 . 1 . . . . . 59 ALA CA . 51105 1 180 . 1 . 1 59 59 ALA N N 15 121.348 0.3 . 1 . . . . . 59 ALA N . 51105 1 181 . 1 . 1 60 60 ILE H H 1 8.5661 0.020 . 1 . . . . . 60 ILE H . 51105 1 182 . 1 . 1 60 60 ILE C C 13 177.7558 0.3 . 1 . . . . . 60 ILE C . 51105 1 183 . 1 . 1 60 60 ILE CA C 13 67.3814 0.3 . 1 . . . . . 60 ILE CA . 51105 1 184 . 1 . 1 60 60 ILE N N 15 117.89 0.3 . 1 . . . . . 60 ILE N . 51105 1 185 . 1 . 1 61 61 THR H H 1 8.4241 0.020 . 1 . . . . . 61 THR H . 51105 1 186 . 1 . 1 61 61 THR C C 13 177.3858 0.3 . 1 . . . . . 61 THR C . 51105 1 187 . 1 . 1 61 61 THR CA C 13 70.0784 0.3 . 1 . . . . . 61 THR CA . 51105 1 188 . 1 . 1 61 61 THR N N 15 115.347 0.3 . 1 . . . . . 61 THR N . 51105 1 189 . 1 . 1 62 62 THR H H 1 7.6151 0.020 . 1 . . . . . 62 THR H . 51105 1 190 . 1 . 1 62 62 THR C C 13 176.8838 0.3 . 1 . . . . . 62 THR C . 51105 1 191 . 1 . 1 62 62 THR CA C 13 69.3334 0.3 . 1 . . . . . 62 THR CA . 51105 1 192 . 1 . 1 62 62 THR N N 15 118.986 0.3 . 1 . . . . . 62 THR N . 51105 1 193 . 1 . 1 63 63 LEU H H 1 8.3421 0.020 . 1 . . . . . 63 LEU H . 51105 1 194 . 1 . 1 63 63 LEU C C 13 179.1798 0.3 . 1 . . . . . 63 LEU C . 51105 1 195 . 1 . 1 63 63 LEU CA C 13 61.4264 0.3 . 1 . . . . . 63 LEU CA . 51105 1 196 . 1 . 1 63 63 LEU N N 15 123.331 0.3 . 1 . . . . . 63 LEU N . 51105 1 197 . 1 . 1 64 64 LEU H H 1 8.6971 0.020 . 1 . . . . . 64 LEU H . 51105 1 198 . 1 . 1 64 64 LEU C C 13 179.3188 0.3 . 1 . . . . . 64 LEU C . 51105 1 199 . 1 . 1 64 64 LEU CA C 13 60.1814 0.3 . 1 . . . . . 64 LEU CA . 51105 1 200 . 1 . 1 64 64 LEU N N 15 117.367 0.3 . 1 . . . . . 64 LEU N . 51105 1 201 . 1 . 1 65 65 GLN H H 1 7.4661 0.020 . 1 . . . . . 65 GLN H . 51105 1 202 . 1 . 1 65 65 GLN C C 13 177.8008 0.3 . 1 . . . . . 65 GLN C . 51105 1 203 . 1 . 1 65 65 GLN CA C 13 59.2234 0.3 . 1 . . . . . 65 GLN CA . 51105 1 204 . 1 . 1 65 65 GLN N N 15 116.855 0.3 . 1 . . . . . 65 GLN N . 51105 1 205 . 1 . 1 66 66 ARG H H 1 7.6171 0.020 . 1 . . . . . 66 ARG H . 51105 1 206 . 1 . 1 66 66 ARG C C 13 175.6668 0.3 . 1 . . . . . 66 ARG C . 51105 1 207 . 1 . 1 66 66 ARG CA C 13 60.8694 0.3 . 1 . . . . . 66 ARG CA . 51105 1 208 . 1 . 1 66 66 ARG N N 15 119.216 0.3 . 1 . . . . . 66 ARG N . 51105 1 209 . 1 . 1 67 67 HIS H H 1 7.4991 0.020 . 1 . . . . . 67 HIS H . 51105 1 210 . 1 . 1 67 67 HIS C C 13 174.9858 0.3 . 1 . . . . . 67 HIS C . 51105 1 211 . 1 . 1 67 67 HIS CA C 13 55.8424 0.3 . 1 . . . . . 67 HIS CA . 51105 1 212 . 1 . 1 67 67 HIS N N 15 115.645 0.3 . 1 . . . . . 67 HIS N . 51105 1 213 . 1 . 1 69 69 MET H H 1 8.8671 0.020 . 1 . . . . . 69 MET H . 51105 1 214 . 1 . 1 69 69 MET C C 13 179.4298 0.3 . 1 . . . . . 69 MET C . 51105 1 215 . 1 . 1 69 69 MET CA C 13 59.0024 0.3 . 1 . . . . . 69 MET CA . 51105 1 216 . 1 . 1 69 69 MET N N 15 115.013 0.3 . 1 . . . . . 69 MET N . 51105 1 217 . 1 . 1 70 70 LEU H H 1 8.2061 0.020 . 1 . . . . . 70 LEU H . 51105 1 218 . 1 . 1 70 70 LEU C C 13 176.0038 0.3 . 1 . . . . . 70 LEU C . 51105 1 219 . 1 . 1 70 70 LEU CA C 13 58.9404 0.3 . 1 . . . . . 70 LEU CA . 51105 1 220 . 1 . 1 70 70 LEU N N 15 116.218 0.3 . 1 . . . . . 70 LEU N . 51105 1 221 . 1 . 1 71 71 HIS H H 1 8.5711 0.020 . 1 . . . . . 71 HIS H . 51105 1 222 . 1 . 1 71 71 HIS C C 13 175.3928 0.3 . 1 . . . . . 71 HIS C . 51105 1 223 . 1 . 1 71 71 HIS CA C 13 57.4834 0.3 . 1 . . . . . 71 HIS CA . 51105 1 224 . 1 . 1 71 71 HIS N N 15 114.123 0.3 . 1 . . . . . 71 HIS N . 51105 1 225 . 1 . 1 72 72 ILE H H 1 7.3181 0.020 . 1 . . . . . 72 ILE H . 51105 1 226 . 1 . 1 72 72 ILE C C 13 174.3418 0.3 . 1 . . . . . 72 ILE C . 51105 1 227 . 1 . 1 72 72 ILE CA C 13 62.4014 0.3 . 1 . . . . . 72 ILE CA . 51105 1 228 . 1 . 1 72 72 ILE N N 15 125.371 0.3 . 1 . . . . . 72 ILE N . 51105 1 229 . 1 . 1 73 73 ALA H H 1 8.6711 0.020 . 1 . . . . . 73 ALA H . 51105 1 230 . 1 . 1 73 73 ALA C C 13 175.6958 0.3 . 1 . . . . . 73 ALA C . 51105 1 231 . 1 . 1 73 73 ALA CA C 13 52.2284 0.3 . 1 . . . . . 73 ALA CA . 51105 1 232 . 1 . 1 73 73 ALA N N 15 123.215 0.3 . 1 . . . . . 73 ALA N . 51105 1 233 . 1 . 1 74 74 PHE H H 1 7.2631 0.020 . 1 . . . . . 74 PHE H . 51105 1 234 . 1 . 1 74 74 PHE C C 13 175.9058 0.3 . 1 . . . . . 74 PHE C . 51105 1 235 . 1 . 1 74 74 PHE CA C 13 60.9834 0.3 . 1 . . . . . 74 PHE CA . 51105 1 236 . 1 . 1 74 74 PHE N N 15 116.947 0.3 . 1 . . . . . 74 PHE N . 51105 1 237 . 1 . 1 75 75 ARG H H 1 8.4561 0.020 . 1 . . . . . 75 ARG H . 51105 1 238 . 1 . 1 75 75 ARG C C 13 176.8198 0.3 . 1 . . . . . 75 ARG C . 51105 1 239 . 1 . 1 75 75 ARG CA C 13 56.0814 0.3 . 1 . . . . . 75 ARG CA . 51105 1 240 . 1 . 1 75 75 ARG N N 15 121.811 0.3 . 1 . . . . . 75 ARG N . 51105 1 241 . 1 . 1 77 77 ASP H H 1 7.9641 0.020 . 1 . . . . . 77 ASP H . 51105 1 242 . 1 . 1 77 77 ASP C C 13 176.9718 0.3 . 1 . . . . . 77 ASP C . 51105 1 243 . 1 . 1 77 77 ASP CA C 13 55.5054 0.3 . 1 . . . . . 77 ASP CA . 51105 1 244 . 1 . 1 77 77 ASP N N 15 115.919 0.3 . 1 . . . . . 77 ASP N . 51105 1 245 . 1 . 1 78 78 GLY H H 1 8.4821 0.020 . 1 . . . . . 78 GLY H . 51105 1 246 . 1 . 1 78 78 GLY C C 13 173.4488 0.3 . 1 . . . . . 78 GLY C . 51105 1 247 . 1 . 1 78 78 GLY CA C 13 48.6724 0.3 . 1 . . . . . 78 GLY CA . 51105 1 248 . 1 . 1 78 78 GLY N N 15 107.377 0.3 . 1 . . . . . 78 GLY N . 51105 1 249 . 1 . 1 79 79 GLN H H 1 7.0991 0.020 . 1 . . . . . 79 GLN H . 51105 1 250 . 1 . 1 79 79 GLN C C 13 173.0008 0.3 . 1 . . . . . 79 GLN C . 51105 1 251 . 1 . 1 79 79 GLN CA C 13 56.9284 0.3 . 1 . . . . . 79 GLN CA . 51105 1 252 . 1 . 1 79 79 GLN N N 15 115.156 0.3 . 1 . . . . . 79 GLN N . 51105 1 253 . 1 . 1 80 80 GLN H H 1 8.8731 0.020 . 1 . . . . . 80 GLN H . 51105 1 254 . 1 . 1 80 80 GLN C C 13 173.2898 0.3 . 1 . . . . . 80 GLN C . 51105 1 255 . 1 . 1 80 80 GLN CA C 13 54.7454 0.3 . 1 . . . . . 80 GLN CA . 51105 1 256 . 1 . 1 80 80 GLN N N 15 119.021 0.3 . 1 . . . . . 80 GLN N . 51105 1 257 . 1 . 1 81 81 VAL H H 1 8.5001 0.020 . 1 . . . . . 81 VAL H . 51105 1 258 . 1 . 1 81 81 VAL C C 13 171.2158 0.3 . 1 . . . . . 81 VAL C . 51105 1 259 . 1 . 1 81 81 VAL CA C 13 62.1794 0.3 . 1 . . . . . 81 VAL CA . 51105 1 260 . 1 . 1 81 81 VAL N N 15 117.588 0.3 . 1 . . . . . 81 VAL N . 51105 1 261 . 1 . 1 82 82 TRP H H 1 9.2661 0.020 . 1 . . . . . 82 TRP H . 51105 1 262 . 1 . 1 82 82 TRP C C 13 175.2488 0.3 . 1 . . . . . 82 TRP C . 51105 1 263 . 1 . 1 82 82 TRP CA C 13 61.5954 0.3 . 1 . . . . . 82 TRP CA . 51105 1 264 . 1 . 1 82 82 TRP N N 15 129.691 0.3 . 1 . . . . . 82 TRP N . 51105 1 265 . 1 . 1 83 83 LEU H H 1 7.7941 0.020 . 1 . . . . . 83 LEU H . 51105 1 266 . 1 . 1 83 83 LEU C C 13 175.0058 0.3 . 1 . . . . . 83 LEU C . 51105 1 267 . 1 . 1 83 83 LEU CA C 13 53.5364 0.3 . 1 . . . . . 83 LEU CA . 51105 1 268 . 1 . 1 83 83 LEU N N 15 128.165 0.3 . 1 . . . . . 83 LEU N . 51105 1 269 . 1 . 1 85 85 GLN H H 1 7.4751 0.020 . 1 . . . . . 85 GLN H . 51105 1 270 . 1 . 1 85 85 GLN C C 13 173.1788 0.3 . 1 . . . . . 85 GLN C . 51105 1 271 . 1 . 1 85 85 GLN CA C 13 53.8664 0.3 . 1 . . . . . 85 GLN CA . 51105 1 272 . 1 . 1 85 85 GLN N N 15 115.919 0.3 . 1 . . . . . 85 GLN N . 51105 1 273 . 1 . 1 91 91 VAL H H 1 9.4111 0.020 . 1 . . . . . 91 VAL H . 51105 1 274 . 1 . 1 91 91 VAL C C 13 176.7038 0.3 . 1 . . . . . 91 VAL C . 51105 1 275 . 1 . 1 91 91 VAL CA C 13 64.8874 0.3 . 1 . . . . . 91 VAL CA . 51105 1 276 . 1 . 1 91 91 VAL N N 15 121.063 0.3 . 1 . . . . . 91 VAL N . 51105 1 277 . 1 . 1 92 92 THR H H 1 7.7561 0.020 . 1 . . . . . 92 THR H . 51105 1 278 . 1 . 1 92 92 THR C C 13 172.8148 0.3 . 1 . . . . . 92 THR C . 51105 1 279 . 1 . 1 92 92 THR CA C 13 66.2244 0.3 . 1 . . . . . 92 THR CA . 51105 1 280 . 1 . 1 92 92 THR N N 15 126.783 0.3 . 1 . . . . . 92 THR N . 51105 1 281 . 1 . 1 93 93 VAL H H 1 8.7331 0.020 . 1 . . . . . 93 VAL H . 51105 1 282 . 1 . 1 93 93 VAL C C 13 175.4078 0.3 . 1 . . . . . 93 VAL C . 51105 1 283 . 1 . 1 93 93 VAL CA C 13 63.1614 0.3 . 1 . . . . . 93 VAL CA . 51105 1 284 . 1 . 1 93 93 VAL N N 15 129.327 0.3 . 1 . . . . . 93 VAL N . 51105 1 285 . 1 . 1 94 94 HIS H H 1 9.5641 0.020 . 1 . . . . . 94 HIS H . 51105 1 286 . 1 . 1 94 94 HIS C C 13 174.4998 0.3 . 1 . . . . . 94 HIS C . 51105 1 287 . 1 . 1 94 94 HIS CA C 13 56.3904 0.3 . 1 . . . . . 94 HIS CA . 51105 1 288 . 1 . 1 94 94 HIS N N 15 129.706 0.3 . 1 . . . . . 94 HIS N . 51105 1 289 . 1 . 1 95 95 ASP H H 1 9.2341 0.020 . 1 . . . . . 95 ASP H . 51105 1 290 . 1 . 1 95 95 ASP C C 13 175.7678 0.3 . 1 . . . . . 95 ASP C . 51105 1 291 . 1 . 1 95 95 ASP CA C 13 55.9714 0.3 . 1 . . . . . 95 ASP CA . 51105 1 292 . 1 . 1 95 95 ASP N N 15 123.757 0.3 . 1 . . . . . 95 ASP N . 51105 1 293 . 1 . 1 96 96 LEU H H 1 8.6101 0.020 . 1 . . . . . 96 LEU H . 51105 1 294 . 1 . 1 96 96 LEU C C 13 179.1678 0.3 . 1 . . . . . 96 LEU C . 51105 1 295 . 1 . 1 96 96 LEU CA C 13 55.2644 0.3 . 1 . . . . . 96 LEU CA . 51105 1 296 . 1 . 1 96 96 LEU N N 15 127.083 0.3 . 1 . . . . . 96 LEU N . 51105 1 297 . 1 . 1 97 97 ARG H H 1 7.8291 0.020 . 1 . . . . . 97 ARG H . 51105 1 298 . 1 . 1 97 97 ARG C C 13 177.4878 0.3 . 1 . . . . . 97 ARG C . 51105 1 299 . 1 . 1 97 97 ARG CA C 13 62.7504 0.3 . 1 . . . . . 97 ARG CA . 51105 1 300 . 1 . 1 97 97 ARG N N 15 118.118 0.3 . 1 . . . . . 97 ARG N . 51105 1 301 . 1 . 1 99 99 ASN H H 1 7.3201 0.020 . 1 . . . . . 99 ASN H . 51105 1 302 . 1 . 1 99 99 ASN C C 13 175.5638 0.3 . 1 . . . . . 99 ASN C . 51105 1 303 . 1 . 1 99 99 ASN CA C 13 56.2384 0.3 . 1 . . . . . 99 ASN CA . 51105 1 304 . 1 . 1 99 99 ASN N N 15 118.774 0.3 . 1 . . . . . 99 ASN N . 51105 1 305 . 1 . 1 100 100 ASP H H 1 8.7031 0.020 . 1 . . . . . 100 ASP H . 51105 1 306 . 1 . 1 100 100 ASP C C 13 175.6308 0.3 . 1 . . . . . 100 ASP C . 51105 1 307 . 1 . 1 100 100 ASP CA C 13 55.7554 0.3 . 1 . . . . . 100 ASP CA . 51105 1 308 . 1 . 1 100 100 ASP N N 15 120.493 0.3 . 1 . . . . . 100 ASP N . 51105 1 309 . 1 . 1 101 101 ALA H H 1 8.7521 0.020 . 1 . . . . . 101 ALA H . 51105 1 310 . 1 . 1 101 101 ALA C C 13 180.6518 0.3 . 1 . . . . . 101 ALA C . 51105 1 311 . 1 . 1 101 101 ALA CA C 13 58.4644 0.3 . 1 . . . . . 101 ALA CA . 51105 1 312 . 1 . 1 101 101 ALA N N 15 121.697 0.3 . 1 . . . . . 101 ALA N . 51105 1 313 . 1 . 1 102 102 GLU H H 1 8.6931 0.020 . 1 . . . . . 102 GLU H . 51105 1 314 . 1 . 1 102 102 GLU C C 13 179.9308 0.3 . 1 . . . . . 102 GLU C . 51105 1 315 . 1 . 1 102 102 GLU CA C 13 62.3744 0.3 . 1 . . . . . 102 GLU CA . 51105 1 316 . 1 . 1 102 102 GLU N N 15 118.67 0.3 . 1 . . . . . 102 GLU N . 51105 1 317 . 1 . 1 103 103 SER H H 1 8.6851 0.020 . 1 . . . . . 103 SER H . 51105 1 318 . 1 . 1 103 103 SER C C 13 178.7058 0.3 . 1 . . . . . 103 SER C . 51105 1 319 . 1 . 1 103 103 SER CA C 13 64.0484 0.3 . 1 . . . . . 103 SER CA . 51105 1 320 . 1 . 1 103 103 SER N N 15 117.459 0.3 . 1 . . . . . 103 SER N . 51105 1 321 . 1 . 1 104 104 ARG H H 1 8.5941 0.020 . 1 . . . . . 104 ARG H . 51105 1 322 . 1 . 1 104 104 ARG C C 13 177.3668 0.3 . 1 . . . . . 104 ARG C . 51105 1 323 . 1 . 1 104 104 ARG CA C 13 62.4014 0.3 . 1 . . . . . 104 ARG CA . 51105 1 324 . 1 . 1 104 104 ARG N N 15 123.459 0.3 . 1 . . . . . 104 ARG N . 51105 1 325 . 1 . 1 105 105 GLN H H 1 8.0691 0.020 . 1 . . . . . 105 GLN H . 51105 1 326 . 1 . 1 105 105 GLN C C 13 178.2418 0.3 . 1 . . . . . 105 GLN C . 51105 1 327 . 1 . 1 105 105 GLN CA C 13 60.8174 0.3 . 1 . . . . . 105 GLN CA . 51105 1 328 . 1 . 1 105 105 GLN N N 15 117.975 0.3 . 1 . . . . . 105 GLN N . 51105 1 329 . 1 . 1 106 106 ALA H H 1 8.0121 0.020 . 1 . . . . . 106 ALA H . 51105 1 330 . 1 . 1 106 106 ALA C C 13 180.9828 0.3 . 1 . . . . . 106 ALA C . 51105 1 331 . 1 . 1 106 106 ALA CA C 13 57.3614 0.3 . 1 . . . . . 106 ALA CA . 51105 1 332 . 1 . 1 106 106 ALA N N 15 120.295 0.3 . 1 . . . . . 106 ALA N . 51105 1 333 . 1 . 1 107 107 TYR H H 1 8.2741 0.020 . 1 . . . . . 107 TYR H . 51105 1 334 . 1 . 1 107 107 TYR C C 13 179.4388 0.3 . 1 . . . . . 107 TYR C . 51105 1 335 . 1 . 1 107 107 TYR CA C 13 63.3924 0.3 . 1 . . . . . 107 TYR CA . 51105 1 336 . 1 . 1 107 107 TYR N N 15 120.9 0.3 . 1 . . . . . 107 TYR N . 51105 1 337 . 1 . 1 108 108 LEU H H 1 8.6521 0.020 . 1 . . . . . 108 LEU H . 51105 1 338 . 1 . 1 108 108 LEU C C 13 180.5368 0.3 . 1 . . . . . 108 LEU C . 51105 1 339 . 1 . 1 108 108 LEU CA C 13 60.2064 0.3 . 1 . . . . . 108 LEU CA . 51105 1 340 . 1 . 1 108 108 LEU N N 15 119.891 0.3 . 1 . . . . . 108 LEU N . 51105 1 341 . 1 . 1 109 109 ASP H H 1 8.5751 0.020 . 1 . . . . . 109 ASP H . 51105 1 342 . 1 . 1 109 109 ASP C C 13 178.6488 0.3 . 1 . . . . . 109 ASP C . 51105 1 343 . 1 . 1 109 109 ASP CA C 13 59.6984 0.3 . 1 . . . . . 109 ASP CA . 51105 1 344 . 1 . 1 109 109 ASP N N 15 122.118 0.3 . 1 . . . . . 109 ASP N . 51105 1 345 . 1 . 1 110 110 ALA H H 1 7.7951 0.020 . 1 . . . . . 110 ALA H . 51105 1 346 . 1 . 1 110 110 ALA C C 13 180.6368 0.3 . 1 . . . . . 110 ALA C . 51105 1 347 . 1 . 1 110 110 ALA CA C 13 57.1474 0.3 . 1 . . . . . 110 ALA CA . 51105 1 348 . 1 . 1 110 110 ALA N N 15 123.447 0.3 . 1 . . . . . 110 ALA N . 51105 1 349 . 1 . 1 111 111 LEU H H 1 8.4201 0.020 . 1 . . . . . 111 LEU H . 51105 1 350 . 1 . 1 111 111 LEU C C 13 178.0688 0.3 . 1 . . . . . 111 LEU C . 51105 1 351 . 1 . 1 111 111 LEU CA C 13 59.8394 0.3 . 1 . . . . . 111 LEU CA . 51105 1 352 . 1 . 1 111 111 LEU N N 15 120.793 0.3 . 1 . . . . . 111 LEU N . 51105 1 353 . 1 . 1 112 112 ARG H H 1 7.8401 0.020 . 1 . . . . . 112 ARG H . 51105 1 354 . 1 . 1 112 112 ARG C C 13 178.4618 0.3 . 1 . . . . . 112 ARG C . 51105 1 355 . 1 . 1 112 112 ARG CA C 13 61.9084 0.3 . 1 . . . . . 112 ARG CA . 51105 1 356 . 1 . 1 112 112 ARG N N 15 118.197 0.3 . 1 . . . . . 112 ARG N . 51105 1 357 . 1 . 1 113 113 GLN H H 1 7.7951 0.020 . 1 . . . . . 113 GLN H . 51105 1 358 . 1 . 1 113 113 GLN C C 13 178.4128 0.3 . 1 . . . . . 113 GLN C . 51105 1 359 . 1 . 1 113 113 GLN CA C 13 60.8754 0.3 . 1 . . . . . 113 GLN CA . 51105 1 360 . 1 . 1 113 113 GLN N N 15 115.954 0.3 . 1 . . . . . 113 GLN N . 51105 1 361 . 1 . 1 114 114 ARG H H 1 7.6861 0.020 . 1 . . . . . 114 ARG H . 51105 1 362 . 1 . 1 114 114 ARG C C 13 178.5548 0.3 . 1 . . . . . 114 ARG C . 51105 1 363 . 1 . 1 114 114 ARG CA C 13 60.5534 0.3 . 1 . . . . . 114 ARG CA . 51105 1 364 . 1 . 1 114 114 ARG N N 15 117.23 0.3 . 1 . . . . . 114 ARG N . 51105 1 365 . 1 . 1 115 115 LEU H H 1 8.2041 0.020 . 1 . . . . . 115 LEU H . 51105 1 366 . 1 . 1 115 115 LEU C C 13 180.4928 0.3 . 1 . . . . . 115 LEU C . 51105 1 367 . 1 . 1 115 115 LEU CA C 13 58.5814 0.3 . 1 . . . . . 115 LEU CA . 51105 1 368 . 1 . 1 115 115 LEU N N 15 117.028 0.3 . 1 . . . . . 115 LEU N . 51105 1 369 . 1 . 1 116 116 SER H H 1 8.2051 0.020 . 1 . . . . . 116 SER H . 51105 1 370 . 1 . 1 116 116 SER C C 13 174.1148 0.3 . 1 . . . . . 116 SER C . 51105 1 371 . 1 . 1 116 116 SER CA C 13 64.2604 0.3 . 1 . . . . . 116 SER CA . 51105 1 372 . 1 . 1 116 116 SER N N 15 114 0.3 . 1 . . . . . 116 SER N . 51105 1 373 . 1 . 1 118 118 ARG H H 1 6.3021 0.020 . 1 . . . . . 118 ARG H . 51105 1 374 . 1 . 1 118 118 ARG C C 13 173.4538 0.3 . 1 . . . . . 118 ARG C . 51105 1 375 . 1 . 1 118 118 ARG CA C 13 58.6544 0.3 . 1 . . . . . 118 ARG CA . 51105 1 376 . 1 . 1 118 118 ARG N N 15 119.151 0.3 . 1 . . . . . 118 ARG N . 51105 1 377 . 1 . 1 119 119 LEU H H 1 8.3741 0.020 . 1 . . . . . 119 LEU H . 51105 1 378 . 1 . 1 119 119 LEU C C 13 177.1148 0.3 . 1 . . . . . 119 LEU C . 51105 1 379 . 1 . 1 119 119 LEU CA C 13 54.5554 0.3 . 1 . . . . . 119 LEU CA . 51105 1 380 . 1 . 1 119 119 LEU N N 15 127.443 0.3 . 1 . . . . . 119 LEU N . 51105 1 381 . 1 . 1 120 120 LEU H H 1 9.1961 0.020 . 1 . . . . . 120 LEU H . 51105 1 382 . 1 . 1 120 120 LEU C C 13 178.3608 0.3 . 1 . . . . . 120 LEU C . 51105 1 383 . 1 . 1 120 120 LEU CA C 13 58.4584 0.3 . 1 . . . . . 120 LEU CA . 51105 1 384 . 1 . 1 120 120 LEU N N 15 129.998 0.3 . 1 . . . . . 120 LEU N . 51105 1 385 . 1 . 1 121 121 ARG H H 1 9.9751 0.020 . 1 . . . . . 121 ARG H . 51105 1 386 . 1 . 1 121 121 ARG C C 13 178.0868 0.3 . 1 . . . . . 121 ARG C . 51105 1 387 . 1 . 1 121 121 ARG CA C 13 57.2524 0.3 . 1 . . . . . 121 ARG CA . 51105 1 388 . 1 . 1 121 121 ARG N N 15 124.817 0.3 . 1 . . . . . 121 ARG N . 51105 1 389 . 1 . 1 122 122 VAL H H 1 7.9521 0.020 . 1 . . . . . 122 VAL H . 51105 1 390 . 1 . 1 122 122 VAL C C 13 178.7528 0.3 . 1 . . . . . 122 VAL C . 51105 1 391 . 1 . 1 122 122 VAL CA C 13 66.8914 0.3 . 1 . . . . . 122 VAL CA . 51105 1 392 . 1 . 1 122 122 VAL N N 15 120.305 0.3 . 1 . . . . . 122 VAL N . 51105 1 393 . 1 . 1 123 123 GLU H H 1 10.2511 0.020 . 1 . . . . . 123 GLU H . 51105 1 394 . 1 . 1 123 123 GLU C C 13 177.6348 0.3 . 1 . . . . . 123 GLU C . 51105 1 395 . 1 . 1 123 123 GLU CA C 13 60.7544 0.3 . 1 . . . . . 123 GLU CA . 51105 1 396 . 1 . 1 123 123 GLU N N 15 124.061 0.3 . 1 . . . . . 123 GLU N . 51105 1 397 . 1 . 1 126 126 GLU H H 1 7.3101 0.020 . 1 . . . . . 126 GLU H . 51105 1 398 . 1 . 1 126 126 GLU C C 13 173.6928 0.3 . 1 . . . . . 126 GLU C . 51105 1 399 . 1 . 1 126 126 GLU CA C 13 57.1494 0.3 . 1 . . . . . 126 GLU CA . 51105 1 400 . 1 . 1 126 126 GLU N N 15 123.029 0.3 . 1 . . . . . 126 GLU N . 51105 1 401 . 1 . 1 127 127 THR H H 1 8.0541 0.020 . 1 . . . . . 127 THR H . 51105 1 402 . 1 . 1 127 127 THR C C 13 172.9248 0.3 . 1 . . . . . 127 THR C . 51105 1 403 . 1 . 1 127 127 THR CA C 13 63.3764 0.3 . 1 . . . . . 127 THR CA . 51105 1 404 . 1 . 1 127 127 THR N N 15 114.25 0.3 . 1 . . . . . 127 THR N . 51105 1 405 . 1 . 1 128 128 PHE H H 1 7.5741 0.020 . 1 . . . . . 128 PHE H . 51105 1 406 . 1 . 1 128 128 PHE C C 13 173.0928 0.3 . 1 . . . . . 128 PHE C . 51105 1 407 . 1 . 1 128 128 PHE CA C 13 58.0164 0.3 . 1 . . . . . 128 PHE CA . 51105 1 408 . 1 . 1 128 128 PHE N N 15 114.41 0.3 . 1 . . . . . 128 PHE N . 51105 1 409 . 1 . 1 130 130 PHE H H 1 9.0601 0.020 . 1 . . . . . 130 PHE H . 51105 1 410 . 1 . 1 130 130 PHE C C 13 173.8808 0.3 . 1 . . . . . 130 PHE C . 51105 1 411 . 1 . 1 130 130 PHE CA C 13 59.7614 0.3 . 1 . . . . . 130 PHE CA . 51105 1 412 . 1 . 1 130 130 PHE N N 15 120.547 0.3 . 1 . . . . . 130 PHE N . 51105 1 413 . 1 . 1 132 132 LEU H H 1 9.4001 0.020 . 1 . . . . . 132 LEU H . 51105 1 414 . 1 . 1 132 132 LEU C C 13 173.5178 0.3 . 1 . . . . . 132 LEU C . 51105 1 415 . 1 . 1 132 132 LEU CA C 13 56.0594 0.3 . 1 . . . . . 132 LEU CA . 51105 1 416 . 1 . 1 132 132 LEU N N 15 126.063 0.3 . 1 . . . . . 132 LEU N . 51105 1 417 . 1 . 1 133 133 THR H H 1 10.1891 0.020 . 1 . . . . . 133 THR H . 51105 1 418 . 1 . 1 133 133 THR C C 13 175.1918 0.3 . 1 . . . . . 133 THR C . 51105 1 419 . 1 . 1 133 133 THR CA C 13 64.3414 0.3 . 1 . . . . . 133 THR CA . 51105 1 420 . 1 . 1 133 133 THR N N 15 127.692 0.3 . 1 . . . . . 133 THR N . 51105 1 421 . 1 . 1 134 134 LEU H H 1 8.9701 0.020 . 1 . . . . . 134 LEU H . 51105 1 422 . 1 . 1 134 134 LEU C C 13 174.9008 0.3 . 1 . . . . . 134 LEU C . 51105 1 423 . 1 . 1 134 134 LEU CA C 13 56.3374 0.3 . 1 . . . . . 134 LEU CA . 51105 1 424 . 1 . 1 134 134 LEU N N 15 126.297 0.3 . 1 . . . . . 134 LEU N . 51105 1 425 . 1 . 1 135 135 LEU H H 1 8.1551 0.020 . 1 . . . . . 135 LEU H . 51105 1 426 . 1 . 1 135 135 LEU C C 13 173.9098 0.3 . 1 . . . . . 135 LEU C . 51105 1 427 . 1 . 1 135 135 LEU CA C 13 54.3094 0.3 . 1 . . . . . 135 LEU CA . 51105 1 428 . 1 . 1 135 135 LEU N N 15 122.762 0.3 . 1 . . . . . 135 LEU N . 51105 1 429 . 1 . 1 137 137 ASP H H 1 8.9831 0.020 . 1 . . . . . 137 ASP H . 51105 1 430 . 1 . 1 137 137 ASP C C 13 175.7248 0.3 . 1 . . . . . 137 ASP C . 51105 1 431 . 1 . 1 137 137 ASP CA C 13 57.9194 0.3 . 1 . . . . . 137 ASP CA . 51105 1 432 . 1 . 1 137 137 ASP N N 15 117.829 0.3 . 1 . . . . . 137 ASP N . 51105 1 433 . 1 . 1 138 138 ASN H H 1 8.9681 0.020 . 1 . . . . . 138 ASN H . 51105 1 434 . 1 . 1 138 138 ASN C C 13 174.4278 0.3 . 1 . . . . . 138 ASN C . 51105 1 435 . 1 . 1 138 138 ASN CA C 13 57.0374 0.3 . 1 . . . . . 138 ASN CA . 51105 1 436 . 1 . 1 138 138 ASN N N 15 110.268 0.3 . 1 . . . . . 138 ASN N . 51105 1 437 . 1 . 1 139 139 ARG H H 1 7.2311 0.020 . 1 . . . . . 139 ARG H . 51105 1 438 . 1 . 1 139 139 ARG C C 13 175.0698 0.3 . 1 . . . . . 139 ARG C . 51105 1 439 . 1 . 1 139 139 ARG CA C 13 58.4494 0.3 . 1 . . . . . 139 ARG CA . 51105 1 440 . 1 . 1 139 139 ARG N N 15 118.986 0.3 . 1 . . . . . 139 ARG N . 51105 1 441 . 1 . 1 140 140 HIS H H 1 8.3271 0.020 . 1 . . . . . 140 HIS H . 51105 1 442 . 1 . 1 140 140 HIS C C 13 174.0388 0.3 . 1 . . . . . 140 HIS C . 51105 1 443 . 1 . 1 140 140 HIS CA C 13 58.6084 0.3 . 1 . . . . . 140 HIS CA . 51105 1 444 . 1 . 1 140 140 HIS N N 15 118.669 0.3 . 1 . . . . . 140 HIS N . 51105 1 445 . 1 . 1 141 141 ARG H H 1 9.3691 0.020 . 1 . . . . . 141 ARG H . 51105 1 446 . 1 . 1 141 141 ARG C C 13 173.6358 0.3 . 1 . . . . . 141 ARG C . 51105 1 447 . 1 . 1 141 141 ARG CA C 13 57.1504 0.3 . 1 . . . . . 141 ARG CA . 51105 1 448 . 1 . 1 141 141 ARG N N 15 122.008 0.3 . 1 . . . . . 141 ARG N . 51105 1 449 . 1 . 1 142 142 LEU H H 1 9.9441 0.020 . 1 . . . . . 142 LEU H . 51105 1 450 . 1 . 1 142 142 LEU C C 13 174.7738 0.3 . 1 . . . . . 142 LEU C . 51105 1 451 . 1 . 1 142 142 LEU CA C 13 55.5964 0.3 . 1 . . . . . 142 LEU CA . 51105 1 452 . 1 . 1 142 142 LEU N N 15 129.143 0.3 . 1 . . . . . 142 LEU N . 51105 1 453 . 1 . 1 143 143 HIS H H 1 9.9541 0.020 . 1 . . . . . 143 HIS H . 51105 1 454 . 1 . 1 143 143 HIS C C 13 174.9368 0.3 . 1 . . . . . 143 HIS C . 51105 1 455 . 1 . 1 143 143 HIS CA C 13 57.3714 0.3 . 1 . . . . . 143 HIS CA . 51105 1 456 . 1 . 1 143 143 HIS N N 15 127.334 0.3 . 1 . . . . . 143 HIS N . 51105 1 457 . 1 . 1 144 144 VAL H H 1 8.8241 0.020 . 1 . . . . . 144 VAL H . 51105 1 458 . 1 . 1 144 144 VAL C C 13 173.6928 0.3 . 1 . . . . . 144 VAL C . 51105 1 459 . 1 . 1 144 144 VAL CA C 13 63.9924 0.3 . 1 . . . . . 144 VAL CA . 51105 1 460 . 1 . 1 144 144 VAL N N 15 125.511 0.3 . 1 . . . . . 144 VAL N . 51105 1 461 . 1 . 1 146 146 ILE H H 1 9.0471 0.020 . 1 . . . . . 146 ILE H . 51105 1 462 . 1 . 1 146 146 ILE C C 13 173.4968 0.3 . 1 . . . . . 146 ILE C . 51105 1 463 . 1 . 1 146 146 ILE CA C 13 64.4384 0.3 . 1 . . . . . 146 ILE CA . 51105 1 464 . 1 . 1 146 146 ILE N N 15 119.274 0.3 . 1 . . . . . 146 ILE N . 51105 1 465 . 1 . 1 147 147 ASP H H 1 8.8751 0.020 . 1 . . . . . 147 ASP H . 51105 1 466 . 1 . 1 147 147 ASP C C 13 175.6958 0.3 . 1 . . . . . 147 ASP C . 51105 1 467 . 1 . 1 147 147 ASP CA C 13 56.7034 0.3 . 1 . . . . . 147 ASP CA . 51105 1 468 . 1 . 1 147 147 ASP N N 15 129.08 0.3 . 1 . . . . . 147 ASP N . 51105 1 469 . 1 . 1 150 150 ILE H H 1 7.5921 0.020 . 1 . . . . . 150 ILE H . 51105 1 470 . 1 . 1 150 150 ILE C C 13 174.1528 0.3 . 1 . . . . . 150 ILE C . 51105 1 471 . 1 . 1 150 150 ILE CA C 13 64.0414 0.3 . 1 . . . . . 150 ILE CA . 51105 1 472 . 1 . 1 150 150 ILE N N 15 104.023 0.3 . 1 . . . . . 150 ILE N . 51105 1 473 . 1 . 1 151 151 MET H H 1 6.4811 0.020 . 1 . . . . . 151 MET H . 51105 1 474 . 1 . 1 151 151 MET C C 13 171.0348 0.3 . 1 . . . . . 151 MET C . 51105 1 475 . 1 . 1 151 151 MET CA C 13 56.8654 0.3 . 1 . . . . . 151 MET CA . 51105 1 476 . 1 . 1 151 151 MET N N 15 111.405 0.3 . 1 . . . . . 151 MET N . 51105 1 477 . 1 . 1 158 158 LEU H H 1 6.5671 0.020 . 1 . . . . . 158 LEU H . 51105 1 478 . 1 . 1 158 158 LEU C C 13 179.4498 0.3 . 1 . . . . . 158 LEU C . 51105 1 479 . 1 . 1 158 158 LEU CA C 13 59.5854 0.3 . 1 . . . . . 158 LEU CA . 51105 1 480 . 1 . 1 158 158 LEU N N 15 119.916 0.3 . 1 . . . . . 158 LEU N . 51105 1 481 . 1 . 1 159 159 PHE H H 1 7.7361 0.020 . 1 . . . . . 159 PHE H . 51105 1 482 . 1 . 1 159 159 PHE C C 13 176.9218 0.3 . 1 . . . . . 159 PHE C . 51105 1 483 . 1 . 1 159 159 PHE CA C 13 62.3044 0.3 . 1 . . . . . 159 PHE CA . 51105 1 484 . 1 . 1 159 159 PHE N N 15 119.625 0.3 . 1 . . . . . 159 PHE N . 51105 1 485 . 1 . 1 160 160 PHE H H 1 8.9991 0.020 . 1 . . . . . 160 PHE H . 51105 1 486 . 1 . 1 160 160 PHE C C 13 178.8098 0.3 . 1 . . . . . 160 PHE C . 51105 1 487 . 1 . 1 160 160 PHE CA C 13 62.9474 0.3 . 1 . . . . . 160 PHE CA . 51105 1 488 . 1 . 1 160 160 PHE N N 15 114.854 0.3 . 1 . . . . . 160 PHE N . 51105 1 489 . 1 . 1 161 161 ASP H H 1 8.8721 0.020 . 1 . . . . . 161 ASP H . 51105 1 490 . 1 . 1 161 161 ASP C C 13 179.5698 0.3 . 1 . . . . . 161 ASP C . 51105 1 491 . 1 . 1 161 161 ASP CA C 13 60.6474 0.3 . 1 . . . . . 161 ASP CA . 51105 1 492 . 1 . 1 161 161 ASP N N 15 120.997 0.3 . 1 . . . . . 161 ASP N . 51105 1 493 . 1 . 1 162 162 GLU H H 1 8.1551 0.020 . 1 . . . . . 162 GLU H . 51105 1 494 . 1 . 1 162 162 GLU C C 13 178.4268 0.3 . 1 . . . . . 162 GLU C . 51105 1 495 . 1 . 1 162 162 GLU CA C 13 63.6744 0.3 . 1 . . . . . 162 GLU CA . 51105 1 496 . 1 . 1 162 162 GLU N N 15 121.091 0.3 . 1 . . . . . 162 GLU N . 51105 1 497 . 1 . 1 165 165 ALA H H 1 8.3901 0.020 . 1 . . . . . 165 ALA H . 51105 1 498 . 1 . 1 165 165 ALA C C 13 180.0938 0.3 . 1 . . . . . 165 ALA C . 51105 1 499 . 1 . 1 165 165 ALA CA C 13 57.9394 0.3 . 1 . . . . . 165 ALA CA . 51105 1 500 . 1 . 1 165 165 ALA N N 15 122.243 0.3 . 1 . . . . . 165 ALA N . 51105 1 501 . 1 . 1 166 166 LEU H H 1 8.2271 0.020 . 1 . . . . . 166 LEU H . 51105 1 502 . 1 . 1 166 166 LEU C C 13 182.7548 0.3 . 1 . . . . . 166 LEU C . 51105 1 503 . 1 . 1 166 166 LEU CA C 13 59.9084 0.3 . 1 . . . . . 166 LEU CA . 51105 1 504 . 1 . 1 166 166 LEU N N 15 117.522 0.3 . 1 . . . . . 166 LEU N . 51105 1 505 . 1 . 1 167 167 LEU H H 1 8.5381 0.020 . 1 . . . . . 167 LEU H . 51105 1 506 . 1 . 1 167 167 LEU C C 13 178.8408 0.3 . 1 . . . . . 167 LEU C . 51105 1 507 . 1 . 1 167 167 LEU CA C 13 59.6784 0.3 . 1 . . . . . 167 LEU CA . 51105 1 508 . 1 . 1 167 167 LEU N N 15 121.181 0.3 . 1 . . . . . 167 LEU N . 51105 1 509 . 1 . 1 168 168 ALA H H 1 8.1151 0.020 . 1 . . . . . 168 ALA H . 51105 1 510 . 1 . 1 168 168 ALA C C 13 177.7388 0.3 . 1 . . . . . 168 ALA C . 51105 1 511 . 1 . 1 168 168 ALA CA C 13 54.4294 0.3 . 1 . . . . . 168 ALA CA . 51105 1 512 . 1 . 1 168 168 ALA N N 15 120.189 0.3 . 1 . . . . . 168 ALA N . 51105 1 513 . 1 . 1 169 169 GLY H H 1 7.9521 0.020 . 1 . . . . . 169 GLY H . 51105 1 514 . 1 . 1 169 169 GLY C C 13 175.1778 0.3 . 1 . . . . . 169 GLY C . 51105 1 515 . 1 . 1 169 169 GLY CA C 13 47.9614 0.3 . 1 . . . . . 169 GLY CA . 51105 1 516 . 1 . 1 169 169 GLY N N 15 107.381 0.3 . 1 . . . . . 169 GLY N . 51105 1 517 . 1 . 1 170 170 GLU H H 1 8.3341 0.020 . 1 . . . . . 170 GLU H . 51105 1 518 . 1 . 1 170 170 GLU C C 13 176.2218 0.3 . 1 . . . . . 170 GLU C . 51105 1 519 . 1 . 1 170 170 GLU CA C 13 57.7674 0.3 . 1 . . . . . 170 GLU CA . 51105 1 520 . 1 . 1 170 170 GLU N N 15 120.306 0.3 . 1 . . . . . 170 GLU N . 51105 1 521 . 1 . 1 171 171 SER H H 1 8.3971 0.020 . 1 . . . . . 171 SER H . 51105 1 522 . 1 . 1 171 171 SER C C 13 174.2578 0.3 . 1 . . . . . 171 SER C . 51105 1 523 . 1 . 1 171 171 SER CA C 13 59.9044 0.3 . 1 . . . . . 171 SER CA . 51105 1 524 . 1 . 1 171 171 SER N N 15 114.853 0.3 . 1 . . . . . 171 SER N . 51105 1 525 . 1 . 1 172 172 LEU H H 1 8.5621 0.020 . 1 . . . . . 172 LEU H . 51105 1 526 . 1 . 1 172 172 LEU C C 13 175.4218 0.3 . 1 . . . . . 172 LEU C . 51105 1 527 . 1 . 1 172 172 LEU CA C 13 54.4184 0.3 . 1 . . . . . 172 LEU CA . 51105 1 528 . 1 . 1 172 172 LEU N N 15 124.175 0.3 . 1 . . . . . 172 LEU N . 51105 1 529 . 1 . 1 174 174 ALA H H 1 8.6641 0.020 . 1 . . . . . 174 ALA H . 51105 1 530 . 1 . 1 174 174 ALA C C 13 178.2458 0.3 . 1 . . . . . 174 ALA C . 51105 1 531 . 1 . 1 174 174 ALA CA C 13 55.0774 0.3 . 1 . . . . . 174 ALA CA . 51105 1 532 . 1 . 1 174 174 ALA N N 15 125.149 0.3 . 1 . . . . . 174 ALA N . 51105 1 533 . 1 . 1 175 175 ILE H H 1 8.4371 0.020 . 1 . . . . . 175 ILE H . 51105 1 534 . 1 . 1 175 175 ILE C C 13 175.9698 0.3 . 1 . . . . . 175 ILE C . 51105 1 535 . 1 . 1 175 175 ILE CA C 13 60.9274 0.3 . 1 . . . . . 175 ILE CA . 51105 1 536 . 1 . 1 175 175 ILE N N 15 122.667 0.3 . 1 . . . . . 175 ILE N . 51105 1 537 . 1 . 1 176 176 ASP H H 1 8.9381 0.020 . 1 . . . . . 176 ASP H . 51105 1 538 . 1 . 1 176 176 ASP C C 13 177.8278 0.3 . 1 . . . . . 176 ASP C . 51105 1 539 . 1 . 1 176 176 ASP CA C 13 56.7304 0.3 . 1 . . . . . 176 ASP CA . 51105 1 540 . 1 . 1 176 176 ASP N N 15 126.938 0.3 . 1 . . . . . 176 ASP N . 51105 1 541 . 1 . 1 177 177 THR H H 1 8.5281 0.020 . 1 . . . . . 177 THR H . 51105 1 542 . 1 . 1 177 177 THR C C 13 175.8398 0.3 . 1 . . . . . 177 THR C . 51105 1 543 . 1 . 1 177 177 THR CA C 13 64.5954 0.3 . 1 . . . . . 177 THR CA . 51105 1 544 . 1 . 1 177 177 THR N N 15 117.604 0.3 . 1 . . . . . 177 THR N . 51105 1 545 . 1 . 1 178 178 ARG H H 1 8.7661 0.020 . 1 . . . . . 178 ARG H . 51105 1 546 . 1 . 1 178 178 ARG C C 13 175.9318 0.3 . 1 . . . . . 178 ARG C . 51105 1 547 . 1 . 1 178 178 ARG CA C 13 59.7914 0.3 . 1 . . . . . 178 ARG CA . 51105 1 548 . 1 . 1 178 178 ARG N N 15 121.096 0.3 . 1 . . . . . 178 ARG N . 51105 1 549 . 1 . 1 179 179 TYR H H 1 7.1721 0.020 . 1 . . . . . 179 TYR H . 51105 1 550 . 1 . 1 179 179 TYR C C 13 173.5348 0.3 . 1 . . . . . 179 TYR C . 51105 1 551 . 1 . 1 179 179 TYR CA C 13 59.2324 0.3 . 1 . . . . . 179 TYR CA . 51105 1 552 . 1 . 1 179 179 TYR N N 15 122.001 0.3 . 1 . . . . . 179 TYR N . 51105 1 553 . 1 . 1 180 180 ASP H H 1 8.2021 0.020 . 1 . . . . . 180 ASP H . 51105 1 554 . 1 . 1 180 180 ASP C C 13 177.1798 0.3 . 1 . . . . . 180 ASP C . 51105 1 555 . 1 . 1 180 180 ASP CA C 13 54.0854 0.3 . 1 . . . . . 180 ASP CA . 51105 1 556 . 1 . 1 180 180 ASP N N 15 126.239 0.3 . 1 . . . . . 180 ASP N . 51105 1 557 . 1 . 1 181 181 PHE H H 1 8.4261 0.020 . 1 . . . . . 181 PHE H . 51105 1 558 . 1 . 1 181 181 PHE C C 13 177.4678 0.3 . 1 . . . . . 181 PHE C . 51105 1 559 . 1 . 1 181 181 PHE CA C 13 62.6214 0.3 . 1 . . . . . 181 PHE CA . 51105 1 560 . 1 . 1 181 181 PHE N N 15 116.65 0.3 . 1 . . . . . 181 PHE N . 51105 1 561 . 1 . 1 182 182 ARG H H 1 7.6001 0.020 . 1 . . . . . 182 ARG H . 51105 1 562 . 1 . 1 182 182 ARG C C 13 177.6928 0.3 . 1 . . . . . 182 ARG C . 51105 1 563 . 1 . 1 182 182 ARG CA C 13 62.1674 0.3 . 1 . . . . . 182 ARG CA . 51105 1 564 . 1 . 1 182 182 ARG N N 15 116.311 0.3 . 1 . . . . . 182 ARG N . 51105 1 565 . 1 . 1 183 183 SER H H 1 7.4151 0.020 . 1 . . . . . 183 SER H . 51105 1 566 . 1 . 1 183 183 SER C C 13 174.9848 0.3 . 1 . . . . . 183 SER C . 51105 1 567 . 1 . 1 183 183 SER CA C 13 62.7384 0.3 . 1 . . . . . 183 SER CA . 51105 1 568 . 1 . 1 183 183 SER N N 15 115.057 0.3 . 1 . . . . . 183 SER N . 51105 1 569 . 1 . 1 184 184 TYR H H 1 8.1591 0.020 . 1 . . . . . 184 TYR H . 51105 1 570 . 1 . 1 184 184 TYR C C 13 176.8918 0.3 . 1 . . . . . 184 TYR C . 51105 1 571 . 1 . 1 184 184 TYR CA C 13 62.3044 0.3 . 1 . . . . . 184 TYR CA . 51105 1 572 . 1 . 1 184 184 TYR N N 15 118.977 0.3 . 1 . . . . . 184 TYR N . 51105 1 573 . 1 . 1 185 185 LEU H H 1 8.1041 0.020 . 1 . . . . . 185 LEU H . 51105 1 574 . 1 . 1 185 185 LEU C C 13 181.8148 0.3 . 1 . . . . . 185 LEU C . 51105 1 575 . 1 . 1 185 185 LEU CA C 13 60.0044 0.3 . 1 . . . . . 185 LEU CA . 51105 1 576 . 1 . 1 185 185 LEU N N 15 117.951 0.3 . 1 . . . . . 185 LEU N . 51105 1 577 . 1 . 1 186 186 LEU H H 1 7.9271 0.020 . 1 . . . . . 186 LEU H . 51105 1 578 . 1 . 1 186 186 LEU C C 13 179.0028 0.3 . 1 . . . . . 186 LEU C . 51105 1 579 . 1 . 1 186 186 LEU CA C 13 60.1154 0.3 . 1 . . . . . 186 LEU CA . 51105 1 580 . 1 . 1 186 186 LEU N N 15 121.469 0.3 . 1 . . . . . 186 LEU N . 51105 1 581 . 1 . 1 187 187 HIS H H 1 8.4871 0.020 . 1 . . . . . 187 HIS H . 51105 1 582 . 1 . 1 187 187 HIS C C 13 178.4478 0.3 . 1 . . . . . 187 HIS C . 51105 1 583 . 1 . 1 187 187 HIS CA C 13 59.2264 0.3 . 1 . . . . . 187 HIS CA . 51105 1 584 . 1 . 1 187 187 HIS N N 15 124.982 0.3 . 1 . . . . . 187 HIS N . 51105 1 585 . 1 . 1 188 188 GLN H H 1 8.9631 0.020 . 1 . . . . . 188 GLN H . 51105 1 586 . 1 . 1 188 188 GLN C C 13 178.4948 0.3 . 1 . . . . . 188 GLN C . 51105 1 587 . 1 . 1 188 188 GLN CA C 13 61.3374 0.3 . 1 . . . . . 188 GLN CA . 51105 1 588 . 1 . 1 188 188 GLN N N 15 117.203 0.3 . 1 . . . . . 188 GLN N . 51105 1 589 . 1 . 1 189 189 GLN H H 1 7.8891 0.020 . 1 . . . . . 189 GLN H . 51105 1 590 . 1 . 1 189 189 GLN C C 13 178.5388 0.3 . 1 . . . . . 189 GLN C . 51105 1 591 . 1 . 1 189 189 GLN CA C 13 61.1604 0.3 . 1 . . . . . 189 GLN CA . 51105 1 592 . 1 . 1 189 189 GLN N N 15 118.128 0.3 . 1 . . . . . 189 GLN N . 51105 1 593 . 1 . 1 190 190 LYS H H 1 7.5851 0.020 . 1 . . . . . 190 LYS H . 51105 1 594 . 1 . 1 190 190 LYS C C 13 179.6268 0.3 . 1 . . . . . 190 LYS C . 51105 1 595 . 1 . 1 190 190 LYS CA C 13 61.0824 0.3 . 1 . . . . . 190 LYS CA . 51105 1 596 . 1 . 1 190 190 LYS N N 15 117.669 0.3 . 1 . . . . . 190 LYS N . 51105 1 597 . 1 . 1 191 191 ILE H H 1 8.1071 0.020 . 1 . . . . . 191 ILE H . 51105 1 598 . 1 . 1 191 191 ILE C C 13 178.1158 0.3 . 1 . . . . . 191 ILE C . 51105 1 599 . 1 . 1 191 191 ILE CA C 13 65.2494 0.3 . 1 . . . . . 191 ILE CA . 51105 1 600 . 1 . 1 191 191 ILE N N 15 116.431 0.3 . 1 . . . . . 191 ILE N . 51105 1 601 . 1 . 1 192 192 ASN H H 1 8.6081 0.020 . 1 . . . . . 192 ASN H . 51105 1 602 . 1 . 1 192 192 ASN C C 13 177.0788 0.3 . 1 . . . . . 192 ASN C . 51105 1 603 . 1 . 1 192 192 ASN CA C 13 55.3074 0.3 . 1 . . . . . 192 ASN CA . 51105 1 604 . 1 . 1 192 192 ASN N N 15 115.157 0.3 . 1 . . . . . 192 ASN N . 51105 1 605 . 1 . 1 193 193 GLN H H 1 7.6061 0.020 . 1 . . . . . 193 GLN H . 51105 1 606 . 1 . 1 193 193 GLN C C 13 174.6138 0.3 . 1 . . . . . 193 GLN C . 51105 1 607 . 1 . 1 193 193 GLN CA C 13 64.0094 0.3 . 1 . . . . . 193 GLN CA . 51105 1 608 . 1 . 1 193 193 GLN N N 15 122.302 0.3 . 1 . . . . . 193 GLN N . 51105 1 609 . 1 . 1 195 195 LEU H H 1 6.9961 0.020 . 1 . . . . . 195 LEU H . 51105 1 610 . 1 . 1 195 195 LEU C C 13 180.5148 0.3 . 1 . . . . . 195 LEU C . 51105 1 611 . 1 . 1 195 195 LEU CA C 13 58.8894 0.3 . 1 . . . . . 195 LEU CA . 51105 1 612 . 1 . 1 195 195 LEU N N 15 116.327 0.3 . 1 . . . . . 195 LEU N . 51105 1 613 . 1 . 1 196 196 ARG H H 1 8.5451 0.020 . 1 . . . . . 196 ARG H . 51105 1 614 . 1 . 1 196 196 ARG C C 13 178.2138 0.3 . 1 . . . . . 196 ARG C . 51105 1 615 . 1 . 1 196 196 ARG CA C 13 62.9594 0.3 . 1 . . . . . 196 ARG CA . 51105 1 616 . 1 . 1 196 196 ARG N N 15 122.293 0.3 . 1 . . . . . 196 ARG N . 51105 1 617 . 1 . 1 197 197 ASP H H 1 8.2681 0.020 . 1 . . . . . 197 ASP H . 51105 1 618 . 1 . 1 197 197 ASP C C 13 179.7508 0.3 . 1 . . . . . 197 ASP C . 51105 1 619 . 1 . 1 197 197 ASP CA C 13 60.2174 0.3 . 1 . . . . . 197 ASP CA . 51105 1 620 . 1 . 1 197 197 ASP N N 15 120.323 0.3 . 1 . . . . . 197 ASP N . 51105 1 621 . 1 . 1 198 198 ASP H H 1 8.2491 0.020 . 1 . . . . . 198 ASP H . 51105 1 622 . 1 . 1 198 198 ASP C C 13 179.2838 0.3 . 1 . . . . . 198 ASP C . 51105 1 623 . 1 . 1 198 198 ASP CA C 13 59.5894 0.3 . 1 . . . . . 198 ASP CA . 51105 1 624 . 1 . 1 198 198 ASP N N 15 121.352 0.3 . 1 . . . . . 198 ASP N . 51105 1 625 . 1 . 1 199 199 ALA H H 1 8.6021 0.020 . 1 . . . . . 199 ALA H . 51105 1 626 . 1 . 1 199 199 ALA C C 13 178.7858 0.3 . 1 . . . . . 199 ALA C . 51105 1 627 . 1 . 1 199 199 ALA CA C 13 57.8564 0.3 . 1 . . . . . 199 ALA CA . 51105 1 628 . 1 . 1 199 199 ALA N N 15 122.953 0.3 . 1 . . . . . 199 ALA N . 51105 1 629 . 1 . 1 200 200 ARG H H 1 8.4891 0.020 . 1 . . . . . 200 ARG H . 51105 1 630 . 1 . 1 200 200 ARG C C 13 177.3818 0.3 . 1 . . . . . 200 ARG C . 51105 1 631 . 1 . 1 200 200 ARG CA C 13 61.9684 0.3 . 1 . . . . . 200 ARG CA . 51105 1 632 . 1 . 1 200 200 ARG N N 15 120.983 0.3 . 1 . . . . . 200 ARG N . 51105 1 633 . 1 . 1 201 201 ALA H H 1 7.3941 0.020 . 1 . . . . . 201 ALA H . 51105 1 634 . 1 . 1 201 201 ALA C C 13 180.7528 0.3 . 1 . . . . . 201 ALA C . 51105 1 635 . 1 . 1 201 201 ALA CA C 13 57.3704 0.3 . 1 . . . . . 201 ALA CA . 51105 1 636 . 1 . 1 201 201 ALA N N 15 118.646 0.3 . 1 . . . . . 201 ALA N . 51105 1 637 . 1 . 1 202 202 TYR H H 1 7.8911 0.020 . 1 . . . . . 202 TYR H . 51105 1 638 . 1 . 1 202 202 TYR C C 13 178.2888 0.3 . 1 . . . . . 202 TYR C . 51105 1 639 . 1 . 1 202 202 TYR CA C 13 63.0544 0.3 . 1 . . . . . 202 TYR CA . 51105 1 640 . 1 . 1 202 202 TYR N N 15 119.937 0.3 . 1 . . . . . 202 TYR N . 51105 1 641 . 1 . 1 203 203 TRP H H 1 8.7791 0.020 . 1 . . . . . 203 TRP H . 51105 1 642 . 1 . 1 203 203 TRP C C 13 179.5278 0.3 . 1 . . . . . 203 TRP C . 51105 1 643 . 1 . 1 203 203 TRP CA C 13 62.9164 0.3 . 1 . . . . . 203 TRP CA . 51105 1 644 . 1 . 1 203 203 TRP N N 15 120.364 0.3 . 1 . . . . . 203 TRP N . 51105 1 645 . 1 . 1 204 204 LEU H H 1 8.9171 0.020 . 1 . . . . . 204 LEU H . 51105 1 646 . 1 . 1 204 204 LEU C C 13 180.5508 0.3 . 1 . . . . . 204 LEU C . 51105 1 647 . 1 . 1 204 204 LEU CA C 13 59.9884 0.3 . 1 . . . . . 204 LEU CA . 51105 1 648 . 1 . 1 204 204 LEU N N 15 117.842 0.3 . 1 . . . . . 204 LEU N . 51105 1 649 . 1 . 1 205 205 ALA H H 1 7.7421 0.020 . 1 . . . . . 205 ALA H . 51105 1 650 . 1 . 1 205 205 ALA C C 13 179.7228 0.3 . 1 . . . . . 205 ALA C . 51105 1 651 . 1 . 1 205 205 ALA CA C 13 56.7364 0.3 . 1 . . . . . 205 ALA CA . 51105 1 652 . 1 . 1 205 205 ALA N N 15 120.687 0.3 . 1 . . . . . 205 ALA N . 51105 1 653 . 1 . 1 206 206 LYS H H 1 7.3801 0.020 . 1 . . . . . 206 LYS H . 51105 1 654 . 1 . 1 206 206 LYS C C 13 178.8928 0.3 . 1 . . . . . 206 LYS C . 51105 1 655 . 1 . 1 206 206 LYS CA C 13 59.2424 0.3 . 1 . . . . . 206 LYS CA . 51105 1 656 . 1 . 1 206 206 LYS N N 15 114.436 0.3 . 1 . . . . . 206 LYS N . 51105 1 657 . 1 . 1 207 207 ALA H H 1 7.9521 0.020 . 1 . . . . . 207 ALA H . 51105 1 658 . 1 . 1 207 207 ALA C C 13 179.5618 0.3 . 1 . . . . . 207 ALA C . 51105 1 659 . 1 . 1 207 207 ALA CA C 13 58.2504 0.3 . 1 . . . . . 207 ALA CA . 51105 1 660 . 1 . 1 207 207 ALA N N 15 122.809 0.3 . 1 . . . . . 207 ALA N . 51105 1 661 . 1 . 1 208 208 SER H H 1 8.5351 0.020 . 1 . . . . . 208 SER H . 51105 1 662 . 1 . 1 208 208 SER C C 13 175.7688 0.3 . 1 . . . . . 208 SER C . 51105 1 663 . 1 . 1 208 208 SER CA C 13 63.3834 0.3 . 1 . . . . . 208 SER CA . 51105 1 664 . 1 . 1 208 208 SER N N 15 110.734 0.3 . 1 . . . . . 208 SER N . 51105 1 665 . 1 . 1 209 209 THR H H 1 7.9711 0.020 . 1 . . . . . 209 THR H . 51105 1 666 . 1 . 1 209 209 THR C C 13 174.9568 0.3 . 1 . . . . . 209 THR C . 51105 1 667 . 1 . 1 209 209 THR CA C 13 63.4784 0.3 . 1 . . . . . 209 THR CA . 51105 1 668 . 1 . 1 209 209 THR N N 15 109.67 0.3 . 1 . . . . . 209 THR N . 51105 1 669 . 1 . 1 210 210 LEU H H 1 7.2391 0.020 . 1 . . . . . 210 LEU H . 51105 1 670 . 1 . 1 210 210 LEU CA C 13 56.1954 0.3 . 1 . . . . . 210 LEU CA . 51105 1 671 . 1 . 1 210 210 LEU N N 15 122.838 0.3 . 1 . . . . . 210 LEU N . 51105 1 672 . 1 . 1 213 213 ALA H H 1 8.3751 0.020 . 1 . . . . . 213 ALA H . 51105 1 673 . 1 . 1 213 213 ALA C C 13 174.4548 0.3 . 1 . . . . . 213 ALA C . 51105 1 674 . 1 . 1 213 213 ALA CA C 13 53.9714 0.3 . 1 . . . . . 213 ALA CA . 51105 1 675 . 1 . 1 213 213 ALA N N 15 121.823 0.3 . 1 . . . . . 213 ALA N . 51105 1 676 . 1 . 1 215 215 VAL H H 1 7.0571 0.020 . 1 . . . . . 215 VAL H . 51105 1 677 . 1 . 1 215 215 VAL C C 13 175.0688 0.3 . 1 . . . . . 215 VAL C . 51105 1 678 . 1 . 1 215 215 VAL CA C 13 64.3384 0.3 . 1 . . . . . 215 VAL CA . 51105 1 679 . 1 . 1 215 215 VAL N N 15 123.922 0.3 . 1 . . . . . 215 VAL N . 51105 1 680 . 1 . 1 216 216 LEU H H 1 8.1981 0.020 . 1 . . . . . 216 LEU H . 51105 1 681 . 1 . 1 216 216 LEU C C 13 173.3478 0.3 . 1 . . . . . 216 LEU C . 51105 1 682 . 1 . 1 216 216 LEU CA C 13 53.3884 0.3 . 1 . . . . . 216 LEU CA . 51105 1 683 . 1 . 1 216 216 LEU N N 15 126.784 0.3 . 1 . . . . . 216 LEU N . 51105 1 684 . 1 . 1 218 218 LEU H H 1 7.7951 0.020 . 1 . . . . . 218 LEU H . 51105 1 685 . 1 . 1 218 218 LEU C C 13 179.2388 0.3 . 1 . . . . . 218 LEU C . 51105 1 686 . 1 . 1 218 218 LEU CA C 13 55.1294 0.3 . 1 . . . . . 218 LEU CA . 51105 1 687 . 1 . 1 218 218 LEU N N 15 119.847 0.3 . 1 . . . . . 218 LEU N . 51105 1 688 . 1 . 1 219 219 ALA H H 1 9.4791 0.020 . 1 . . . . . 219 ALA H . 51105 1 689 . 1 . 1 219 219 ALA C C 13 177.0788 0.3 . 1 . . . . . 219 ALA C . 51105 1 690 . 1 . 1 219 219 ALA CA C 13 54.4144 0.3 . 1 . . . . . 219 ALA CA . 51105 1 691 . 1 . 1 219 219 ALA N N 15 125.939 0.3 . 1 . . . . . 219 ALA N . 51105 1 692 . 1 . 1 220 220 CYS H H 1 7.3501 0.020 . 1 . . . . . 220 CYS H . 51105 1 693 . 1 . 1 220 220 CYS C C 13 172.0488 0.3 . 1 . . . . . 220 CYS C . 51105 1 694 . 1 . 1 220 220 CYS CA C 13 57.0384 0.3 . 1 . . . . . 220 CYS CA . 51105 1 695 . 1 . 1 220 220 CYS N N 15 111.007 0.3 . 1 . . . . . 220 CYS N . 51105 1 696 . 1 . 1 221 221 GLU H H 1 8.4861 0.020 . 1 . . . . . 221 GLU H . 51105 1 697 . 1 . 1 221 221 GLU C C 13 177.5258 0.3 . 1 . . . . . 221 GLU C . 51105 1 698 . 1 . 1 221 221 GLU CA C 13 56.1104 0.3 . 1 . . . . . 221 GLU CA . 51105 1 699 . 1 . 1 221 221 GLU N N 15 119.88 0.3 . 1 . . . . . 221 GLU N . 51105 1 700 . 1 . 1 223 223 ALA H H 1 9.1491 0.020 . 1 . . . . . 223 ALA H . 51105 1 701 . 1 . 1 223 223 ALA C C 13 178.5248 0.3 . 1 . . . . . 223 ALA C . 51105 1 702 . 1 . 1 223 223 ALA CA C 13 56.8114 0.3 . 1 . . . . . 223 ALA CA . 51105 1 703 . 1 . 1 223 223 ALA N N 15 116.616 0.3 . 1 . . . . . 223 ALA N . 51105 1 704 . 1 . 1 224 224 THR H H 1 8.1331 0.020 . 1 . . . . . 224 THR H . 51105 1 705 . 1 . 1 224 224 THR C C 13 175.0758 0.3 . 1 . . . . . 224 THR C . 51105 1 706 . 1 . 1 224 224 THR CA C 13 64.5404 0.3 . 1 . . . . . 224 THR CA . 51105 1 707 . 1 . 1 224 224 THR N N 15 106.565 0.3 . 1 . . . . . 224 THR N . 51105 1 708 . 1 . 1 225 225 LEU H H 1 7.2131 0.020 . 1 . . . . . 225 LEU H . 51105 1 709 . 1 . 1 225 225 LEU C C 13 177.2128 0.3 . 1 . . . . . 225 LEU C . 51105 1 710 . 1 . 1 225 225 LEU CA C 13 57.4874 0.3 . 1 . . . . . 225 LEU CA . 51105 1 711 . 1 . 1 225 225 LEU N N 15 123.592 0.3 . 1 . . . . . 225 LEU N . 51105 1 712 . 1 . 1 226 226 ARG H H 1 8.6621 0.020 . 1 . . . . . 226 ARG H . 51105 1 713 . 1 . 1 226 226 ARG C C 13 176.4758 0.3 . 1 . . . . . 226 ARG C . 51105 1 714 . 1 . 1 226 226 ARG CA C 13 59.7764 0.3 . 1 . . . . . 226 ARG CA . 51105 1 715 . 1 . 1 226 226 ARG N N 15 125.24 0.3 . 1 . . . . . 226 ARG N . 51105 1 716 . 1 . 1 227 227 GLU H H 1 7.7581 0.020 . 1 . . . . . 227 GLU H . 51105 1 717 . 1 . 1 227 227 GLU C C 13 174.4638 0.3 . 1 . . . . . 227 GLU C . 51105 1 718 . 1 . 1 227 227 GLU CA C 13 57.2634 0.3 . 1 . . . . . 227 GLU CA . 51105 1 719 . 1 . 1 227 227 GLU N N 15 117 0.3 . 1 . . . . . 227 GLU N . 51105 1 720 . 1 . 1 228 228 VAL H H 1 8.4751 0.020 . 1 . . . . . 228 VAL H . 51105 1 721 . 1 . 1 228 228 VAL C C 13 175.2318 0.3 . 1 . . . . . 228 VAL C . 51105 1 722 . 1 . 1 228 228 VAL CA C 13 65.0994 0.3 . 1 . . . . . 228 VAL CA . 51105 1 723 . 1 . 1 228 228 VAL N N 15 125.027 0.3 . 1 . . . . . 228 VAL N . 51105 1 724 . 1 . 1 229 229 ARG H H 1 8.4451 0.020 . 1 . . . . . 229 ARG H . 51105 1 725 . 1 . 1 229 229 ARG C C 13 175.9848 0.3 . 1 . . . . . 229 ARG C . 51105 1 726 . 1 . 1 229 229 ARG CA C 13 55.3834 0.3 . 1 . . . . . 229 ARG CA . 51105 1 727 . 1 . 1 229 229 ARG N N 15 127.089 0.3 . 1 . . . . . 229 ARG N . 51105 1 728 . 1 . 1 231 231 THR H H 1 9.7621 0.020 . 1 . . . . . 231 THR H . 51105 1 729 . 1 . 1 231 231 THR C C 13 172.0658 0.3 . 1 . . . . . 231 THR C . 51105 1 730 . 1 . 1 231 231 THR CA C 13 65.0394 0.3 . 1 . . . . . 231 THR CA . 51105 1 731 . 1 . 1 231 231 THR N N 15 117.483 0.3 . 1 . . . . . 231 THR N . 51105 1 732 . 1 . 1 232 232 ARG H H 1 8.7671 0.020 . 1 . . . . . 232 ARG H . 51105 1 733 . 1 . 1 232 232 ARG C C 13 175.9258 0.3 . 1 . . . . . 232 ARG C . 51105 1 734 . 1 . 1 232 232 ARG CA C 13 57.2354 0.3 . 1 . . . . . 232 ARG CA . 51105 1 735 . 1 . 1 232 232 ARG N N 15 127.651 0.3 . 1 . . . . . 232 ARG N . 51105 1 736 . 1 . 1 233 233 ARG H H 1 8.8911 0.020 . 1 . . . . . 233 ARG H . 51105 1 737 . 1 . 1 233 233 ARG C C 13 174.2408 0.3 . 1 . . . . . 233 ARG C . 51105 1 738 . 1 . 1 233 233 ARG CA C 13 57.1674 0.3 . 1 . . . . . 233 ARG CA . 51105 1 739 . 1 . 1 233 233 ARG N N 15 127.592 0.3 . 1 . . . . . 233 ARG N . 51105 1 740 . 1 . 1 234 234 ARG H H 1 8.7381 0.020 . 1 . . . . . 234 ARG H . 51105 1 741 . 1 . 1 234 234 ARG C C 13 174.7748 0.3 . 1 . . . . . 234 ARG C . 51105 1 742 . 1 . 1 234 234 ARG CA C 13 57.2594 0.3 . 1 . . . . . 234 ARG CA . 51105 1 743 . 1 . 1 234 234 ARG N N 15 121.672 0.3 . 1 . . . . . 234 ARG N . 51105 1 744 . 1 . 1 235 235 MET H H 1 9.1231 0.020 . 1 . . . . . 235 MET H . 51105 1 745 . 1 . 1 235 235 MET C C 13 173.1028 0.3 . 1 . . . . . 235 MET C . 51105 1 746 . 1 . 1 235 235 MET CA C 13 57.6064 0.3 . 1 . . . . . 235 MET CA . 51105 1 747 . 1 . 1 235 235 MET N N 15 125.37 0.3 . 1 . . . . . 235 MET N . 51105 1 748 . 1 . 1 236 236 ILE H H 1 8.4981 0.020 . 1 . . . . . 236 ILE H . 51105 1 749 . 1 . 1 236 236 ILE C C 13 175.9408 0.3 . 1 . . . . . 236 ILE C . 51105 1 750 . 1 . 1 236 236 ILE CA C 13 62.5204 0.3 . 1 . . . . . 236 ILE CA . 51105 1 751 . 1 . 1 236 236 ILE N N 15 127.029 0.3 . 1 . . . . . 236 ILE N . 51105 1 752 . 1 . 1 237 237 VAL H H 1 9.6881 0.020 . 1 . . . . . 237 VAL H . 51105 1 753 . 1 . 1 237 237 VAL C C 13 173.9668 0.3 . 1 . . . . . 237 VAL C . 51105 1 754 . 1 . 1 237 237 VAL CA C 13 61.4934 0.3 . 1 . . . . . 237 VAL CA . 51105 1 755 . 1 . 1 237 237 VAL N N 15 132.051 0.3 . 1 . . . . . 237 VAL N . 51105 1 756 . 1 . 1 239 239 ALA H H 1 9.2411 0.020 . 1 . . . . . 239 ALA H . 51105 1 757 . 1 . 1 239 239 ALA C C 13 180.5508 0.3 . 1 . . . . . 239 ALA C . 51105 1 758 . 1 . 1 239 239 ALA CA C 13 58.9044 0.3 . 1 . . . . . 239 ALA CA . 51105 1 759 . 1 . 1 239 239 ALA N N 15 124.181 0.3 . 1 . . . . . 239 ALA N . 51105 1 760 . 1 . 1 240 240 THR H H 1 8.7291 0.020 . 1 . . . . . 240 THR H . 51105 1 761 . 1 . 1 240 240 THR C C 13 178.0098 0.3 . 1 . . . . . 240 THR C . 51105 1 762 . 1 . 1 240 240 THR CA C 13 68.0914 0.3 . 1 . . . . . 240 THR CA . 51105 1 763 . 1 . 1 240 240 THR N N 15 109.202 0.3 . 1 . . . . . 240 THR N . 51105 1 764 . 1 . 1 241 241 ARG H H 1 7.0921 0.020 . 1 . . . . . 241 ARG H . 51105 1 765 . 1 . 1 241 241 ARG C C 13 177.6978 0.3 . 1 . . . . . 241 ARG C . 51105 1 766 . 1 . 1 241 241 ARG CA C 13 61.8374 0.3 . 1 . . . . . 241 ARG CA . 51105 1 767 . 1 . 1 241 241 ARG N N 15 122.55 0.3 . 1 . . . . . 241 ARG N . 51105 1 768 . 1 . 1 242 242 TRP H H 1 8.9921 0.020 . 1 . . . . . 242 TRP H . 51105 1 769 . 1 . 1 242 242 TRP C C 13 178.9948 0.3 . 1 . . . . . 242 TRP C . 51105 1 770 . 1 . 1 242 242 TRP CA C 13 61.3054 0.3 . 1 . . . . . 242 TRP CA . 51105 1 771 . 1 . 1 242 242 TRP N N 15 120.734 0.3 . 1 . . . . . 242 TRP N . 51105 1 772 . 1 . 1 243 243 HIS H H 1 9.0541 0.020 . 1 . . . . . 243 HIS H . 51105 1 773 . 1 . 1 243 243 HIS C C 13 177.3238 0.3 . 1 . . . . . 243 HIS C . 51105 1 774 . 1 . 1 243 243 HIS CA C 13 61.3744 0.3 . 1 . . . . . 243 HIS CA . 51105 1 775 . 1 . 1 243 243 HIS N N 15 119.028 0.3 . 1 . . . . . 243 HIS N . 51105 1 776 . 1 . 1 244 244 ALA H H 1 7.4031 0.020 . 1 . . . . . 244 ALA H . 51105 1 777 . 1 . 1 244 244 ALA C C 13 180.1098 0.3 . 1 . . . . . 244 ALA C . 51105 1 778 . 1 . 1 244 244 ALA CA C 13 57.8154 0.3 . 1 . . . . . 244 ALA CA . 51105 1 779 . 1 . 1 244 244 ALA N N 15 121.166 0.3 . 1 . . . . . 244 ALA N . 51105 1 780 . 1 . 1 245 245 PHE H H 1 8.3101 0.020 . 1 . . . . . 245 PHE H . 51105 1 781 . 1 . 1 245 245 PHE C C 13 176.8768 0.3 . 1 . . . . . 245 PHE C . 51105 1 782 . 1 . 1 245 245 PHE CA C 13 64.4684 0.3 . 1 . . . . . 245 PHE CA . 51105 1 783 . 1 . 1 245 245 PHE N N 15 119.578 0.3 . 1 . . . . . 245 PHE N . 51105 1 784 . 1 . 1 246 246 SER H H 1 8.6541 0.020 . 1 . . . . . 246 SER H . 51105 1 785 . 1 . 1 246 246 SER C C 13 177.5628 0.3 . 1 . . . . . 246 SER C . 51105 1 786 . 1 . 1 246 246 SER CA C 13 64.2584 0.3 . 1 . . . . . 246 SER CA . 51105 1 787 . 1 . 1 246 246 SER N N 15 112.315 0.3 . 1 . . . . . 246 SER N . 51105 1 788 . 1 . 1 247 247 ASN H H 1 8.5321 0.020 . 1 . . . . . 247 ASN H . 51105 1 789 . 1 . 1 247 247 ASN C C 13 178.0188 0.3 . 1 . . . . . 247 ASN C . 51105 1 790 . 1 . 1 247 247 ASN CA C 13 58.0294 0.3 . 1 . . . . . 247 ASN CA . 51105 1 791 . 1 . 1 247 247 ASN N N 15 122.132 0.3 . 1 . . . . . 247 ASN N . 51105 1 792 . 1 . 1 248 248 ARG H H 1 7.7861 0.020 . 1 . . . . . 248 ARG H . 51105 1 793 . 1 . 1 248 248 ARG C C 13 177.3458 0.3 . 1 . . . . . 248 ARG C . 51105 1 794 . 1 . 1 248 248 ARG CA C 13 61.0754 0.3 . 1 . . . . . 248 ARG CA . 51105 1 795 . 1 . 1 248 248 ARG N N 15 121.531 0.3 . 1 . . . . . 248 ARG N . 51105 1 796 . 1 . 1 249 249 ALA H H 1 7.6401 0.020 . 1 . . . . . 249 ALA H . 51105 1 797 . 1 . 1 249 249 ALA C C 13 180.3718 0.3 . 1 . . . . . 249 ALA C . 51105 1 798 . 1 . 1 249 249 ALA CA C 13 57.8394 0.3 . 1 . . . . . 249 ALA CA . 51105 1 799 . 1 . 1 249 249 ALA N N 15 119.187 0.3 . 1 . . . . . 249 ALA N . 51105 1 800 . 1 . 1 250 250 GLY H H 1 7.8111 0.020 . 1 . . . . . 250 GLY H . 51105 1 801 . 1 . 1 250 250 GLY C C 13 178.1878 0.3 . 1 . . . . . 250 GLY C . 51105 1 802 . 1 . 1 250 250 GLY CA C 13 49.4484 0.3 . 1 . . . . . 250 GLY CA . 51105 1 803 . 1 . 1 250 250 GLY N N 15 103.117 0.3 . 1 . . . . . 250 GLY N . 51105 1 804 . 1 . 1 251 251 GLU H H 1 7.7701 0.020 . 1 . . . . . 251 GLU H . 51105 1 805 . 1 . 1 251 251 GLU C C 13 178.3898 0.3 . 1 . . . . . 251 GLU C . 51105 1 806 . 1 . 1 251 251 GLU CA C 13 61.0924 0.3 . 1 . . . . . 251 GLU CA . 51105 1 807 . 1 . 1 251 251 GLU N N 15 124.487 0.3 . 1 . . . . . 251 GLU N . 51105 1 808 . 1 . 1 252 252 TYR H H 1 7.3421 0.020 . 1 . . . . . 252 TYR H . 51105 1 809 . 1 . 1 252 252 TYR C C 13 175.6038 0.3 . 1 . . . . . 252 TYR C . 51105 1 810 . 1 . 1 252 252 TYR CA C 13 60.8484 0.3 . 1 . . . . . 252 TYR CA . 51105 1 811 . 1 . 1 252 252 TYR N N 15 115.8 0.3 . 1 . . . . . 252 TYR N . 51105 1 812 . 1 . 1 253 253 GLY H H 1 7.9881 0.020 . 1 . . . . . 253 GLY H . 51105 1 813 . 1 . 1 253 253 GLY C C 13 174.7878 0.3 . 1 . . . . . 253 GLY C . 51105 1 814 . 1 . 1 253 253 GLY CA C 13 48.3824 0.3 . 1 . . . . . 253 GLY CA . 51105 1 815 . 1 . 1 253 253 GLY N N 15 107.991 0.3 . 1 . . . . . 253 GLY N . 51105 1 816 . 1 . 1 254 254 VAL H H 1 8.0201 0.020 . 1 . . . . . 254 VAL H . 51105 1 817 . 1 . 1 254 254 VAL C C 13 175.4938 0.3 . 1 . . . . . 254 VAL C . 51105 1 818 . 1 . 1 254 254 VAL CA C 13 62.1024 0.3 . 1 . . . . . 254 VAL CA . 51105 1 819 . 1 . 1 254 254 VAL N N 15 118.664 0.3 . 1 . . . . . 254 VAL N . 51105 1 820 . 1 . 1 255 255 THR H H 1 8.4091 0.020 . 1 . . . . . 255 THR H . 51105 1 821 . 1 . 1 255 255 THR C C 13 175.0188 0.3 . 1 . . . . . 255 THR C . 51105 1 822 . 1 . 1 255 255 THR CA C 13 62.4474 0.3 . 1 . . . . . 255 THR CA . 51105 1 823 . 1 . 1 255 255 THR N N 15 115.487 0.3 . 1 . . . . . 255 THR N . 51105 1 824 . 1 . 1 257 257 THR H H 1 8.1541 0.020 . 1 . . . . . 257 THR H . 51105 1 825 . 1 . 1 257 257 THR C C 13 175.5898 0.3 . 1 . . . . . 257 THR C . 51105 1 826 . 1 . 1 257 257 THR CA C 13 70.9204 0.3 . 1 . . . . . 257 THR CA . 51105 1 827 . 1 . 1 257 257 THR N N 15 111.535 0.3 . 1 . . . . . 257 THR N . 51105 1 828 . 1 . 1 258 258 MET H H 1 7.7001 0.020 . 1 . . . . . 258 MET H . 51105 1 829 . 1 . 1 258 258 MET C C 13 180.7668 0.3 . 1 . . . . . 258 MET C . 51105 1 830 . 1 . 1 258 258 MET CA C 13 57.8384 0.3 . 1 . . . . . 258 MET CA . 51105 1 831 . 1 . 1 258 258 MET N N 15 118.123 0.3 . 1 . . . . . 258 MET N . 51105 1 832 . 1 . 1 259 259 ALA H H 1 8.9061 0.020 . 1 . . . . . 259 ALA H . 51105 1 833 . 1 . 1 259 259 ALA C C 13 179.7438 0.3 . 1 . . . . . 259 ALA C . 51105 1 834 . 1 . 1 259 259 ALA CA C 13 58.7574 0.3 . 1 . . . . . 259 ALA CA . 51105 1 835 . 1 . 1 259 259 ALA N N 15 127.256 0.3 . 1 . . . . . 259 ALA N . 51105 1 836 . 1 . 1 260 260 LEU H H 1 8.8931 0.020 . 1 . . . . . 260 LEU H . 51105 1 837 . 1 . 1 260 260 LEU C C 13 178.9078 0.3 . 1 . . . . . 260 LEU C . 51105 1 838 . 1 . 1 260 260 LEU CA C 13 61.0864 0.3 . 1 . . . . . 260 LEU CA . 51105 1 839 . 1 . 1 260 260 LEU N N 15 118.93 0.3 . 1 . . . . . 260 LEU N . 51105 1 840 . 1 . 1 269 269 ALA H H 1 8.2131 0.020 . 1 . . . . . 269 ALA H . 51105 1 841 . 1 . 1 269 269 ALA C C 13 178.8098 0.3 . 1 . . . . . 269 ALA C . 51105 1 842 . 1 . 1 269 269 ALA CA C 13 56.5184 0.3 . 1 . . . . . 269 ALA CA . 51105 1 843 . 1 . 1 269 269 ALA N N 15 119.895 0.3 . 1 . . . . . 269 ALA N . 51105 1 844 . 1 . 1 270 270 ARG H H 1 7.1941 0.020 . 1 . . . . . 270 ARG H . 51105 1 845 . 1 . 1 270 270 ARG C C 13 179.4298 0.3 . 1 . . . . . 270 ARG C . 51105 1 846 . 1 . 1 270 270 ARG CA C 13 60.3204 0.3 . 1 . . . . . 270 ARG CA . 51105 1 847 . 1 . 1 270 270 ARG N N 15 113.703 0.3 . 1 . . . . . 270 ARG N . 51105 1 848 . 1 . 1 271 271 TRP H H 1 8.5071 0.020 . 1 . . . . . 271 TRP H . 51105 1 849 . 1 . 1 271 271 TRP C C 13 177.9288 0.3 . 1 . . . . . 271 TRP C . 51105 1 850 . 1 . 1 271 271 TRP CA C 13 64.1084 0.3 . 1 . . . . . 271 TRP CA . 51105 1 851 . 1 . 1 271 271 TRP N N 15 119.958 0.3 . 1 . . . . . 271 TRP N . 51105 1 852 . 1 . 1 272 272 GLY H H 1 8.7061 0.020 . 1 . . . . . 272 GLY H . 51105 1 853 . 1 . 1 272 272 GLY C C 13 174.5728 0.3 . 1 . . . . . 272 GLY C . 51105 1 854 . 1 . 1 272 272 GLY CA C 13 46.9714 0.3 . 1 . . . . . 272 GLY CA . 51105 1 855 . 1 . 1 272 272 GLY N N 15 104.509 0.3 . 1 . . . . . 272 GLY N . 51105 1 856 . 1 . 1 273 273 GLY H H 1 7.9981 0.020 . 1 . . . . . 273 GLY H . 51105 1 857 . 1 . 1 273 273 GLY C C 13 175.4368 0.3 . 1 . . . . . 273 GLY C . 51105 1 858 . 1 . 1 273 273 GLY CA C 13 49.0604 0.3 . 1 . . . . . 273 GLY CA . 51105 1 859 . 1 . 1 273 273 GLY N N 15 110.743 0.3 . 1 . . . . . 273 GLY N . 51105 1 860 . 1 . 1 274 274 LEU H H 1 7.7921 0.020 . 1 . . . . . 274 LEU H . 51105 1 861 . 1 . 1 274 274 LEU C C 13 177.5818 0.3 . 1 . . . . . 274 LEU C . 51105 1 862 . 1 . 1 274 274 LEU CA C 13 57.1524 0.3 . 1 . . . . . 274 LEU CA . 51105 1 863 . 1 . 1 274 274 LEU N N 15 117.508 0.3 . 1 . . . . . 274 LEU N . 51105 1 864 . 1 . 1 275 275 THR H H 1 8.7751 0.020 . 1 . . . . . 275 THR H . 51105 1 865 . 1 . 1 275 275 THR C C 13 176.0558 0.3 . 1 . . . . . 275 THR C . 51105 1 866 . 1 . 1 275 275 THR CA C 13 64.9214 0.3 . 1 . . . . . 275 THR CA . 51105 1 867 . 1 . 1 275 275 THR N N 15 109.406 0.3 . 1 . . . . . 275 THR N . 51105 1 868 . 1 . 1 276 276 ARG H H 1 7.4841 0.020 . 1 . . . . . 276 ARG H . 51105 1 869 . 1 . 1 276 276 ARG C C 13 175.0198 0.3 . 1 . . . . . 276 ARG C . 51105 1 870 . 1 . 1 276 276 ARG CA C 13 57.6074 0.3 . 1 . . . . . 276 ARG CA . 51105 1 871 . 1 . 1 276 276 ARG N N 15 122.119 0.3 . 1 . . . . . 276 ARG N . 51105 1 872 . 1 . 1 277 277 LEU H H 1 9.1891 0.020 . 1 . . . . . 277 LEU H . 51105 1 873 . 1 . 1 277 277 LEU C C 13 174.1978 0.3 . 1 . . . . . 277 LEU C . 51105 1 874 . 1 . 1 277 277 LEU CA C 13 56.2414 0.3 . 1 . . . . . 277 LEU CA . 51105 1 875 . 1 . 1 277 277 LEU N N 15 117.485 0.3 . 1 . . . . . 277 LEU N . 51105 1 876 . 1 . 1 278 278 LEU H H 1 8.6431 0.020 . 1 . . . . . 278 LEU H . 51105 1 877 . 1 . 1 278 278 LEU C C 13 174.3488 0.3 . 1 . . . . . 278 LEU C . 51105 1 878 . 1 . 1 278 278 LEU CA C 13 56.0024 0.3 . 1 . . . . . 278 LEU CA . 51105 1 879 . 1 . 1 278 278 LEU N N 15 124.309 0.3 . 1 . . . . . 278 LEU N . 51105 1 880 . 1 . 1 279 279 LEU H H 1 8.5931 0.020 . 1 . . . . . 279 LEU H . 51105 1 881 . 1 . 1 279 279 LEU C C 13 175.3068 0.3 . 1 . . . . . 279 LEU C . 51105 1 882 . 1 . 1 279 279 LEU CA C 13 55.3954 0.3 . 1 . . . . . 279 LEU CA . 51105 1 883 . 1 . 1 279 279 LEU N N 15 129.064 0.3 . 1 . . . . . 279 LEU N . 51105 1 884 . 1 . 1 280 280 ASN H H 1 6.9021 0.020 . 1 . . . . . 280 ASN H . 51105 1 885 . 1 . 1 280 280 ASN C C 13 174.0248 0.3 . 1 . . . . . 280 ASN C . 51105 1 886 . 1 . 1 280 280 ASN CA C 13 55.0774 0.3 . 1 . . . . . 280 ASN CA . 51105 1 887 . 1 . 1 280 280 ASN N N 15 122.304 0.3 . 1 . . . . . 280 ASN N . 51105 1 888 . 1 . 1 281 281 ILE H H 1 9.3571 0.020 . 1 . . . . . 281 ILE H . 51105 1 889 . 1 . 1 281 281 ILE C C 13 174.5488 0.3 . 1 . . . . . 281 ILE C . 51105 1 890 . 1 . 1 281 281 ILE CA C 13 61.0894 0.3 . 1 . . . . . 281 ILE CA . 51105 1 891 . 1 . 1 281 281 ILE N N 15 126.662 0.3 . 1 . . . . . 281 ILE N . 51105 1 892 . 1 . 1 284 284 PHE H H 1 8.3601 0.020 . 1 . . . . . 284 PHE H . 51105 1 893 . 1 . 1 284 284 PHE C C 13 175.4448 0.3 . 1 . . . . . 284 PHE C . 51105 1 894 . 1 . 1 284 284 PHE CA C 13 59.5164 0.3 . 1 . . . . . 284 PHE CA . 51105 1 895 . 1 . 1 284 284 PHE N N 15 117.645 0.3 . 1 . . . . . 284 PHE N . 51105 1 896 . 1 . 1 285 285 ASP H H 1 9.0531 0.020 . 1 . . . . . 285 ASP H . 51105 1 897 . 1 . 1 285 285 ASP C C 13 173.9678 0.3 . 1 . . . . . 285 ASP C . 51105 1 898 . 1 . 1 285 285 ASP CA C 13 55.9914 0.3 . 1 . . . . . 285 ASP CA . 51105 1 899 . 1 . 1 285 285 ASP N N 15 123.68 0.3 . 1 . . . . . 285 ASP N . 51105 1 900 . 1 . 1 286 286 ARG H H 1 8.5301 0.020 . 1 . . . . . 286 ARG H . 51105 1 901 . 1 . 1 286 286 ARG C C 13 175.4938 0.3 . 1 . . . . . 286 ARG C . 51105 1 902 . 1 . 1 286 286 ARG CA C 13 56.4804 0.3 . 1 . . . . . 286 ARG CA . 51105 1 903 . 1 . 1 286 286 ARG N N 15 126.411 0.3 . 1 . . . . . 286 ARG N . 51105 1 904 . 1 . 1 287 287 GLN H H 1 8.3431 0.020 . 1 . . . . . 287 GLN H . 51105 1 905 . 1 . 1 287 287 GLN C C 13 177.1938 0.3 . 1 . . . . . 287 GLN C . 51105 1 906 . 1 . 1 287 287 GLN CA C 13 57.6324 0.3 . 1 . . . . . 287 GLN CA . 51105 1 907 . 1 . 1 287 287 GLN N N 15 128.842 0.3 . 1 . . . . . 287 GLN N . 51105 1 908 . 1 . 1 289 289 LEU H H 1 9.4701 0.020 . 1 . . . . . 289 LEU H . 51105 1 909 . 1 . 1 289 289 LEU C C 13 176.4878 0.3 . 1 . . . . . 289 LEU C . 51105 1 910 . 1 . 1 289 289 LEU CA C 13 58.4564 0.3 . 1 . . . . . 289 LEU CA . 51105 1 911 . 1 . 1 289 289 LEU N N 15 124.662 0.3 . 1 . . . . . 289 LEU N . 51105 1 912 . 1 . 1 290 290 HIS H H 1 7.3881 0.020 . 1 . . . . . 290 HIS H . 51105 1 913 . 1 . 1 290 290 HIS C C 13 174.9888 0.3 . 1 . . . . . 290 HIS C . 51105 1 914 . 1 . 1 290 290 HIS CA C 13 57.6764 0.3 . 1 . . . . . 290 HIS CA . 51105 1 915 . 1 . 1 290 290 HIS N N 15 116.455 0.3 . 1 . . . . . 290 HIS N . 51105 1 916 . 1 . 1 292 292 ALA H H 1 12.2791 0.020 . 1 . . . . . 292 ALA H . 51105 1 917 . 1 . 1 292 292 ALA C C 13 180.9238 0.3 . 1 . . . . . 292 ALA C . 51105 1 918 . 1 . 1 292 292 ALA CA C 13 56.8234 0.3 . 1 . . . . . 292 ALA CA . 51105 1 919 . 1 . 1 292 292 ALA N N 15 125.275 0.3 . 1 . . . . . 292 ALA N . 51105 1 920 . 1 . 1 293 293 VAL H H 1 8.1011 0.020 . 1 . . . . . 293 VAL H . 51105 1 921 . 1 . 1 293 293 VAL C C 13 177.5798 0.3 . 1 . . . . . 293 VAL C . 51105 1 922 . 1 . 1 293 293 VAL CA C 13 68.5674 0.3 . 1 . . . . . 293 VAL CA . 51105 1 923 . 1 . 1 293 293 VAL N N 15 116.622 0.3 . 1 . . . . . 293 VAL N . 51105 1 924 . 1 . 1 294 294 GLY H H 1 7.7541 0.020 . 1 . . . . . 294 GLY H . 51105 1 925 . 1 . 1 294 294 GLY C C 13 173.8228 0.3 . 1 . . . . . 294 GLY C . 51105 1 926 . 1 . 1 294 294 GLY CA C 13 49.4824 0.3 . 1 . . . . . 294 GLY CA . 51105 1 927 . 1 . 1 294 294 GLY N N 15 104.524 0.3 . 1 . . . . . 294 GLY N . 51105 1 928 . 1 . 1 295 295 ALA H H 1 7.3041 0.020 . 1 . . . . . 295 ALA H . 51105 1 929 . 1 . 1 295 295 ALA C C 13 176.1918 0.3 . 1 . . . . . 295 ALA C . 51105 1 930 . 1 . 1 295 295 ALA CA C 13 53.3144 0.3 . 1 . . . . . 295 ALA CA . 51105 1 931 . 1 . 1 295 295 ALA N N 15 120.423 0.3 . 1 . . . . . 295 ALA N . 51105 1 932 . 1 . 1 296 296 MET H H 1 6.9041 0.020 . 1 . . . . . 296 MET H . 51105 1 933 . 1 . 1 296 296 MET C C 13 176.1058 0.3 . 1 . . . . . 296 MET C . 51105 1 934 . 1 . 1 296 296 MET CA C 13 59.1364 0.3 . 1 . . . . . 296 MET CA . 51105 1 935 . 1 . 1 296 296 MET N N 15 116.668 0.3 . 1 . . . . . 296 MET N . 51105 1 936 . 1 . 1 297 297 LEU H H 1 8.4671 0.020 . 1 . . . . . 297 LEU H . 51105 1 937 . 1 . 1 297 297 LEU C C 13 174.4648 0.3 . 1 . . . . . 297 LEU C . 51105 1 938 . 1 . 1 297 297 LEU CA C 13 55.6264 0.3 . 1 . . . . . 297 LEU CA . 51105 1 939 . 1 . 1 297 297 LEU N N 15 124.128 0.3 . 1 . . . . . 297 LEU N . 51105 1 940 . 1 . 1 302 302 ASN H H 1 9.6811 0.020 . 1 . . . . . 302 ASN H . 51105 1 941 . 1 . 1 302 302 ASN C C 13 172.5268 0.3 . 1 . . . . . 302 ASN C . 51105 1 942 . 1 . 1 302 302 ASN CA C 13 55.5174 0.3 . 1 . . . . . 302 ASN CA . 51105 1 943 . 1 . 1 302 302 ASN N N 15 127.63 0.3 . 1 . . . . . 302 ASN N . 51105 1 944 . 1 . 1 303 303 ILE H H 1 8.1321 0.020 . 1 . . . . . 303 ILE H . 51105 1 945 . 1 . 1 303 303 ILE C C 13 175.4448 0.3 . 1 . . . . . 303 ILE C . 51105 1 946 . 1 . 1 303 303 ILE CA C 13 62.9554 0.3 . 1 . . . . . 303 ILE CA . 51105 1 947 . 1 . 1 303 303 ILE N N 15 123.701 0.3 . 1 . . . . . 303 ILE N . 51105 1 948 . 1 . 1 304 304 LEU H H 1 9.3201 0.020 . 1 . . . . . 304 LEU H . 51105 1 949 . 1 . 1 304 304 LEU C C 13 174.1978 0.3 . 1 . . . . . 304 LEU C . 51105 1 950 . 1 . 1 304 304 LEU CA C 13 56.0064 0.3 . 1 . . . . . 304 LEU CA . 51105 1 951 . 1 . 1 304 304 LEU CG C 13 30.1348 0.3 . 1 . . . . . 304 LEU CG . 51105 1 952 . 1 . 1 304 304 LEU N N 15 130.152 0.3 . 1 . . . . . 304 LEU N . 51105 1 953 . 1 . 1 305 305 LEU H H 1 8.1501 0.020 . 1 . . . . . 305 LEU H . 51105 1 954 . 1 . 1 305 305 LEU C C 13 174.1388 0.3 . 1 . . . . . 305 LEU C . 51105 1 955 . 1 . 1 305 305 LEU CA C 13 54.8704 0.3 . 1 . . . . . 305 LEU CA . 51105 1 956 . 1 . 1 305 305 LEU N N 15 121.371 0.3 . 1 . . . . . 305 LEU N . 51105 1 957 . 1 . 1 306 306 LEU H H 1 8.9991 0.020 . 1 . . . . . 306 LEU H . 51105 1 958 . 1 . 1 306 306 LEU C C 13 177.2738 0.3 . 1 . . . . . 306 LEU C . 51105 1 959 . 1 . 1 306 306 LEU CA C 13 56.4814 0.3 . 1 . . . . . 306 LEU CA . 51105 1 960 . 1 . 1 306 306 LEU N N 15 125.999 0.3 . 1 . . . . . 306 LEU N . 51105 1 961 . 1 . 1 307 307 ASP H H 1 9.2621 0.020 . 1 . . . . . 307 ASP H . 51105 1 962 . 1 . 1 307 307 ASP C C 13 173.8808 0.3 . 1 . . . . . 307 ASP C . 51105 1 963 . 1 . 1 307 307 ASP CA C 13 56.3714 0.3 . 1 . . . . . 307 ASP CA . 51105 1 964 . 1 . 1 307 307 ASP N N 15 131.257 0.3 . 1 . . . . . 307 ASP N . 51105 1 965 . 1 . 1 308 308 THR H H 1 9.1791 0.020 . 1 . . . . . 308 THR H . 51105 1 966 . 1 . 1 308 308 THR C C 13 174.2658 0.3 . 1 . . . . . 308 THR C . 51105 1 967 . 1 . 1 308 308 THR CA C 13 66.1294 0.3 . 1 . . . . . 308 THR CA . 51105 1 968 . 1 . 1 308 308 THR N N 15 125.107 0.3 . 1 . . . . . 308 THR N . 51105 1 969 . 1 . 1 309 309 ALA H H 1 10.2901 0.020 . 1 . . . . . 309 ALA H . 51105 1 970 . 1 . 1 309 309 ALA C C 13 178.6778 0.3 . 1 . . . . . 309 ALA C . 51105 1 971 . 1 . 1 309 309 ALA CA C 13 55.1644 0.3 . 1 . . . . . 309 ALA CA . 51105 1 972 . 1 . 1 309 309 ALA N N 15 132.416 0.3 . 1 . . . . . 309 ALA N . 51105 1 973 . 1 . 1 310 310 CYS H H 1 8.6411 0.020 . 1 . . . . . 310 CYS H . 51105 1 974 . 1 . 1 310 310 CYS C C 13 171.6618 0.3 . 1 . . . . . 310 CYS C . 51105 1 975 . 1 . 1 310 310 CYS CA C 13 59.4054 0.3 . 1 . . . . . 310 CYS CA . 51105 1 976 . 1 . 1 310 310 CYS N N 15 116.975 0.3 . 1 . . . . . 310 CYS N . 51105 1 977 . 1 . 1 311 311 ASP H H 1 7.8591 0.020 . 1 . . . . . 311 ASP H . 51105 1 978 . 1 . 1 311 311 ASP C C 13 175.9408 0.3 . 1 . . . . . 311 ASP C . 51105 1 979 . 1 . 1 311 311 ASP CA C 13 55.9454 0.3 . 1 . . . . . 311 ASP CA . 51105 1 980 . 1 . 1 311 311 ASP N N 15 116.747 0.3 . 1 . . . . . 311 ASP N . 51105 1 981 . 1 . 1 312 312 GLY H H 1 9.0691 0.020 . 1 . . . . . 312 GLY H . 51105 1 982 . 1 . 1 312 312 GLY C C 13 173.5058 0.3 . 1 . . . . . 312 GLY C . 51105 1 983 . 1 . 1 312 312 GLY CA C 13 48.1694 0.3 . 1 . . . . . 312 GLY CA . 51105 1 984 . 1 . 1 312 312 GLY N N 15 107.103 0.3 . 1 . . . . . 312 GLY N . 51105 1 985 . 1 . 1 313 313 ASP H H 1 7.5921 0.020 . 1 . . . . . 313 ASP H . 51105 1 986 . 1 . 1 313 313 ASP C C 13 174.7138 0.3 . 1 . . . . . 313 ASP C . 51105 1 987 . 1 . 1 313 313 ASP CA C 13 53.6464 0.3 . 1 . . . . . 313 ASP CA . 51105 1 988 . 1 . 1 313 313 ASP N N 15 117.008 0.3 . 1 . . . . . 313 ASP N . 51105 1 989 . 1 . 1 314 314 THR H H 1 10.1101 0.020 . 1 . . . . . 314 THR H . 51105 1 990 . 1 . 1 314 314 THR C C 13 174.3418 0.3 . 1 . . . . . 314 THR C . 51105 1 991 . 1 . 1 314 314 THR CA C 13 63.3854 0.3 . 1 . . . . . 314 THR CA . 51105 1 992 . 1 . 1 314 314 THR N N 15 110.856 0.3 . 1 . . . . . 314 THR N . 51105 1 993 . 1 . 1 315 315 VAL H H 1 7.9201 0.020 . 1 . . . . . 315 VAL H . 51105 1 994 . 1 . 1 315 315 VAL C C 13 178.2068 0.3 . 1 . . . . . 315 VAL C . 51105 1 995 . 1 . 1 315 315 VAL CA C 13 68.9614 0.3 . 1 . . . . . 315 VAL CA . 51105 1 996 . 1 . 1 315 315 VAL N N 15 119.207 0.3 . 1 . . . . . 315 VAL N . 51105 1 997 . 1 . 1 316 316 SER H H 1 8.1471 0.020 . 1 . . . . . 316 SER H . 51105 1 998 . 1 . 1 316 316 SER C C 13 176.3868 0.3 . 1 . . . . . 316 SER C . 51105 1 999 . 1 . 1 316 316 SER CA C 13 64.3154 0.3 . 1 . . . . . 316 SER CA . 51105 1 1000 . 1 . 1 316 316 SER N N 15 109.224 0.3 . 1 . . . . . 316 SER N . 51105 1 1001 . 1 . 1 317 317 ASN H H 1 7.5011 0.020 . 1 . . . . . 317 ASN H . 51105 1 1002 . 1 . 1 317 317 ASN C C 13 180.0468 0.3 . 1 . . . . . 317 ASN C . 51105 1 1003 . 1 . 1 317 317 ASN CA C 13 57.7784 0.3 . 1 . . . . . 317 ASN CA . 51105 1 1004 . 1 . 1 317 317 ASN N N 15 122.376 0.3 . 1 . . . . . 317 ASN N . 51105 1 1005 . 1 . 1 318 318 LEU H H 1 8.9061 0.020 . 1 . . . . . 318 LEU H . 51105 1 1006 . 1 . 1 318 318 LEU C C 13 178.1678 0.3 . 1 . . . . . 318 LEU C . 51105 1 1007 . 1 . 1 318 318 LEU CA C 13 60.2014 0.3 . 1 . . . . . 318 LEU CA . 51105 1 1008 . 1 . 1 318 318 LEU N N 15 122.543 0.3 . 1 . . . . . 318 LEU N . 51105 1 1009 . 1 . 1 319 319 ALA H H 1 8.8131 0.020 . 1 . . . . . 319 ALA H . 51105 1 1010 . 1 . 1 319 319 ALA C C 13 179.6578 0.3 . 1 . . . . . 319 ALA C . 51105 1 1011 . 1 . 1 319 319 ALA CA C 13 57.3704 0.3 . 1 . . . . . 319 ALA CA . 51105 1 1012 . 1 . 1 319 319 ALA N N 15 120.16 0.3 . 1 . . . . . 319 ALA N . 51105 1 1013 . 1 . 1 320 320 ARG H H 1 8.4601 0.020 . 1 . . . . . 320 ARG H . 51105 1 1014 . 1 . 1 320 320 ARG C C 13 178.9518 0.3 . 1 . . . . . 320 ARG C . 51105 1 1015 . 1 . 1 320 320 ARG CA C 13 62.0644 0.3 . 1 . . . . . 320 ARG CA . 51105 1 1016 . 1 . 1 320 320 ARG N N 15 118.188 0.3 . 1 . . . . . 320 ARG N . 51105 1 1017 . 1 . 1 321 321 LYS H H 1 8.0141 0.020 . 1 . . . . . 321 LYS H . 51105 1 1018 . 1 . 1 321 321 LYS C C 13 179.2128 0.3 . 1 . . . . . 321 LYS C . 51105 1 1019 . 1 . 1 321 321 LYS CA C 13 61.9544 0.3 . 1 . . . . . 321 LYS CA . 51105 1 1020 . 1 . 1 321 321 LYS N N 15 121.22 0.3 . 1 . . . . . 321 LYS N . 51105 1 1021 . 1 . 1 322 322 ASN H H 1 8.5381 0.020 . 1 . . . . . 322 ASN H . 51105 1 1022 . 1 . 1 322 322 ASN C C 13 176.8338 0.3 . 1 . . . . . 322 ASN C . 51105 1 1023 . 1 . 1 322 322 ASN CA C 13 58.2524 0.3 . 1 . . . . . 322 ASN CA . 51105 1 1024 . 1 . 1 322 322 ASN N N 15 117.448 0.3 . 1 . . . . . 322 ASN N . 51105 1 1025 . 1 . 1 323 323 GLN H H 1 8.9511 0.020 . 1 . . . . . 323 GLN H . 51105 1 1026 . 1 . 1 323 323 GLN C C 13 178.3898 0.3 . 1 . . . . . 323 GLN C . 51105 1 1027 . 1 . 1 323 323 GLN CA C 13 61.4274 0.3 . 1 . . . . . 323 GLN CA . 51105 1 1028 . 1 . 1 323 323 GLN N N 15 121.345 0.3 . 1 . . . . . 323 GLN N . 51105 1 1029 . 1 . 1 324 324 LEU H H 1 8.3441 0.020 . 1 . . . . . 324 LEU H . 51105 1 1030 . 1 . 1 324 324 LEU C C 13 180.6988 0.3 . 1 . . . . . 324 LEU C . 51105 1 1031 . 1 . 1 324 324 LEU CA C 13 61.0814 0.3 . 1 . . . . . 324 LEU CA . 51105 1 1032 . 1 . 1 324 324 LEU N N 15 121.959 0.3 . 1 . . . . . 324 LEU N . 51105 1 1033 . 1 . 1 325 325 THR H H 1 8.6901 0.020 . 1 . . . . . 325 THR H . 51105 1 1034 . 1 . 1 325 325 THR C C 13 175.8688 0.3 . 1 . . . . . 325 THR C . 51105 1 1035 . 1 . 1 325 325 THR CA C 13 68.3134 0.3 . 1 . . . . . 325 THR CA . 51105 1 1036 . 1 . 1 325 325 THR N N 15 119.521 0.3 . 1 . . . . . 325 THR N . 51105 1 1037 . 1 . 1 326 326 PHE H H 1 9.2351 0.020 . 1 . . . . . 326 PHE H . 51105 1 1038 . 1 . 1 326 326 PHE C C 13 176.6898 0.3 . 1 . . . . . 326 PHE C . 51105 1 1039 . 1 . 1 326 326 PHE CA C 13 64.4774 0.3 . 1 . . . . . 326 PHE CA . 51105 1 1040 . 1 . 1 326 326 PHE N N 15 120.399 0.3 . 1 . . . . . 326 PHE N . 51105 1 1041 . 1 . 1 327 327 THR H H 1 8.8981 0.020 . 1 . . . . . 327 THR H . 51105 1 1042 . 1 . 1 327 327 THR C C 13 176.7658 0.3 . 1 . . . . . 327 THR C . 51105 1 1043 . 1 . 1 327 327 THR CA C 13 69.8924 0.3 . 1 . . . . . 327 THR CA . 51105 1 1044 . 1 . 1 327 327 THR N N 15 115.52 0.3 . 1 . . . . . 327 THR N . 51105 1 1045 . 1 . 1 328 328 GLU H H 1 7.4121 0.020 . 1 . . . . . 328 GLU H . 51105 1 1046 . 1 . 1 328 328 GLU C C 13 179.5018 0.3 . 1 . . . . . 328 GLU C . 51105 1 1047 . 1 . 1 328 328 GLU CA C 13 61.3844 0.3 . 1 . . . . . 328 GLU CA . 51105 1 1048 . 1 . 1 328 328 GLU N N 15 121.186 0.3 . 1 . . . . . 328 GLU N . 51105 1 1049 . 1 . 1 329 329 ASP H H 1 8.8991 0.020 . 1 . . . . . 329 ASP H . 51105 1 1050 . 1 . 1 329 329 ASP C C 13 179.4978 0.3 . 1 . . . . . 329 ASP C . 51105 1 1051 . 1 . 1 329 329 ASP CA C 13 60.3734 0.3 . 1 . . . . . 329 ASP CA . 51105 1 1052 . 1 . 1 329 329 ASP N N 15 124.062 0.3 . 1 . . . . . 329 ASP N . 51105 1 1053 . 1 . 1 330 330 TRP H H 1 9.5801 0.020 . 1 . . . . . 330 TRP H . 51105 1 1054 . 1 . 1 330 330 TRP C C 13 180.0318 0.3 . 1 . . . . . 330 TRP C . 51105 1 1055 . 1 . 1 330 330 TRP CA C 13 61.9194 0.3 . 1 . . . . . 330 TRP CA . 51105 1 1056 . 1 . 1 330 330 TRP N N 15 121.175 0.3 . 1 . . . . . 330 TRP N . 51105 1 1057 . 1 . 1 331 331 GLU H H 1 7.3541 0.020 . 1 . . . . . 331 GLU H . 51105 1 1058 . 1 . 1 331 331 GLU C C 13 176.0208 0.3 . 1 . . . . . 331 GLU C . 51105 1 1059 . 1 . 1 331 331 GLU CA C 13 59.9944 0.3 . 1 . . . . . 331 GLU CA . 51105 1 1060 . 1 . 1 331 331 GLU N N 15 118.157 0.3 . 1 . . . . . 331 GLU N . 51105 1 1061 . 1 . 1 332 332 HIS H H 1 7.6401 0.020 . 1 . . . . . 332 HIS H . 51105 1 1062 . 1 . 1 332 332 HIS C C 13 176.5848 0.3 . 1 . . . . . 332 HIS C . 51105 1 1063 . 1 . 1 332 332 HIS CA C 13 57.2574 0.3 . 1 . . . . . 332 HIS CA . 51105 1 1064 . 1 . 1 332 332 HIS N N 15 113.436 0.3 . 1 . . . . . 332 HIS N . 51105 1 1065 . 1 . 1 333 333 ARG H H 1 7.0211 0.020 . 1 . . . . . 333 ARG H . 51105 1 1066 . 1 . 1 333 333 ARG C C 13 176.2288 0.3 . 1 . . . . . 333 ARG C . 51105 1 1067 . 1 . 1 333 333 ARG CA C 13 58.9344 0.3 . 1 . . . . . 333 ARG CA . 51105 1 1068 . 1 . 1 333 333 ARG N N 15 117.213 0.3 . 1 . . . . . 333 ARG N . 51105 1 1069 . 1 . 1 334 334 HIS H H 1 7.3821 0.020 . 1 . . . . . 334 HIS H . 51105 1 1070 . 1 . 1 334 334 HIS C C 13 174.8748 0.3 . 1 . . . . . 334 HIS C . 51105 1 1071 . 1 . 1 334 334 HIS CA C 13 60.4134 0.3 . 1 . . . . . 334 HIS CA . 51105 1 1072 . 1 . 1 334 334 HIS N N 15 115.992 0.3 . 1 . . . . . 334 HIS N . 51105 1 1073 . 1 . 1 335 335 TRP H H 1 7.0241 0.020 . 1 . . . . . 335 TRP H . 51105 1 1074 . 1 . 1 335 335 TRP C C 13 174.7278 0.3 . 1 . . . . . 335 TRP C . 51105 1 1075 . 1 . 1 335 335 TRP CA C 13 60.7794 0.3 . 1 . . . . . 335 TRP CA . 51105 1 1076 . 1 . 1 335 335 TRP N N 15 121.003 0.3 . 1 . . . . . 335 TRP N . 51105 1 1077 . 1 . 1 336 336 SER H H 1 8.6431 0.020 . 1 . . . . . 336 SER H . 51105 1 1078 . 1 . 1 336 336 SER C C 13 176.8338 0.3 . 1 . . . . . 336 SER C . 51105 1 1079 . 1 . 1 336 336 SER CA C 13 61.5274 0.3 . 1 . . . . . 336 SER CA . 51105 1 1080 . 1 . 1 336 336 SER N N 15 118.619 0.3 . 1 . . . . . 336 SER N . 51105 1 1081 . 1 . 1 337 337 GLY H H 1 8.4091 0.020 . 1 . . . . . 337 GLY H . 51105 1 1082 . 1 . 1 337 337 GLY C C 13 175.2058 0.3 . 1 . . . . . 337 GLY C . 51105 1 1083 . 1 . 1 337 337 GLY CA C 13 49.5584 0.3 . 1 . . . . . 337 GLY CA . 51105 1 1084 . 1 . 1 337 337 GLY N N 15 116.278 0.3 . 1 . . . . . 337 GLY N . 51105 1 1085 . 1 . 1 338 338 VAL H H 1 7.7101 0.020 . 1 . . . . . 338 VAL H . 51105 1 1086 . 1 . 1 338 338 VAL C C 13 178.7928 0.3 . 1 . . . . . 338 VAL C . 51105 1 1087 . 1 . 1 338 338 VAL CA C 13 67.2164 0.3 . 1 . . . . . 338 VAL CA . 51105 1 1088 . 1 . 1 338 338 VAL N N 15 113.528 0.3 . 1 . . . . . 338 VAL N . 51105 1 1089 . 1 . 1 339 339 GLU H H 1 6.8941 0.020 . 1 . . . . . 339 GLU H . 51105 1 1090 . 1 . 1 339 339 GLU C C 13 179.1558 0.3 . 1 . . . . . 339 GLU C . 51105 1 1091 . 1 . 1 339 339 GLU CA C 13 60.9694 0.3 . 1 . . . . . 339 GLU CA . 51105 1 1092 . 1 . 1 339 339 GLU N N 15 120.853 0.3 . 1 . . . . . 339 GLU N . 51105 1 1093 . 1 . 1 340 340 LEU H H 1 6.7061 0.020 . 1 . . . . . 340 LEU H . 51105 1 1094 . 1 . 1 340 340 LEU C C 13 178.7908 0.3 . 1 . . . . . 340 LEU C . 51105 1 1095 . 1 . 1 340 340 LEU CA C 13 59.7724 0.3 . 1 . . . . . 340 LEU CA . 51105 1 1096 . 1 . 1 340 340 LEU N N 15 121.031 0.3 . 1 . . . . . 340 LEU N . 51105 1 1097 . 1 . 1 341 341 LEU H H 1 8.2821 0.020 . 1 . . . . . 341 LEU H . 51105 1 1098 . 1 . 1 341 341 LEU C C 13 178.2078 0.3 . 1 . . . . . 341 LEU C . 51105 1 1099 . 1 . 1 341 341 LEU CA C 13 60.2214 0.3 . 1 . . . . . 341 LEU CA . 51105 1 1100 . 1 . 1 341 341 LEU N N 15 118.949 0.3 . 1 . . . . . 341 LEU N . 51105 1 1101 . 1 . 1 342 342 ARG H H 1 7.0071 0.020 . 1 . . . . . 342 ARG H . 51105 1 1102 . 1 . 1 342 342 ARG C C 13 179.3608 0.3 . 1 . . . . . 342 ARG C . 51105 1 1103 . 1 . 1 342 342 ARG CA C 13 62.0164 0.3 . 1 . . . . . 342 ARG CA . 51105 1 1104 . 1 . 1 342 342 ARG N N 15 116.424 0.3 . 1 . . . . . 342 ARG N . 51105 1 1105 . 1 . 1 343 343 GLU H H 1 7.4201 0.020 . 1 . . . . . 343 GLU H . 51105 1 1106 . 1 . 1 343 343 GLU C C 13 179.7288 0.3 . 1 . . . . . 343 GLU C . 51105 1 1107 . 1 . 1 343 343 GLU CA C 13 60.5354 0.3 . 1 . . . . . 343 GLU CA . 51105 1 1108 . 1 . 1 343 343 GLU N N 15 118.49 0.3 . 1 . . . . . 343 GLU N . 51105 1 1109 . 1 . 1 344 344 LEU H H 1 8.6491 0.020 . 1 . . . . . 344 LEU H . 51105 1 1110 . 1 . 1 344 344 LEU C C 13 179.9748 0.3 . 1 . . . . . 344 LEU C . 51105 1 1111 . 1 . 1 344 344 LEU CA C 13 60.0924 0.3 . 1 . . . . . 344 LEU CA . 51105 1 1112 . 1 . 1 344 344 LEU N N 15 120.069 0.3 . 1 . . . . . 344 LEU N . 51105 1 1113 . 1 . 1 345 345 LYS H H 1 8.2691 0.020 . 1 . . . . . 345 LYS H . 51105 1 1114 . 1 . 1 345 345 LYS C C 13 180.0128 0.3 . 1 . . . . . 345 LYS C . 51105 1 1115 . 1 . 1 345 345 LYS CA C 13 61.1514 0.3 . 1 . . . . . 345 LYS CA . 51105 1 1116 . 1 . 1 345 345 LYS N N 15 117.249 0.3 . 1 . . . . . 345 LYS N . 51105 1 1117 . 1 . 1 346 346 ARG H H 1 7.6961 0.020 . 1 . . . . . 346 ARG H . 51105 1 1118 . 1 . 1 346 346 ARG C C 13 177.9428 0.3 . 1 . . . . . 346 ARG C . 51105 1 1119 . 1 . 1 346 346 ARG CA C 13 60.7684 0.3 . 1 . . . . . 346 ARG CA . 51105 1 1120 . 1 . 1 346 346 ARG N N 15 119.803 0.3 . 1 . . . . . 346 ARG N . 51105 1 1121 . 1 . 1 347 347 GLN H H 1 7.8671 0.020 . 1 . . . . . 347 GLN H . 51105 1 1122 . 1 . 1 347 347 GLN C C 13 176.1648 0.3 . 1 . . . . . 347 GLN C . 51105 1 1123 . 1 . 1 347 347 GLN CA C 13 57.9884 0.3 . 1 . . . . . 347 GLN CA . 51105 1 1124 . 1 . 1 347 347 GLN N N 15 116.802 0.3 . 1 . . . . . 347 GLN N . 51105 1 1125 . 1 . 1 349 349 ARG H H 1 7.5901 0.020 . 1 . . . . . 349 ARG H . 51105 1 1126 . 1 . 1 349 349 ARG C C 13 175.1728 0.3 . 1 . . . . . 349 ARG C . 51105 1 1127 . 1 . 1 349 349 ARG CA C 13 58.0324 0.3 . 1 . . . . . 349 ARG CA . 51105 1 1128 . 1 . 1 349 349 ARG N N 15 115.458 0.3 . 1 . . . . . 349 ARG N . 51105 1 1129 . 1 . 1 350 350 TYR H H 1 8.1391 0.020 . 1 . . . . . 350 TYR H . 51105 1 1130 . 1 . 1 350 350 TYR C C 13 174.8588 0.3 . 1 . . . . . 350 TYR C . 51105 1 1131 . 1 . 1 350 350 TYR CA C 13 60.1214 0.3 . 1 . . . . . 350 TYR CA . 51105 1 1132 . 1 . 1 350 350 TYR N N 15 115.127 0.3 . 1 . . . . . 350 TYR N . 51105 1 1133 . 1 . 1 352 352 HIS H H 1 8.2101 0.020 . 1 . . . . . 352 HIS H . 51105 1 1134 . 1 . 1 352 352 HIS C C 13 176.6468 0.3 . 1 . . . . . 352 HIS C . 51105 1 1135 . 1 . 1 352 352 HIS CA C 13 56.4944 0.3 . 1 . . . . . 352 HIS CA . 51105 1 1136 . 1 . 1 352 352 HIS N N 15 115.412 0.3 . 1 . . . . . 352 HIS N . 51105 1 1137 . 1 . 1 353 353 GLY H H 1 8.0361 0.020 . 1 . . . . . 353 GLY H . 51105 1 1138 . 1 . 1 353 353 GLY C C 13 172.1518 0.3 . 1 . . . . . 353 GLY C . 51105 1 1139 . 1 . 1 353 353 GLY CA C 13 48.6084 0.3 . 1 . . . . . 353 GLY CA . 51105 1 1140 . 1 . 1 353 353 GLY N N 15 108.87 0.3 . 1 . . . . . 353 GLY N . 51105 1 1141 . 1 . 1 354 354 ALA H H 1 8.0521 0.020 . 1 . . . . . 354 ALA H . 51105 1 1142 . 1 . 1 354 354 ALA C C 13 174.1978 0.3 . 1 . . . . . 354 ALA C . 51105 1 1143 . 1 . 1 354 354 ALA CA C 13 51.2544 0.3 . 1 . . . . . 354 ALA CA . 51105 1 1144 . 1 . 1 354 354 ALA N N 15 128.449 0.3 . 1 . . . . . 354 ALA N . 51105 1 1145 . 1 . 1 356 356 VAL H H 1 7.4511 0.020 . 1 . . . . . 356 VAL H . 51105 1 1146 . 1 . 1 356 356 VAL C C 13 173.9648 0.3 . 1 . . . . . 356 VAL C . 51105 1 1147 . 1 . 1 356 356 VAL CA C 13 64.9284 0.3 . 1 . . . . . 356 VAL CA . 51105 1 1148 . 1 . 1 356 356 VAL N N 15 121.321 0.3 . 1 . . . . . 356 VAL N . 51105 1 1149 . 1 . 1 357 357 VAL H H 1 8.8211 0.020 . 1 . . . . . 357 VAL H . 51105 1 1150 . 1 . 1 357 357 VAL C C 13 173.1138 0.3 . 1 . . . . . 357 VAL C . 51105 1 1151 . 1 . 1 357 357 VAL CA C 13 62.7174 0.3 . 1 . . . . . 357 VAL CA . 51105 1 1152 . 1 . 1 357 357 VAL N N 15 129.688 0.3 . 1 . . . . . 357 VAL N . 51105 1 1153 . 1 . 1 358 358 PHE H H 1 9.4991 0.020 . 1 . . . . . 358 PHE H . 51105 1 1154 . 1 . 1 358 358 PHE CA C 13 57.1124 0.3 . 1 . . . . . 358 PHE CA . 51105 1 1155 . 1 . 1 358 358 PHE N N 15 125.847 0.3 . 1 . . . . . 358 PHE N . 51105 1 1156 . 1 . 1 360 360 SER H H 1 8.0451 0.020 . 1 . . . . . 360 SER H . 51105 1 1157 . 1 . 1 360 360 SER C C 13 173.5948 0.3 . 1 . . . . . 360 SER C . 51105 1 1158 . 1 . 1 360 360 SER CA C 13 58.5194 0.3 . 1 . . . . . 360 SER CA . 51105 1 1159 . 1 . 1 360 360 SER N N 15 117.046 0.3 . 1 . . . . . 360 SER N . 51105 1 1160 . 1 . 1 361 361 ASN H H 1 8.7901 0.020 . 1 . . . . . 361 ASN H . 51105 1 1161 . 1 . 1 361 361 ASN C C 13 174.4808 0.3 . 1 . . . . . 361 ASN C . 51105 1 1162 . 1 . 1 361 361 ASN CA C 13 53.4324 0.3 . 1 . . . . . 361 ASN CA . 51105 1 1163 . 1 . 1 361 361 ASN N N 15 128.658 0.3 . 1 . . . . . 361 ASN N . 51105 1 1164 . 1 . 1 363 363 GLY H H 1 9.3121 0.020 . 1 . . . . . 363 GLY H . 51105 1 1165 . 1 . 1 363 363 GLY C C 13 173.5348 0.3 . 1 . . . . . 363 GLY C . 51105 1 1166 . 1 . 1 363 363 GLY CA C 13 47.4134 0.3 . 1 . . . . . 363 GLY CA . 51105 1 1167 . 1 . 1 363 363 GLY N N 15 110.14 0.3 . 1 . . . . . 363 GLY N . 51105 1 1168 . 1 . 1 364 364 ARG H H 1 8.1791 0.020 . 1 . . . . . 364 ARG H . 51105 1 1169 . 1 . 1 364 364 ARG C C 13 173.2008 0.3 . 1 . . . . . 364 ARG C . 51105 1 1170 . 1 . 1 364 364 ARG CA C 13 57.0634 0.3 . 1 . . . . . 364 ARG CA . 51105 1 1171 . 1 . 1 364 364 ARG N N 15 118.608 0.3 . 1 . . . . . 364 ARG N . 51105 1 1172 . 1 . 1 365 365 SER H H 1 8.6031 0.020 . 1 . . . . . 365 SER H . 51105 1 1173 . 1 . 1 365 365 SER CA C 13 59.3384 0.3 . 1 . . . . . 365 SER CA . 51105 1 1174 . 1 . 1 365 365 SER N N 15 113.802 0.3 . 1 . . . . . 365 SER N . 51105 1 1175 . 1 . 1 368 368 SER H H 1 8.5471 0.020 . 1 . . . . . 368 SER H . 51105 1 1176 . 1 . 1 368 368 SER CA C 13 60.3254 0.3 . 1 . . . . . 368 SER CA . 51105 1 1177 . 1 . 1 368 368 SER N N 15 112.254 0.3 . 1 . . . . . 368 SER N . 51105 1 1178 . 1 . 1 369 369 SER H H 1 10.3871 0.020 . 1 . . . . . 369 SER H . 51105 1 1179 . 1 . 1 369 369 SER C C 13 175.2028 0.3 . 1 . . . . . 369 SER C . 51105 1 1180 . 1 . 1 369 369 SER CA C 13 61.2994 0.3 . 1 . . . . . 369 SER CA . 51105 1 1181 . 1 . 1 369 369 SER N N 15 124.682 0.3 . 1 . . . . . 369 SER N . 51105 1 1182 . 1 . 1 370 370 ARG H H 1 7.7181 0.020 . 1 . . . . . 370 ARG H . 51105 1 1183 . 1 . 1 370 370 ARG C C 13 176.8628 0.3 . 1 . . . . . 370 ARG C . 51105 1 1184 . 1 . 1 370 370 ARG CA C 13 58.7894 0.3 . 1 . . . . . 370 ARG CA . 51105 1 1185 . 1 . 1 370 370 ARG N N 15 123.579 0.3 . 1 . . . . . 370 ARG N . 51105 1 1186 . 1 . 1 371 371 ALA H H 1 8.7511 0.020 . 1 . . . . . 371 ALA H . 51105 1 1187 . 1 . 1 371 371 ALA C C 13 178.2168 0.3 . 1 . . . . . 371 ALA C . 51105 1 1188 . 1 . 1 371 371 ALA CA C 13 56.9624 0.3 . 1 . . . . . 371 ALA CA . 51105 1 1189 . 1 . 1 371 371 ALA N N 15 126.532 0.3 . 1 . . . . . 371 ALA N . 51105 1 1190 . 1 . 1 372 372 GLU H H 1 8.0231 0.020 . 1 . . . . . 372 GLU H . 51105 1 1191 . 1 . 1 372 372 GLU C C 13 175.0828 0.3 . 1 . . . . . 372 GLU C . 51105 1 1192 . 1 . 1 372 372 GLU CA C 13 57.4234 0.3 . 1 . . . . . 372 GLU CA . 51105 1 1193 . 1 . 1 372 372 GLU N N 15 116.008 0.3 . 1 . . . . . 372 GLU N . 51105 1 1194 . 1 . 1 373 373 SER H H 1 8.8021 0.020 . 1 . . . . . 373 SER H . 51105 1 1195 . 1 . 1 373 373 SER C C 13 174.4688 0.3 . 1 . . . . . 373 SER C . 51105 1 1196 . 1 . 1 373 373 SER CA C 13 55.6084 0.3 . 1 . . . . . 373 SER CA . 51105 1 1197 . 1 . 1 373 373 SER N N 15 116.848 0.3 . 1 . . . . . 373 SER N . 51105 1 1198 . 1 . 1 375 375 LEU H H 1 8.6901 0.020 . 1 . . . . . 375 LEU H . 51105 1 1199 . 1 . 1 375 375 LEU C C 13 176.2578 0.3 . 1 . . . . . 375 LEU C . 51105 1 1200 . 1 . 1 375 375 LEU CA C 13 60.1304 0.3 . 1 . . . . . 375 LEU CA . 51105 1 1201 . 1 . 1 375 375 LEU N N 15 115.405 0.3 . 1 . . . . . 375 LEU N . 51105 1 1202 . 1 . 1 376 376 GLY H H 1 7.8021 0.020 . 1 . . . . . 376 GLY H . 51105 1 1203 . 1 . 1 376 376 GLY C C 13 173.6168 0.3 . 1 . . . . . 376 GLY C . 51105 1 1204 . 1 . 1 376 376 GLY CA C 13 44.9114 0.3 . 1 . . . . . 376 GLY CA . 51105 1 1205 . 1 . 1 376 376 GLY N N 15 106.396 0.3 . 1 . . . . . 376 GLY N . 51105 1 1206 . 1 . 1 377 377 GLU H H 1 8.7501 0.020 . 1 . . . . . 377 GLU H . 51105 1 1207 . 1 . 1 377 377 GLU C C 13 175.5228 0.3 . 1 . . . . . 377 GLU C . 51105 1 1208 . 1 . 1 377 377 GLU CA C 13 55.2404 0.3 . 1 . . . . . 377 GLU CA . 51105 1 1209 . 1 . 1 377 377 GLU N N 15 119.096 0.3 . 1 . . . . . 377 GLU N . 51105 1 1210 . 1 . 1 379 379 GLU H H 1 7.8661 0.020 . 1 . . . . . 379 GLU H . 51105 1 1211 . 1 . 1 379 379 GLU C C 13 175.5948 0.3 . 1 . . . . . 379 GLU C . 51105 1 1212 . 1 . 1 379 379 GLU CA C 13 57.5954 0.3 . 1 . . . . . 379 GLU CA . 51105 1 1213 . 1 . 1 379 379 GLU N N 15 125.294 0.3 . 1 . . . . . 379 GLU N . 51105 1 1214 . 1 . 1 380 380 TRP H H 1 8.5931 0.020 . 1 . . . . . 380 TRP H . 51105 1 1215 . 1 . 1 380 380 TRP C C 13 175.0328 0.3 . 1 . . . . . 380 TRP C . 51105 1 1216 . 1 . 1 380 380 TRP CA C 13 64.0194 0.3 . 1 . . . . . 380 TRP CA . 51105 1 1217 . 1 . 1 380 380 TRP N N 15 129.996 0.3 . 1 . . . . . 380 TRP N . 51105 1 1218 . 1 . 1 381 381 GLY H H 1 6.9401 0.020 . 1 . . . . . 381 GLY H . 51105 1 1219 . 1 . 1 381 381 GLY C C 13 169.2078 0.3 . 1 . . . . . 381 GLY C . 51105 1 1220 . 1 . 1 381 381 GLY CA C 13 48.0154 0.3 . 1 . . . . . 381 GLY CA . 51105 1 1221 . 1 . 1 381 381 GLY N N 15 112.99 0.3 . 1 . . . . . 381 GLY N . 51105 1 1222 . 1 . 1 382 382 ILE H H 1 8.8381 0.020 . 1 . . . . . 382 ILE H . 51105 1 1223 . 1 . 1 382 382 ILE C C 13 169.8308 0.3 . 1 . . . . . 382 ILE C . 51105 1 1224 . 1 . 1 382 382 ILE CA C 13 59.7774 0.3 . 1 . . . . . 382 ILE CA . 51105 1 1225 . 1 . 1 382 382 ILE N N 15 114.483 0.3 . 1 . . . . . 382 ILE N . 51105 1 1226 . 1 . 1 388 388 VAL H H 1 7.1901 0.020 . 1 . . . . . 388 VAL H . 51105 1 1227 . 1 . 1 388 388 VAL C C 13 175.6948 0.3 . 1 . . . . . 388 VAL C . 51105 1 1228 . 1 . 1 388 388 VAL CA C 13 64.9684 0.3 . 1 . . . . . 388 VAL CA . 51105 1 1229 . 1 . 1 388 388 VAL N N 15 118.217 0.3 . 1 . . . . . 388 VAL N . 51105 1 1230 . 1 . 1 389 389 TRP H H 1 10.1901 0.020 . 1 . . . . . 389 TRP H . 51105 1 1231 . 1 . 1 389 389 TRP C C 13 176.3198 0.3 . 1 . . . . . 389 TRP C . 51105 1 1232 . 1 . 1 389 389 TRP CA C 13 59.5914 0.3 . 1 . . . . . 389 TRP CA . 51105 1 1233 . 1 . 1 389 389 TRP N N 15 127.716 0.3 . 1 . . . . . 389 TRP N . 51105 1 1234 . 1 . 1 393 393 LEU H H 1 8.7891 0.020 . 1 . . . . . 393 LEU H . 51105 1 1235 . 1 . 1 393 393 LEU C C 13 174.8958 0.3 . 1 . . . . . 393 LEU C . 51105 1 1236 . 1 . 1 393 393 LEU CA C 13 56.3774 0.3 . 1 . . . . . 393 LEU CA . 51105 1 1237 . 1 . 1 393 393 LEU N N 15 130.122 0.3 . 1 . . . . . 393 LEU N . 51105 1 1238 . 1 . 1 394 394 ALA H H 1 8.0301 0.020 . 1 . . . . . 394 ALA H . 51105 1 1239 . 1 . 1 394 394 ALA C C 13 175.2778 0.3 . 1 . . . . . 394 ALA C . 51105 1 1240 . 1 . 1 394 394 ALA CA C 13 52.3324 0.3 . 1 . . . . . 394 ALA CA . 51105 1 1241 . 1 . 1 394 394 ALA N N 15 126.906 0.3 . 1 . . . . . 394 ALA N . 51105 1 1242 . 1 . 1 395 395 PHE H H 1 8.4361 0.020 . 1 . . . . . 395 PHE H . 51105 1 1243 . 1 . 1 395 395 PHE C C 13 171.1138 0.3 . 1 . . . . . 395 PHE C . 51105 1 1244 . 1 . 1 395 395 PHE CA C 13 58.2514 0.3 . 1 . . . . . 395 PHE CA . 51105 1 1245 . 1 . 1 395 395 PHE N N 15 117.347 0.3 . 1 . . . . . 395 PHE N . 51105 1 1246 . 1 . 1 396 396 GLU H H 1 8.8301 0.020 . 1 . . . . . 396 GLU H . 51105 1 1247 . 1 . 1 396 396 GLU C C 13 175.5088 0.3 . 1 . . . . . 396 GLU C . 51105 1 1248 . 1 . 1 396 396 GLU CA C 13 57.1084 0.3 . 1 . . . . . 396 GLU CA . 51105 1 1249 . 1 . 1 396 396 GLU N N 15 119.604 0.3 . 1 . . . . . 396 GLU N . 51105 1 1250 . 1 . 1 397 397 HIS H H 1 9.0551 0.020 . 1 . . . . . 397 HIS H . 51105 1 1251 . 1 . 1 397 397 HIS C C 13 175.6818 0.3 . 1 . . . . . 397 HIS C . 51105 1 1252 . 1 . 1 397 397 HIS CA C 13 58.4634 0.3 . 1 . . . . . 397 HIS CA . 51105 1 1253 . 1 . 1 397 397 HIS N N 15 123.307 0.3 . 1 . . . . . 397 HIS N . 51105 1 1254 . 1 . 1 398 398 HIS H H 1 9.3921 0.020 . 1 . . . . . 398 HIS H . 51105 1 1255 . 1 . 1 398 398 HIS C C 13 175.0538 0.3 . 1 . . . . . 398 HIS C . 51105 1 1256 . 1 . 1 398 398 HIS CA C 13 57.8024 0.3 . 1 . . . . . 398 HIS CA . 51105 1 1257 . 1 . 1 398 398 HIS N N 15 126.233 0.3 . 1 . . . . . 398 HIS N . 51105 1 1258 . 1 . 1 399 399 GLY H H 1 8.9611 0.020 . 1 . . . . . 399 GLY H . 51105 1 1259 . 1 . 1 399 399 GLY C C 13 173.3808 0.3 . 1 . . . . . 399 GLY C . 51105 1 1260 . 1 . 1 399 399 GLY CA C 13 47.8574 0.3 . 1 . . . . . 399 GLY CA . 51105 1 1261 . 1 . 1 399 399 GLY N N 15 104.587 0.3 . 1 . . . . . 399 GLY N . 51105 1 1262 . 1 . 1 400 400 GLU H H 1 7.6561 0.020 . 1 . . . . . 400 GLU H . 51105 1 1263 . 1 . 1 400 400 GLU C C 13 175.9098 0.3 . 1 . . . . . 400 GLU C . 51105 1 1264 . 1 . 1 400 400 GLU CA C 13 56.7184 0.3 . 1 . . . . . 400 GLU CA . 51105 1 1265 . 1 . 1 400 400 GLU N N 15 117.881 0.3 . 1 . . . . . 400 GLU N . 51105 1 1266 . 1 . 1 401 401 VAL H H 1 8.2371 0.020 . 1 . . . . . 401 VAL H . 51105 1 1267 . 1 . 1 401 401 VAL C C 13 173.8518 0.3 . 1 . . . . . 401 VAL C . 51105 1 1268 . 1 . 1 401 401 VAL CA C 13 64.0174 0.3 . 1 . . . . . 401 VAL CA . 51105 1 1269 . 1 . 1 401 401 VAL N N 15 120.992 0.3 . 1 . . . . . 401 VAL N . 51105 1 1270 . 1 . 1 402 402 TRP H H 1 9.1001 0.020 . 1 . . . . . 402 TRP H . 51105 1 1271 . 1 . 1 402 402 TRP C C 13 173.8078 0.3 . 1 . . . . . 402 TRP C . 51105 1 1272 . 1 . 1 402 402 TRP CA C 13 58.5684 0.3 . 1 . . . . . 402 TRP CA . 51105 1 1273 . 1 . 1 402 402 TRP N N 15 130.892 0.3 . 1 . . . . . 402 TRP N . 51105 1 1274 . 1 . 1 403 403 LEU H H 1 8.8111 0.020 . 1 . . . . . 403 LEU H . 51105 1 1275 . 1 . 1 403 403 LEU C C 13 175.1838 0.3 . 1 . . . . . 403 LEU C . 51105 1 1276 . 1 . 1 403 403 LEU CA C 13 55.1764 0.3 . 1 . . . . . 403 LEU CA . 51105 1 1277 . 1 . 1 403 403 LEU N N 15 120.327 0.3 . 1 . . . . . 403 LEU N . 51105 1 1278 . 1 . 1 404 404 GLN H H 1 9.1751 0.020 . 1 . . . . . 404 GLN H . 51105 1 1279 . 1 . 1 404 404 GLN C C 13 176.0418 0.3 . 1 . . . . . 404 GLN C . 51105 1 1280 . 1 . 1 404 404 GLN CA C 13 56.3934 0.3 . 1 . . . . . 404 GLN CA . 51105 1 1281 . 1 . 1 404 404 GLN N N 15 121.221 0.3 . 1 . . . . . 404 GLN N . 51105 1 1282 . 1 . 1 405 405 TRP H H 1 10.1031 0.020 . 1 . . . . . 405 TRP H . 51105 1 1283 . 1 . 1 405 405 TRP C C 13 174.3438 0.3 . 1 . . . . . 405 TRP C . 51105 1 1284 . 1 . 1 405 405 TRP CA C 13 58.2084 0.3 . 1 . . . . . 405 TRP CA . 51105 1 1285 . 1 . 1 405 405 TRP N N 15 128.663 0.3 . 1 . . . . . 405 TRP N . 51105 1 1286 . 1 . 1 406 406 ASP H H 1 8.7431 0.020 . 1 . . . . . 406 ASP H . 51105 1 1287 . 1 . 1 406 406 ASP C C 13 176.8288 0.3 . 1 . . . . . 406 ASP C . 51105 1 1288 . 1 . 1 406 406 ASP CA C 13 55.4034 0.3 . 1 . . . . . 406 ASP CA . 51105 1 1289 . 1 . 1 406 406 ASP N N 15 125.91 0.3 . 1 . . . . . 406 ASP N . 51105 1 1290 . 1 . 1 408 408 ASN H H 1 8.3901 0.020 . 1 . . . . . 408 ASN H . 51105 1 1291 . 1 . 1 408 408 ASN C C 13 175.7668 0.3 . 1 . . . . . 408 ASN C . 51105 1 1292 . 1 . 1 408 408 ASN CA C 13 53.3754 0.3 . 1 . . . . . 408 ASN CA . 51105 1 1293 . 1 . 1 408 408 ASN N N 15 119.51 0.3 . 1 . . . . . 408 ASN N . 51105 1 1294 . 1 . 1 409 409 ASP H H 1 8.6241 0.020 . 1 . . . . . 409 ASP H . 51105 1 1295 . 1 . 1 409 409 ASP C C 13 178.9608 0.3 . 1 . . . . . 409 ASP C . 51105 1 1296 . 1 . 1 409 409 ASP CA C 13 59.8764 0.3 . 1 . . . . . 409 ASP CA . 51105 1 1297 . 1 . 1 409 409 ASP N N 15 122.731 0.3 . 1 . . . . . 409 ASP N . 51105 1 1298 . 1 . 1 410 410 ALA H H 1 7.7181 0.020 . 1 . . . . . 410 ALA H . 51105 1 1299 . 1 . 1 410 410 ALA C C 13 177.8138 0.3 . 1 . . . . . 410 ALA C . 51105 1 1300 . 1 . 1 410 410 ALA CA C 13 55.8274 0.3 . 1 . . . . . 410 ALA CA . 51105 1 1301 . 1 . 1 410 410 ALA N N 15 119.955 0.3 . 1 . . . . . 410 ALA N . 51105 1 1302 . 1 . 1 411 411 LEU H H 1 6.7271 0.020 . 1 . . . . . 411 LEU H . 51105 1 1303 . 1 . 1 411 411 LEU C C 13 176.2158 0.3 . 1 . . . . . 411 LEU C . 51105 1 1304 . 1 . 1 411 411 LEU CA C 13 57.7814 0.3 . 1 . . . . . 411 LEU CA . 51105 1 1305 . 1 . 1 411 411 LEU N N 15 113.664 0.3 . 1 . . . . . 411 LEU N . 51105 1 1306 . 1 . 1 412 412 PHE H H 1 7.2341 0.020 . 1 . . . . . 412 PHE H . 51105 1 1307 . 1 . 1 412 412 PHE C C 13 172.8158 0.3 . 1 . . . . . 412 PHE C . 51105 1 1308 . 1 . 1 412 412 PHE CA C 13 57.7284 0.3 . 1 . . . . . 412 PHE CA . 51105 1 1309 . 1 . 1 412 412 PHE N N 15 114.717 0.3 . 1 . . . . . 412 PHE N . 51105 1 1310 . 1 . 1 415 415 ALA H H 1 8.8661 0.020 . 1 . . . . . 415 ALA H . 51105 1 1311 . 1 . 1 415 415 ALA C C 13 178.5338 0.3 . 1 . . . . . 415 ALA C . 51105 1 1312 . 1 . 1 415 415 ALA CA C 13 56.4854 0.3 . 1 . . . . . 415 ALA CA . 51105 1 1313 . 1 . 1 415 415 ALA N N 15 121.016 0.3 . 1 . . . . . 415 ALA N . 51105 1 1314 . 1 . 1 416 416 LEU H H 1 7.9291 0.020 . 1 . . . . . 416 LEU H . 51105 1 1315 . 1 . 1 416 416 LEU C C 13 179.0128 0.3 . 1 . . . . . 416 LEU C . 51105 1 1316 . 1 . 1 416 416 LEU CA C 13 61.9134 0.3 . 1 . . . . . 416 LEU CA . 51105 1 1317 . 1 . 1 416 416 LEU N N 15 122.419 0.3 . 1 . . . . . 416 LEU N . 51105 1 1318 . 1 . 1 417 417 VAL H H 1 8.2441 0.020 . 1 . . . . . 417 VAL H . 51105 1 1319 . 1 . 1 417 417 VAL C C 13 177.8428 0.3 . 1 . . . . . 417 VAL C . 51105 1 1320 . 1 . 1 417 417 VAL CA C 13 69.4024 0.3 . 1 . . . . . 417 VAL CA . 51105 1 1321 . 1 . 1 417 417 VAL N N 15 116.856 0.3 . 1 . . . . . 417 VAL N . 51105 1 1322 . 1 . 1 418 418 GLU H H 1 7.8571 0.020 . 1 . . . . . 418 GLU H . 51105 1 1323 . 1 . 1 418 418 GLU C C 13 178.2278 0.3 . 1 . . . . . 418 GLU C . 51105 1 1324 . 1 . 1 418 418 GLU CA C 13 62.5184 0.3 . 1 . . . . . 418 GLU CA . 51105 1 1325 . 1 . 1 418 418 GLU N N 15 120.053 0.3 . 1 . . . . . 418 GLU N . 51105 1 1326 . 1 . 1 419 419 THR H H 1 8.1311 0.020 . 1 . . . . . 419 THR H . 51105 1 1327 . 1 . 1 419 419 THR C C 13 177.7188 0.3 . 1 . . . . . 419 THR C . 51105 1 1328 . 1 . 1 419 419 THR CA C 13 68.7704 0.3 . 1 . . . . . 419 THR CA . 51105 1 1329 . 1 . 1 419 419 THR N N 15 114.067 0.3 . 1 . . . . . 419 THR N . 51105 1 1330 . 1 . 1 420 420 LEU H H 1 8.3661 0.020 . 1 . . . . . 420 LEU H . 51105 1 1331 . 1 . 1 420 420 LEU C C 13 177.8028 0.3 . 1 . . . . . 420 LEU C . 51105 1 1332 . 1 . 1 420 420 LEU CA C 13 60.3284 0.3 . 1 . . . . . 420 LEU CA . 51105 1 1333 . 1 . 1 420 420 LEU N N 15 122.969 0.3 . 1 . . . . . 420 LEU N . 51105 1 1334 . 1 . 1 421 421 PHE H H 1 9.0711 0.020 . 1 . . . . . 421 PHE H . 51105 1 1335 . 1 . 1 421 421 PHE C C 13 177.9408 0.3 . 1 . . . . . 421 PHE C . 51105 1 1336 . 1 . 1 421 421 PHE CA C 13 63.8184 0.3 . 1 . . . . . 421 PHE CA . 51105 1 1337 . 1 . 1 421 421 PHE N N 15 120.947 0.3 . 1 . . . . . 421 PHE N . 51105 1 1338 . 1 . 1 422 422 ASP H H 1 8.5021 0.020 . 1 . . . . . 422 ASP H . 51105 1 1339 . 1 . 1 422 422 ASP C C 13 178.8808 0.3 . 1 . . . . . 422 ASP C . 51105 1 1340 . 1 . 1 422 422 ASP CA C 13 60.1004 0.3 . 1 . . . . . 422 ASP CA . 51105 1 1341 . 1 . 1 422 422 ASP N N 15 120.323 0.3 . 1 . . . . . 422 ASP N . 51105 1 1342 . 1 . 1 423 423 ALA H H 1 7.9131 0.020 . 1 . . . . . 423 ALA H . 51105 1 1343 . 1 . 1 423 423 ALA C C 13 179.6978 0.3 . 1 . . . . . 423 ALA C . 51105 1 1344 . 1 . 1 423 423 ALA CA C 13 57.3724 0.3 . 1 . . . . . 423 ALA CA . 51105 1 1345 . 1 . 1 423 423 ALA N N 15 121.565 0.3 . 1 . . . . . 423 ALA N . 51105 1 1346 . 1 . 1 426 426 GLN H H 1 7.9761 0.020 . 1 . . . . . 426 GLN H . 51105 1 1347 . 1 . 1 426 426 GLN C C 13 179.0818 0.3 . 1 . . . . . 426 GLN C . 51105 1 1348 . 1 . 1 426 426 GLN CA C 13 61.1984 0.3 . 1 . . . . . 426 GLN CA . 51105 1 1349 . 1 . 1 426 426 GLN N N 15 117.343 0.3 . 1 . . . . . 426 GLN N . 51105 1 1350 . 1 . 1 427 427 LEU H H 1 7.9321 0.020 . 1 . . . . . 427 LEU H . 51105 1 1351 . 1 . 1 427 427 LEU C C 13 177.8868 0.3 . 1 . . . . . 427 LEU C . 51105 1 1352 . 1 . 1 427 427 LEU CA C 13 60.3814 0.3 . 1 . . . . . 427 LEU CA . 51105 1 1353 . 1 . 1 427 427 LEU N N 15 122.004 0.3 . 1 . . . . . 427 LEU N . 51105 1 1354 . 1 . 1 429 429 ASN H H 1 8.2351 0.020 . 1 . . . . . 429 ASN H . 51105 1 1355 . 1 . 1 429 429 ASN C C 13 177.9868 0.3 . 1 . . . . . 429 ASN C . 51105 1 1356 . 1 . 1 429 429 ASN CA C 13 59.3034 0.3 . 1 . . . . . 429 ASN CA . 51105 1 1357 . 1 . 1 429 429 ASN N N 15 116.845 0.3 . 1 . . . . . 429 ASN N . 51105 1 1358 . 1 . 1 430 430 GLN H H 1 8.2651 0.020 . 1 . . . . . 430 GLN H . 51105 1 1359 . 1 . 1 430 430 GLN C C 13 178.3248 0.3 . 1 . . . . . 430 GLN C . 51105 1 1360 . 1 . 1 430 430 GLN CA C 13 62.1624 0.3 . 1 . . . . . 430 GLN CA . 51105 1 1361 . 1 . 1 430 430 GLN N N 15 119.933 0.3 . 1 . . . . . 430 GLN N . 51105 1 1362 . 1 . 1 433 433 ASP H H 1 7.8461 0.020 . 1 . . . . . 433 ASP H . 51105 1 1363 . 1 . 1 433 433 ASP C C 13 176.6638 0.3 . 1 . . . . . 433 ASP C . 51105 1 1364 . 1 . 1 433 433 ASP CA C 13 58.5804 0.3 . 1 . . . . . 433 ASP CA . 51105 1 1365 . 1 . 1 433 433 ASP N N 15 118.402 0.3 . 1 . . . . . 433 ASP N . 51105 1 1366 . 1 . 1 434 434 ASP H H 1 8.7391 0.020 . 1 . . . . . 434 ASP H . 51105 1 1367 . 1 . 1 434 434 ASP C C 13 176.2868 0.3 . 1 . . . . . 434 ASP C . 51105 1 1368 . 1 . 1 434 434 ASP CA C 13 54.9754 0.3 . 1 . . . . . 434 ASP CA . 51105 1 1369 . 1 . 1 434 434 ASP N N 15 121.117 0.3 . 1 . . . . . 434 ASP N . 51105 1 1370 . 1 . 1 435 435 GLU H H 1 9.2501 0.020 . 1 . . . . . 435 GLU H . 51105 1 1371 . 1 . 1 435 435 GLU C C 13 179.2258 0.3 . 1 . . . . . 435 GLU C . 51105 1 1372 . 1 . 1 435 435 GLU CA C 13 61.9524 0.3 . 1 . . . . . 435 GLU CA . 51105 1 1373 . 1 . 1 435 435 GLU N N 15 125.095 0.3 . 1 . . . . . 435 GLU N . 51105 1 1374 . 1 . 1 436 436 SER H H 1 8.6011 0.020 . 1 . . . . . 436 SER H . 51105 1 1375 . 1 . 1 436 436 SER C C 13 177.1188 0.3 . 1 . . . . . 436 SER C . 51105 1 1376 . 1 . 1 436 436 SER CA C 13 63.3834 0.3 . 1 . . . . . 436 SER CA . 51105 1 1377 . 1 . 1 436 436 SER N N 15 116.338 0.3 . 1 . . . . . 436 SER N . 51105 1 1378 . 1 . 1 437 437 ALA H H 1 7.7251 0.020 . 1 . . . . . 437 ALA H . 51105 1 1379 . 1 . 1 437 437 ALA C C 13 178.1738 0.3 . 1 . . . . . 437 ALA C . 51105 1 1380 . 1 . 1 437 437 ALA CA C 13 56.7774 0.3 . 1 . . . . . 437 ALA CA . 51105 1 1381 . 1 . 1 437 437 ALA N N 15 126.052 0.3 . 1 . . . . . 437 ALA N . 51105 1 1382 . 1 . 1 438 438 TRP H H 1 7.3011 0.020 . 1 . . . . . 438 TRP H . 51105 1 1383 . 1 . 1 438 438 TRP C C 13 176.9688 0.3 . 1 . . . . . 438 TRP C . 51105 1 1384 . 1 . 1 438 438 TRP CA C 13 62.2894 0.3 . 1 . . . . . 438 TRP CA . 51105 1 1385 . 1 . 1 438 438 TRP N N 15 113.578 0.3 . 1 . . . . . 438 TRP N . 51105 1 1386 . 1 . 1 439 439 GLN H H 1 7.6771 0.020 . 1 . . . . . 439 GLN H . 51105 1 1387 . 1 . 1 439 439 GLN C C 13 173.8778 0.3 . 1 . . . . . 439 GLN C . 51105 1 1388 . 1 . 1 439 439 GLN CA C 13 56.7144 0.3 . 1 . . . . . 439 GLN CA . 51105 1 1389 . 1 . 1 439 439 GLN N N 15 117.22 0.3 . 1 . . . . . 439 GLN N . 51105 1 1390 . 1 . 1 440 440 LYS H H 1 7.2011 0.020 . 1 . . . . . 440 LYS H . 51105 1 1391 . 1 . 1 440 440 LYS C C 13 173.5968 0.3 . 1 . . . . . 440 LYS C . 51105 1 1392 . 1 . 1 440 440 LYS CA C 13 56.2874 0.3 . 1 . . . . . 440 LYS CA . 51105 1 1393 . 1 . 1 440 440 LYS N N 15 119.764 0.3 . 1 . . . . . 440 LYS N . 51105 1 1394 . 1 . 1 442 442 PHE H H 1 9.4551 0.020 . 1 . . . . . 442 PHE H . 51105 1 1395 . 1 . 1 442 442 PHE C C 13 178.9088 0.3 . 1 . . . . . 442 PHE C . 51105 1 1396 . 1 . 1 442 442 PHE CA C 13 65.0324 0.3 . 1 . . . . . 442 PHE CA . 51105 1 1397 . 1 . 1 442 442 PHE N N 15 121.533 0.3 . 1 . . . . . 442 PHE N . 51105 1 1398 . 1 . 1 443 443 ALA H H 1 8.9391 0.020 . 1 . . . . . 443 ALA H . 51105 1 1399 . 1 . 1 443 443 ALA C C 13 178.5528 0.3 . 1 . . . . . 443 ALA C . 51105 1 1400 . 1 . 1 443 443 ALA CA C 13 56.8354 0.3 . 1 . . . . . 443 ALA CA . 51105 1 1401 . 1 . 1 443 443 ALA N N 15 120.792 0.3 . 1 . . . . . 443 ALA N . 51105 1 1402 . 1 . 1 444 444 ASP H H 1 7.5741 0.020 . 1 . . . . . 444 ASP H . 51105 1 1403 . 1 . 1 444 444 ASP C C 13 177.6368 0.3 . 1 . . . . . 444 ASP C . 51105 1 1404 . 1 . 1 444 444 ASP CA C 13 58.4654 0.3 . 1 . . . . . 444 ASP CA . 51105 1 1405 . 1 . 1 444 444 ASP N N 15 116.063 0.3 . 1 . . . . . 444 ASP N . 51105 1 1406 . 1 . 1 445 445 MET H H 1 7.7751 0.020 . 1 . . . . . 445 MET H . 51105 1 1407 . 1 . 1 445 445 MET C C 13 177.0148 0.3 . 1 . . . . . 445 MET C . 51105 1 1408 . 1 . 1 445 445 MET CA C 13 59.5544 0.3 . 1 . . . . . 445 MET CA . 51105 1 1409 . 1 . 1 445 445 MET N N 15 117.314 0.3 . 1 . . . . . 445 MET N . 51105 1 1410 . 1 . 1 446 446 LEU H H 1 8.0021 0.020 . 1 . . . . . 446 LEU H . 51105 1 1411 . 1 . 1 446 446 LEU C C 13 177.5488 0.3 . 1 . . . . . 446 LEU C . 51105 1 1412 . 1 . 1 446 446 LEU CA C 13 57.7044 0.3 . 1 . . . . . 446 LEU CA . 51105 1 1413 . 1 . 1 446 446 LEU N N 15 118.442 0.3 . 1 . . . . . 446 LEU N . 51105 1 1414 . 1 . 1 447 447 GLU H H 1 8.1941 0.020 . 1 . . . . . 447 GLU H . 51105 1 1415 . 1 . 1 447 447 GLU C C 13 176.6468 0.3 . 1 . . . . . 447 GLU C . 51105 1 1416 . 1 . 1 447 447 GLU CA C 13 59.3414 0.3 . 1 . . . . . 447 GLU CA . 51105 1 1417 . 1 . 1 447 447 GLU N N 15 119.452 0.3 . 1 . . . . . 447 GLU N . 51105 1 1418 . 1 . 1 448 448 HIS H H 1 8.1481 0.020 . 1 . . . . . 448 HIS H . 51105 1 1419 . 1 . 1 448 448 HIS C C 13 175.2208 0.3 . 1 . . . . . 448 HIS C . 51105 1 1420 . 1 . 1 448 448 HIS CA C 13 58.4654 0.3 . 1 . . . . . 448 HIS CA . 51105 1 1421 . 1 . 1 448 448 HIS N N 15 118.187 0.3 . 1 . . . . . 448 HIS N . 51105 1 stop_ save_