data_53407 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53407 _Entry.Title ; Tau AT8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-27 _Entry.Accession_date 2025-10-27 _Entry.Last_release_date 2025-10-27 _Entry.Original_release_date 2025-10-27 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Emmanuelle Boll . E.B. . 0009-0003-8353-1404 53407 2 Francois-xavier Cantrelle . F.X.C. . 0000-0002-3413-5443 53407 3 Caroline Smet-Nocca . C.S.N. . 0000-0002-9793-0882 53407 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Integrative Structural Biology' . 53407 2 . 'Facteurs de risque et determinants moleculaires des maladies liees au vieillissement' . 53407 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53407 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1028 53407 '15N chemical shifts' 373 53407 '1H chemical shifts' 343 53407 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-03-30 . original BMRB . 53407 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53407 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Combining experiments and simulations to study the impact of multiple phosphorylations at the AT8 epitope of the Tau protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS One' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details 'BioRxiv (https://www.biorxiv.org/content/10.1101/2025.02.22.639620v4.full).' 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 Emmanuelle Boll . . . . 53407 1 2 Francois-xavier Cantrelle . . . . 53407 1 3 Caroline Smet-Nocca . . . . 53407 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53407 _Assembly.ID 1 _Assembly.Name Tau-AT8 _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 Tau-AT8 1 $entity_1 . . yes native no no . . . 53407 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53407 _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 ; MAEPRQEFEVMEDHAGTYGL GDRKDQGGYTMHQDQEGDTD AGLKEAPLQAPTEDGSEEPG SETSDAKSAPTAEDVTAPLV DEGAPGKQAAAQPHTEIPEG TTAEEAGIGDTPSLEDEAAG HVTQARMVSKSKDGTGSDDK KAKGADGKTKIAAPRGAAPP GQKGQANATRIPAKAPPAPK APPSSGEPPKAGDRSGYSAP GSPGTPGSRSRTPSLPAPPT REPKKVAVVRAPPKAPSSAK SRLQTAPVPMPDLKNVKSKI GATENLKHQPGGGKVQIINK KLDLSNVQSKCGSKDNIKHV PGGGSVQIVYKPVDLSKVTS KCGSLGNIHHKPGGGQVEVK SEKLDFKDRVQSKIGALDNI THVPGGGNKKIETHKLTFRE NAKAKTDHGAEIVYKAPVVS GDTAPRHLSNVSSTGSIDMV DAPQLATLADEVSASLAKQG L ; _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 441 _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 . _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 . 53407 1 2 . ALA . 53407 1 3 . GLU . 53407 1 4 . PRO . 53407 1 5 . ARG . 53407 1 6 . GLN . 53407 1 7 . GLU . 53407 1 8 . PHE . 53407 1 9 . GLU . 53407 1 10 . VAL . 53407 1 11 . MET . 53407 1 12 . GLU . 53407 1 13 . ASP . 53407 1 14 . HIS . 53407 1 15 . ALA . 53407 1 16 . GLY . 53407 1 17 . THR . 53407 1 18 . TYR . 53407 1 19 . GLY . 53407 1 20 . LEU . 53407 1 21 . GLY . 53407 1 22 . ASP . 53407 1 23 . ARG . 53407 1 24 . LYS . 53407 1 25 . ASP . 53407 1 26 . GLN . 53407 1 27 . GLY . 53407 1 28 . GLY . 53407 1 29 . TYR . 53407 1 30 . THR . 53407 1 31 . MET . 53407 1 32 . HIS . 53407 1 33 . GLN . 53407 1 34 . ASP . 53407 1 35 . GLN . 53407 1 36 . GLU . 53407 1 37 . GLY . 53407 1 38 . ASP . 53407 1 39 . THR . 53407 1 40 . ASP . 53407 1 41 . ALA . 53407 1 42 . GLY . 53407 1 43 . LEU . 53407 1 44 . LYS . 53407 1 45 . GLU . 53407 1 46 . ALA . 53407 1 47 . PRO . 53407 1 48 . LEU . 53407 1 49 . GLN . 53407 1 50 . ALA . 53407 1 51 . PRO . 53407 1 52 . THR . 53407 1 53 . GLU . 53407 1 54 . ASP . 53407 1 55 . GLY . 53407 1 56 . SER . 53407 1 57 . GLU . 53407 1 58 . GLU . 53407 1 59 . PRO . 53407 1 60 . GLY . 53407 1 61 . SER . 53407 1 62 . GLU . 53407 1 63 . THR . 53407 1 64 . SER . 53407 1 65 . ASP . 53407 1 66 . ALA . 53407 1 67 . LYS . 53407 1 68 . SER . 53407 1 69 . ALA . 53407 1 70 . PRO . 53407 1 71 . THR . 53407 1 72 . ALA . 53407 1 73 . GLU . 53407 1 74 . ASP . 53407 1 75 . VAL . 53407 1 76 . THR . 53407 1 77 . ALA . 53407 1 78 . PRO . 53407 1 79 . LEU . 53407 1 80 . VAL . 53407 1 81 . ASP . 53407 1 82 . GLU . 53407 1 83 . GLY . 53407 1 84 . ALA . 53407 1 85 . PRO . 53407 1 86 . GLY . 53407 1 87 . LYS . 53407 1 88 . GLN . 53407 1 89 . ALA . 53407 1 90 . ALA . 53407 1 91 . ALA . 53407 1 92 . GLN . 53407 1 93 . PRO . 53407 1 94 . HIS . 53407 1 95 . THR . 53407 1 96 . GLU . 53407 1 97 . ILE . 53407 1 98 . PRO . 53407 1 99 . GLU . 53407 1 100 . GLY . 53407 1 101 . THR . 53407 1 102 . THR . 53407 1 103 . ALA . 53407 1 104 . GLU . 53407 1 105 . GLU . 53407 1 106 . ALA . 53407 1 107 . GLY . 53407 1 108 . ILE . 53407 1 109 . GLY . 53407 1 110 . ASP . 53407 1 111 . THR . 53407 1 112 . PRO . 53407 1 113 . SER . 53407 1 114 . LEU . 53407 1 115 . GLU . 53407 1 116 . ASP . 53407 1 117 . GLU . 53407 1 118 . ALA . 53407 1 119 . ALA . 53407 1 120 . GLY . 53407 1 121 . HIS . 53407 1 122 . VAL . 53407 1 123 . THR . 53407 1 124 . GLN . 53407 1 125 . ALA . 53407 1 126 . ARG . 53407 1 127 . MET . 53407 1 128 . VAL . 53407 1 129 . SER . 53407 1 130 . LYS . 53407 1 131 . SER . 53407 1 132 . LYS . 53407 1 133 . ASP . 53407 1 134 . GLY . 53407 1 135 . THR . 53407 1 136 . GLY . 53407 1 137 . SER . 53407 1 138 . ASP . 53407 1 139 . ASP . 53407 1 140 . LYS . 53407 1 141 . LYS . 53407 1 142 . ALA . 53407 1 143 . LYS . 53407 1 144 . GLY . 53407 1 145 . ALA . 53407 1 146 . ASP . 53407 1 147 . GLY . 53407 1 148 . LYS . 53407 1 149 . THR . 53407 1 150 . LYS . 53407 1 151 . ILE . 53407 1 152 . ALA . 53407 1 153 . ALA . 53407 1 154 . PRO . 53407 1 155 . ARG . 53407 1 156 . GLY . 53407 1 157 . ALA . 53407 1 158 . ALA . 53407 1 159 . PRO . 53407 1 160 . PRO . 53407 1 161 . GLY . 53407 1 162 . GLN . 53407 1 163 . LYS . 53407 1 164 . GLY . 53407 1 165 . GLN . 53407 1 166 . ALA . 53407 1 167 . ASN . 53407 1 168 . ALA . 53407 1 169 . THR . 53407 1 170 . ARG . 53407 1 171 . ILE . 53407 1 172 . PRO . 53407 1 173 . ALA . 53407 1 174 . LYS . 53407 1 175 . ALA . 53407 1 176 . PRO . 53407 1 177 . PRO . 53407 1 178 . ALA . 53407 1 179 . PRO . 53407 1 180 . LYS . 53407 1 181 . ALA . 53407 1 182 . PRO . 53407 1 183 . PRO . 53407 1 184 . SER . 53407 1 185 . SER . 53407 1 186 . GLY . 53407 1 187 . GLU . 53407 1 188 . PRO . 53407 1 189 . PRO . 53407 1 190 . LYS . 53407 1 191 . ALA . 53407 1 192 . GLY . 53407 1 193 . ASP . 53407 1 194 . ARG . 53407 1 195 . SER . 53407 1 196 . GLY . 53407 1 197 . TYR . 53407 1 198 . SER . 53407 1 199 . ALA . 53407 1 200 . PRO . 53407 1 201 . GLY . 53407 1 202 . SER . 53407 1 203 . PRO . 53407 1 204 . GLY . 53407 1 205 . THR . 53407 1 206 . PRO . 53407 1 207 . GLY . 53407 1 208 . SER . 53407 1 209 . ARG . 53407 1 210 . SER . 53407 1 211 . ARG . 53407 1 212 . THR . 53407 1 213 . PRO . 53407 1 214 . SER . 53407 1 215 . LEU . 53407 1 216 . PRO . 53407 1 217 . ALA . 53407 1 218 . PRO . 53407 1 219 . PRO . 53407 1 220 . THR . 53407 1 221 . ARG . 53407 1 222 . GLU . 53407 1 223 . PRO . 53407 1 224 . LYS . 53407 1 225 . LYS . 53407 1 226 . VAL . 53407 1 227 . ALA . 53407 1 228 . VAL . 53407 1 229 . VAL . 53407 1 230 . ARG . 53407 1 231 . ALA . 53407 1 232 . PRO . 53407 1 233 . PRO . 53407 1 234 . LYS . 53407 1 235 . ALA . 53407 1 236 . PRO . 53407 1 237 . SER . 53407 1 238 . SER . 53407 1 239 . ALA . 53407 1 240 . LYS . 53407 1 241 . SER . 53407 1 242 . ARG . 53407 1 243 . LEU . 53407 1 244 . GLN . 53407 1 245 . THR . 53407 1 246 . ALA . 53407 1 247 . PRO . 53407 1 248 . VAL . 53407 1 249 . PRO . 53407 1 250 . MET . 53407 1 251 . PRO . 53407 1 252 . ASP . 53407 1 253 . LEU . 53407 1 254 . LYS . 53407 1 255 . ASN . 53407 1 256 . VAL . 53407 1 257 . LYS . 53407 1 258 . SER . 53407 1 259 . LYS . 53407 1 260 . ILE . 53407 1 261 . GLY . 53407 1 262 . ALA . 53407 1 263 . THR . 53407 1 264 . GLU . 53407 1 265 . ASN . 53407 1 266 . LEU . 53407 1 267 . LYS . 53407 1 268 . HIS . 53407 1 269 . GLN . 53407 1 270 . PRO . 53407 1 271 . GLY . 53407 1 272 . GLY . 53407 1 273 . GLY . 53407 1 274 . LYS . 53407 1 275 . VAL . 53407 1 276 . GLN . 53407 1 277 . ILE . 53407 1 278 . ILE . 53407 1 279 . ASN . 53407 1 280 . LYS . 53407 1 281 . LYS . 53407 1 282 . LEU . 53407 1 283 . ASP . 53407 1 284 . LEU . 53407 1 285 . SER . 53407 1 286 . ASN . 53407 1 287 . VAL . 53407 1 288 . GLN . 53407 1 289 . SER . 53407 1 290 . LYS . 53407 1 291 . CYS . 53407 1 292 . GLY . 53407 1 293 . SER . 53407 1 294 . LYS . 53407 1 295 . ASP . 53407 1 296 . ASN . 53407 1 297 . ILE . 53407 1 298 . LYS . 53407 1 299 . HIS . 53407 1 300 . VAL . 53407 1 301 . PRO . 53407 1 302 . GLY . 53407 1 303 . GLY . 53407 1 304 . GLY . 53407 1 305 . SER . 53407 1 306 . VAL . 53407 1 307 . GLN . 53407 1 308 . ILE . 53407 1 309 . VAL . 53407 1 310 . TYR . 53407 1 311 . LYS . 53407 1 312 . PRO . 53407 1 313 . VAL . 53407 1 314 . ASP . 53407 1 315 . LEU . 53407 1 316 . SER . 53407 1 317 . LYS . 53407 1 318 . VAL . 53407 1 319 . THR . 53407 1 320 . SER . 53407 1 321 . LYS . 53407 1 322 . CYS . 53407 1 323 . GLY . 53407 1 324 . SER . 53407 1 325 . LEU . 53407 1 326 . GLY . 53407 1 327 . ASN . 53407 1 328 . ILE . 53407 1 329 . HIS . 53407 1 330 . HIS . 53407 1 331 . LYS . 53407 1 332 . PRO . 53407 1 333 . GLY . 53407 1 334 . GLY . 53407 1 335 . GLY . 53407 1 336 . GLN . 53407 1 337 . VAL . 53407 1 338 . GLU . 53407 1 339 . VAL . 53407 1 340 . LYS . 53407 1 341 . SER . 53407 1 342 . GLU . 53407 1 343 . LYS . 53407 1 344 . LEU . 53407 1 345 . ASP . 53407 1 346 . PHE . 53407 1 347 . LYS . 53407 1 348 . ASP . 53407 1 349 . ARG . 53407 1 350 . VAL . 53407 1 351 . GLN . 53407 1 352 . SER . 53407 1 353 . LYS . 53407 1 354 . ILE . 53407 1 355 . GLY . 53407 1 356 . ALA . 53407 1 357 . LEU . 53407 1 358 . ASP . 53407 1 359 . ASN . 53407 1 360 . ILE . 53407 1 361 . THR . 53407 1 362 . HIS . 53407 1 363 . VAL . 53407 1 364 . PRO . 53407 1 365 . GLY . 53407 1 366 . GLY . 53407 1 367 . GLY . 53407 1 368 . ASN . 53407 1 369 . LYS . 53407 1 370 . LYS . 53407 1 371 . ILE . 53407 1 372 . GLU . 53407 1 373 . THR . 53407 1 374 . HIS . 53407 1 375 . LYS . 53407 1 376 . LEU . 53407 1 377 . THR . 53407 1 378 . PHE . 53407 1 379 . ARG . 53407 1 380 . GLU . 53407 1 381 . ASN . 53407 1 382 . ALA . 53407 1 383 . LYS . 53407 1 384 . ALA . 53407 1 385 . LYS . 53407 1 386 . THR . 53407 1 387 . ASP . 53407 1 388 . HIS . 53407 1 389 . GLY . 53407 1 390 . ALA . 53407 1 391 . GLU . 53407 1 392 . ILE . 53407 1 393 . VAL . 53407 1 394 . TYR . 53407 1 395 . LYS . 53407 1 396 . ALA . 53407 1 397 . PRO . 53407 1 398 . VAL . 53407 1 399 . VAL . 53407 1 400 . SER . 53407 1 401 . GLY . 53407 1 402 . ASP . 53407 1 403 . THR . 53407 1 404 . ALA . 53407 1 405 . PRO . 53407 1 406 . ARG . 53407 1 407 . HIS . 53407 1 408 . LEU . 53407 1 409 . SER . 53407 1 410 . ASN . 53407 1 411 . VAL . 53407 1 412 . SER . 53407 1 413 . SER . 53407 1 414 . THR . 53407 1 415 . GLY . 53407 1 416 . SER . 53407 1 417 . ILE . 53407 1 418 . ASP . 53407 1 419 . MET . 53407 1 420 . VAL . 53407 1 421 . ASP . 53407 1 422 . ALA . 53407 1 423 . PRO . 53407 1 424 . GLN . 53407 1 425 . LEU . 53407 1 426 . ALA . 53407 1 427 . THR . 53407 1 428 . LEU . 53407 1 429 . ALA . 53407 1 430 . ASP . 53407 1 431 . GLU . 53407 1 432 . VAL . 53407 1 433 . SER . 53407 1 434 . ALA . 53407 1 435 . SER . 53407 1 436 . LEU . 53407 1 437 . ALA . 53407 1 438 . LYS . 53407 1 439 . GLN . 53407 1 440 . GLY . 53407 1 441 . LEU . 53407 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 53407 1 . ALA 2 2 53407 1 . GLU 3 3 53407 1 . PRO 4 4 53407 1 . ARG 5 5 53407 1 . GLN 6 6 53407 1 . GLU 7 7 53407 1 . PHE 8 8 53407 1 . GLU 9 9 53407 1 . VAL 10 10 53407 1 . MET 11 11 53407 1 . GLU 12 12 53407 1 . ASP 13 13 53407 1 . HIS 14 14 53407 1 . ALA 15 15 53407 1 . GLY 16 16 53407 1 . THR 17 17 53407 1 . TYR 18 18 53407 1 . GLY 19 19 53407 1 . LEU 20 20 53407 1 . GLY 21 21 53407 1 . ASP 22 22 53407 1 . ARG 23 23 53407 1 . LYS 24 24 53407 1 . ASP 25 25 53407 1 . GLN 26 26 53407 1 . GLY 27 27 53407 1 . GLY 28 28 53407 1 . TYR 29 29 53407 1 . THR 30 30 53407 1 . MET 31 31 53407 1 . HIS 32 32 53407 1 . GLN 33 33 53407 1 . ASP 34 34 53407 1 . GLN 35 35 53407 1 . GLU 36 36 53407 1 . GLY 37 37 53407 1 . ASP 38 38 53407 1 . THR 39 39 53407 1 . ASP 40 40 53407 1 . ALA 41 41 53407 1 . GLY 42 42 53407 1 . LEU 43 43 53407 1 . LYS 44 44 53407 1 . GLU 45 45 53407 1 . ALA 46 46 53407 1 . PRO 47 47 53407 1 . LEU 48 48 53407 1 . GLN 49 49 53407 1 . ALA 50 50 53407 1 . PRO 51 51 53407 1 . THR 52 52 53407 1 . GLU 53 53 53407 1 . ASP 54 54 53407 1 . GLY 55 55 53407 1 . SER 56 56 53407 1 . GLU 57 57 53407 1 . GLU 58 58 53407 1 . PRO 59 59 53407 1 . GLY 60 60 53407 1 . SER 61 61 53407 1 . GLU 62 62 53407 1 . THR 63 63 53407 1 . SER 64 64 53407 1 . ASP 65 65 53407 1 . ALA 66 66 53407 1 . LYS 67 67 53407 1 . SER 68 68 53407 1 . ALA 69 69 53407 1 . PRO 70 70 53407 1 . THR 71 71 53407 1 . ALA 72 72 53407 1 . GLU 73 73 53407 1 . ASP 74 74 53407 1 . VAL 75 75 53407 1 . THR 76 76 53407 1 . ALA 77 77 53407 1 . PRO 78 78 53407 1 . LEU 79 79 53407 1 . VAL 80 80 53407 1 . ASP 81 81 53407 1 . GLU 82 82 53407 1 . GLY 83 83 53407 1 . ALA 84 84 53407 1 . PRO 85 85 53407 1 . GLY 86 86 53407 1 . LYS 87 87 53407 1 . GLN 88 88 53407 1 . ALA 89 89 53407 1 . ALA 90 90 53407 1 . ALA 91 91 53407 1 . GLN 92 92 53407 1 . PRO 93 93 53407 1 . HIS 94 94 53407 1 . THR 95 95 53407 1 . GLU 96 96 53407 1 . ILE 97 97 53407 1 . PRO 98 98 53407 1 . GLU 99 99 53407 1 . GLY 100 100 53407 1 . THR 101 101 53407 1 . THR 102 102 53407 1 . ALA 103 103 53407 1 . GLU 104 104 53407 1 . GLU 105 105 53407 1 . ALA 106 106 53407 1 . GLY 107 107 53407 1 . ILE 108 108 53407 1 . GLY 109 109 53407 1 . ASP 110 110 53407 1 . THR 111 111 53407 1 . PRO 112 112 53407 1 . SER 113 113 53407 1 . LEU 114 114 53407 1 . GLU 115 115 53407 1 . ASP 116 116 53407 1 . GLU 117 117 53407 1 . ALA 118 118 53407 1 . ALA 119 119 53407 1 . GLY 120 120 53407 1 . HIS 121 121 53407 1 . VAL 122 122 53407 1 . THR 123 123 53407 1 . GLN 124 124 53407 1 . ALA 125 125 53407 1 . ARG 126 126 53407 1 . MET 127 127 53407 1 . VAL 128 128 53407 1 . SER 129 129 53407 1 . LYS 130 130 53407 1 . SER 131 131 53407 1 . LYS 132 132 53407 1 . ASP 133 133 53407 1 . GLY 134 134 53407 1 . THR 135 135 53407 1 . GLY 136 136 53407 1 . SER 137 137 53407 1 . ASP 138 138 53407 1 . ASP 139 139 53407 1 . LYS 140 140 53407 1 . LYS 141 141 53407 1 . ALA 142 142 53407 1 . LYS 143 143 53407 1 . GLY 144 144 53407 1 . ALA 145 145 53407 1 . ASP 146 146 53407 1 . GLY 147 147 53407 1 . LYS 148 148 53407 1 . THR 149 149 53407 1 . LYS 150 150 53407 1 . ILE 151 151 53407 1 . ALA 152 152 53407 1 . ALA 153 153 53407 1 . PRO 154 154 53407 1 . ARG 155 155 53407 1 . GLY 156 156 53407 1 . ALA 157 157 53407 1 . ALA 158 158 53407 1 . PRO 159 159 53407 1 . PRO 160 160 53407 1 . GLY 161 161 53407 1 . GLN 162 162 53407 1 . LYS 163 163 53407 1 . GLY 164 164 53407 1 . GLN 165 165 53407 1 . ALA 166 166 53407 1 . ASN 167 167 53407 1 . ALA 168 168 53407 1 . THR 169 169 53407 1 . ARG 170 170 53407 1 . ILE 171 171 53407 1 . PRO 172 172 53407 1 . ALA 173 173 53407 1 . LYS 174 174 53407 1 . ALA 175 175 53407 1 . PRO 176 176 53407 1 . PRO 177 177 53407 1 . ALA 178 178 53407 1 . PRO 179 179 53407 1 . LYS 180 180 53407 1 . ALA 181 181 53407 1 . PRO 182 182 53407 1 . PRO 183 183 53407 1 . SER 184 184 53407 1 . SER 185 185 53407 1 . GLY 186 186 53407 1 . GLU 187 187 53407 1 . PRO 188 188 53407 1 . PRO 189 189 53407 1 . LYS 190 190 53407 1 . ALA 191 191 53407 1 . GLY 192 192 53407 1 . ASP 193 193 53407 1 . ARG 194 194 53407 1 . SER 195 195 53407 1 . GLY 196 196 53407 1 . TYR 197 197 53407 1 . SER 198 198 53407 1 . ALA 199 199 53407 1 . PRO 200 200 53407 1 . GLY 201 201 53407 1 . SER 202 202 53407 1 . PRO 203 203 53407 1 . GLY 204 204 53407 1 . THR 205 205 53407 1 . PRO 206 206 53407 1 . GLY 207 207 53407 1 . SER 208 208 53407 1 . ARG 209 209 53407 1 . SER 210 210 53407 1 . ARG 211 211 53407 1 . THR 212 212 53407 1 . PRO 213 213 53407 1 . SER 214 214 53407 1 . LEU 215 215 53407 1 . PRO 216 216 53407 1 . ALA 217 217 53407 1 . PRO 218 218 53407 1 . PRO 219 219 53407 1 . THR 220 220 53407 1 . ARG 221 221 53407 1 . GLU 222 222 53407 1 . PRO 223 223 53407 1 . LYS 224 224 53407 1 . LYS 225 225 53407 1 . VAL 226 226 53407 1 . ALA 227 227 53407 1 . VAL 228 228 53407 1 . VAL 229 229 53407 1 . ARG 230 230 53407 1 . ALA 231 231 53407 1 . PRO 232 232 53407 1 . PRO 233 233 53407 1 . LYS 234 234 53407 1 . ALA 235 235 53407 1 . PRO 236 236 53407 1 . SER 237 237 53407 1 . SER 238 238 53407 1 . ALA 239 239 53407 1 . LYS 240 240 53407 1 . SER 241 241 53407 1 . ARG 242 242 53407 1 . LEU 243 243 53407 1 . GLN 244 244 53407 1 . THR 245 245 53407 1 . ALA 246 246 53407 1 . PRO 247 247 53407 1 . VAL 248 248 53407 1 . PRO 249 249 53407 1 . MET 250 250 53407 1 . PRO 251 251 53407 1 . ASP 252 252 53407 1 . LEU 253 253 53407 1 . LYS 254 254 53407 1 . ASN 255 255 53407 1 . VAL 256 256 53407 1 . LYS 257 257 53407 1 . SER 258 258 53407 1 . LYS 259 259 53407 1 . ILE 260 260 53407 1 . GLY 261 261 53407 1 . ALA 262 262 53407 1 . THR 263 263 53407 1 . GLU 264 264 53407 1 . ASN 265 265 53407 1 . LEU 266 266 53407 1 . LYS 267 267 53407 1 . HIS 268 268 53407 1 . GLN 269 269 53407 1 . PRO 270 270 53407 1 . GLY 271 271 53407 1 . GLY 272 272 53407 1 . GLY 273 273 53407 1 . LYS 274 274 53407 1 . VAL 275 275 53407 1 . GLN 276 276 53407 1 . ILE 277 277 53407 1 . ILE 278 278 53407 1 . ASN 279 279 53407 1 . LYS 280 280 53407 1 . LYS 281 281 53407 1 . LEU 282 282 53407 1 . ASP 283 283 53407 1 . LEU 284 284 53407 1 . SER 285 285 53407 1 . ASN 286 286 53407 1 . VAL 287 287 53407 1 . GLN 288 288 53407 1 . SER 289 289 53407 1 . LYS 290 290 53407 1 . CYS 291 291 53407 1 . GLY 292 292 53407 1 . SER 293 293 53407 1 . LYS 294 294 53407 1 . ASP 295 295 53407 1 . ASN 296 296 53407 1 . ILE 297 297 53407 1 . LYS 298 298 53407 1 . HIS 299 299 53407 1 . VAL 300 300 53407 1 . PRO 301 301 53407 1 . GLY 302 302 53407 1 . GLY 303 303 53407 1 . GLY 304 304 53407 1 . SER 305 305 53407 1 . VAL 306 306 53407 1 . GLN 307 307 53407 1 . ILE 308 308 53407 1 . VAL 309 309 53407 1 . TYR 310 310 53407 1 . LYS 311 311 53407 1 . PRO 312 312 53407 1 . VAL 313 313 53407 1 . ASP 314 314 53407 1 . LEU 315 315 53407 1 . SER 316 316 53407 1 . LYS 317 317 53407 1 . VAL 318 318 53407 1 . THR 319 319 53407 1 . SER 320 320 53407 1 . LYS 321 321 53407 1 . CYS 322 322 53407 1 . GLY 323 323 53407 1 . SER 324 324 53407 1 . LEU 325 325 53407 1 . GLY 326 326 53407 1 . ASN 327 327 53407 1 . ILE 328 328 53407 1 . HIS 329 329 53407 1 . HIS 330 330 53407 1 . LYS 331 331 53407 1 . PRO 332 332 53407 1 . GLY 333 333 53407 1 . GLY 334 334 53407 1 . GLY 335 335 53407 1 . GLN 336 336 53407 1 . VAL 337 337 53407 1 . GLU 338 338 53407 1 . VAL 339 339 53407 1 . LYS 340 340 53407 1 . SER 341 341 53407 1 . GLU 342 342 53407 1 . LYS 343 343 53407 1 . LEU 344 344 53407 1 . ASP 345 345 53407 1 . PHE 346 346 53407 1 . LYS 347 347 53407 1 . ASP 348 348 53407 1 . ARG 349 349 53407 1 . VAL 350 350 53407 1 . GLN 351 351 53407 1 . SER 352 352 53407 1 . LYS 353 353 53407 1 . ILE 354 354 53407 1 . GLY 355 355 53407 1 . ALA 356 356 53407 1 . LEU 357 357 53407 1 . ASP 358 358 53407 1 . ASN 359 359 53407 1 . ILE 360 360 53407 1 . THR 361 361 53407 1 . HIS 362 362 53407 1 . VAL 363 363 53407 1 . PRO 364 364 53407 1 . GLY 365 365 53407 1 . GLY 366 366 53407 1 . GLY 367 367 53407 1 . ASN 368 368 53407 1 . LYS 369 369 53407 1 . LYS 370 370 53407 1 . ILE 371 371 53407 1 . GLU 372 372 53407 1 . THR 373 373 53407 1 . HIS 374 374 53407 1 . LYS 375 375 53407 1 . LEU 376 376 53407 1 . THR 377 377 53407 1 . PHE 378 378 53407 1 . ARG 379 379 53407 1 . GLU 380 380 53407 1 . ASN 381 381 53407 1 . ALA 382 382 53407 1 . LYS 383 383 53407 1 . ALA 384 384 53407 1 . LYS 385 385 53407 1 . THR 386 386 53407 1 . ASP 387 387 53407 1 . HIS 388 388 53407 1 . GLY 389 389 53407 1 . ALA 390 390 53407 1 . GLU 391 391 53407 1 . ILE 392 392 53407 1 . VAL 393 393 53407 1 . TYR 394 394 53407 1 . LYS 395 395 53407 1 . ALA 396 396 53407 1 . PRO 397 397 53407 1 . VAL 398 398 53407 1 . VAL 399 399 53407 1 . SER 400 400 53407 1 . GLY 401 401 53407 1 . ASP 402 402 53407 1 . THR 403 403 53407 1 . ALA 404 404 53407 1 . PRO 405 405 53407 1 . ARG 406 406 53407 1 . HIS 407 407 53407 1 . LEU 408 408 53407 1 . SER 409 409 53407 1 . ASN 410 410 53407 1 . VAL 411 411 53407 1 . SER 412 412 53407 1 . SER 413 413 53407 1 . THR 414 414 53407 1 . GLY 415 415 53407 1 . SER 416 416 53407 1 . ILE 417 417 53407 1 . ASP 418 418 53407 1 . MET 419 419 53407 1 . VAL 420 420 53407 1 . ASP 421 421 53407 1 . ALA 422 422 53407 1 . PRO 423 423 53407 1 . GLN 424 424 53407 1 . LEU 425 425 53407 1 . ALA 426 426 53407 1 . THR 427 427 53407 1 . LEU 428 428 53407 1 . ALA 429 429 53407 1 . ASP 430 430 53407 1 . GLU 431 431 53407 1 . VAL 432 432 53407 1 . SER 433 433 53407 1 . ALA 434 434 53407 1 . SER 435 435 53407 1 . LEU 436 436 53407 1 . ALA 437 437 53407 1 . LYS 438 438 53407 1 . GLN 439 439 53407 1 . GLY 440 440 53407 1 . LEU 441 441 53407 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 53407 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53407 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 53407 _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 . . pET15b . . . 53407 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53407 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Tau-AT8 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 53407 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 53407 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53407 1 4 EDTA 'natural abundance' . . . . . . 2.5 . . mM . . . . 53407 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 53407 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 53407 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.099 . M 53407 1 pH 6.4 . pH 53407 1 pressure 1 . atm 53407 1 temperature 293 . K 53407 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53407 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53407 1 'peak picking' . 53407 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53407 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53407 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53407 _Software.ID 3 _Software.Type . _Software.Name MddNMR _Software.Version 2.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53407 3 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 53407 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 900MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53407 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 15N' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 1 4 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 1 5 hNcaNNH no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 1 6 HncaNNH no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 1 7 n-CaCON no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 1 8 NCO no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53407 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 53407 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ShiftList3 _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 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 53407 1 H 1 TSP 'methylene protons' . . . . ppm 0.00 internal direct 1 . . . . . 53407 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 53407 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 53407 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name TauAT8_CS _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 5 hNcaNNH . . . 53407 1 6 HncaNNH . . . 53407 1 7 n-CaCON . . . 53407 1 8 NCO . . . 53407 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 . . 53407 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 PRO C C 13 176.759 . . 1 . . 604 . . 4 PRO C . 53407 1 2 . 1 . 1 5 5 ARG H H 1 8.488 0.0 . 1 . . 945 . . 5 ARG H . 53407 1 3 . 1 . 1 5 5 ARG C C 13 176.345 0.024 . 1 . . 947 . . 5 ARG C . 53407 1 4 . 1 . 1 5 5 ARG CA C 13 56.081 0.019 . 1 . . 948 . . 5 ARG CA . 53407 1 5 . 1 . 1 5 5 ARG CB C 13 30.941 . . 1 . . 111 . . 5 ARG CB . 53407 1 6 . 1 . 1 5 5 ARG N N 15 121.676 0.014 . 1 . . 946 . . 5 ARG N . 53407 1 7 . 1 . 1 6 6 GLN H H 1 8.528 0.005 . 1 . . 949 . . 6 GLN H . 53407 1 8 . 1 . 1 6 6 GLN C C 13 175.850 0.008 . 1 . . 951 . . 6 GLN C . 53407 1 9 . 1 . 1 6 6 GLN CA C 13 55.847 0.007 . 1 . . 952 . . 6 GLN CA . 53407 1 10 . 1 . 1 6 6 GLN CB C 13 29.591 . . 1 . . 112 . . 6 GLN CB . 53407 1 11 . 1 . 1 6 6 GLN N N 15 122.449 0.019 . 1 . . 950 . . 6 GLN N . 53407 1 12 . 1 . 1 7 7 GLU H H 1 8.508 0.004 . 1 . . 953 . . 7 GLU H . 53407 1 13 . 1 . 1 7 7 GLU C C 13 176.069 0.007 . 1 . . 955 . . 7 GLU C . 53407 1 14 . 1 . 1 7 7 GLU CA C 13 56.849 0.001 . 1 . . 956 . . 7 GLU CA . 53407 1 15 . 1 . 1 7 7 GLU CB C 13 30.245 . . 1 . . 113 . . 7 GLU CB . 53407 1 16 . 1 . 1 7 7 GLU N N 15 122.358 0.024 . 1 . . 954 . . 7 GLU N . 53407 1 17 . 1 . 1 8 8 PHE H H 1 8.134 0.003 . 1 . . 957 . . 8 PHE H . 53407 1 18 . 1 . 1 8 8 PHE C C 13 175.513 0.019 . 1 . . 959 . . 8 PHE C . 53407 1 19 . 1 . 1 8 8 PHE CA C 13 57.435 0.012 . 1 . . 960 . . 8 PHE CA . 53407 1 20 . 1 . 1 8 8 PHE CB C 13 39.679 . . 1 . . 114 . . 8 PHE CB . 53407 1 21 . 1 . 1 8 8 PHE N N 15 119.708 0.034 . 1 . . 958 . . 8 PHE N . 53407 1 22 . 1 . 1 9 9 GLU H H 1 8.297 0.003 . 1 . . 961 . . 9 GLU H . 53407 1 23 . 1 . 1 9 9 GLU C C 13 176.068 0.018 . 1 . . 963 . . 9 GLU C . 53407 1 24 . 1 . 1 9 9 GLU CA C 13 56.535 0.015 . 1 . . 964 . . 9 GLU CA . 53407 1 25 . 1 . 1 9 9 GLU CB C 13 30.644 . . 1 . . 115 . . 9 GLU CB . 53407 1 26 . 1 . 1 9 9 GLU N N 15 122.450 0.012 . 1 . . 962 . . 9 GLU N . 53407 1 27 . 1 . 1 10 10 VAL H H 1 8.224 0.001 . 1 . . 965 . . 10 VAL H . 53407 1 28 . 1 . 1 10 10 VAL C C 13 176.152 0.016 . 1 . . 967 . . 10 VAL C . 53407 1 29 . 1 . 1 10 10 VAL CA C 13 62.380 0.021 . 1 . . 968 . . 10 VAL CA . 53407 1 30 . 1 . 1 10 10 VAL CB C 13 32.828 . . 1 . . 116 . . 10 VAL CB . 53407 1 31 . 1 . 1 10 10 VAL N N 15 121.813 0.031 . 1 . . 966 . . 10 VAL N . 53407 1 32 . 1 . 1 11 11 MET H H 1 8.501 0.002 . 1 . . 969 . . 11 MET H . 53407 1 33 . 1 . 1 11 11 MET C C 13 176.180 0.014 . 1 . . 971 . . 11 MET C . 53407 1 34 . 1 . 1 11 11 MET CA C 13 55.374 0.026 . 1 . . 972 . . 11 MET CA . 53407 1 35 . 1 . 1 11 11 MET CB C 13 32.918 . . 1 . . 117 . . 11 MET CB . 53407 1 36 . 1 . 1 11 11 MET N N 15 124.844 0.024 . 1 . . 970 . . 11 MET N . 53407 1 37 . 1 . 1 12 12 GLU H H 1 8.459 0.003 . 1 . . 973 . . 12 GLU H . 53407 1 38 . 1 . 1 12 12 GLU C C 13 175.973 0.01 . 1 . . 975 . . 12 GLU C . 53407 1 39 . 1 . 1 12 12 GLU CA C 13 56.667 0.012 . 1 . . 976 . . 12 GLU CA . 53407 1 40 . 1 . 1 12 12 GLU CB C 13 30.464 . . 1 . . 118 . . 12 GLU CB . 53407 1 41 . 1 . 1 12 12 GLU N N 15 122.650 0.014 . 1 . . 974 . . 12 GLU N . 53407 1 42 . 1 . 1 13 13 ASP H H 1 8.392 0.001 . 1 . . 977 . . 13 ASP H . 53407 1 43 . 1 . 1 13 13 ASP C C 13 176.222 0.001 . 1 . . 979 . . 13 ASP C . 53407 1 44 . 1 . 1 13 13 ASP CA C 13 54.277 0.022 . 1 . . 980 . . 13 ASP CA . 53407 1 45 . 1 . 1 13 13 ASP CB C 13 41.158 . . 1 . . 119 . . 13 ASP CB . 53407 1 46 . 1 . 1 13 13 ASP N N 15 121.493 0.011 . 1 . . 978 . . 13 ASP N . 53407 1 47 . 1 . 1 14 14 HIS C C 13 174.743 . . 1 . . 698 . . 14 HIS C . 53407 1 48 . 1 . 1 15 15 ALA H H 1 8.384 0.008 . 1 . . 981 . . 15 ALA H . 53407 1 49 . 1 . 1 15 15 ALA C C 13 178.424 0.008 . 1 . . 984 . . 15 ALA C . 53407 1 50 . 1 . 1 15 15 ALA CA C 13 53.071 0.006 . 1 . . 985 . . 15 ALA CA . 53407 1 51 . 1 . 1 15 15 ALA CB C 13 19.316 . . 1 . . 317 . . 15 ALA CB . 53407 1 52 . 1 . 1 15 15 ALA N N 15 124.610 0.003 . 1 . . 982 . . 15 ALA N . 53407 1 53 . 1 . 1 16 16 GLY H H 1 8.420 0.011 . 1 . . 986 . . 16 GLY H . 53407 1 54 . 1 . 1 16 16 GLY C C 13 174.515 0.01 . 1 . . 315 . . 16 GLY C . 53407 1 55 . 1 . 1 16 16 GLY CA C 13 45.493 0.021 . 1 . . 316 . . 16 GLY CA . 53407 1 56 . 1 . 1 16 16 GLY N N 15 108.035 0.087 . 1 . . 987 . . 16 GLY N . 53407 1 57 . 1 . 1 17 17 THR H H 1 8.003 0.006 . 1 . . 988 . . 17 THR H . 53407 1 58 . 1 . 1 17 17 THR C C 13 174.537 0.007 . 1 . . 990 . . 17 THR C . 53407 1 59 . 1 . 1 17 17 THR CA C 13 62.161 0.036 . 1 . . 991 . . 17 THR CA . 53407 1 60 . 1 . 1 17 17 THR CB C 13 69.792 . . 1 . . 318 . . 17 THR CB . 53407 1 61 . 1 . 1 17 17 THR N N 15 113.646 0.006 . 1 . . 989 . . 17 THR N . 53407 1 62 . 1 . 1 18 18 TYR H H 1 8.311 0.004 . 1 . . 992 . . 18 TYR H . 53407 1 63 . 1 . 1 18 18 TYR C C 13 176.416 0.007 . 1 . . 994 . . 18 TYR C . 53407 1 64 . 1 . 1 18 18 TYR CA C 13 58.292 0.027 . 1 . . 995 . . 18 TYR CA . 53407 1 65 . 1 . 1 18 18 TYR CB C 13 38.746 . . 1 . . 319 . . 18 TYR CB . 53407 1 66 . 1 . 1 18 18 TYR N N 15 122.650 0.02 . 1 . . 993 . . 18 TYR N . 53407 1 67 . 1 . 1 19 19 GLY H H 1 8.377 0.006 . 1 . . 996 . . 19 GLY H . 53407 1 68 . 1 . 1 19 19 GLY C C 13 174.268 0.003 . 1 . . 320 . . 19 GLY C . 53407 1 69 . 1 . 1 19 19 GLY CA C 13 45.390 0.01 . 1 . . 321 . . 19 GLY CA . 53407 1 70 . 1 . 1 19 19 GLY N N 15 110.792 0.035 . 1 . . 997 . . 19 GLY N . 53407 1 71 . 1 . 1 20 20 LEU H H 1 8.119 0.004 . 1 . . 998 . . 20 LEU H . 53407 1 72 . 1 . 1 20 20 LEU C C 13 178.205 0.029 . 1 . . 1000 . . 20 LEU C . 53407 1 73 . 1 . 1 20 20 LEU CA C 13 55.452 0.006 . 1 . . 1001 . . 20 LEU CA . 53407 1 74 . 1 . 1 20 20 LEU CB C 13 42.383 . . 1 . . 322 . . 20 LEU CB . 53407 1 75 . 1 . 1 20 20 LEU N N 15 121.447 0.004 . 1 . . 999 . . 20 LEU N . 53407 1 76 . 1 . 1 21 21 GLY H H 1 8.464 0.001 . 1 . . 1002 . . 21 GLY H . 53407 1 77 . 1 . 1 21 21 GLY C C 13 173.969 0.017 . 1 . . 323 . . 21 GLY C . 53407 1 78 . 1 . 1 21 21 GLY CA C 13 45.404 0.002 . 1 . . 324 . . 21 GLY CA . 53407 1 79 . 1 . 1 21 21 GLY N N 15 109.314 0.009 . 1 . . 1003 . . 21 GLY N . 53407 1 80 . 1 . 1 22 22 ASP H H 1 8.249 0.015 . 1 . . 1004 . . 22 ASP H . 53407 1 81 . 1 . 1 22 22 ASP C C 13 176.437 0.009 . 1 . . 1006 . . 22 ASP C . 53407 1 82 . 1 . 1 22 22 ASP CA C 13 54.356 0.01 . 1 . . 1007 . . 22 ASP CA . 53407 1 83 . 1 . 1 22 22 ASP CB C 13 41.308 . . 1 . . 325 . . 22 ASP CB . 53407 1 84 . 1 . 1 22 22 ASP N N 15 120.527 0.009 . 1 . . 1005 . . 22 ASP N . 53407 1 85 . 1 . 1 23 23 ARG H H 1 8.301 0.003 . 1 . . 1008 . . 23 ARG H . 53407 1 86 . 1 . 1 23 23 ARG C C 13 176.651 0.02 . 1 . . 1010 . . 23 ARG C . 53407 1 87 . 1 . 1 23 23 ARG CA C 13 56.275 0.027 . 1 . . 1011 . . 23 ARG CA . 53407 1 88 . 1 . 1 23 23 ARG CB C 13 30.582 . . 1 . . 326 . . 23 ARG CB . 53407 1 89 . 1 . 1 23 23 ARG N N 15 121.144 0.005 . 1 . . 1009 . . 23 ARG N . 53407 1 90 . 1 . 1 24 24 LYS H H 1 8.426 0.003 . 1 . . 1823 . . 24 LYS H . 53407 1 91 . 1 . 1 24 24 LYS C C 13 176.540 0.006 . 1 . . 327 . . 24 LYS C . 53407 1 92 . 1 . 1 24 24 LYS CA C 13 56.512 . . 1 . . 329 . . 24 LYS CA . 53407 1 93 . 1 . 1 24 24 LYS CB C 13 32.820 . . 1 . . 328 . . 24 LYS CB . 53407 1 94 . 1 . 1 24 24 LYS N N 15 122.174 0.016 . 1 . . 1824 . . 24 LYS N . 53407 1 95 . 1 . 1 25 25 ASP H H 1 8.388 0.002 . 1 . . 1012 . . 25 ASP H . 53407 1 96 . 1 . 1 25 25 ASP C C 13 176.405 0.002 . 1 . . 1014 . . 25 ASP C . 53407 1 97 . 1 . 1 25 25 ASP CA C 13 54.416 0.006 . 1 . . 1015 . . 25 ASP CA . 53407 1 98 . 1 . 1 25 25 ASP CB C 13 41.142 . . 1 . . 330 . . 25 ASP CB . 53407 1 99 . 1 . 1 25 25 ASP N N 15 120.582 0.007 . 1 . . 1013 . . 25 ASP N . 53407 1 100 . 1 . 1 26 26 GLN H H 1 8.340 0.002 . 1 . . 1016 . . 26 GLN H . 53407 1 101 . 1 . 1 26 26 GLN C C 13 176.688 0.018 . 1 . . 1018 . . 26 GLN C . 53407 1 102 . 1 . 1 26 26 GLN CA C 13 56.101 0.042 . 1 . . 1019 . . 26 GLN CA . 53407 1 103 . 1 . 1 26 26 GLN CB C 13 29.324 . . 1 . . 331 . . 26 GLN CB . 53407 1 104 . 1 . 1 26 26 GLN N N 15 120.429 0.002 . 1 . . 1017 . . 26 GLN N . 53407 1 105 . 1 . 1 27 27 GLY H H 1 8.482 0.001 . 1 . . 1020 . . 27 GLY H . 53407 1 106 . 1 . 1 27 27 GLY C C 13 174.667 0.009 . 1 . . 332 . . 27 GLY C . 53407 1 107 . 1 . 1 27 27 GLY CA C 13 45.585 0.002 . 1 . . 333 . . 27 GLY CA . 53407 1 108 . 1 . 1 27 27 GLY N N 15 109.502 0.012 . 1 . . 1021 . . 27 GLY N . 53407 1 109 . 1 . 1 28 28 GLY H H 1 8.264 0.002 . 1 . . 1022 . . 28 GLY H . 53407 1 110 . 1 . 1 28 28 GLY C C 13 173.954 0.02 . 1 . . 334 . . 28 GLY C . 53407 1 111 . 1 . 1 28 28 GLY CA C 13 45.300 0.016 . 1 . . 335 . . 28 GLY CA . 53407 1 112 . 1 . 1 28 28 GLY N N 15 108.689 0.014 . 1 . . 1023 . . 28 GLY N . 53407 1 113 . 1 . 1 29 29 TYR H H 1 8.108 0.002 . 1 . . 1024 . . 29 TYR H . 53407 1 114 . 1 . 1 29 29 TYR C C 13 176.074 0.019 . 1 . . 1026 . . 29 TYR C . 53407 1 115 . 1 . 1 29 29 TYR CA C 13 58.067 0.017 . 1 . . 1027 . . 29 TYR CA . 53407 1 116 . 1 . 1 29 29 TYR CB C 13 38.888 . . 1 . . 336 . . 29 TYR CB . 53407 1 117 . 1 . 1 29 29 TYR N N 15 120.269 0.02 . 1 . . 1025 . . 29 TYR N . 53407 1 118 . 1 . 1 30 30 THR H H 1 8.125 0.002 . 1 . . 1028 . . 30 THR H . 53407 1 119 . 1 . 1 30 30 THR C C 13 174.040 0.005 . 1 . . 1030 . . 30 THR C . 53407 1 120 . 1 . 1 30 30 THR CA C 13 61.863 0.016 . 1 . . 1031 . . 30 THR CA . 53407 1 121 . 1 . 1 30 30 THR CB C 13 69.912 . . 1 . . 337 . . 30 THR CB . 53407 1 122 . 1 . 1 30 30 THR N N 15 116.795 0.026 . 1 . . 1029 . . 30 THR N . 53407 1 123 . 1 . 1 31 31 MET H H 1 8.306 0.002 . 1 . . 1032 . . 31 MET H . 53407 1 124 . 1 . 1 31 31 MET C C 13 175.870 0.019 . 1 . . 1034 . . 31 MET C . 53407 1 125 . 1 . 1 31 31 MET CA C 13 55.641 0.023 . 1 . . 1035 . . 31 MET CA . 53407 1 126 . 1 . 1 31 31 MET CB C 13 32.921 . . 1 . . 338 . . 31 MET CB . 53407 1 127 . 1 . 1 31 31 MET N N 15 122.867 0.018 . 1 . . 1033 . . 31 MET N . 53407 1 128 . 1 . 1 32 32 HIS H H 1 8.486 0.006 . 1 . . 20 . . 32 HIS H . 53407 1 129 . 1 . 1 32 32 HIS C C 13 174.716 0.018 . 1 . . 339 . . 32 HIS C . 53407 1 130 . 1 . 1 32 32 HIS CA C 13 55.804 . . 1 . . 340 . . 32 HIS CA . 53407 1 131 . 1 . 1 32 32 HIS N N 15 120.439 0.004 . 1 . . 21 . . 32 HIS N . 53407 1 132 . 1 . 1 33 33 GLN H H 1 8.419 0.028 . 1 . . 12 . . 33 GLN H . 53407 1 133 . 1 . 1 33 33 GLN C C 13 175.566 0.003 . 1 . . 342 . . 33 GLN C . 53407 1 134 . 1 . 1 33 33 GLN CA C 13 56.056 . . 1 . . 343 . . 33 GLN CA . 53407 1 135 . 1 . 1 33 33 GLN CB C 13 30.089 . . 1 . . 344 . . 33 GLN CB . 53407 1 136 . 1 . 1 33 33 GLN N N 15 122.238 0.03 . 1 . . 13 . . 33 GLN N . 53407 1 137 . 1 . 1 34 34 ASP H H 1 8.581 0.002 . 1 . . 1036 . . 34 ASP H . 53407 1 138 . 1 . 1 34 34 ASP C C 13 176.235 0.004 . 1 . . 1038 . . 34 ASP C . 53407 1 139 . 1 . 1 34 34 ASP CA C 13 54.710 0.011 . 1 . . 1039 . . 34 ASP CA . 53407 1 140 . 1 . 1 34 34 ASP CB C 13 41.116 . . 1 . . 345 . . 34 ASP CB . 53407 1 141 . 1 . 1 34 34 ASP N N 15 121.923 0.008 . 1 . . 1037 . . 34 ASP N . 53407 1 142 . 1 . 1 35 35 GLN H H 1 8.386 0.002 . 1 . . 1040 . . 35 GLN H . 53407 1 143 . 1 . 1 35 35 GLN C C 13 176.063 0.009 . 1 . . 1042 . . 35 GLN C . 53407 1 144 . 1 . 1 35 35 GLN CA C 13 55.835 0.015 . 1 . . 1043 . . 35 GLN CA . 53407 1 145 . 1 . 1 35 35 GLN CB C 13 29.643 0.001 . 1 . . 341 . . 35 GLN CB . 53407 1 146 . 1 . 1 35 35 GLN N N 15 120.264 0.005 . 1 . . 1041 . . 35 GLN N . 53407 1 147 . 1 . 1 36 36 GLU H H 1 8.508 0.003 . 1 . . 1044 . . 36 GLU H . 53407 1 148 . 1 . 1 36 36 GLU C C 13 177.048 0.009 . 1 . . 1046 . . 36 GLU C . 53407 1 149 . 1 . 1 36 36 GLU CA C 13 56.937 0.032 . 1 . . 1047 . . 36 GLU CA . 53407 1 150 . 1 . 1 36 36 GLU CB C 13 30.236 . . 1 . . 346 . . 36 GLU CB . 53407 1 151 . 1 . 1 36 36 GLU N N 15 122.237 0.008 . 1 . . 1045 . . 36 GLU N . 53407 1 152 . 1 . 1 37 37 GLY H H 1 8.439 0.0 . 1 . . 1048 . . 37 GLY H . 53407 1 153 . 1 . 1 37 37 GLY C C 13 173.859 0.016 . 1 . . 347 . . 37 GLY C . 53407 1 154 . 1 . 1 37 37 GLY CA C 13 45.263 0.019 . 1 . . 348 . . 37 GLY CA . 53407 1 155 . 1 . 1 37 37 GLY N N 15 109.962 0.016 . 1 . . 1049 . . 37 GLY N . 53407 1 156 . 1 . 1 38 38 ASP H H 1 8.307 0.003 . 1 . . 1050 . . 38 ASP H . 53407 1 157 . 1 . 1 38 38 ASP C C 13 176.881 0.01 . 1 . . 1052 . . 38 ASP C . 53407 1 158 . 1 . 1 38 38 ASP CA C 13 54.379 0.014 . 1 . . 1053 . . 38 ASP CA . 53407 1 159 . 1 . 1 38 38 ASP CB C 13 41.272 . . 1 . . 349 . . 38 ASP CB . 53407 1 160 . 1 . 1 38 38 ASP N N 15 120.738 0.005 . 1 . . 1051 . . 38 ASP N . 53407 1 161 . 1 . 1 39 39 THR H H 1 8.235 0.001 . 1 . . 1054 . . 39 THR H . 53407 1 162 . 1 . 1 39 39 THR C C 13 174.637 0.012 . 1 . . 1056 . . 39 THR C . 53407 1 163 . 1 . 1 39 39 THR CA C 13 62.247 0.032 . 1 . . 1057 . . 39 THR CA . 53407 1 164 . 1 . 1 39 39 THR CB C 13 69.871 . . 1 . . 351 . . 39 THR CB . 53407 1 165 . 1 . 1 39 39 THR N N 15 114.666 0.013 . 1 . . 1055 . . 39 THR N . 53407 1 166 . 1 . 1 40 40 ASP H H 1 8.431 0.001 . 1 . . 1058 . . 40 ASP H . 53407 1 167 . 1 . 1 40 40 ASP C C 13 176.374 0.004 . 1 . . 1060 . . 40 ASP C . 53407 1 168 . 1 . 1 40 40 ASP CA C 13 54.605 0.022 . 1 . . 1061 . . 40 ASP CA . 53407 1 169 . 1 . 1 40 40 ASP CB C 13 41.191 . . 1 . . 352 . . 40 ASP CB . 53407 1 170 . 1 . 1 40 40 ASP N N 15 122.871 0.007 . 1 . . 1059 . . 40 ASP N . 53407 1 171 . 1 . 1 41 41 ALA H H 1 8.280 0.001 . 1 . . 1062 . . 41 ALA H . 53407 1 172 . 1 . 1 41 41 ALA C C 13 178.560 0.015 . 1 . . 1064 . . 41 ALA C . 53407 1 173 . 1 . 1 41 41 ALA CA C 13 53.226 0.003 . 1 . . 1065 . . 41 ALA CA . 53407 1 174 . 1 . 1 41 41 ALA CB C 13 19.087 . . 1 . . 353 . . 41 ALA CB . 53407 1 175 . 1 . 1 41 41 ALA N N 15 124.973 0.011 . 1 . . 1063 . . 41 ALA N . 53407 1 176 . 1 . 1 42 42 GLY H H 1 8.426 0.001 . 1 . . 1066 . . 42 GLY H . 53407 1 177 . 1 . 1 42 42 GLY C C 13 174.376 0.002 . 1 . . 354 . . 42 GLY C . 53407 1 178 . 1 . 1 42 42 GLY CA C 13 45.478 0.005 . 1 . . 355 . . 42 GLY CA . 53407 1 179 . 1 . 1 42 42 GLY N N 15 107.442 0.016 . 1 . . 1067 . . 42 GLY N . 53407 1 180 . 1 . 1 43 43 LEU H H 1 7.980 0.002 . 1 . . 1068 . . 43 LEU H . 53407 1 181 . 1 . 1 43 43 LEU C C 13 177.545 0.017 . 1 . . 1070 . . 43 LEU C . 53407 1 182 . 1 . 1 43 43 LEU CA C 13 55.275 0.021 . 1 . . 1071 . . 43 LEU CA . 53407 1 183 . 1 . 1 43 43 LEU CB C 13 42.347 . . 1 . . 356 . . 43 LEU CB . 53407 1 184 . 1 . 1 43 43 LEU N N 15 121.382 0.01 . 1 . . 1069 . . 43 LEU N . 53407 1 185 . 1 . 1 44 44 LYS H H 1 8.269 0.002 . 1 . . 1072 . . 44 LYS H . 53407 1 186 . 1 . 1 44 44 LYS C C 13 176.457 0.02 . 1 . . 1074 . . 44 LYS C . 53407 1 187 . 1 . 1 44 44 LYS CA C 13 56.265 0.009 . 1 . . 1075 . . 44 LYS CA . 53407 1 188 . 1 . 1 44 44 LYS CB C 13 33.065 . . 1 . . 357 . . 44 LYS CB . 53407 1 189 . 1 . 1 44 44 LYS N N 15 122.217 0.007 . 1 . . 1073 . . 44 LYS N . 53407 1 190 . 1 . 1 45 45 GLU H H 1 8.324 0.0 . 1 . . 1076 . . 45 GLU H . 53407 1 191 . 1 . 1 45 45 GLU C C 13 175.755 0.009 . 1 . . 1078 . . 45 GLU C . 53407 1 192 . 1 . 1 45 45 GLU CA C 13 56.191 0.021 . 1 . . 1079 . . 45 GLU CA . 53407 1 193 . 1 . 1 45 45 GLU CB C 13 30.511 . . 1 . . 358 . . 45 GLU CB . 53407 1 194 . 1 . 1 45 45 GLU N N 15 121.930 0.008 . 1 . . 1077 . . 45 GLU N . 53407 1 195 . 1 . 1 46 46 ALA H H 1 8.368 0.003 . 1 . . 1080 . . 46 ALA H . 53407 1 196 . 1 . 1 46 46 ALA C C 13 175.417 0.022 . 1 . . 1082 . . 46 ALA C . 53407 1 197 . 1 . 1 46 46 ALA CA C 13 50.577 0.024 . 1 . . 1083 . . 46 ALA CA . 53407 1 198 . 1 . 1 46 46 ALA CB C 13 18.207 . . 1 . . 359 . . 46 ALA CB . 53407 1 199 . 1 . 1 46 46 ALA N N 15 126.970 0.017 . 1 . . 1081 . . 46 ALA N . 53407 1 200 . 1 . 1 47 47 PRO C C 13 176.888 . . 1 . . 636 . . 47 PRO C . 53407 1 201 . 1 . 1 47 47 PRO N N 15 135.393 . . 1 . . 635 . . 47 PRO N . 53407 1 202 . 1 . 1 48 48 LEU H H 1 8.363 0.002 . 1 . . 1084 . . 48 LEU H . 53407 1 203 . 1 . 1 48 48 LEU C C 13 177.413 0.027 . 1 . . 1086 . . 48 LEU C . 53407 1 204 . 1 . 1 48 48 LEU CA C 13 55.315 0.01 . 1 . . 1087 . . 48 LEU CA . 53407 1 205 . 1 . 1 48 48 LEU CB C 13 42.307 . . 1 . . 567 . . 48 LEU CB . 53407 1 206 . 1 . 1 48 48 LEU N N 15 122.571 0.011 . 1 . . 1085 . . 48 LEU N . 53407 1 207 . 1 . 1 49 49 GLN H H 1 8.366 0.002 . 1 . . 1088 . . 49 GLN H . 53407 1 208 . 1 . 1 49 49 GLN C C 13 175.128 0.012 . 1 . . 1090 . . 49 GLN C . 53407 1 209 . 1 . 1 49 49 GLN CA C 13 55.278 0.018 . 1 . . 1091 . . 49 GLN CA . 53407 1 210 . 1 . 1 49 49 GLN CB C 13 29.862 . . 1 . . 566 . . 49 GLN CB . 53407 1 211 . 1 . 1 49 49 GLN N N 15 121.677 0.023 . 1 . . 1089 . . 49 GLN N . 53407 1 212 . 1 . 1 50 50 ALA H H 1 8.439 0.003 . 1 . . 1092 . . 50 ALA H . 53407 1 213 . 1 . 1 50 50 ALA C C 13 175.539 0.009 . 1 . . 1094 . . 50 ALA C . 53407 1 214 . 1 . 1 50 50 ALA CA C 13 50.549 0.009 . 1 . . 1095 . . 50 ALA CA . 53407 1 215 . 1 . 1 50 50 ALA CB C 13 18.146 . . 1 . . 516 . . 50 ALA CB . 53407 1 216 . 1 . 1 50 50 ALA N N 15 127.598 0.018 . 1 . . 1093 . . 50 ALA N . 53407 1 217 . 1 . 1 51 51 PRO C C 13 177.156 . . 1 . . 641 . . 51 PRO C . 53407 1 218 . 1 . 1 51 51 PRO N N 15 135.673 . . 1 . . 640 . . 51 PRO N . 53407 1 219 . 1 . 1 52 52 THR H H 1 8.301 0.002 . 1 . . 1096 . . 52 THR H . 53407 1 220 . 1 . 1 52 52 THR C C 13 174.761 0.019 . 1 . . 1098 . . 52 THR C . 53407 1 221 . 1 . 1 52 52 THR CA C 13 61.809 0.01 . 1 . . 1099 . . 52 THR CA . 53407 1 222 . 1 . 1 52 52 THR CB C 13 70.007 . . 1 . . 360 . . 52 THR CB . 53407 1 223 . 1 . 1 52 52 THR N N 15 114.548 0.022 . 1 . . 1097 . . 52 THR N . 53407 1 224 . 1 . 1 53 53 GLU H H 1 8.528 0.003 . 1 . . 1100 . . 53 GLU H . 53407 1 225 . 1 . 1 53 53 GLU C C 13 176.281 0.012 . 1 . . 1102 . . 53 GLU C . 53407 1 226 . 1 . 1 53 53 GLU CA C 13 56.481 0.011 . 1 . . 1103 . . 53 GLU CA . 53407 1 227 . 1 . 1 53 53 GLU CB C 13 30.303 . . 1 . . 361 . . 53 GLU CB . 53407 1 228 . 1 . 1 53 53 GLU N N 15 123.282 0.008 . 1 . . 1101 . . 53 GLU N . 53407 1 229 . 1 . 1 54 54 ASP H H 1 8.466 0.001 . 1 . . 1104 . . 54 ASP H . 53407 1 230 . 1 . 1 54 54 ASP C C 13 176.978 0.014 . 1 . . 1106 . . 54 ASP C . 53407 1 231 . 1 . 1 54 54 ASP CA C 13 54.466 0.018 . 1 . . 1107 . . 54 ASP CA . 53407 1 232 . 1 . 1 54 54 ASP CB C 13 41.284 . . 1 . . 362 . . 54 ASP CB . 53407 1 233 . 1 . 1 54 54 ASP N N 15 121.811 0.008 . 1 . . 1105 . . 54 ASP N . 53407 1 234 . 1 . 1 55 55 GLY H H 1 8.495 0.001 . 1 . . 1108 . . 55 GLY H . 53407 1 235 . 1 . 1 55 55 GLY C C 13 174.565 0.007 . 1 . . 363 . . 55 GLY C . 53407 1 236 . 1 . 1 55 55 GLY CA C 13 45.580 0.006 . 1 . . 364 . . 55 GLY CA . 53407 1 237 . 1 . 1 55 55 GLY N N 15 110.239 0.015 . 1 . . 1109 . . 55 GLY N . 53407 1 238 . 1 . 1 56 56 SER H H 1 8.259 0.001 . 1 . . 1111 . . 56 SER H . 53407 1 239 . 1 . 1 56 56 SER C C 13 174.568 0.011 . 1 . . 1112 . . 56 SER C . 53407 1 240 . 1 . 1 56 56 SER CA C 13 58.659 0.003 . 1 . . 1113 . . 56 SER CA . 53407 1 241 . 1 . 1 56 56 SER CB C 13 63.953 . . 1 . . 365 . . 56 SER CB . 53407 1 242 . 1 . 1 56 56 SER N N 15 115.915 0.005 . 1 . . 1110 . . 56 SER N . 53407 1 243 . 1 . 1 57 57 GLU H H 1 8.558 0.002 . 1 . . 1114 . . 57 GLU H . 53407 1 244 . 1 . 1 57 57 GLU C C 13 176.275 0.01 . 1 . . 1116 . . 57 GLU C . 53407 1 245 . 1 . 1 57 57 GLU CA C 13 56.334 0.024 . 1 . . 1117 . . 57 GLU CA . 53407 1 246 . 1 . 1 57 57 GLU CB C 13 30.362 . . 1 . . 366 . . 57 GLU CB . 53407 1 247 . 1 . 1 57 57 GLU N N 15 122.589 0.007 . 1 . . 1115 . . 57 GLU N . 53407 1 248 . 1 . 1 58 58 GLU H H 1 8.469 0.002 . 1 . . 1118 . . 58 GLU H . 53407 1 249 . 1 . 1 58 58 GLU C C 13 174.679 0.008 . 1 . . 1120 . . 58 GLU C . 53407 1 250 . 1 . 1 58 58 GLU CA C 13 54.317 0.017 . 1 . . 1121 . . 58 GLU CA . 53407 1 251 . 1 . 1 58 58 GLU CB C 13 29.802 . . 1 . . 367 . . 58 GLU CB . 53407 1 252 . 1 . 1 58 58 GLU N N 15 123.661 0.02 . 1 . . 1119 . . 58 GLU N . 53407 1 253 . 1 . 1 59 59 PRO C C 13 177.719 . . 1 . . 651 . . 59 PRO C . 53407 1 254 . 1 . 1 59 59 PRO N N 15 138.073 . . 1 . . 699 . . 59 PRO N . 53407 1 255 . 1 . 1 60 60 GLY H H 1 8.649 0.001 . 1 . . 1804 . . 60 GLY H . 53407 1 256 . 1 . 1 60 60 GLY C C 13 174.472 0.012 . 1 . . 309 . . 60 GLY C . 53407 1 257 . 1 . 1 60 60 GLY CA C 13 45.302 0.009 . 1 . . 310 . . 60 GLY CA . 53407 1 258 . 1 . 1 60 60 GLY N N 15 110.039 0.006 . 1 . . 1805 . . 60 GLY N . 53407 1 259 . 1 . 1 61 61 SER H H 1 8.251 0.002 . 1 . . 1122 . . 61 SER H . 53407 1 260 . 1 . 1 61 61 SER C C 13 174.829 0.003 . 1 . . 1124 . . 61 SER C . 53407 1 261 . 1 . 1 61 61 SER CA C 13 58.573 0.019 . 1 . . 1125 . . 61 SER CA . 53407 1 262 . 1 . 1 61 61 SER CB C 13 64.032 . . 1 . . 308 . . 61 SER CB . 53407 1 263 . 1 . 1 61 61 SER N N 15 115.716 0.006 . 1 . . 1123 . . 61 SER N . 53407 1 264 . 1 . 1 62 62 GLU H H 1 8.733 0.002 . 1 . . 1126 . . 62 GLU H . 53407 1 265 . 1 . 1 62 62 GLU C C 13 176.912 0.012 . 1 . . 1128 . . 62 GLU C . 53407 1 266 . 1 . 1 62 62 GLU CA C 13 56.927 0.009 . 1 . . 1129 . . 62 GLU CA . 53407 1 267 . 1 . 1 62 62 GLU CB C 13 30.071 . . 1 . . 307 . . 62 GLU CB . 53407 1 268 . 1 . 1 62 62 GLU N N 15 122.952 0.007 . 1 . . 1127 . . 62 GLU N . 53407 1 269 . 1 . 1 63 63 THR H H 1 8.253 0.003 . 1 . . 1130 . . 63 THR H . 53407 1 270 . 1 . 1 63 63 THR C C 13 174.796 0.022 . 1 . . 1132 . . 63 THR C . 53407 1 271 . 1 . 1 63 63 THR CA C 13 61.816 0.012 . 1 . . 1133 . . 63 THR CA . 53407 1 272 . 1 . 1 63 63 THR CB C 13 69.882 . . 1 . . 306 . . 63 THR CB . 53407 1 273 . 1 . 1 63 63 THR N N 15 114.837 0.009 . 1 . . 1131 . . 63 THR N . 53407 1 274 . 1 . 1 64 64 SER H H 1 8.376 0.002 . 1 . . 1134 . . 64 SER H . 53407 1 275 . 1 . 1 64 64 SER C C 13 174.465 0.021 . 1 . . 1136 . . 64 SER C . 53407 1 276 . 1 . 1 64 64 SER CA C 13 58.540 0.031 . 1 . . 1137 . . 64 SER CA . 53407 1 277 . 1 . 1 64 64 SER CB C 13 63.860 . . 1 . . 305 . . 64 SER CB . 53407 1 278 . 1 . 1 64 64 SER N N 15 118.171 0.011 . 1 . . 1135 . . 64 SER N . 53407 1 279 . 1 . 1 65 65 ASP H H 1 8.413 0.001 . 1 . . 1138 . . 65 ASP H . 53407 1 280 . 1 . 1 65 65 ASP C C 13 176.185 0.017 . 1 . . 1140 . . 65 ASP C . 53407 1 281 . 1 . 1 65 65 ASP CA C 13 54.421 0.005 . 1 . . 1141 . . 65 ASP CA . 53407 1 282 . 1 . 1 65 65 ASP CB C 13 41.159 . . 1 . . 304 . . 65 ASP CB . 53407 1 283 . 1 . 1 65 65 ASP N N 15 122.745 0.008 . 1 . . 1139 . . 65 ASP N . 53407 1 284 . 1 . 1 66 66 ALA H H 1 8.217 0.001 . 1 . . 1142 . . 66 ALA H . 53407 1 285 . 1 . 1 66 66 ALA C C 13 178.036 0.011 . 1 . . 1144 . . 66 ALA C . 53407 1 286 . 1 . 1 66 66 ALA CA C 13 52.923 0.021 . 1 . . 1145 . . 66 ALA CA . 53407 1 287 . 1 . 1 66 66 ALA CB C 13 19.106 . . 1 . . 311 . . 66 ALA CB . 53407 1 288 . 1 . 1 66 66 ALA N N 15 124.355 0.007 . 1 . . 1143 . . 66 ALA N . 53407 1 289 . 1 . 1 67 67 LYS H H 1 8.286 0.001 . 1 . . 1146 . . 67 LYS H . 53407 1 290 . 1 . 1 67 67 LYS C C 13 176.808 0.013 . 1 . . 1148 . . 67 LYS C . 53407 1 291 . 1 . 1 67 67 LYS CA C 13 56.338 0.014 . 1 . . 1149 . . 67 LYS CA . 53407 1 292 . 1 . 1 67 67 LYS CB C 13 32.891 . . 1 . . 312 . . 67 LYS CB . 53407 1 293 . 1 . 1 67 67 LYS N N 15 120.097 0.008 . 1 . . 1147 . . 67 LYS N . 53407 1 294 . 1 . 1 68 68 SER H H 1 8.229 0.002 . 1 . . 1150 . . 68 SER H . 53407 1 295 . 1 . 1 68 68 SER C C 13 173.771 0.041 . 1 . . 1152 . . 68 SER C . 53407 1 296 . 1 . 1 68 68 SER CA C 13 58.169 0.027 . 1 . . 1153 . . 68 SER CA . 53407 1 297 . 1 . 1 68 68 SER CB C 13 63.940 . . 1 . . 313 . . 68 SER CB . 53407 1 298 . 1 . 1 68 68 SER N N 15 116.864 0.01 . 1 . . 1151 . . 68 SER N . 53407 1 299 . 1 . 1 69 69 ALA H H 1 8.294 0.001 . 1 . . 1154 . . 69 ALA H . 53407 1 300 . 1 . 1 69 69 ALA C C 13 175.489 0.019 . 1 . . 1156 . . 69 ALA C . 53407 1 301 . 1 . 1 69 69 ALA CA C 13 50.652 0.02 . 1 . . 1157 . . 69 ALA CA . 53407 1 302 . 1 . 1 69 69 ALA CB C 13 18.279 . . 1 . . 314 . . 69 ALA CB . 53407 1 303 . 1 . 1 69 69 ALA N N 15 127.124 0.008 . 1 . . 1155 . . 69 ALA N . 53407 1 304 . 1 . 1 70 70 PRO C C 13 177.204 . . 1 . . 701 . . 70 PRO C . 53407 1 305 . 1 . 1 70 70 PRO N N 15 135.836 . . 1 . . 700 . . 70 PRO N . 53407 1 306 . 1 . 1 71 71 THR H H 1 8.338 0.002 . 1 . . 1158 . . 71 THR H . 53407 1 307 . 1 . 1 71 71 THR C C 13 174.494 0.013 . 1 . . 1160 . . 71 THR C . 53407 1 308 . 1 . 1 71 71 THR CA C 13 61.656 0.022 . 1 . . 1161 . . 71 THR CA . 53407 1 309 . 1 . 1 71 71 THR CB C 13 70.149 . . 1 . . 374 . . 71 THR CB . 53407 1 310 . 1 . 1 71 71 THR N N 15 114.693 0.026 . 1 . . 1159 . . 71 THR N . 53407 1 311 . 1 . 1 72 72 ALA H H 1 8.420 0.003 . 1 . . 1162 . . 72 ALA H . 53407 1 312 . 1 . 1 72 72 ALA C C 13 177.746 0.023 . 1 . . 1164 . . 72 ALA C . 53407 1 313 . 1 . 1 72 72 ALA CA C 13 52.654 0.013 . 1 . . 1165 . . 72 ALA CA . 53407 1 314 . 1 . 1 72 72 ALA CB C 13 19.356 . . 1 . . 373 . . 72 ALA CB . 53407 1 315 . 1 . 1 72 72 ALA N N 15 126.466 0.009 . 1 . . 1163 . . 72 ALA N . 53407 1 316 . 1 . 1 73 73 GLU H H 1 8.401 0.002 . 1 . . 1166 . . 73 GLU H . 53407 1 317 . 1 . 1 73 73 GLU C C 13 176.241 0.019 . 1 . . 1168 . . 73 GLU C . 53407 1 318 . 1 . 1 73 73 GLU CA C 13 56.660 0.014 . 1 . . 1169 . . 73 GLU CA . 53407 1 319 . 1 . 1 73 73 GLU CB C 13 30.366 . . 1 . . 372 . . 73 GLU CB . 53407 1 320 . 1 . 1 73 73 GLU N N 15 120.059 0.011 . 1 . . 1167 . . 73 GLU N . 53407 1 321 . 1 . 1 74 74 ASP H H 1 8.366 0.001 . 1 . . 1170 . . 74 ASP H . 53407 1 322 . 1 . 1 74 74 ASP C C 13 176.388 0.017 . 1 . . 1172 . . 74 ASP C . 53407 1 323 . 1 . 1 74 74 ASP CA C 13 54.340 0.014 . 1 . . 1173 . . 74 ASP CA . 53407 1 324 . 1 . 1 74 74 ASP CB C 13 41.103 . . 1 . . 371 . . 74 ASP CB . 53407 1 325 . 1 . 1 74 74 ASP N N 15 121.549 0.012 . 1 . . 1171 . . 74 ASP N . 53407 1 326 . 1 . 1 75 75 VAL H H 1 8.125 0.002 . 1 . . 1174 . . 75 VAL H . 53407 1 327 . 1 . 1 75 75 VAL C C 13 176.435 0.022 . 1 . . 1176 . . 75 VAL C . 53407 1 328 . 1 . 1 75 75 VAL CA C 13 62.293 0.007 . 1 . . 1177 . . 75 VAL CA . 53407 1 329 . 1 . 1 75 75 VAL CB C 13 32.658 . . 1 . . 370 . . 75 VAL CB . 53407 1 330 . 1 . 1 75 75 VAL N N 15 120.303 0.013 . 1 . . 1175 . . 75 VAL N . 53407 1 331 . 1 . 1 76 76 THR H H 1 8.292 0.001 . 1 . . 1178 . . 76 THR H . 53407 1 332 . 1 . 1 76 76 THR C C 13 173.942 0.014 . 1 . . 1180 . . 76 THR C . 53407 1 333 . 1 . 1 76 76 THR CA C 13 61.981 0.02 . 1 . . 1181 . . 76 THR CA . 53407 1 334 . 1 . 1 76 76 THR CB C 13 69.770 . . 1 . . 369 . . 76 THR CB . 53407 1 335 . 1 . 1 76 76 THR N N 15 118.265 0.042 . 1 . . 1179 . . 76 THR N . 53407 1 336 . 1 . 1 77 77 ALA H H 1 8.266 0.002 . 1 . . 1182 . . 77 ALA H . 53407 1 337 . 1 . 1 77 77 ALA C C 13 175.296 0.009 . 1 . . 1184 . . 77 ALA C . 53407 1 338 . 1 . 1 77 77 ALA CA C 13 50.665 0.008 . 1 . . 1185 . . 77 ALA CA . 53407 1 339 . 1 . 1 77 77 ALA CB C 13 18.177 . . 1 . . 368 . . 77 ALA CB . 53407 1 340 . 1 . 1 77 77 ALA N N 15 128.462 0.018 . 1 . . 1183 . . 77 ALA N . 53407 1 341 . 1 . 1 78 78 PRO C C 13 176.742 . . 1 . . 703 . . 78 PRO C . 53407 1 342 . 1 . 1 78 78 PRO N N 15 135.425 . . 1 . . 702 . . 78 PRO N . 53407 1 343 . 1 . 1 79 79 LEU H H 1 8.381 0.002 . 1 . . 1186 . . 79 LEU H . 53407 1 344 . 1 . 1 79 79 LEU C C 13 177.478 0.016 . 1 . . 1188 . . 79 LEU C . 53407 1 345 . 1 . 1 79 79 LEU CA C 13 55.215 0.022 . 1 . . 1189 . . 79 LEU CA . 53407 1 346 . 1 . 1 79 79 LEU CB C 13 42.240 . . 1 . . 379 . . 79 LEU CB . 53407 1 347 . 1 . 1 79 79 LEU N N 15 122.776 0.007 . 1 . . 1187 . . 79 LEU N . 53407 1 348 . 1 . 1 80 80 VAL H H 1 8.171 0.003 . 1 . . 1190 . . 80 VAL H . 53407 1 349 . 1 . 1 80 80 VAL C C 13 175.584 0.022 . 1 . . 1192 . . 80 VAL C . 53407 1 350 . 1 . 1 80 80 VAL CA C 13 62.059 0.039 . 1 . . 1193 . . 80 VAL CA . 53407 1 351 . 1 . 1 80 80 VAL CB C 13 33.129 . . 1 . . 378 . . 80 VAL CB . 53407 1 352 . 1 . 1 80 80 VAL N N 15 121.459 0.008 . 1 . . 1191 . . 80 VAL N . 53407 1 353 . 1 . 1 81 81 ASP H H 1 8.453 0.001 . 1 . . 1194 . . 81 ASP H . 53407 1 354 . 1 . 1 81 81 ASP C C 13 176.357 0.009 . 1 . . 1196 . . 81 ASP C . 53407 1 355 . 1 . 1 81 81 ASP CA C 13 54.055 0.017 . 1 . . 1197 . . 81 ASP CA . 53407 1 356 . 1 . 1 81 81 ASP CB C 13 41.275 . . 1 . . 377 . . 81 ASP CB . 53407 1 357 . 1 . 1 81 81 ASP N N 15 124.607 0.019 . 1 . . 1195 . . 81 ASP N . 53407 1 358 . 1 . 1 82 82 GLU H H 1 8.547 0.004 . 1 . . 1198 . . 82 GLU H . 53407 1 359 . 1 . 1 82 82 GLU C C 13 177.053 0.012 . 1 . . 1200 . . 82 GLU C . 53407 1 360 . 1 . 1 82 82 GLU CA C 13 57.074 0.028 . 1 . . 1201 . . 82 GLU CA . 53407 1 361 . 1 . 1 82 82 GLU CB C 13 30.139 . . 1 . . 376 . . 82 GLU CB . 53407 1 362 . 1 . 1 82 82 GLU N N 15 122.875 0.022 . 1 . . 1199 . . 82 GLU N . 53407 1 363 . 1 . 1 83 83 GLY H H 1 8.510 0.001 . 1 . . 1202 . . 83 GLY H . 53407 1 364 . 1 . 1 83 83 GLY C C 13 173.641 0.009 . 1 . . 1925 . . 83 GLY C . 53407 1 365 . 1 . 1 83 83 GLY CA C 13 45.144 0.001 . 1 . . 1924 . . 83 GLY CA . 53407 1 366 . 1 . 1 83 83 GLY N N 15 109.508 0.005 . 1 . . 1203 . . 83 GLY N . 53407 1 367 . 1 . 1 84 84 ALA H H 1 8.038 0.003 . 1 . . 1204 . . 84 ALA H . 53407 1 368 . 1 . 1 84 84 ALA C C 13 175.686 0.023 . 1 . . 1206 . . 84 ALA C . 53407 1 369 . 1 . 1 84 84 ALA CA C 13 50.787 0.027 . 1 . . 1207 . . 84 ALA CA . 53407 1 370 . 1 . 1 84 84 ALA CB C 13 18.248 . . 1 . . 375 . . 84 ALA CB . 53407 1 371 . 1 . 1 84 84 ALA N N 15 124.802 0.012 . 1 . . 1205 . . 84 ALA N . 53407 1 372 . 1 . 1 85 85 PRO C C 13 177.895 . . 1 . . 704 . . 85 PRO C . 53407 1 373 . 1 . 1 85 85 PRO N N 15 135.962 0.003 . 1 . . 1208 . . 85 PRO N . 53407 1 374 . 1 . 1 86 86 GLY H H 1 8.493 0.003 . 1 . . 1763 . . 86 GLY H . 53407 1 375 . 1 . 1 86 86 GLY C C 13 174.377 0.006 . 1 . . 386 . . 86 GLY C . 53407 1 376 . 1 . 1 86 86 GLY CA C 13 45.330 0.003 . 1 . . 387 . . 86 GLY CA . 53407 1 377 . 1 . 1 86 86 GLY N N 15 109.018 0.007 . 1 . . 1764 . . 86 GLY N . 53407 1 378 . 1 . 1 87 87 LYS H H 1 8.145 0.002 . 1 . . 1209 . . 87 LYS H . 53407 1 379 . 1 . 1 87 87 LYS C C 13 176.842 0.022 . 1 . . 1211 . . 87 LYS C . 53407 1 380 . 1 . 1 87 87 LYS CA C 13 56.437 0.009 . 1 . . 1212 . . 87 LYS CA . 53407 1 381 . 1 . 1 87 87 LYS CB C 13 32.989 . . 1 . . 385 . . 87 LYS CB . 53407 1 382 . 1 . 1 87 87 LYS N N 15 120.915 0.011 . 1 . . 1210 . . 87 LYS N . 53407 1 383 . 1 . 1 88 88 GLN H H 1 8.447 0.001 . 1 . . 1213 . . 88 GLN H . 53407 1 384 . 1 . 1 88 88 GLN C C 13 175.850 0.014 . 1 . . 1215 . . 88 GLN C . 53407 1 385 . 1 . 1 88 88 GLN CA C 13 55.860 0.014 . 1 . . 1216 . . 88 GLN CA . 53407 1 386 . 1 . 1 88 88 GLN CB C 13 29.411 . . 1 . . 384 . . 88 GLN CB . 53407 1 387 . 1 . 1 88 88 GLN N N 15 121.711 0.012 . 1 . . 1214 . . 88 GLN N . 53407 1 388 . 1 . 1 89 89 ALA H H 1 8.386 0.004 . 1 . . 1217 . . 89 ALA H . 53407 1 389 . 1 . 1 89 89 ALA C C 13 177.522 0.02 . 1 . . 1219 . . 89 ALA C . 53407 1 390 . 1 . 1 89 89 ALA CA C 13 52.555 0.004 . 1 . . 1220 . . 89 ALA CA . 53407 1 391 . 1 . 1 89 89 ALA CB C 13 19.262 . . 1 . . 383 . . 89 ALA CB . 53407 1 392 . 1 . 1 89 89 ALA N N 15 125.841 0.012 . 1 . . 1218 . . 89 ALA N . 53407 1 393 . 1 . 1 90 90 ALA H H 1 8.284 0.002 . 1 . . 1221 . . 90 ALA H . 53407 1 394 . 1 . 1 90 90 ALA C C 13 177.438 0.018 . 1 . . 1223 . . 90 ALA C . 53407 1 395 . 1 . 1 90 90 ALA CA C 13 52.304 0.016 . 1 . . 1224 . . 90 ALA CA . 53407 1 396 . 1 . 1 90 90 ALA CB C 13 19.264 . . 1 . . 382 . . 90 ALA CB . 53407 1 397 . 1 . 1 90 90 ALA N N 15 123.474 0.015 . 1 . . 1222 . . 90 ALA N . 53407 1 398 . 1 . 1 91 91 ALA H H 1 8.261 0.003 . 1 . . 1225 . . 91 ALA H . 53407 1 399 . 1 . 1 91 91 ALA C C 13 177.540 0.016 . 1 . . 1227 . . 91 ALA C . 53407 1 400 . 1 . 1 91 91 ALA CA C 13 52.280 0.001 . 1 . . 1228 . . 91 ALA CA . 53407 1 401 . 1 . 1 91 91 ALA CB C 13 19.269 . . 1 . . 381 . . 91 ALA CB . 53407 1 402 . 1 . 1 91 91 ALA N N 15 123.532 0.008 . 1 . . 1226 . . 91 ALA N . 53407 1 403 . 1 . 1 92 92 GLN H H 1 8.358 0.002 . 1 . . 1229 . . 92 GLN H . 53407 1 404 . 1 . 1 92 92 GLN C C 13 174.071 0.007 . 1 . . 1231 . . 92 GLN C . 53407 1 405 . 1 . 1 92 92 GLN CA C 13 53.514 0.005 . 1 . . 1232 . . 92 GLN CA . 53407 1 406 . 1 . 1 92 92 GLN CB C 13 29.056 . . 1 . . 380 . . 92 GLN CB . 53407 1 407 . 1 . 1 92 92 GLN N N 15 120.834 0.014 . 1 . . 1230 . . 92 GLN N . 53407 1 408 . 1 . 1 93 93 PRO C C 13 176.721 . . 1 . . 705 . . 93 PRO C . 53407 1 409 . 1 . 1 93 93 PRO N N 15 137.079 0.006 . 1 . . 1233 . . 93 PRO N . 53407 1 410 . 1 . 1 94 94 HIS H H 1 8.627 0.004 . 1 . . 10 . . 94 HIS H . 53407 1 411 . 1 . 1 94 94 HIS C C 13 174.900 0.027 . 1 . . 388 . . 94 HIS C . 53407 1 412 . 1 . 1 94 94 HIS CA C 13 55.736 . . 1 . . 390 . . 94 HIS CA . 53407 1 413 . 1 . 1 94 94 HIS CB C 13 29.648 . . 1 . . 391 . . 94 HIS CB . 53407 1 414 . 1 . 1 94 94 HIS N N 15 119.542 0.004 . 1 . . 11 . . 94 HIS N . 53407 1 415 . 1 . 1 95 95 THR H H 1 8.123 0.032 . 1 . . 1846 . . 95 THR H . 53407 1 416 . 1 . 1 95 95 THR C C 13 174.024 0.015 . 1 . . 389 . . 95 THR C . 53407 1 417 . 1 . 1 95 95 THR CA C 13 61.741 . . 1 . . 392 . . 95 THR CA . 53407 1 418 . 1 . 1 95 95 THR CB C 13 69.931 . . 1 . . 393 . . 95 THR CB . 53407 1 419 . 1 . 1 95 95 THR N N 15 116.506 0.042 . 1 . . 1847 . . 95 THR N . 53407 1 420 . 1 . 1 96 96 GLU H H 1 8.528 0.018 . 1 . . 1820 . . 96 GLU H . 53407 1 421 . 1 . 1 96 96 GLU C C 13 176.003 0.0 . 1 . . 394 . . 96 GLU C . 53407 1 422 . 1 . 1 96 96 GLU CA C 13 56.275 0.036 . 1 . . 395 . . 96 GLU CA . 53407 1 423 . 1 . 1 96 96 GLU CB C 13 30.318 . . 1 . . 396 . . 96 GLU CB . 53407 1 424 . 1 . 1 96 96 GLU N N 15 123.984 0.015 . 1 . . 1821 . . 96 GLU N . 53407 1 425 . 1 . 1 97 97 ILE H H 1 8.339 0.001 . 1 . . 1234 . . 97 ILE H . 53407 1 426 . 1 . 1 97 97 ILE C C 13 174.631 0.004 . 1 . . 1236 . . 97 ILE C . 53407 1 427 . 1 . 1 97 97 ILE CA C 13 58.606 0.011 . 1 . . 1237 . . 97 ILE CA . 53407 1 428 . 1 . 1 97 97 ILE CB C 13 38.574 . . 1 . . 397 . . 97 ILE CB . 53407 1 429 . 1 . 1 97 97 ILE N N 15 124.297 0.018 . 1 . . 1235 . . 97 ILE N . 53407 1 430 . 1 . 1 98 98 PRO C C 13 176.971 . . 1 . . 706 . . 98 PRO C . 53407 1 431 . 1 . 1 98 98 PRO N N 15 140.439 . . 1 . . 1238 . . 98 PRO N . 53407 1 432 . 1 . 1 99 99 GLU H H 1 8.624 0.001 . 1 . . 1239 . . 99 GLU H . 53407 1 433 . 1 . 1 99 99 GLU C C 13 177.248 0.039 . 1 . . 1241 . . 99 GLU C . 53407 1 434 . 1 . 1 99 99 GLU CA C 13 56.951 0.095 . 1 . . 1242 . . 99 GLU CA . 53407 1 435 . 1 . 1 99 99 GLU CB C 13 30.402 . . 1 . . 398 . . 99 GLU CB . 53407 1 436 . 1 . 1 99 99 GLU N N 15 122.175 0.014 . 1 . . 1240 . . 99 GLU N . 53407 1 437 . 1 . 1 100 100 GLY H H 1 8.567 0.001 . 1 . . 1243 . . 100 GLY H . 53407 1 438 . 1 . 1 100 100 GLY C C 13 174.350 0.012 . 1 . . 399 . . 100 GLY C . 53407 1 439 . 1 . 1 100 100 GLY CA C 13 45.388 0.012 . 1 . . 400 . . 100 GLY CA . 53407 1 440 . 1 . 1 100 100 GLY N N 15 110.578 0.006 . 1 . . 1244 . . 100 GLY N . 53407 1 441 . 1 . 1 101 101 THR H H 1 8.098 0.002 . 1 . . 1245 . . 101 THR H . 53407 1 442 . 1 . 1 101 101 THR C C 13 174.790 0.02 . 1 . . 1247 . . 101 THR C . 53407 1 443 . 1 . 1 101 101 THR CA C 13 61.917 0.019 . 1 . . 1248 . . 101 THR CA . 53407 1 444 . 1 . 1 101 101 THR CB C 13 70.098 . . 1 . . 401 . . 101 THR CB . 53407 1 445 . 1 . 1 101 101 THR N N 15 114.065 0.006 . 1 . . 1246 . . 101 THR N . 53407 1 446 . 1 . 1 102 102 THR H H 1 8.329 0.002 . 1 . . 1249 . . 102 THR H . 53407 1 447 . 1 . 1 102 102 THR C C 13 174.438 0.02 . 1 . . 1251 . . 102 THR C . 53407 1 448 . 1 . 1 102 102 THR CA C 13 61.806 0.046 . 1 . . 1252 . . 102 THR CA . 53407 1 449 . 1 . 1 102 102 THR CB C 13 70.076 . . 1 . . 402 . . 102 THR CB . 53407 1 450 . 1 . 1 102 102 THR N N 15 116.804 0.021 . 1 . . 1250 . . 102 THR N . 53407 1 451 . 1 . 1 103 103 ALA H H 1 8.482 0.002 . 1 . . 1253 . . 103 ALA H . 53407 1 452 . 1 . 1 103 103 ALA C C 13 178.037 0.037 . 1 . . 1255 . . 103 ALA C . 53407 1 453 . 1 . 1 103 103 ALA CA C 13 52.868 0.01 . 1 . . 1256 . . 103 ALA CA . 53407 1 454 . 1 . 1 103 103 ALA CB C 13 19.208 . . 1 . . 403 . . 103 ALA CB . 53407 1 455 . 1 . 1 103 103 ALA N N 15 126.635 0.015 . 1 . . 1254 . . 103 ALA N . 53407 1 456 . 1 . 1 104 104 GLU H H 1 8.439 0.003 . 1 . . 1257 . . 104 GLU H . 53407 1 457 . 1 . 1 104 104 GLU C C 13 176.918 0.018 . 1 . . 1259 . . 104 GLU C . 53407 1 458 . 1 . 1 104 104 GLU CA C 13 57.001 0.032 . 1 . . 1260 . . 104 GLU CA . 53407 1 459 . 1 . 1 104 104 GLU CB C 13 30.239 . . 1 . . 404 . . 104 GLU CB . 53407 1 460 . 1 . 1 104 104 GLU N N 15 120.244 0.019 . 1 . . 1258 . . 104 GLU N . 53407 1 461 . 1 . 1 105 105 GLU H H 1 8.369 0.003 . 1 . . 1261 . . 105 GLU H . 53407 1 462 . 1 . 1 105 105 GLU C C 13 176.376 0.018 . 1 . . 1263 . . 105 GLU C . 53407 1 463 . 1 . 1 105 105 GLU CA C 13 56.659 0.003 . 1 . . 1264 . . 105 GLU CA . 53407 1 464 . 1 . 1 105 105 GLU CB C 13 30.311 . . 1 . . 405 . . 105 GLU CB . 53407 1 465 . 1 . 1 105 105 GLU N N 15 121.965 0.007 . 1 . . 1262 . . 105 GLU N . 53407 1 466 . 1 . 1 106 106 ALA H H 1 8.334 0.002 . 1 . . 1265 . . 106 ALA H . 53407 1 467 . 1 . 1 106 106 ALA C C 13 178.357 0.016 . 1 . . 1268 . . 106 ALA C . 53407 1 468 . 1 . 1 106 106 ALA CA C 13 52.811 0.019 . 1 . . 1269 . . 106 ALA CA . 53407 1 469 . 1 . 1 106 106 ALA CB C 13 19.347 . . 1 . . 406 . . 106 ALA CB . 53407 1 470 . 1 . 1 106 106 ALA N N 15 125.061 0.005 . 1 . . 1266 . . 106 ALA N . 53407 1 471 . 1 . 1 107 107 GLY H H 1 8.393 0.001 . 1 . . 1270 . . 107 GLY H . 53407 1 472 . 1 . 1 107 107 GLY C C 13 174.411 0.005 . 1 . . 407 . . 107 GLY C . 53407 1 473 . 1 . 1 107 107 GLY CA C 13 45.325 0.016 . 1 . . 408 . . 107 GLY CA . 53407 1 474 . 1 . 1 107 107 GLY N N 15 108.235 0.01 . 1 . . 1271 . . 107 GLY N . 53407 1 475 . 1 . 1 108 108 ILE H H 1 8.024 0.002 . 1 . . 1272 . . 108 ILE H . 53407 1 476 . 1 . 1 108 108 ILE C C 13 176.959 0.022 . 1 . . 1274 . . 108 ILE C . 53407 1 477 . 1 . 1 108 108 ILE CA C 13 61.485 0.009 . 1 . . 1275 . . 108 ILE CA . 53407 1 478 . 1 . 1 108 108 ILE CB C 13 38.673 . . 1 . . 409 . . 108 ILE CB . 53407 1 479 . 1 . 1 108 108 ILE N N 15 119.681 0.011 . 1 . . 1273 . . 108 ILE N . 53407 1 480 . 1 . 1 109 109 GLY H H 1 8.516 0.001 . 1 . . 1276 . . 109 GLY H . 53407 1 481 . 1 . 1 109 109 GLY C C 13 173.812 0.011 . 1 . . 410 . . 109 GLY C . 53407 1 482 . 1 . 1 109 109 GLY CA C 13 45.200 0.01 . 1 . . 411 . . 109 GLY CA . 53407 1 483 . 1 . 1 109 109 GLY N N 15 112.627 0.014 . 1 . . 1277 . . 109 GLY N . 53407 1 484 . 1 . 1 110 110 ASP H H 1 8.241 0.001 . 1 . . 1278 . . 110 ASP H . 53407 1 485 . 1 . 1 110 110 ASP C C 13 176.226 0.003 . 1 . . 1280 . . 110 ASP C . 53407 1 486 . 1 . 1 110 110 ASP CA C 13 54.298 0.025 . 1 . . 1281 . . 110 ASP CA . 53407 1 487 . 1 . 1 110 110 ASP CB C 13 41.415 . . 1 . . 412 . . 110 ASP CB . 53407 1 488 . 1 . 1 110 110 ASP N N 15 120.637 0.007 . 1 . . 1279 . . 110 ASP N . 53407 1 489 . 1 . 1 111 111 THR H H 1 8.237 0.001 . 1 . . 1282 . . 111 THR H . 53407 1 490 . 1 . 1 111 111 THR C C 13 172.801 0.006 . 1 . . 1284 . . 111 THR C . 53407 1 491 . 1 . 1 111 111 THR CA C 13 59.958 0.023 . 1 . . 1285 . . 111 THR CA . 53407 1 492 . 1 . 1 111 111 THR CB C 13 69.837 . . 1 . . 413 . . 111 THR CB . 53407 1 493 . 1 . 1 111 111 THR N N 15 116.951 0.016 . 1 . . 1283 . . 111 THR N . 53407 1 494 . 1 . 1 112 112 PRO C C 13 176.905 . . 1 . . 707 . . 112 PRO C . 53407 1 495 . 1 . 1 112 112 PRO N N 15 139.291 0.071 . 1 . . 1286 . . 112 PRO N . 53407 1 496 . 1 . 1 113 113 SER H H 1 8.563 0.003 . 1 . . 1287 . . 113 SER H . 53407 1 497 . 1 . 1 113 113 SER C C 13 174.840 0.01 . 1 . . 1289 . . 113 SER C . 53407 1 498 . 1 . 1 113 113 SER CA C 13 58.092 0.013 . 1 . . 1290 . . 113 SER CA . 53407 1 499 . 1 . 1 113 113 SER CB C 13 63.947 . . 1 . . 186 . . 113 SER CB . 53407 1 500 . 1 . 1 113 113 SER N N 15 116.845 0.023 . 1 . . 1288 . . 113 SER N . 53407 1 501 . 1 . 1 114 114 LEU H H 1 8.471 0.002 . 1 . . 1291 . . 114 LEU H . 53407 1 502 . 1 . 1 114 114 LEU C C 13 177.897 0.033 . 1 . . 1293 . . 114 LEU C . 53407 1 503 . 1 . 1 114 114 LEU CA C 13 55.659 0.017 . 1 . . 1294 . . 114 LEU CA . 53407 1 504 . 1 . 1 114 114 LEU CB C 13 42.216 . . 1 . . 185 . . 114 LEU CB . 53407 1 505 . 1 . 1 114 114 LEU N N 15 124.746 0.006 . 1 . . 1292 . . 114 LEU N . 53407 1 506 . 1 . 1 115 115 GLU H H 1 8.434 0.002 . 1 . . 1295 . . 115 GLU H . 53407 1 507 . 1 . 1 115 115 GLU C C 13 176.609 0.01 . 1 . . 1297 . . 115 GLU C . 53407 1 508 . 1 . 1 115 115 GLU CA C 13 57.104 0.016 . 1 . . 1298 . . 115 GLU CA . 53407 1 509 . 1 . 1 115 115 GLU CB C 13 30.071 . . 1 . . 184 . . 115 GLU CB . 53407 1 510 . 1 . 1 115 115 GLU N N 15 120.954 0.006 . 1 . . 1296 . . 115 GLU N . 53407 1 511 . 1 . 1 116 116 ASP H H 1 8.257 0.001 . 1 . . 1299 . . 116 ASP H . 53407 1 512 . 1 . 1 116 116 ASP C C 13 176.934 0.015 . 1 . . 1301 . . 116 ASP C . 53407 1 513 . 1 . 1 116 116 ASP CA C 13 54.779 0.014 . 1 . . 1302 . . 116 ASP CA . 53407 1 514 . 1 . 1 116 116 ASP CB C 13 41.157 . . 1 . . 183 . . 116 ASP CB . 53407 1 515 . 1 . 1 116 116 ASP N N 15 121.266 0.008 . 1 . . 1300 . . 116 ASP N . 53407 1 516 . 1 . 1 117 117 GLU H H 1 8.406 0.002 . 1 . . 1303 . . 117 GLU H . 53407 1 517 . 1 . 1 117 117 GLU C C 13 177.086 0.032 . 1 . . 1305 . . 117 GLU C . 53407 1 518 . 1 . 1 117 117 GLU CA C 13 57.455 0.022 . 1 . . 1306 . . 117 GLU CA . 53407 1 519 . 1 . 1 117 117 GLU CB C 13 29.989 . . 1 . . 182 . . 117 GLU CB . 53407 1 520 . 1 . 1 117 117 GLU N N 15 122.017 0.012 . 1 . . 1304 . . 117 GLU N . 53407 1 521 . 1 . 1 118 118 ALA H H 1 8.276 0.001 . 1 . . 1307 . . 118 ALA H . 53407 1 522 . 1 . 1 118 118 ALA C C 13 178.164 0.046 . 1 . . 1309 . . 118 ALA C . 53407 1 523 . 1 . 1 118 118 ALA CA C 13 52.985 0.053 . 1 . . 1310 . . 118 ALA CA . 53407 1 524 . 1 . 1 118 118 ALA CB C 13 18.879 . . 1 . . 181 . . 118 ALA CB . 53407 1 525 . 1 . 1 118 118 ALA N N 15 123.928 0.013 . 1 . . 1308 . . 118 ALA N . 53407 1 526 . 1 . 1 119 119 ALA H H 1 8.065 0.004 . 1 . . 1311 . . 119 ALA H . 53407 1 527 . 1 . 1 119 119 ALA C C 13 178.559 0.032 . 1 . . 1313 . . 119 ALA C . 53407 1 528 . 1 . 1 119 119 ALA CA C 13 52.973 0.03 . 1 . . 1314 . . 119 ALA CA . 53407 1 529 . 1 . 1 119 119 ALA CB C 13 18.946 . . 1 . . 159 . . 119 ALA CB . 53407 1 530 . 1 . 1 119 119 ALA N N 15 122.166 0.009 . 1 . . 1312 . . 119 ALA N . 53407 1 531 . 1 . 1 120 120 GLY H H 1 8.215 0.001 . 1 . . 1315 . . 120 GLY H . 53407 1 532 . 1 . 1 120 120 GLY C C 13 174.224 0.004 . 1 . . 160 . . 120 GLY C . 53407 1 533 . 1 . 1 120 120 GLY CA C 13 45.450 0.016 . 1 . . 161 . . 120 GLY CA . 53407 1 534 . 1 . 1 120 120 GLY N N 15 107.104 0.009 . 1 . . 1316 . . 120 GLY N . 53407 1 535 . 1 . 1 121 121 HIS H H 1 8.134 0.018 . 1 . . 4 . . 121 HIS H . 53407 1 536 . 1 . 1 121 121 HIS C C 13 175.378 0.013 . 1 . . 162 . . 121 HIS C . 53407 1 537 . 1 . 1 121 121 HIS CA C 13 56.240 0.007 . 1 . . 1926 . . 121 HIS CA . 53407 1 538 . 1 . 1 121 121 HIS CB C 13 30.264 . . 1 . . 1927 . . 121 HIS CB . 53407 1 539 . 1 . 1 121 121 HIS N N 15 119.122 0.02 . 1 . . 5 . . 121 HIS N . 53407 1 540 . 1 . 1 122 122 VAL H H 1 8.131 0.027 . 1 . . 1769 . . 122 VAL H . 53407 1 541 . 1 . 1 122 122 VAL C C 13 176.444 0.005 . 1 . . 163 . . 122 VAL C . 53407 1 542 . 1 . 1 122 122 VAL CA C 13 62.719 0.027 . 1 . . 164 . . 122 VAL CA . 53407 1 543 . 1 . 1 122 122 VAL CB C 13 32.702 . . 1 . . 165 . . 122 VAL CB . 53407 1 544 . 1 . 1 122 122 VAL N N 15 121.830 0.033 . 1 . . 1770 . . 122 VAL N . 53407 1 545 . 1 . 1 123 123 THR H H 1 8.298 0.012 . 1 . . 30 . . 123 THR H . 53407 1 546 . 1 . 1 123 123 THR C C 13 174.656 0.019 . 1 . . 166 . . 123 THR C . 53407 1 547 . 1 . 1 123 123 THR CA C 13 62.363 0.027 . 1 . . 167 . . 123 THR CA . 53407 1 548 . 1 . 1 123 123 THR CB C 13 69.706 . . 1 . . 168 . . 123 THR CB . 53407 1 549 . 1 . 1 123 123 THR N N 15 118.512 0.085 . 1 . . 31 . . 123 THR N . 53407 1 550 . 1 . 1 124 124 GLN H H 1 8.422 0.003 . 1 . . 22 . . 124 GLN H . 53407 1 551 . 1 . 1 124 124 GLN C C 13 175.884 0.005 . 1 . . 169 . . 124 GLN C . 53407 1 552 . 1 . 1 124 124 GLN CA C 13 56.140 0.013 . 1 . . 170 . . 124 GLN CA . 53407 1 553 . 1 . 1 124 124 GLN CB C 13 29.389 . . 1 . . 171 . . 124 GLN CB . 53407 1 554 . 1 . 1 124 124 GLN N N 15 123.082 0.067 . 1 . . 23 . . 124 GLN N . 53407 1 555 . 1 . 1 125 125 ALA H H 1 8.351 0.001 . 1 . . 1771 . . 125 ALA H . 53407 1 556 . 1 . 1 125 125 ALA C C 13 177.886 0.003 . 1 . . 172 . . 125 ALA C . 53407 1 557 . 1 . 1 125 125 ALA CA C 13 52.906 0.045 . 1 . . 173 . . 125 ALA CA . 53407 1 558 . 1 . 1 125 125 ALA CB C 13 19.109 . . 1 . . 174 . . 125 ALA CB . 53407 1 559 . 1 . 1 125 125 ALA N N 15 125.188 0.009 . 1 . . 1772 . . 125 ALA N . 53407 1 560 . 1 . 1 126 126 ARG H H 1 8.273 0.006 . 1 . . 1765 . . 126 ARG H . 53407 1 561 . 1 . 1 126 126 ARG C C 13 176.537 0.197 . 1 . . 175 . . 126 ARG C . 53407 1 562 . 1 . 1 126 126 ARG CA C 13 56.266 0.005 . 1 . . 177 . . 126 ARG CA . 53407 1 563 . 1 . 1 126 126 ARG CB C 13 30.759 . . 1 . . 176 . . 126 ARG CB . 53407 1 564 . 1 . 1 126 126 ARG N N 15 119.911 0.006 . 1 . . 1766 . . 126 ARG N . 53407 1 565 . 1 . 1 127 127 MET H H 1 8.372 0.007 . 1 . . 2 . . 127 MET H . 53407 1 566 . 1 . 1 127 127 MET C C 13 176.304 0.062 . 1 . . 178 . . 127 MET C . 53407 1 567 . 1 . 1 127 127 MET CA C 13 55.650 . . 1 . . 180 . . 127 MET CA . 53407 1 568 . 1 . 1 127 127 MET CB C 13 32.962 . . 1 . . 179 . . 127 MET CB . 53407 1 569 . 1 . 1 127 127 MET N N 15 121.942 0.051 . 1 . . 3 . . 127 MET N . 53407 1 570 . 1 . 1 128 128 VAL H H 1 8.202 0.003 . 1 . . 1767 . . 128 VAL H . 53407 1 571 . 1 . 1 128 128 VAL C C 13 176.218 0.015 . 1 . . 156 . . 128 VAL C . 53407 1 572 . 1 . 1 128 128 VAL CA C 13 62.398 0.043 . 1 . . 157 . . 128 VAL CA . 53407 1 573 . 1 . 1 128 128 VAL CB C 13 32.796 . . 1 . . 158 . . 128 VAL CB . 53407 1 574 . 1 . 1 128 128 VAL N N 15 121.804 0.034 . 1 . . 1768 . . 128 VAL N . 53407 1 575 . 1 . 1 129 129 SER H H 1 8.434 0.014 . 1 . . 1825 . . 129 SER H . 53407 1 576 . 1 . 1 129 129 SER C C 13 174.604 . . 1 . . 153 . . 129 SER C . 53407 1 577 . 1 . 1 129 129 SER CA C 13 58.274 . . 1 . . 154 . . 129 SER CA . 53407 1 578 . 1 . 1 129 129 SER CB C 13 63.875 . . 1 . . 155 . . 129 SER CB . 53407 1 579 . 1 . 1 129 129 SER N N 15 119.854 0.01 . 1 . . 1826 . . 129 SER N . 53407 1 580 . 1 . 1 130 130 LYS H H 1 8.463 0.002 . 1 . . 1317 . . 130 LYS H . 53407 1 581 . 1 . 1 130 130 LYS C C 13 176.727 0.009 . 1 . . 1319 . . 130 LYS C . 53407 1 582 . 1 . 1 130 130 LYS CA C 13 56.441 0.019 . 1 . . 1320 . . 130 LYS CA . 53407 1 583 . 1 . 1 130 130 LYS CB C 13 33.113 . . 1 . . 152 . . 130 LYS CB . 53407 1 584 . 1 . 1 130 130 LYS N N 15 123.951 0.015 . 1 . . 1318 . . 130 LYS N . 53407 1 585 . 1 . 1 131 131 SER H H 1 8.382 0.003 . 1 . . 1321 . . 131 SER H . 53407 1 586 . 1 . 1 131 131 SER C C 13 174.892 0.004 . 1 . . 1323 . . 131 SER C . 53407 1 587 . 1 . 1 131 131 SER CA C 13 58.483 0.032 . 1 . . 1324 . . 131 SER CA . 53407 1 588 . 1 . 1 131 131 SER CB C 13 63.813 . . 1 . . 151 . . 131 SER CB . 53407 1 589 . 1 . 1 131 131 SER N N 15 117.191 0.014 . 1 . . 1322 . . 131 SER N . 53407 1 590 . 1 . 1 132 132 LYS H H 1 8.510 0.002 . 1 . . 1827 . . 132 LYS H . 53407 1 591 . 1 . 1 132 132 LYS C C 13 176.445 0.046 . 1 . . 148 . . 132 LYS C . 53407 1 592 . 1 . 1 132 132 LYS CA C 13 56.323 0.005 . 1 . . 150 . . 132 LYS CA . 53407 1 593 . 1 . 1 132 132 LYS CB C 13 32.838 . . 1 . . 149 . . 132 LYS CB . 53407 1 594 . 1 . 1 132 132 LYS N N 15 123.607 0.008 . 1 . . 1828 . . 132 LYS N . 53407 1 595 . 1 . 1 133 133 ASP H H 1 8.318 0.001 . 1 . . 1325 . . 133 ASP H . 53407 1 596 . 1 . 1 133 133 ASP C C 13 176.848 0.021 . 1 . . 1327 . . 133 ASP C . 53407 1 597 . 1 . 1 133 133 ASP CA C 13 54.468 0.014 . 1 . . 1328 . . 133 ASP CA . 53407 1 598 . 1 . 1 133 133 ASP CB C 13 41.369 . . 1 . . 147 . . 133 ASP CB . 53407 1 599 . 1 . 1 133 133 ASP N N 15 120.966 0.009 . 1 . . 1326 . . 133 ASP N . 53407 1 600 . 1 . 1 134 134 GLY H H 1 8.387 0.003 . 1 . . 1329 . . 134 GLY H . 53407 1 601 . 1 . 1 134 134 GLY C C 13 174.830 0.016 . 1 . . 145 . . 134 GLY C . 53407 1 602 . 1 . 1 134 134 GLY CA C 13 45.605 0.006 . 1 . . 146 . . 134 GLY CA . 53407 1 603 . 1 . 1 134 134 GLY N N 15 109.492 0.018 . 1 . . 1330 . . 134 GLY N . 53407 1 604 . 1 . 1 135 135 THR H H 1 8.228 0.003 . 1 . . 1331 . . 135 THR H . 53407 1 605 . 1 . 1 135 135 THR C C 13 175.593 0.01 . 1 . . 1333 . . 135 THR C . 53407 1 606 . 1 . 1 135 135 THR CA C 13 62.297 0.027 . 1 . . 1334 . . 135 THR CA . 53407 1 607 . 1 . 1 135 135 THR CB C 13 70.074 . . 1 . . 144 . . 135 THR CB . 53407 1 608 . 1 . 1 135 135 THR N N 15 113.127 0.003 . 1 . . 1332 . . 135 THR N . 53407 1 609 . 1 . 1 136 136 GLY H H 1 8.610 0.001 . 1 . . 1335 . . 136 GLY H . 53407 1 610 . 1 . 1 136 136 GLY C C 13 174.455 0.003 . 1 . . 142 . . 136 GLY C . 53407 1 611 . 1 . 1 136 136 GLY CA C 13 45.464 0.012 . 1 . . 143 . . 136 GLY CA . 53407 1 612 . 1 . 1 136 136 GLY N N 15 111.567 0.015 . 1 . . 1336 . . 136 GLY N . 53407 1 613 . 1 . 1 137 137 SER H H 1 8.287 0.016 . 1 . . 1337 . . 137 SER H . 53407 1 614 . 1 . 1 137 137 SER C C 13 174.614 0.016 . 1 . . 1339 . . 137 SER C . 53407 1 615 . 1 . 1 137 137 SER CA C 13 58.530 0.041 . 1 . . 1340 . . 137 SER CA . 53407 1 616 . 1 . 1 137 137 SER CB C 13 64.017 . . 1 . . 141 . . 137 SER CB . 53407 1 617 . 1 . 1 137 137 SER N N 15 115.813 0.005 . 1 . . 1338 . . 137 SER N . 53407 1 618 . 1 . 1 138 138 ASP H H 1 8.498 0.002 . 1 . . 1341 . . 138 ASP H . 53407 1 619 . 1 . 1 138 138 ASP C C 13 176.175 0.01 . 1 . . 1343 . . 138 ASP C . 53407 1 620 . 1 . 1 138 138 ASP CA C 13 54.577 0.012 . 1 . . 1344 . . 138 ASP CA . 53407 1 621 . 1 . 1 138 138 ASP CB C 13 41.116 . . 1 . . 140 . . 138 ASP CB . 53407 1 622 . 1 . 1 138 138 ASP N N 15 122.383 0.006 . 1 . . 1342 . . 138 ASP N . 53407 1 623 . 1 . 1 139 139 ASP H H 1 8.271 0.0 . 1 . . 1345 . . 139 ASP H . 53407 1 624 . 1 . 1 139 139 ASP C C 13 176.672 0.02 . 1 . . 1347 . . 139 ASP C . 53407 1 625 . 1 . 1 139 139 ASP CA C 13 54.729 0.002 . 1 . . 1348 . . 139 ASP CA . 53407 1 626 . 1 . 1 139 139 ASP CB C 13 41.012 . . 1 . . 139 . . 139 ASP CB . 53407 1 627 . 1 . 1 139 139 ASP N N 15 120.958 0.011 . 1 . . 1346 . . 139 ASP N . 53407 1 628 . 1 . 1 140 140 LYS H H 1 8.263 0.001 . 1 . . 1349 . . 140 LYS H . 53407 1 629 . 1 . 1 140 140 LYS C C 13 177.106 0.006 . 1 . . 1351 . . 140 LYS C . 53407 1 630 . 1 . 1 140 140 LYS CA C 13 56.758 0.071 . 1 . . 1352 . . 140 LYS CA . 53407 1 631 . 1 . 1 140 140 LYS CB C 13 32.431 . . 1 . . 138 . . 140 LYS CB . 53407 1 632 . 1 . 1 140 140 LYS N N 15 121.176 0.015 . 1 . . 1350 . . 140 LYS N . 53407 1 633 . 1 . 1 141 141 LYS H H 1 8.167 0.0 . 1 . . 1773 . . 141 LYS H . 53407 1 634 . 1 . 1 141 141 LYS C C 13 176.636 0.009 . 1 . . 135 . . 141 LYS C . 53407 1 635 . 1 . 1 141 141 LYS CA C 13 56.462 . . 1 . . 136 . . 141 LYS CA . 53407 1 636 . 1 . 1 141 141 LYS CB C 13 32.936 . . 1 . . 137 . . 141 LYS CB . 53407 1 637 . 1 . 1 141 141 LYS N N 15 121.385 0.006 . 1 . . 1774 . . 141 LYS N . 53407 1 638 . 1 . 1 142 142 ALA H H 1 8.219 0.003 . 1 . . 1775 . . 142 ALA H . 53407 1 639 . 1 . 1 142 142 ALA C C 13 177.856 0.008 . 1 . . 133 . . 142 ALA C . 53407 1 640 . 1 . 1 142 142 ALA CA C 13 52.631 . . 1 . . 1777 . . 142 ALA CA . 53407 1 641 . 1 . 1 142 142 ALA CB C 13 19.259 . . 1 . . 134 . . 142 ALA CB . 53407 1 642 . 1 . 1 142 142 ALA N N 15 124.826 0.043 . 1 . . 1776 . . 142 ALA N . 53407 1 643 . 1 . 1 143 143 LYS H H 1 8.319 0.0 . 1 . . 1353 . . 143 LYS H . 53407 1 644 . 1 . 1 143 143 LYS C C 13 177.387 0.004 . 1 . . 1355 . . 143 LYS C . 53407 1 645 . 1 . 1 143 143 LYS CA C 13 56.504 0.004 . 1 . . 1356 . . 143 LYS CA . 53407 1 646 . 1 . 1 143 143 LYS CB C 13 33.072 . . 1 . . 132 . . 143 LYS CB . 53407 1 647 . 1 . 1 143 143 LYS N N 15 120.745 0.012 . 1 . . 1354 . . 143 LYS N . 53407 1 648 . 1 . 1 144 144 GLY H H 1 8.435 0.001 . 1 . . 1357 . . 144 GLY H . 53407 1 649 . 1 . 1 144 144 GLY C C 13 174.254 0.007 . 1 . . 130 . . 144 GLY C . 53407 1 650 . 1 . 1 144 144 GLY CA C 13 45.213 0.012 . 1 . . 131 . . 144 GLY CA . 53407 1 651 . 1 . 1 144 144 GLY N N 15 110.029 0.012 . 1 . . 1358 . . 144 GLY N . 53407 1 652 . 1 . 1 145 145 ALA H H 1 8.304 0.002 . 1 . . 1359 . . 145 ALA H . 53407 1 653 . 1 . 1 145 145 ALA C C 13 177.805 0.04 . 1 . . 1361 . . 145 ALA C . 53407 1 654 . 1 . 1 145 145 ALA CA C 13 52.852 0.015 . 1 . . 1362 . . 145 ALA CA . 53407 1 655 . 1 . 1 145 145 ALA CB C 13 19.272 . . 1 . . 129 . . 145 ALA CB . 53407 1 656 . 1 . 1 145 145 ALA N N 15 124.028 0.01 . 1 . . 1360 . . 145 ALA N . 53407 1 657 . 1 . 1 146 146 ASP H H 1 8.367 0.001 . 1 . . 1363 . . 146 ASP H . 53407 1 658 . 1 . 1 146 146 ASP C C 13 177.029 0.018 . 1 . . 1365 . . 146 ASP C . 53407 1 659 . 1 . 1 146 146 ASP CA C 13 54.376 0.026 . 1 . . 128 . . 146 ASP CA . 53407 1 660 . 1 . 1 146 146 ASP CB C 13 41.146 . . 1 . . 1933 . . 146 ASP CB . 53407 1 661 . 1 . 1 146 146 ASP N N 15 119.023 0.014 . 1 . . 1364 . . 146 ASP N . 53407 1 662 . 1 . 1 147 147 GLY H H 1 8.335 0.003 . 1 . . 1366 . . 147 GLY H . 53407 1 663 . 1 . 1 147 147 GLY C C 13 174.506 0.004 . 1 . . 126 . . 147 GLY C . 53407 1 664 . 1 . 1 147 147 GLY CA C 13 45.703 0.007 . 1 . . 127 . . 147 GLY CA . 53407 1 665 . 1 . 1 147 147 GLY N N 15 109.038 0.009 . 1 . . 1367 . . 147 GLY N . 53407 1 666 . 1 . 1 148 148 LYS H H 1 8.171 0.001 . 1 . . 1368 . . 148 LYS H . 53407 1 667 . 1 . 1 148 148 LYS C C 13 177.031 0.007 . 1 . . 1370 . . 148 LYS C . 53407 1 668 . 1 . 1 148 148 LYS CA C 13 56.485 0.033 . 1 . . 1371 . . 148 LYS CA . 53407 1 669 . 1 . 1 148 148 LYS CB C 13 33.034 . . 1 . . 125 . . 148 LYS CB . 53407 1 670 . 1 . 1 148 148 LYS N N 15 120.586 0.016 . 1 . . 1369 . . 148 LYS N . 53407 1 671 . 1 . 1 149 149 THR H H 1 8.229 0.001 . 1 . . 1372 . . 149 THR H . 53407 1 672 . 1 . 1 149 149 THR C C 13 174.383 0.008 . 1 . . 1374 . . 149 THR C . 53407 1 673 . 1 . 1 149 149 THR CA C 13 62.367 0.002 . 1 . . 1375 . . 149 THR CA . 53407 1 674 . 1 . 1 149 149 THR CB C 13 69.790 . . 1 . . 124 . . 149 THR CB . 53407 1 675 . 1 . 1 149 149 THR N N 15 115.973 0.04 . 1 . . 1373 . . 149 THR N . 53407 1 676 . 1 . 1 150 150 LYS H H 1 8.408 0.001 . 1 . . 1376 . . 150 LYS H . 53407 1 677 . 1 . 1 150 150 LYS C C 13 176.252 0.032 . 1 . . 1378 . . 150 LYS C . 53407 1 678 . 1 . 1 150 150 LYS CA C 13 56.271 0.026 . 1 . . 1379 . . 150 LYS CA . 53407 1 679 . 1 . 1 150 150 LYS CB C 13 33.047 . . 1 . . 123 . . 150 LYS CB . 53407 1 680 . 1 . 1 150 150 LYS N N 15 124.937 0.023 . 1 . . 1377 . . 150 LYS N . 53407 1 681 . 1 . 1 151 151 ILE H H 1 8.215 0.002 . 1 . . 1380 . . 151 ILE H . 53407 1 682 . 1 . 1 151 151 ILE C C 13 175.772 0.012 . 1 . . 1382 . . 151 ILE C . 53407 1 683 . 1 . 1 151 151 ILE CA C 13 60.864 0.004 . 1 . . 1383 . . 151 ILE CA . 53407 1 684 . 1 . 1 151 151 ILE CB C 13 38.809 . . 1 . . 122 . . 151 ILE CB . 53407 1 685 . 1 . 1 151 151 ILE N N 15 123.138 0.027 . 1 . . 1381 . . 151 ILE N . 53407 1 686 . 1 . 1 152 152 ALA H H 1 8.425 0.003 . 1 . . 1384 . . 152 ALA H . 53407 1 687 . 1 . 1 152 152 ALA C C 13 176.799 0.005 . 1 . . 1386 . . 152 ALA C . 53407 1 688 . 1 . 1 152 152 ALA CA C 13 52.146 0.005 . 1 . . 1387 . . 152 ALA CA . 53407 1 689 . 1 . 1 152 152 ALA CB C 13 19.386 . . 1 . . 120 . . 152 ALA CB . 53407 1 690 . 1 . 1 152 152 ALA N N 15 129.257 0.019 . 1 . . 1385 . . 152 ALA N . 53407 1 691 . 1 . 1 153 153 ALA H H 1 8.294 0.002 . 1 . . 1388 . . 153 ALA H . 53407 1 692 . 1 . 1 153 153 ALA C C 13 175.469 0.009 . 1 . . 1390 . . 153 ALA C . 53407 1 693 . 1 . 1 153 153 ALA CA C 13 50.378 0.012 . 1 . . 1391 . . 153 ALA CA . 53407 1 694 . 1 . 1 153 153 ALA CB C 13 18.120 . . 1 . . 121 . . 153 ALA CB . 53407 1 695 . 1 . 1 153 153 ALA N N 15 125.258 0.008 . 1 . . 1389 . . 153 ALA N . 53407 1 696 . 1 . 1 154 154 PRO C C 13 177.066 . . 1 . . 663 . . 154 PRO C . 53407 1 697 . 1 . 1 154 154 PRO N N 15 135.975 0.014 . 1 . . 1392 . . 154 PRO N . 53407 1 698 . 1 . 1 155 155 ARG H H 1 8.546 0.003 . 1 . . 1393 . . 155 ARG H . 53407 1 699 . 1 . 1 155 155 ARG C C 13 177.071 0.024 . 1 . . 1395 . . 155 ARG C . 53407 1 700 . 1 . 1 155 155 ARG CA C 13 56.370 0.013 . 1 . . 1396 . . 155 ARG CA . 53407 1 701 . 1 . 1 155 155 ARG CB C 13 30.811 . . 1 . . 416 . . 155 ARG CB . 53407 1 702 . 1 . 1 155 155 ARG N N 15 121.832 0.018 . 1 . . 1394 . . 155 ARG N . 53407 1 703 . 1 . 1 156 156 GLY H H 1 8.471 0.002 . 1 . . 1397 . . 156 GLY H . 53407 1 704 . 1 . 1 156 156 GLY C C 13 173.560 0.013 . 1 . . 414 . . 156 GLY C . 53407 1 705 . 1 . 1 156 156 GLY CA C 13 45.107 0.015 . 1 . . 415 . . 156 GLY CA . 53407 1 706 . 1 . 1 156 156 GLY N N 15 110.484 0.009 . 1 . . 1398 . . 156 GLY N . 53407 1 707 . 1 . 1 157 157 ALA H H 1 8.155 0.002 . 1 . . 1399 . . 157 ALA H . 53407 1 708 . 1 . 1 157 157 ALA C C 13 177.186 0.003 . 1 . . 417 . . 157 ALA C . 53407 1 709 . 1 . 1 157 157 ALA CA C 13 52.079 0.007 . 1 . . 418 . . 157 ALA CA . 53407 1 710 . 1 . 1 157 157 ALA CB C 13 19.557 . . 1 . . 419 . . 157 ALA CB . 53407 1 711 . 1 . 1 157 157 ALA N N 15 123.833 0.008 . 1 . . 1829 . . 157 ALA N . 53407 1 712 . 1 . 1 158 158 ALA H H 1 8.335 0.003 . 1 . . 1822 . . 158 ALA H . 53407 1 713 . 1 . 1 158 158 ALA C C 13 175.049 0.008 . 1 . . 420 . . 158 ALA C . 53407 1 714 . 1 . 1 158 158 ALA CA C 13 50.373 0.009 . 1 . . 422 . . 158 ALA CA . 53407 1 715 . 1 . 1 158 158 ALA CB C 13 18.135 . . 1 . . 421 . . 158 ALA CB . 53407 1 716 . 1 . 1 158 158 ALA N N 15 125.112 0.002 . 1 . . 1400 . . 158 ALA N . 53407 1 717 . 1 . 1 159 159 PRO N N 15 137.148 . . 1 . . 664 . . 159 PRO N . 53407 1 718 . 1 . 1 160 160 PRO C C 13 177.757 . . 1 . . 665 . . 160 PRO C . 53407 1 719 . 1 . 1 161 161 GLY H H 1 8.505 0.002 . 1 . . 1778 . . 161 GLY H . 53407 1 720 . 1 . 1 161 161 GLY C C 13 174.279 0.003 . 1 . . 423 . . 161 GLY C . 53407 1 721 . 1 . 1 161 161 GLY CA C 13 45.270 0.01 . 1 . . 424 . . 161 GLY CA . 53407 1 722 . 1 . 1 161 161 GLY N N 15 109.032 0.008 . 1 . . 1779 . . 161 GLY N . 53407 1 723 . 1 . 1 162 162 GLN H H 1 8.206 0.004 . 1 . . 1780 . . 162 GLN H . 53407 1 724 . 1 . 1 162 162 GLN C C 13 176.253 0.046 . 1 . . 425 . . 162 GLN C . 53407 1 725 . 1 . 1 162 162 GLN CA C 13 55.864 0.004 . 1 . . 426 . . 162 GLN CA . 53407 1 726 . 1 . 1 162 162 GLN CB C 13 29.679 . . 1 . . 427 . . 162 GLN CB . 53407 1 727 . 1 . 1 162 162 GLN N N 15 119.964 0.013 . 1 . . 1781 . . 162 GLN N . 53407 1 728 . 1 . 1 163 163 LYS H H 1 8.503 0.004 . 1 . . 1782 . . 163 LYS H . 53407 1 729 . 1 . 1 163 163 LYS C C 13 177.266 0.005 . 1 . . 428 . . 163 LYS C . 53407 1 730 . 1 . 1 163 163 LYS CA C 13 56.714 0.056 . 1 . . 429 . . 163 LYS CA . 53407 1 731 . 1 . 1 163 163 LYS CB C 13 32.919 . . 1 . . 430 . . 163 LYS CB . 53407 1 732 . 1 . 1 163 163 LYS N N 15 122.989 0.019 . 1 . . 1783 . . 163 LYS N . 53407 1 733 . 1 . 1 164 164 GLY H H 1 8.511 0.003 . 1 . . 1808 . . 164 GLY H . 53407 1 734 . 1 . 1 164 164 GLY C C 13 174.177 0.0 . 1 . . 431 . . 164 GLY C . 53407 1 735 . 1 . 1 164 164 GLY CA C 13 45.419 0.044 . 1 . . 432 . . 164 GLY CA . 53407 1 736 . 1 . 1 164 164 GLY N N 15 110.324 0.004 . 1 . . 1809 . . 164 GLY N . 53407 1 737 . 1 . 1 165 165 GLN H H 1 8.264 0.002 . 1 . . 1830 . . 165 GLN H . 53407 1 738 . 1 . 1 165 165 GLN C C 13 176.039 0.006 . 1 . . 433 . . 165 GLN C . 53407 1 739 . 1 . 1 165 165 GLN CA C 13 55.754 0.007 . 1 . . 434 . . 165 GLN CA . 53407 1 740 . 1 . 1 165 165 GLN CB C 13 29.578 . . 1 . . 435 . . 165 GLN CB . 53407 1 741 . 1 . 1 165 165 GLN N N 15 119.995 0.003 . 1 . . 1831 . . 165 GLN N . 53407 1 742 . 1 . 1 166 166 ALA H H 1 8.470 0.004 . 1 . . 1401 . . 166 ALA H . 53407 1 743 . 1 . 1 166 166 ALA C C 13 177.679 0.013 . 1 . . 1403 . . 166 ALA C . 53407 1 744 . 1 . 1 166 166 ALA CA C 13 52.898 0.004 . 1 . . 1404 . . 166 ALA CA . 53407 1 745 . 1 . 1 166 166 ALA CB C 13 19.130 . . 1 . . 436 . . 166 ALA CB . 53407 1 746 . 1 . 1 166 166 ALA N N 15 125.412 0.013 . 1 . . 1402 . . 166 ALA N . 53407 1 747 . 1 . 1 167 167 ASN H H 1 8.436 0.001 . 1 . . 1832 . . 167 ASN H . 53407 1 748 . 1 . 1 167 167 ASN C C 13 175.128 0.001 . 1 . . 437 . . 167 ASN C . 53407 1 749 . 1 . 1 167 167 ASN CA C 13 53.264 0.101 . 1 . . 438 . . 167 ASN CA . 53407 1 750 . 1 . 1 167 167 ASN CB C 13 38.914 . . 1 . . 439 . . 167 ASN CB . 53407 1 751 . 1 . 1 167 167 ASN N N 15 117.783 0.008 . 1 . . 1833 . . 167 ASN N . 53407 1 752 . 1 . 1 168 168 ALA H H 1 8.258 0.003 . 1 . . 1405 . . 168 ALA H . 53407 1 753 . 1 . 1 168 168 ALA C C 13 177.886 0.033 . 1 . . 1407 . . 168 ALA C . 53407 1 754 . 1 . 1 168 168 ALA CA C 13 52.810 0.023 . 1 . . 1408 . . 168 ALA CA . 53407 1 755 . 1 . 1 168 168 ALA CB C 13 19.336 . . 1 . . 440 . . 168 ALA CB . 53407 1 756 . 1 . 1 168 168 ALA N N 15 124.307 0.006 . 1 . . 1406 . . 168 ALA N . 53407 1 757 . 1 . 1 169 169 THR H H 1 8.164 0.003 . 1 . . 1409 . . 169 THR H . 53407 1 758 . 1 . 1 169 169 THR C C 13 174.400 0.01 . 1 . . 1411 . . 169 THR C . 53407 1 759 . 1 . 1 169 169 THR CA C 13 62.117 0.009 . 1 . . 1412 . . 169 THR CA . 53407 1 760 . 1 . 1 169 169 THR CB C 13 69.788 . . 1 . . 441 . . 169 THR CB . 53407 1 761 . 1 . 1 169 169 THR N N 15 113.731 0.024 . 1 . . 1410 . . 169 THR N . 53407 1 762 . 1 . 1 170 170 ARG H H 1 8.325 0.003 . 1 . . 1413 . . 170 ARG H . 53407 1 763 . 1 . 1 170 170 ARG C C 13 175.870 0.015 . 1 . . 1415 . . 170 ARG C . 53407 1 764 . 1 . 1 170 170 ARG CA C 13 55.962 0.019 . 1 . . 1416 . . 170 ARG CA . 53407 1 765 . 1 . 1 170 170 ARG CB C 13 30.830 . . 1 . . 442 . . 170 ARG CB . 53407 1 766 . 1 . 1 170 170 ARG N N 15 124.136 0.01 . 1 . . 1414 . . 170 ARG N . 53407 1 767 . 1 . 1 171 171 ILE H H 1 8.311 0.001 . 1 . . 1417 . . 171 ILE H . 53407 1 768 . 1 . 1 171 171 ILE C C 13 174.581 0.019 . 1 . . 1419 . . 171 ILE C . 53407 1 769 . 1 . 1 171 171 ILE CA C 13 58.630 0.01 . 1 . . 1420 . . 171 ILE CA . 53407 1 770 . 1 . 1 171 171 ILE CB C 13 38.516 . . 1 . . 443 . . 171 ILE CB . 53407 1 771 . 1 . 1 171 171 ILE N N 15 124.685 0.028 . 1 . . 1418 . . 171 ILE N . 53407 1 772 . 1 . 1 172 172 PRO C C 13 176.467 . . 1 . . 666 . . 172 PRO C . 53407 1 773 . 1 . 1 172 172 PRO N N 15 140.419 . . 1 . . 1421 . . 172 PRO N . 53407 1 774 . 1 . 1 173 173 ALA H H 1 8.394 0.002 . 1 . . 1423 . . 173 ALA H . 53407 1 775 . 1 . 1 173 173 ALA C C 13 177.709 0.012 . 1 . . 1424 . . 173 ALA C . 53407 1 776 . 1 . 1 173 173 ALA CA C 13 52.381 0.012 . 1 . . 1425 . . 173 ALA CA . 53407 1 777 . 1 . 1 173 173 ALA CB C 13 19.346 . . 1 . . 444 . . 173 ALA CB . 53407 1 778 . 1 . 1 173 173 ALA N N 15 124.750 0.008 . 1 . . 1422 . . 173 ALA N . 53407 1 779 . 1 . 1 174 174 LYS H H 1 8.290 0.002 . 1 . . 1426 . . 174 LYS H . 53407 1 780 . 1 . 1 174 174 LYS C C 13 175.938 0.007 . 1 . . 1428 . . 174 LYS C . 53407 1 781 . 1 . 1 174 174 LYS CA C 13 55.931 0.03 . 1 . . 1429 . . 174 LYS CA . 53407 1 782 . 1 . 1 174 174 LYS CB C 13 33.255 . . 1 . . 445 . . 174 LYS CB . 53407 1 783 . 1 . 1 174 174 LYS N N 15 121.097 0.009 . 1 . . 1427 . . 174 LYS N . 53407 1 784 . 1 . 1 175 175 ALA H H 1 8.376 0.004 . 1 . . 1430 . . 175 ALA H . 53407 1 785 . 1 . 1 175 175 ALA C C 13 175.002 0.004 . 1 . . 1432 . . 175 ALA C . 53407 1 786 . 1 . 1 175 175 ALA CA C 13 50.433 0.026 . 1 . . 1433 . . 175 ALA CA . 53407 1 787 . 1 . 1 175 175 ALA CB C 13 18.156 . . 1 . . 446 . . 175 ALA CB . 53407 1 788 . 1 . 1 175 175 ALA N N 15 127.420 0.014 . 1 . . 1431 . . 175 ALA N . 53407 1 789 . 1 . 1 176 176 PRO N N 15 136.781 . . 1 . . 667 . . 176 PRO N . 53407 1 790 . 1 . 1 179 179 PRO C C 13 176.855 . . 1 . . 668 . . 179 PRO C . 53407 1 791 . 1 . 1 180 180 LYS H H 1 8.417 0.002 . 1 . . 1834 . . 180 LYS H . 53407 1 792 . 1 . 1 180 180 LYS C C 13 176.046 0.009 . 1 . . 534 . . 180 LYS C . 53407 1 793 . 1 . 1 180 180 LYS CA C 13 56.088 0.01 . 1 . . 535 . . 180 LYS CA . 53407 1 794 . 1 . 1 180 180 LYS CB C 13 33.185 . . 1 . . 536 . . 180 LYS CB . 53407 1 795 . 1 . 1 180 180 LYS N N 15 122.088 0.002 . 1 . . 1835 . . 180 LYS N . 53407 1 796 . 1 . 1 181 181 ALA H H 1 8.362 0.003 . 1 . . 1434 . . 181 ALA H . 53407 1 797 . 1 . 1 181 181 ALA C C 13 175.000 0.005 . 1 . . 1436 . . 181 ALA C . 53407 1 798 . 1 . 1 181 181 ALA CA C 13 50.398 0.008 . 1 . . 1437 . . 181 ALA CA . 53407 1 799 . 1 . 1 181 181 ALA CB C 13 18.229 . . 1 . . 533 . . 181 ALA CB . 53407 1 800 . 1 . 1 181 181 ALA N N 15 127.102 0.012 . 1 . . 1435 . . 181 ALA N . 53407 1 801 . 1 . 1 182 182 PRO N N 15 136.678 . . 1 . . 669 . . 182 PRO N . 53407 1 802 . 1 . 1 183 183 PRO C C 13 177.176 . . 1 . . 670 . . 183 PRO C . 53407 1 803 . 1 . 1 184 184 SER H H 1 8.506 0.003 . 1 . . 1438 . . 184 SER H . 53407 1 804 . 1 . 1 184 184 SER C C 13 174.857 0.004 . 1 . . 1440 . . 184 SER C . 53407 1 805 . 1 . 1 184 184 SER CA C 13 58.395 0.021 . 1 . . 1441 . . 184 SER CA . 53407 1 806 . 1 . 1 184 184 SER CB C 13 63.831 . . 1 . . 449 . . 184 SER CB . 53407 1 807 . 1 . 1 184 184 SER N N 15 116.371 0.017 . 1 . . 1439 . . 184 SER N . 53407 1 808 . 1 . 1 185 185 SER H H 1 8.448 0.0 . 1 . . 1442 . . 185 SER H . 53407 1 809 . 1 . 1 185 185 SER C C 13 174.921 0.012 . 1 . . 1444 . . 185 SER C . 53407 1 810 . 1 . 1 185 185 SER CA C 13 58.526 0.012 . 1 . . 1445 . . 185 SER CA . 53407 1 811 . 1 . 1 185 185 SER CB C 13 63.948 . . 1 . . 450 . . 185 SER CB . 53407 1 812 . 1 . 1 185 185 SER N N 15 117.832 0.004 . 1 . . 1443 . . 185 SER N . 53407 1 813 . 1 . 1 186 186 GLY H H 1 8.393 0.001 . 1 . . 1446 . . 186 GLY H . 53407 1 814 . 1 . 1 186 186 GLY C C 13 173.717 0.013 . 1 . . 451 . . 186 GLY C . 53407 1 815 . 1 . 1 186 186 GLY CA C 13 45.072 0.012 . 1 . . 452 . . 186 GLY CA . 53407 1 816 . 1 . 1 186 186 GLY N N 15 110.731 0.006 . 1 . . 1447 . . 186 GLY N . 53407 1 817 . 1 . 1 187 187 GLU H H 1 8.231 0.002 . 1 . . 1448 . . 187 GLU H . 53407 1 818 . 1 . 1 187 187 GLU C C 13 174.220 0.013 . 1 . . 1450 . . 187 GLU C . 53407 1 819 . 1 . 1 187 187 GLU CA C 13 54.282 0.016 . 1 . . 1451 . . 187 GLU CA . 53407 1 820 . 1 . 1 187 187 GLU CB C 13 29.862 . . 1 . . 453 . . 187 GLU CB . 53407 1 821 . 1 . 1 187 187 GLU N N 15 121.888 0.009 . 1 . . 1449 . . 187 GLU N . 53407 1 822 . 1 . 1 188 188 PRO N N 15 139.077 0.015 . 1 . . 1452 . . 188 PRO N . 53407 1 823 . 1 . 1 189 189 PRO C C 13 176.941 . . 1 . . 671 . . 189 PRO C . 53407 1 824 . 1 . 1 190 190 LYS H H 1 8.493 0.001 . 1 . . 1453 . . 190 LYS H . 53407 1 825 . 1 . 1 190 190 LYS C C 13 176.621 0.007 . 1 . . 1455 . . 190 LYS C . 53407 1 826 . 1 . 1 190 190 LYS CA C 13 56.063 0.012 . 1 . . 1456 . . 190 LYS CA . 53407 1 827 . 1 . 1 190 190 LYS CB C 13 33.169 . . 1 . . 447 . . 190 LYS CB . 53407 1 828 . 1 . 1 190 190 LYS N N 15 122.089 0.009 . 1 . . 1454 . . 190 LYS N . 53407 1 829 . 1 . 1 191 191 ALA H H 1 8.452 0.002 . 1 . . 1457 . . 191 ALA H . 53407 1 830 . 1 . 1 191 191 ALA C C 13 178.347 0.003 . 1 . . 1459 . . 191 ALA C . 53407 1 831 . 1 . 1 191 191 ALA CA C 13 52.839 0.01 . 1 . . 1460 . . 191 ALA CA . 53407 1 832 . 1 . 1 191 191 ALA CB C 13 19.206 . . 1 . . 448 . . 191 ALA CB . 53407 1 833 . 1 . 1 191 191 ALA N N 15 125.647 0.01 . 1 . . 1458 . . 191 ALA N . 53407 1 834 . 1 . 1 192 192 GLY H H 1 8.443 0.003 . 1 . . 1461 . . 192 GLY H . 53407 1 835 . 1 . 1 192 192 GLY C C 13 174.000 0.012 . 1 . . 462 . . 192 GLY C . 53407 1 836 . 1 . 1 192 192 GLY CA C 13 45.287 0.007 . 1 . . 463 . . 192 GLY CA . 53407 1 837 . 1 . 1 192 192 GLY N N 15 108.436 0.01 . 1 . . 1462 . . 192 GLY N . 53407 1 838 . 1 . 1 193 193 ASP H H 1 8.198 0.002 . 1 . . 1463 . . 193 ASP H . 53407 1 839 . 1 . 1 193 193 ASP C C 13 176.726 0.009 . 1 . . 1465 . . 193 ASP C . 53407 1 840 . 1 . 1 193 193 ASP CA C 13 54.517 0.006 . 1 . . 1466 . . 193 ASP CA . 53407 1 841 . 1 . 1 193 193 ASP CB C 13 41.320 . . 1 . . 461 . . 193 ASP CB . 53407 1 842 . 1 . 1 193 193 ASP N N 15 120.459 0.004 . 1 . . 1464 . . 193 ASP N . 53407 1 843 . 1 . 1 194 194 ARG H H 1 8.468 0.002 . 1 . . 1467 . . 194 ARG H . 53407 1 844 . 1 . 1 194 194 ARG C C 13 176.713 0.016 . 1 . . 1469 . . 194 ARG C . 53407 1 845 . 1 . 1 194 194 ARG CA C 13 56.087 0.023 . 1 . . 1470 . . 194 ARG CA . 53407 1 846 . 1 . 1 194 194 ARG CB C 13 30.409 . . 1 . . 460 . . 194 ARG CB . 53407 1 847 . 1 . 1 194 194 ARG N N 15 121.834 0.003 . 1 . . 1468 . . 194 ARG N . 53407 1 848 . 1 . 1 195 195 SER H H 1 8.444 0.003 . 1 . . 1471 . . 195 SER H . 53407 1 849 . 1 . 1 195 195 SER C C 13 175.273 0.008 . 1 . . 1473 . . 195 SER C . 53407 1 850 . 1 . 1 195 195 SER CA C 13 59.279 0.024 . 1 . . 1474 . . 195 SER CA . 53407 1 851 . 1 . 1 195 195 SER CB C 13 63.767 . . 1 . . 454 . . 195 SER CB . 53407 1 852 . 1 . 1 195 195 SER N N 15 117.047 0.013 . 1 . . 1472 . . 195 SER N . 53407 1 853 . 1 . 1 196 196 GLY H H 1 8.465 0.001 . 1 . . 1476 . . 196 GLY H . 53407 1 854 . 1 . 1 196 196 GLY C C 13 173.844 0.03 . 1 . . 455 . . 196 GLY C . 53407 1 855 . 1 . 1 196 196 GLY CA C 13 45.293 0.019 . 1 . . 456 . . 196 GLY CA . 53407 1 856 . 1 . 1 196 196 GLY N N 15 110.787 0.007 . 1 . . 1475 . . 196 GLY N . 53407 1 857 . 1 . 1 197 197 TYR H H 1 8.048 0.001 . 1 . . 1477 . . 197 TYR H . 53407 1 858 . 1 . 1 197 197 TYR C C 13 175.682 0.008 . 1 . . 1479 . . 197 TYR C . 53407 1 859 . 1 . 1 197 197 TYR CA C 13 58.154 0.009 . 1 . . 1480 . . 197 TYR CA . 53407 1 860 . 1 . 1 197 197 TYR CB C 13 39.030 . . 1 . . 457 . . 197 TYR CB . 53407 1 861 . 1 . 1 197 197 TYR N N 15 120.501 0.006 . 1 . . 1478 . . 197 TYR N . 53407 1 862 . 1 . 1 198 198 SER H H 1 8.078 0.001 . 1 . . 1481 . . 198 SER H . 53407 1 863 . 1 . 1 198 198 SER C C 13 173.113 0.007 . 1 . . 1483 . . 198 SER C . 53407 1 864 . 1 . 1 198 198 SER CA C 13 57.660 0.009 . 1 . . 1484 . . 198 SER CA . 53407 1 865 . 1 . 1 198 198 SER CB C 13 64.101 . . 1 . . 458 . . 198 SER CB . 53407 1 866 . 1 . 1 198 198 SER N N 15 119.022 0.024 . 1 . . 1482 . . 198 SER N . 53407 1 867 . 1 . 1 199 199 ALA H H 1 8.291 0.002 . 1 . . 1485 . . 199 ALA H . 53407 1 868 . 1 . 1 199 199 ALA C C 13 175.612 0.006 . 1 . . 1487 . . 199 ALA C . 53407 1 869 . 1 . 1 199 199 ALA CA C 13 50.578 0.03 . 1 . . 1488 . . 199 ALA CA . 53407 1 870 . 1 . 1 199 199 ALA CB C 13 18.046 . . 1 . . 459 . . 199 ALA CB . 53407 1 871 . 1 . 1 199 199 ALA N N 15 127.448 0.004 . 1 . . 1486 . . 199 ALA N . 53407 1 872 . 1 . 1 200 200 PRO C C 13 177.634 . . 1 . . 672 . . 200 PRO C . 53407 1 873 . 1 . 1 200 200 PRO N N 15 136.259 . . 1 . . 708 . . 200 PRO N . 53407 1 874 . 1 . 1 201 201 GLY H H 1 8.533 0.002 . 1 . . 1489 . . 201 GLY H . 53407 1 875 . 1 . 1 201 201 GLY C C 13 173.984 0.014 . 1 . . 548 . . 201 GLY C . 53407 1 876 . 1 . 1 201 201 GLY CA C 13 45.073 0.015 . 1 . . 549 . . 201 GLY CA . 53407 1 877 . 1 . 1 201 201 GLY N N 15 109.808 0.011 . 1 . . 1490 . . 201 GLY N . 53407 1 878 . 1 . 1 202 202 SER H H 1 8.173 0.003 . 1 . . 1491 . . 202 SER H . 53407 1 879 . 1 . 1 202 202 SER C C 13 172.821 0.007 . 1 . . 1493 . . 202 SER C . 53407 1 880 . 1 . 1 202 202 SER CA C 13 56.644 0.03 . 1 . . 1494 . . 202 SER CA . 53407 1 881 . 1 . 1 202 202 SER CB C 13 63.319 . . 1 . . 547 . . 202 SER CB . 53407 1 882 . 1 . 1 202 202 SER N N 15 116.820 0.005 . 1 . . 1492 . . 202 SER N . 53407 1 883 . 1 . 1 203 203 PRO C C 13 177.523 . . 1 . . 674 . . 203 PRO C . 53407 1 884 . 1 . 1 203 203 PRO N N 15 139.310 . . 1 . . 673 . . 203 PRO N . 53407 1 885 . 1 . 1 204 204 GLY H H 1 8.478 0.002 . 1 . . 1496 . . 204 GLY H . 53407 1 886 . 1 . 1 204 204 GLY C C 13 174.053 0.016 . 1 . . 464 . . 204 GLY C . 53407 1 887 . 1 . 1 204 204 GLY CA C 13 45.125 0.009 . 1 . . 465 . . 204 GLY CA . 53407 1 888 . 1 . 1 204 204 GLY N N 15 109.204 0.013 . 1 . . 1495 . . 204 GLY N . 53407 1 889 . 1 . 1 205 205 THR H H 1 8.076 0.003 . 1 . . 1497 . . 205 THR H . 53407 1 890 . 1 . 1 205 205 THR C C 13 173.231 0.018 . 1 . . 1499 . . 205 THR C . 53407 1 891 . 1 . 1 205 205 THR CA C 13 59.871 0.012 . 1 . . 1500 . . 205 THR CA . 53407 1 892 . 1 . 1 205 205 THR CB C 13 69.730 . . 1 . . 466 . . 205 THR CB . 53407 1 893 . 1 . 1 205 205 THR N N 15 115.667 0.021 . 1 . . 1498 . . 205 THR N . 53407 1 894 . 1 . 1 206 206 PRO C C 13 177.739 . . 1 . . 675 . . 206 PRO C . 53407 1 895 . 1 . 1 206 206 PRO N N 15 139.364 0.014 . 1 . . 1501 . . 206 PRO N . 53407 1 896 . 1 . 1 207 207 GLY H H 1 8.597 0.002 . 1 . . 1784 . . 207 GLY H . 53407 1 897 . 1 . 1 207 207 GLY C C 13 174.486 0.003 . 1 . . 299 . . 207 GLY C . 53407 1 898 . 1 . 1 207 207 GLY CA C 13 45.360 0.003 . 1 . . 301 . . 207 GLY CA . 53407 1 899 . 1 . 1 207 207 GLY N N 15 109.667 0.015 . 1 . . 1785 . . 207 GLY N . 53407 1 900 . 1 . 1 208 208 SER H H 1 8.185 0.004 . 1 . . 1502 . . 208 SER H . 53407 1 901 . 1 . 1 208 208 SER C C 13 174.951 0.007 . 1 . . 1504 . . 208 SER C . 53407 1 902 . 1 . 1 208 208 SER CA C 13 58.673 0.001 . 1 . . 1505 . . 208 SER CA . 53407 1 903 . 1 . 1 208 208 SER CB C 13 63.911 . . 1 . . 300 . . 208 SER CB . 53407 1 904 . 1 . 1 208 208 SER N N 15 115.709 0.009 . 1 . . 1503 . . 208 SER N . 53407 1 905 . 1 . 1 209 209 ARG H H 1 8.444 0.004 . 1 . . 302 . . 209 ARG H . 53407 1 906 . 1 . 1 209 209 ARG C C 13 176.481 0.0 . 1 . . 518 . . 209 ARG C . 53407 1 907 . 1 . 1 209 209 ARG CA C 13 56.370 . . 1 . . 519 . . 209 ARG CA . 53407 1 908 . 1 . 1 209 209 ARG CB C 13 30.710 . . 1 . . 520 . . 209 ARG CB . 53407 1 909 . 1 . 1 209 209 ARG N N 15 122.924 0.003 . 1 . . 303 . . 209 ARG N . 53407 1 910 . 1 . 1 210 210 SER H H 1 8.327 0.006 . 1 . . 1819 . . 210 SER H . 53407 1 911 . 1 . 1 210 210 SER C C 13 174.489 0.017 . 1 . . 521 . . 210 SER C . 53407 1 912 . 1 . 1 210 210 SER CA C 13 58.449 . . 1 . . 522 . . 210 SER CA . 53407 1 913 . 1 . 1 210 210 SER CB C 13 63.722 . . 1 . . 523 . . 210 SER CB . 53407 1 914 . 1 . 1 210 210 SER N N 15 116.879 0.03 . 1 . . 1818 . . 210 SER N . 53407 1 915 . 1 . 1 211 211 ARG H H 1 8.428 0.004 . 1 . . 1837 . . 211 ARG H . 53407 1 916 . 1 . 1 211 211 ARG C C 13 176.070 0.195 . 1 . . 517 . . 211 ARG C . 53407 1 917 . 1 . 1 211 211 ARG CA C 13 56.111 0.047 . 1 . . 524 . . 211 ARG CA . 53407 1 918 . 1 . 1 211 211 ARG CB C 13 30.887 . . 1 . . 525 . . 211 ARG CB . 53407 1 919 . 1 . 1 211 211 ARG N N 15 123.121 0.036 . 1 . . 1836 . . 211 ARG N . 53407 1 920 . 1 . 1 212 212 THR H H 1 8.299 0.003 . 1 . . 1838 . . 212 THR H . 53407 1 921 . 1 . 1 212 212 THR C C 13 172.818 0.021 . 1 . . 526 . . 212 THR C . 53407 1 922 . 1 . 1 212 212 THR CA C 13 59.928 0.015 . 1 . . 527 . . 212 THR CA . 53407 1 923 . 1 . 1 212 212 THR CB C 13 69.852 . . 1 . . 528 . . 212 THR CB . 53407 1 924 . 1 . 1 212 212 THR N N 15 118.310 0.011 . 1 . . 1839 . . 212 THR N . 53407 1 925 . 1 . 1 213 213 PRO C C 13 176.794 . . 1 . . 677 . . 213 PRO C . 53407 1 926 . 1 . 1 213 213 PRO N N 15 138.062 . . 1 . . 676 . . 213 PRO N . 53407 1 927 . 1 . 1 214 214 SER H H 1 8.439 0.004 . 1 . . 1507 . . 214 SER H . 53407 1 928 . 1 . 1 214 214 SER C C 13 174.079 0.043 . 1 . . 1508 . . 214 SER C . 53407 1 929 . 1 . 1 214 214 SER CA C 13 58.233 0.008 . 1 . . 1509 . . 214 SER CA . 53407 1 930 . 1 . 1 214 214 SER CB C 13 63.842 . . 1 . . 576 . . 214 SER CB . 53407 1 931 . 1 . 1 214 214 SER N N 15 116.739 0.019 . 1 . . 1506 . . 214 SER N . 53407 1 932 . 1 . 1 215 215 LEU H H 1 8.304 0.003 . 1 . . 1510 . . 215 LEU H . 53407 1 933 . 1 . 1 215 215 LEU C C 13 175.144 0.037 . 1 . . 1512 . . 215 LEU C . 53407 1 934 . 1 . 1 215 215 LEU CA C 13 52.985 0.007 . 1 . . 1513 . . 215 LEU CA . 53407 1 935 . 1 . 1 215 215 LEU CB C 13 41.974 . . 1 . . 577 . . 215 LEU CB . 53407 1 936 . 1 . 1 215 215 LEU N N 15 125.583 0.007 . 1 . . 1511 . . 215 LEU N . 53407 1 937 . 1 . 1 216 216 PRO N N 15 136.423 0.003 . 1 . . 1514 . . 216 PRO N . 53407 1 938 . 1 . 1 219 219 PRO C C 13 177.124 . . 1 . . 678 . . 219 PRO C . 53407 1 939 . 1 . 1 220 220 THR H H 1 8.274 0.003 . 1 . . 1515 . . 220 THR H . 53407 1 940 . 1 . 1 220 220 THR C C 13 174.466 0.013 . 1 . . 1517 . . 220 THR C . 53407 1 941 . 1 . 1 220 220 THR CA C 13 61.944 0.021 . 1 . . 1518 . . 220 THR CA . 53407 1 942 . 1 . 1 220 220 THR CB C 13 69.862 . . 1 . . 554 . . 220 THR CB . 53407 1 943 . 1 . 1 220 220 THR N N 15 115.044 0.022 . 1 . . 1516 . . 220 THR N . 53407 1 944 . 1 . 1 221 221 ARG H H 1 8.412 0.002 . 1 . . 1519 . . 221 ARG H . 53407 1 945 . 1 . 1 221 221 ARG C C 13 175.873 0.026 . 1 . . 1521 . . 221 ARG C . 53407 1 946 . 1 . 1 221 221 ARG CA C 13 55.773 0.021 . 1 . . 1522 . . 221 ARG CA . 53407 1 947 . 1 . 1 221 221 ARG CB C 13 30.984 . . 1 . . 553 . . 221 ARG CB . 53407 1 948 . 1 . 1 221 221 ARG N N 15 123.779 0.013 . 1 . . 1520 . . 221 ARG N . 53407 1 949 . 1 . 1 222 222 GLU H H 1 8.490 0.0 . 1 . . 1840 . . 222 GLU H . 53407 1 950 . 1 . 1 222 222 GLU C C 13 174.445 0.0 . 1 . . 550 . . 222 GLU C . 53407 1 951 . 1 . 1 222 222 GLU CA C 13 54.377 0.023 . 1 . . 551 . . 222 GLU CA . 53407 1 952 . 1 . 1 222 222 GLU CB C 13 29.784 . . 1 . . 552 . . 222 GLU CB . 53407 1 953 . 1 . 1 222 222 GLU N N 15 124.064 0.006 . 1 . . 1841 . . 222 GLU N . 53407 1 954 . 1 . 1 223 223 PRO C C 13 176.811 . . 1 . . 680 . . 223 PRO C . 53407 1 955 . 1 . 1 223 223 PRO N N 15 137.629 . . 1 . . 679 . . 223 PRO N . 53407 1 956 . 1 . 1 224 224 LYS H H 1 8.432 0.003 . 1 . . 1523 . . 224 LYS H . 53407 1 957 . 1 . 1 224 224 LYS C C 13 176.634 0.007 . 1 . . 42 . . 224 LYS C . 53407 1 958 . 1 . 1 224 224 LYS CA C 13 56.376 0.005 . 1 . . 40 . . 224 LYS CA . 53407 1 959 . 1 . 1 224 224 LYS CB C 13 33.045 . . 1 . . 41 . . 224 LYS CB . 53407 1 960 . 1 . 1 224 224 LYS N N 15 121.907 0.009 . 1 . . 1524 . . 224 LYS N . 53407 1 961 . 1 . 1 225 225 LYS H H 1 8.406 0.004 . 1 . . 1844 . . 225 LYS H . 53407 1 962 . 1 . 1 225 225 LYS C C 13 176.401 0.008 . 1 . . 37 . . 225 LYS C . 53407 1 963 . 1 . 1 225 225 LYS CA C 13 56.215 0.0 . 1 . . 38 . . 225 LYS CA . 53407 1 964 . 1 . 1 225 225 LYS CB C 13 33.132 . . 1 . . 39 . . 225 LYS CB . 53407 1 965 . 1 . 1 225 225 LYS N N 15 123.727 0.005 . 1 . . 1845 . . 225 LYS N . 53407 1 966 . 1 . 1 226 226 VAL H H 1 8.218 0.005 . 1 . . 1525 . . 226 VAL H . 53407 1 967 . 1 . 1 226 226 VAL C C 13 175.637 0.008 . 1 . . 1527 . . 226 VAL C . 53407 1 968 . 1 . 1 226 226 VAL CA C 13 62.048 0.0 . 1 . . 1528 . . 226 VAL CA . 53407 1 969 . 1 . 1 226 226 VAL CB C 13 33.057 . . 1 . . 36 . . 226 VAL CB . 53407 1 970 . 1 . 1 226 226 VAL N N 15 122.571 0.025 . 1 . . 1526 . . 226 VAL N . 53407 1 971 . 1 . 1 227 227 ALA H H 1 8.425 0.003 . 1 . . 1529 . . 227 ALA H . 53407 1 972 . 1 . 1 227 227 ALA C C 13 177.415 0.03 . 1 . . 1531 . . 227 ALA C . 53407 1 973 . 1 . 1 227 227 ALA CA C 13 52.300 0.007 . 1 . . 1532 . . 227 ALA CA . 53407 1 974 . 1 . 1 227 227 ALA CB C 13 19.334 . . 1 . . 49 . . 227 ALA CB . 53407 1 975 . 1 . 1 227 227 ALA N N 15 128.685 0.022 . 1 . . 1530 . . 227 ALA N . 53407 1 976 . 1 . 1 228 228 VAL H H 1 8.204 0.004 . 1 . . 1848 . . 228 VAL H . 53407 1 977 . 1 . 1 228 228 VAL C C 13 176.033 0.008 . 1 . . 34 . . 228 VAL C . 53407 1 978 . 1 . 1 228 228 VAL CA C 13 62.297 0.014 . 1 . . 35 . . 228 VAL CA . 53407 1 979 . 1 . 1 228 228 VAL CB C 13 33.010 . . 1 . . 45 . . 228 VAL CB . 53407 1 980 . 1 . 1 228 228 VAL N N 15 120.995 0.028 . 1 . . 1849 . . 228 VAL N . 53407 1 981 . 1 . 1 229 229 VAL H H 1 8.340 0.002 . 1 . . 1803 . . 229 VAL H . 53407 1 982 . 1 . 1 229 229 VAL C C 13 175.858 0.009 . 1 . . 43 . . 229 VAL C . 53407 1 983 . 1 . 1 229 229 VAL CA C 13 62.277 0.005 . 1 . . 44 . . 229 VAL CA . 53407 1 984 . 1 . 1 229 229 VAL CB C 13 32.801 . . 1 . . 46 . . 229 VAL CB . 53407 1 985 . 1 . 1 229 229 VAL N N 15 125.836 0.03 . 1 . . 1802 . . 229 VAL N . 53407 1 986 . 1 . 1 230 230 ARG H H 1 8.493 0.004 . 1 . . 1533 . . 230 ARG H . 53407 1 987 . 1 . 1 230 230 ARG C C 13 175.394 0.007 . 1 . . 1535 . . 230 ARG C . 53407 1 988 . 1 . 1 230 230 ARG CA C 13 55.630 0.033 . 1 . . 1536 . . 230 ARG CA . 53407 1 989 . 1 . 1 230 230 ARG CB C 13 30.982 . . 1 . . 47 . . 230 ARG CB . 53407 1 990 . 1 . 1 230 230 ARG N N 15 126.420 0.02 . 1 . . 1534 . . 230 ARG N . 53407 1 991 . 1 . 1 231 231 ALA H H 1 8.408 0.004 . 1 . . 1537 . . 231 ALA H . 53407 1 992 . 1 . 1 231 231 ALA C C 13 174.910 0.008 . 1 . . 1539 . . 231 ALA C . 53407 1 993 . 1 . 1 231 231 ALA CA C 13 50.415 0.017 . 1 . . 1540 . . 231 ALA CA . 53407 1 994 . 1 . 1 231 231 ALA CB C 13 18.170 . . 1 . . 48 . . 231 ALA CB . 53407 1 995 . 1 . 1 231 231 ALA N N 15 127.543 0.015 . 1 . . 1538 . . 231 ALA N . 53407 1 996 . 1 . 1 232 232 PRO N N 15 136.882 0.009 . 1 . . 1541 . . 232 PRO N . 53407 1 997 . 1 . 1 233 233 PRO C C 13 176.412 . . 1 . . 681 . . 233 PRO C . 53407 1 998 . 1 . 1 234 234 LYS H H 1 8.383 0.002 . 1 . . 1850 . . 234 LYS H . 53407 1 999 . 1 . 1 234 234 LYS C C 13 176.116 0.006 . 1 . . 529 . . 234 LYS C . 53407 1 1000 . 1 . 1 234 234 LYS CA C 13 56.042 0.032 . 1 . . 530 . . 234 LYS CA . 53407 1 1001 . 1 . 1 234 234 LYS CB C 13 33.133 . . 1 . . 531 . . 234 LYS CB . 53407 1 1002 . 1 . 1 234 234 LYS N N 15 121.890 0.009 . 1 . . 1851 . . 234 LYS N . 53407 1 1003 . 1 . 1 235 235 ALA H H 1 8.426 0.004 . 1 . . 1542 . . 235 ALA H . 53407 1 1004 . 1 . 1 235 235 ALA C C 13 175.596 0.012 . 1 . . 1544 . . 235 ALA C . 53407 1 1005 . 1 . 1 235 235 ALA CA C 13 50.486 0.003 . 1 . . 1545 . . 235 ALA CA . 53407 1 1006 . 1 . 1 235 235 ALA CB C 13 18.133 . . 1 . . 532 . . 235 ALA CB . 53407 1 1007 . 1 . 1 235 235 ALA N N 15 127.290 0.022 . 1 . . 1543 . . 235 ALA N . 53407 1 1008 . 1 . 1 236 236 PRO N N 15 135.749 0.008 . 1 . . 1546 . . 236 PRO N . 53407 1 1009 . 1 . 1 238 238 SER C C 13 174.540 . . 1 . . 682 . . 238 SER C . 53407 1 1010 . 1 . 1 239 239 ALA H H 1 8.352 . . 1 . . 28 . . 239 ALA H . 53407 1 1011 . 1 . 1 239 239 ALA C C 13 178.092 . . 1 . . 478 . . 239 ALA C . 53407 1 1012 . 1 . 1 239 239 ALA CA C 13 53.093 . . 1 . . 479 . . 239 ALA CA . 53407 1 1013 . 1 . 1 239 239 ALA CB C 13 19.114 . . 1 . . 480 . . 239 ALA CB . 53407 1 1014 . 1 . 1 239 239 ALA N N 15 126.046 . . 1 . . 29 . . 239 ALA N . 53407 1 1015 . 1 . 1 240 240 LYS H H 1 8.267 0.001 . 1 . . 1852 . . 240 LYS H . 53407 1 1016 . 1 . 1 240 240 LYS C C 13 177.008 0.009 . 1 . . 475 . . 240 LYS C . 53407 1 1017 . 1 . 1 240 240 LYS CA C 13 56.645 0.011 . 1 . . 476 . . 240 LYS CA . 53407 1 1018 . 1 . 1 240 240 LYS CB C 13 32.883 . . 1 . . 477 . . 240 LYS CB . 53407 1 1019 . 1 . 1 240 240 LYS N N 15 120.136 0.005 . 1 . . 1853 . . 240 LYS N . 53407 1 1020 . 1 . 1 241 241 SER H H 1 8.254 0.004 . 1 . . 1547 . . 241 SER H . 53407 1 1021 . 1 . 1 241 241 SER C C 13 174.775 0.013 . 1 . . 1549 . . 241 SER C . 53407 1 1022 . 1 . 1 241 241 SER CA C 13 58.621 0.011 . 1 . . 1550 . . 241 SER CA . 53407 1 1023 . 1 . 1 241 241 SER CB C 13 63.718 . . 1 . . 467 . . 241 SER CB . 53407 1 1024 . 1 . 1 241 241 SER N N 15 116.695 0.016 . 1 . . 1548 . . 241 SER N . 53407 1 1025 . 1 . 1 242 242 ARG H H 1 8.358 0.001 . 1 . . 1551 . . 242 ARG H . 53407 1 1026 . 1 . 1 242 242 ARG C C 13 176.289 0.049 . 1 . . 1553 . . 242 ARG C . 53407 1 1027 . 1 . 1 242 242 ARG CA C 13 56.344 0.04 . 1 . . 1554 . . 242 ARG CA . 53407 1 1028 . 1 . 1 242 242 ARG CB C 13 30.621 . . 1 . . 468 . . 242 ARG CB . 53407 1 1029 . 1 . 1 242 242 ARG N N 15 123.055 0.009 . 1 . . 1552 . . 242 ARG N . 53407 1 1030 . 1 . 1 243 243 LEU H H 1 8.196 0.002 . 1 . . 1555 . . 243 LEU H . 53407 1 1031 . 1 . 1 243 243 LEU C C 13 177.356 0.008 . 1 . . 1557 . . 243 LEU C . 53407 1 1032 . 1 . 1 243 243 LEU CA C 13 55.288 0.007 . 1 . . 1558 . . 243 LEU CA . 53407 1 1033 . 1 . 1 243 243 LEU CB C 13 42.353 . . 1 . . 469 . . 243 LEU CB . 53407 1 1034 . 1 . 1 243 243 LEU N N 15 122.775 0.012 . 1 . . 1556 . . 243 LEU N . 53407 1 1035 . 1 . 1 244 244 GLN H H 1 8.397 0.002 . 1 . . 1854 . . 244 GLN H . 53407 1 1036 . 1 . 1 244 244 GLN C C 13 175.989 0.013 . 1 . . 470 . . 244 GLN C . 53407 1 1037 . 1 . 1 244 244 GLN CA C 13 55.794 0.048 . 1 . . 471 . . 244 GLN CA . 53407 1 1038 . 1 . 1 244 244 GLN CB C 13 29.530 . . 1 . . 472 . . 244 GLN CB . 53407 1 1039 . 1 . 1 244 244 GLN N N 15 121.526 0.021 . 1 . . 1855 . . 244 GLN N . 53407 1 1040 . 1 . 1 245 245 THR H H 1 8.149 0.005 . 1 . . 1559 . . 245 THR H . 53407 1 1041 . 1 . 1 245 245 THR C C 13 173.893 0.011 . 1 . . 1561 . . 245 THR C . 53407 1 1042 . 1 . 1 245 245 THR CA C 13 61.657 0.024 . 1 . . 1562 . . 245 THR CA . 53407 1 1043 . 1 . 1 245 245 THR CB C 13 69.895 . . 1 . . 473 . . 245 THR CB . 53407 1 1044 . 1 . 1 245 245 THR N N 15 115.709 0.035 . 1 . . 1560 . . 245 THR N . 53407 1 1045 . 1 . 1 246 246 ALA H H 1 8.323 0.003 . 1 . . 1563 . . 246 ALA H . 53407 1 1046 . 1 . 1 246 246 ALA C C 13 175.393 0.007 . 1 . . 1565 . . 246 ALA C . 53407 1 1047 . 1 . 1 246 246 ALA CA C 13 50.582 0.003 . 1 . . 1566 . . 246 ALA CA . 53407 1 1048 . 1 . 1 246 246 ALA CB C 13 18.240 . . 1 . . 474 . . 246 ALA CB . 53407 1 1049 . 1 . 1 246 246 ALA N N 15 128.005 0.013 . 1 . . 1564 . . 246 ALA N . 53407 1 1050 . 1 . 1 247 247 PRO C C 13 176.628 . . 1 . . 806 . . 247 PRO C . 53407 1 1051 . 1 . 1 247 247 PRO N N 15 135.583 . . 1 . . 683 . . 247 PRO N . 53407 1 1052 . 1 . 1 248 248 VAL H H 1 8.247 0.003 . 1 . . 1856 . . 248 VAL H . 53407 1 1053 . 1 . 1 248 248 VAL C C 13 174.583 0.008 . 1 . . 538 . . 248 VAL C . 53407 1 1054 . 1 . 1 248 248 VAL CA C 13 59.858 0.026 . 1 . . 539 . . 248 VAL CA . 53407 1 1055 . 1 . 1 248 248 VAL CB C 13 32.573 . . 1 . . 540 . . 248 VAL CB . 53407 1 1056 . 1 . 1 248 248 VAL N N 15 122.048 0.034 . 1 . . 1857 . . 248 VAL N . 53407 1 1057 . 1 . 1 249 249 PRO C C 13 176.628 . . 1 . . 684 . . 249 PRO C . 53407 1 1058 . 1 . 1 249 249 PRO N N 15 140.398 . . 1 . . 808 . . 249 PRO N . 53407 1 1059 . 1 . 1 250 250 MET H H 1 8.448 0.002 . 1 . . 1567 . . 250 MET H . 53407 1 1060 . 1 . 1 250 250 MET C C 13 174.535 0.01 . 1 . . 1569 . . 250 MET C . 53407 1 1061 . 1 . 1 250 250 MET CA C 13 53.293 0.009 . 1 . . 1570 . . 250 MET CA . 53407 1 1062 . 1 . 1 250 250 MET CB C 13 32.351 . . 1 . . 546 . . 250 MET CB . 53407 1 1063 . 1 . 1 250 250 MET N N 15 122.094 0.011 . 1 . . 1568 . . 250 MET N . 53407 1 1064 . 1 . 1 251 251 PRO C C 13 176.387 . . 1 . . 686 . . 251 PRO C . 53407 1 1065 . 1 . 1 251 251 PRO N N 15 136.912 . . 1 . . 685 . . 251 PRO N . 53407 1 1066 . 1 . 1 252 252 ASP H H 1 8.444 0.001 . 1 . . 1571 . . 252 ASP H . 53407 1 1067 . 1 . 1 252 252 ASP C C 13 176.544 0.025 . 1 . . 1577 . . 252 ASP C . 53407 1 1068 . 1 . 1 252 252 ASP CA C 13 54.093 0.015 . 1 . . 1578 . . 252 ASP CA . 53407 1 1069 . 1 . 1 252 252 ASP CB C 13 41.055 . . 1 . . 481 . . 252 ASP CB . 53407 1 1070 . 1 . 1 252 252 ASP N N 15 120.523 0.018 . 1 . . 1572 . . 252 ASP N . 53407 1 1071 . 1 . 1 253 253 LEU H H 1 8.257 0.004 . 1 . . 1573 . . 253 LEU H . 53407 1 1072 . 1 . 1 253 253 LEU C C 13 177.762 0.013 . 1 . . 1575 . . 253 LEU C . 53407 1 1073 . 1 . 1 253 253 LEU CA C 13 55.453 0.043 . 1 . . 1576 . . 253 LEU CA . 53407 1 1074 . 1 . 1 253 253 LEU CB C 13 42.113 . . 1 . . 482 . . 253 LEU CB . 53407 1 1075 . 1 . 1 253 253 LEU N N 15 123.534 0.022 . 1 . . 1574 . . 253 LEU N . 53407 1 1076 . 1 . 1 254 254 LYS H H 1 8.306 0.001 . 1 . . 1858 . . 254 LYS H . 53407 1 1077 . 1 . 1 254 254 LYS C C 13 176.604 0.009 . 1 . . 483 . . 254 LYS C . 53407 1 1078 . 1 . 1 254 254 LYS CA C 13 56.923 0.01 . 1 . . 485 . . 254 LYS CA . 53407 1 1079 . 1 . 1 254 254 LYS CB C 13 32.777 . . 1 . . 484 . . 254 LYS CB . 53407 1 1080 . 1 . 1 254 254 LYS N N 15 120.586 0.018 . 1 . . 1859 . . 254 LYS N . 53407 1 1081 . 1 . 1 255 255 ASN H H 1 8.318 0.003 . 1 . . 1860 . . 255 ASN H . 53407 1 1082 . 1 . 1 255 255 ASN C C 13 175.209 0.003 . 1 . . 350 . . 255 ASN C . 53407 1 1083 . 1 . 1 255 255 ASN CA C 13 53.301 0.007 . 1 . . 486 . . 255 ASN CA . 53407 1 1084 . 1 . 1 255 255 ASN CB C 13 38.811 . . 1 . . 487 . . 255 ASN CB . 53407 1 1085 . 1 . 1 255 255 ASN N N 15 118.802 0.011 . 1 . . 1861 . . 255 ASN N . 53407 1 1086 . 1 . 1 256 256 VAL H H 1 8.003 0.001 . 1 . . 1862 . . 256 VAL H . 53407 1 1087 . 1 . 1 256 256 VAL C C 13 176.340 0.009 . 1 . . 490 . . 256 VAL C . 53407 1 1088 . 1 . 1 256 256 VAL CA C 13 62.692 0.008 . 1 . . 488 . . 256 VAL CA . 53407 1 1089 . 1 . 1 256 256 VAL CB C 13 32.621 . . 1 . . 489 . . 256 VAL CB . 53407 1 1090 . 1 . 1 256 256 VAL N N 15 120.394 0.008 . 1 . . 1863 . . 256 VAL N . 53407 1 1091 . 1 . 1 257 257 LYS H H 1 8.438 0.002 . 1 . . 1579 . . 257 LYS H . 53407 1 1092 . 1 . 1 257 257 LYS C C 13 176.769 0.026 . 1 . . 1581 . . 257 LYS C . 53407 1 1093 . 1 . 1 257 257 LYS CA C 13 56.454 0.008 . 1 . . 1582 . . 257 LYS CA . 53407 1 1094 . 1 . 1 257 257 LYS CB C 13 32.812 . . 1 . . 491 . . 257 LYS CB . 53407 1 1095 . 1 . 1 257 257 LYS N N 15 124.843 0.009 . 1 . . 1580 . . 257 LYS N . 53407 1 1096 . 1 . 1 258 258 SER H H 1 8.280 0.003 . 1 . . 1583 . . 258 SER H . 53407 1 1097 . 1 . 1 258 258 SER C C 13 174.544 . . 1 . . 492 . . 258 SER C . 53407 1 1098 . 1 . 1 258 258 SER CA C 13 58.393 . . 1 . . 493 . . 258 SER CA . 53407 1 1099 . 1 . 1 258 258 SER CB C 13 63.860 . . 1 . . 494 . . 258 SER CB . 53407 1 1100 . 1 . 1 258 258 SER N N 15 117.051 0.014 . 1 . . 1584 . . 258 SER N . 53407 1 1101 . 1 . 1 259 259 LYS H H 1 8.407 0.003 . 1 . . 1864 . . 259 LYS H . 53407 1 1102 . 1 . 1 259 259 LYS C C 13 176.642 0.002 . 1 . . 495 . . 259 LYS C . 53407 1 1103 . 1 . 1 259 259 LYS CA C 13 56.441 0.005 . 1 . . 496 . . 259 LYS CA . 53407 1 1104 . 1 . 1 259 259 LYS CB C 13 33.019 . . 1 . . 497 . . 259 LYS CB . 53407 1 1105 . 1 . 1 259 259 LYS N N 15 123.643 0.004 . 1 . . 1865 . . 259 LYS N . 53407 1 1106 . 1 . 1 260 260 ILE H H 1 8.173 0.003 . 1 . . 1585 . . 260 ILE H . 53407 1 1107 . 1 . 1 260 260 ILE C C 13 176.893 0.03 . 1 . . 1587 . . 260 ILE C . 53407 1 1108 . 1 . 1 260 260 ILE CA C 13 61.523 0.01 . 1 . . 1588 . . 260 ILE CA . 53407 1 1109 . 1 . 1 260 260 ILE CB C 13 38.494 . . 1 . . 498 . . 260 ILE CB . 53407 1 1110 . 1 . 1 260 260 ILE N N 15 122.130 0.019 . 1 . . 1586 . . 260 ILE N . 53407 1 1111 . 1 . 1 261 261 GLY H H 1 8.551 0.003 . 1 . . 1589 . . 261 GLY H . 53407 1 1112 . 1 . 1 261 261 GLY C C 13 173.947 0.015 . 1 . . 499 . . 261 GLY C . 53407 1 1113 . 1 . 1 261 261 GLY CA C 13 45.260 0.004 . 1 . . 500 . . 261 GLY CA . 53407 1 1114 . 1 . 1 261 261 GLY N N 15 113.444 0.014 . 1 . . 1590 . . 261 GLY N . 53407 1 1115 . 1 . 1 262 262 ALA H H 1 8.201 0.003 . 1 . . 1591 . . 262 ALA H . 53407 1 1116 . 1 . 1 262 262 ALA C C 13 178.301 0.012 . 1 . . 1593 . . 262 ALA C . 53407 1 1117 . 1 . 1 262 262 ALA CA C 13 52.787 0.019 . 1 . . 1594 . . 262 ALA CA . 53407 1 1118 . 1 . 1 262 262 ALA CB C 13 19.472 . . 1 . . 501 . . 262 ALA CB . 53407 1 1119 . 1 . 1 262 262 ALA N N 15 123.931 0.005 . 1 . . 1592 . . 262 ALA N . 53407 1 1120 . 1 . 1 263 263 THR H H 1 8.219 0.003 . 1 . . 1595 . . 263 THR H . 53407 1 1121 . 1 . 1 263 263 THR C C 13 174.901 0.011 . 1 . . 1597 . . 263 THR C . 53407 1 1122 . 1 . 1 263 263 THR CA C 13 62.209 0.019 . 1 . . 1598 . . 263 THR CA . 53407 1 1123 . 1 . 1 263 263 THR CB C 13 69.772 . . 1 . . 502 . . 263 THR CB . 53407 1 1124 . 1 . 1 263 263 THR N N 15 113.170 0.014 . 1 . . 1596 . . 263 THR N . 53407 1 1125 . 1 . 1 264 264 GLU H H 1 8.444 0.003 . 1 . . 1599 . . 264 GLU H . 53407 1 1126 . 1 . 1 264 264 GLU C C 13 176.225 0.038 . 1 . . 1601 . . 264 GLU C . 53407 1 1127 . 1 . 1 264 264 GLU CA C 13 56.921 0.032 . 1 . . 1602 . . 264 GLU CA . 53407 1 1128 . 1 . 1 264 264 GLU CB C 13 30.425 . . 1 . . 503 . . 264 GLU CB . 53407 1 1129 . 1 . 1 264 264 GLU N N 15 123.130 0.015 . 1 . . 1600 . . 264 GLU N . 53407 1 1130 . 1 . 1 265 265 ASN H H 1 8.487 0.001 . 1 . . 1603 . . 265 ASN H . 53407 1 1131 . 1 . 1 265 265 ASN C C 13 175.272 0.01 . 1 . . 1605 . . 265 ASN C . 53407 1 1132 . 1 . 1 265 265 ASN CA C 13 53.424 0.01 . 1 . . 1606 . . 265 ASN CA . 53407 1 1133 . 1 . 1 265 265 ASN CB C 13 38.726 . . 1 . . 504 . . 265 ASN CB . 53407 1 1134 . 1 . 1 265 265 ASN N N 15 119.545 0.015 . 1 . . 1604 . . 265 ASN N . 53407 1 1135 . 1 . 1 266 266 LEU H H 1 8.187 0.005 . 1 . . 1607 . . 266 LEU H . 53407 1 1136 . 1 . 1 266 266 LEU C C 13 177.464 0.005 . 1 . . 1609 . . 266 LEU C . 53407 1 1137 . 1 . 1 266 266 LEU CA C 13 55.437 0.01 . 1 . . 1610 . . 266 LEU CA . 53407 1 1138 . 1 . 1 266 266 LEU CB C 13 42.270 . . 1 . . 505 . . 266 LEU CB . 53407 1 1139 . 1 . 1 266 266 LEU N N 15 122.446 0.024 . 1 . . 1608 . . 266 LEU N . 53407 1 1140 . 1 . 1 267 267 LYS H H 1 8.212 0.002 . 1 . . 1611 . . 267 LYS H . 53407 1 1141 . 1 . 1 267 267 LYS C C 13 176.365 0.045 . 1 . . 1613 . . 267 LYS C . 53407 1 1142 . 1 . 1 267 267 LYS CA C 13 56.544 0.021 . 1 . . 1614 . . 267 LYS CA . 53407 1 1143 . 1 . 1 267 267 LYS CB C 13 32.837 . . 1 . . 506 . . 267 LYS CB . 53407 1 1144 . 1 . 1 267 267 LYS N N 15 121.116 0.023 . 1 . . 1612 . . 267 LYS N . 53407 1 1145 . 1 . 1 268 268 HIS H H 1 8.292 . . 1 . . 8 . . 268 HIS H . 53407 1 1146 . 1 . 1 268 268 HIS C C 13 174.674 . . 1 . . 510 . . 268 HIS C . 53407 1 1147 . 1 . 1 268 268 HIS CA C 13 55.525 . . 1 . . 511 . . 268 HIS CA . 53407 1 1148 . 1 . 1 268 268 HIS CB C 13 30.041 . . 1 . . 512 . . 268 HIS CB . 53407 1 1149 . 1 . 1 268 268 HIS N N 15 119.562 . . 1 . . 9 . . 268 HIS N . 53407 1 1150 . 1 . 1 269 269 GLN H H 1 8.398 . . 1 . . 6 . . 269 GLN H . 53407 1 1151 . 1 . 1 269 269 GLN C C 13 173.964 . . 1 . . 507 . . 269 GLN C . 53407 1 1152 . 1 . 1 269 269 GLN CA C 13 53.545 . . 1 . . 509 . . 269 GLN CA . 53407 1 1153 . 1 . 1 269 269 GLN CB C 13 28.923 . . 1 . . 508 . . 269 GLN CB . 53407 1 1154 . 1 . 1 269 269 GLN N N 15 123.072 . . 1 . . 7 . . 269 GLN N . 53407 1 1155 . 1 . 1 270 270 PRO N N 15 137.749 . . 1 . . 709 . . 270 PRO N . 53407 1 1156 . 1 . 1 272 272 GLY C C 13 174.822 . . 1 . . 687 . . 272 GLY C . 53407 1 1157 . 1 . 1 273 273 GLY H H 1 8.366 0.003 . 1 . . 1811 . . 273 GLY H . 53407 1 1158 . 1 . 1 273 273 GLY C C 13 174.054 0.016 . 1 . . 297 . . 273 GLY C . 53407 1 1159 . 1 . 1 273 273 GLY CA C 13 45.136 . . 1 . . 298 . . 273 GLY CA . 53407 1 1160 . 1 . 1 273 273 GLY N N 15 108.819 0.01 . 1 . . 1810 . . 273 GLY N . 53407 1 1161 . 1 . 1 274 274 LYS H H 1 8.192 0.003 . 1 . . 1866 . . 274 LYS H . 53407 1 1162 . 1 . 1 274 274 LYS C C 13 176.688 0.003 . 1 . . 294 . . 274 LYS C . 53407 1 1163 . 1 . 1 274 274 LYS CA C 13 56.307 0.022 . 1 . . 295 . . 274 LYS CA . 53407 1 1164 . 1 . 1 274 274 LYS CB C 13 33.123 . . 1 . . 296 . . 274 LYS CB . 53407 1 1165 . 1 . 1 274 274 LYS N N 15 120.893 0.019 . 1 . . 1867 . . 274 LYS N . 53407 1 1166 . 1 . 1 275 275 VAL H H 1 8.205 0.001 . 1 . . 1615 . . 275 VAL H . 53407 1 1167 . 1 . 1 275 275 VAL C C 13 175.942 0.01 . 1 . . 1617 . . 275 VAL C . 53407 1 1168 . 1 . 1 275 275 VAL CA C 13 62.425 0.004 . 1 . . 1618 . . 275 VAL CA . 53407 1 1169 . 1 . 1 275 275 VAL CB C 13 32.861 . . 1 . . 50 . . 275 VAL CB . 53407 1 1170 . 1 . 1 275 275 VAL N N 15 122.011 0.02 . 1 . . 1616 . . 275 VAL N . 53407 1 1171 . 1 . 1 276 276 GLN H H 1 8.524 0.003 . 1 . . 1619 . . 276 GLN H . 53407 1 1172 . 1 . 1 276 276 GLN C C 13 175.548 0.017 . 1 . . 1621 . . 276 GLN C . 53407 1 1173 . 1 . 1 276 276 GLN CA C 13 55.606 0.014 . 1 . . 1622 . . 276 GLN CA . 53407 1 1174 . 1 . 1 276 276 GLN CB C 13 29.674 . . 1 . . 280 . . 276 GLN CB . 53407 1 1175 . 1 . 1 276 276 GLN N N 15 125.179 0.018 . 1 . . 1620 . . 276 GLN N . 53407 1 1176 . 1 . 1 277 277 ILE H H 1 8.357 0.002 . 1 . . 1623 . . 277 ILE H . 53407 1 1177 . 1 . 1 277 277 ILE C C 13 176.101 0.016 . 1 . . 1625 . . 277 ILE C . 53407 1 1178 . 1 . 1 277 277 ILE CA C 13 61.045 0.009 . 1 . . 1626 . . 277 ILE CA . 53407 1 1179 . 1 . 1 277 277 ILE CB C 13 38.505 . . 1 . . 281 . . 277 ILE CB . 53407 1 1180 . 1 . 1 277 277 ILE N N 15 124.068 0.025 . 1 . . 1624 . . 277 ILE N . 53407 1 1181 . 1 . 1 278 278 ILE H H 1 8.329 0.003 . 1 . . 1627 . . 278 ILE H . 53407 1 1182 . 1 . 1 278 278 ILE C C 13 175.722 0.015 . 1 . . 1629 . . 278 ILE C . 53407 1 1183 . 1 . 1 278 278 ILE CA C 13 60.891 0.003 . 1 . . 1630 . . 278 ILE CA . 53407 1 1184 . 1 . 1 278 278 ILE CB C 13 38.634 . . 1 . . 282 . . 278 ILE CB . 53407 1 1185 . 1 . 1 278 278 ILE N N 15 125.933 0.035 . 1 . . 1628 . . 278 ILE N . 53407 1 1186 . 1 . 1 279 279 ASN H H 1 8.582 0.003 . 1 . . 1631 . . 279 ASN H . 53407 1 1187 . 1 . 1 279 279 ASN C C 13 175.039 0.003 . 1 . . 1633 . . 279 ASN C . 53407 1 1188 . 1 . 1 279 279 ASN CA C 13 53.068 0.014 . 1 . . 1634 . . 279 ASN CA . 53407 1 1189 . 1 . 1 279 279 ASN CB C 13 38.916 . . 1 . . 283 . . 279 ASN CB . 53407 1 1190 . 1 . 1 279 279 ASN N N 15 123.847 0.025 . 1 . . 1632 . . 279 ASN N . 53407 1 1191 . 1 . 1 280 280 LYS H H 1 8.376 0.003 . 1 . . 1635 . . 280 LYS H . 53407 1 1192 . 1 . 1 280 280 LYS C C 13 176.433 0.016 . 1 . . 1637 . . 280 LYS C . 53407 1 1193 . 1 . 1 280 280 LYS CA C 13 56.638 0.015 . 1 . . 1638 . . 280 LYS CA . 53407 1 1194 . 1 . 1 280 280 LYS N N 15 122.891 0.006 . 1 . . 1636 . . 280 LYS N . 53407 1 1195 . 1 . 1 281 281 LYS H H 1 8.336 0.002 . 1 . . 1639 . . 281 LYS H . 53407 1 1196 . 1 . 1 281 281 LYS C C 13 176.509 0.014 . 1 . . 1641 . . 281 LYS C . 53407 1 1197 . 1 . 1 281 281 LYS CA C 13 56.516 0.013 . 1 . . 1642 . . 281 LYS CA . 53407 1 1198 . 1 . 1 281 281 LYS CB C 13 32.890 . . 1 . . 284 . . 281 LYS CB . 53407 1 1199 . 1 . 1 281 281 LYS N N 15 122.476 0.007 . 1 . . 1640 . . 281 LYS N . 53407 1 1200 . 1 . 1 282 282 LEU H H 1 8.184 0.002 . 1 . . 1643 . . 282 LEU H . 53407 1 1201 . 1 . 1 282 282 LEU C C 13 176.740 0.01 . 1 . . 1645 . . 282 LEU C . 53407 1 1202 . 1 . 1 282 282 LEU CA C 13 55.134 0.014 . 1 . . 1646 . . 282 LEU CA . 53407 1 1203 . 1 . 1 282 282 LEU CB C 13 42.573 . . 1 . . 285 . . 282 LEU CB . 53407 1 1204 . 1 . 1 282 282 LEU N N 15 123.528 0.012 . 1 . . 1644 . . 282 LEU N . 53407 1 1205 . 1 . 1 283 283 ASP H H 1 8.372 0.002 . 1 . . 1647 . . 283 ASP H . 53407 1 1206 . 1 . 1 283 283 ASP C C 13 176.425 0.038 . 1 . . 1649 . . 283 ASP C . 53407 1 1207 . 1 . 1 283 283 ASP CA C 13 54.009 0.016 . 1 . . 1650 . . 283 ASP CA . 53407 1 1208 . 1 . 1 283 283 ASP CB C 13 41.052 . . 1 . . 286 . . 283 ASP CB . 53407 1 1209 . 1 . 1 283 283 ASP N N 15 122.017 0.005 . 1 . . 1648 . . 283 ASP N . 53407 1 1210 . 1 . 1 284 284 LEU H H 1 8.376 0.001 . 1 . . 1651 . . 284 LEU H . 53407 1 1211 . 1 . 1 284 284 LEU C C 13 177.926 0.016 . 1 . . 1654 . . 284 LEU C . 53407 1 1212 . 1 . 1 284 284 LEU CA C 13 55.337 0.018 . 1 . . 1655 . . 284 LEU CA . 53407 1 1213 . 1 . 1 284 284 LEU CB C 13 41.813 . . 1 . . 287 . . 284 LEU CB . 53407 1 1214 . 1 . 1 284 284 LEU N N 15 123.957 0.014 . 1 . . 1652 . . 284 LEU N . 53407 1 1215 . 1 . 1 285 285 SER H H 1 8.395 0.001 . 1 . . 1656 . . 285 SER H . 53407 1 1216 . 1 . 1 285 285 SER C C 13 174.675 0.003 . 1 . . 1658 . . 285 SER C . 53407 1 1217 . 1 . 1 285 285 SER CA C 13 59.514 0.029 . 1 . . 1659 . . 285 SER CA . 53407 1 1218 . 1 . 1 285 285 SER CB C 13 63.634 . . 1 . . 288 . . 285 SER CB . 53407 1 1219 . 1 . 1 285 285 SER N N 15 116.015 0.012 . 1 . . 1657 . . 285 SER N . 53407 1 1220 . 1 . 1 286 286 ASN H H 1 8.325 0.001 . 1 . . 1660 . . 286 ASN H . 53407 1 1221 . 1 . 1 286 286 ASN C C 13 175.382 0.016 . 1 . . 1662 . . 286 ASN C . 53407 1 1222 . 1 . 1 286 286 ASN CA C 13 53.407 0.023 . 1 . . 1663 . . 286 ASN CA . 53407 1 1223 . 1 . 1 286 286 ASN CB C 13 38.937 . . 1 . . 289 . . 286 ASN CB . 53407 1 1224 . 1 . 1 286 286 ASN N N 15 120.332 0.013 . 1 . . 1661 . . 286 ASN N . 53407 1 1225 . 1 . 1 287 287 VAL H H 1 7.970 0.001 . 1 . . 1665 . . 287 VAL H . 53407 1 1226 . 1 . 1 287 287 VAL C C 13 176.440 0.002 . 1 . . 1666 . . 287 VAL C . 53407 1 1227 . 1 . 1 287 287 VAL CA C 13 62.875 . . 1 . . 290 . . 287 VAL CA . 53407 1 1228 . 1 . 1 287 287 VAL CB C 13 32.522 . . 1 . . 1934 . . 287 VAL CB . 53407 1 1229 . 1 . 1 287 287 VAL N N 15 120.041 0.011 . 1 . . 1664 . . 287 VAL N . 53407 1 1230 . 1 . 1 288 288 GLN H H 1 8.473 0.002 . 1 . . 1868 . . 288 GLN H . 53407 1 1231 . 1 . 1 288 288 GLN C C 13 174.679 . . 1 . . 291 . . 288 GLN C . 53407 1 1232 . 1 . 1 288 288 GLN CA C 13 56.183 . . 1 . . 292 . . 288 GLN CA . 53407 1 1233 . 1 . 1 288 288 GLN CB C 13 29.643 . . 1 . . 293 . . 288 GLN CB . 53407 1 1234 . 1 . 1 288 288 GLN N N 15 123.596 0.003 . 1 . . 1869 . . 288 GLN N . 53407 1 1235 . 1 . 1 295 295 ASP H H 1 8.246 0.001 . 1 . . 32 . . 295 ASP H . 53407 1 1236 . 1 . 1 295 295 ASP C C 13 175.894 0.014 . 1 . . 578 . . 295 ASP C . 53407 1 1237 . 1 . 1 295 295 ASP CA C 13 54.630 0.0 . 1 . . 579 . . 295 ASP CA . 53407 1 1238 . 1 . 1 295 295 ASP CB C 13 41.417 . . 1 . . 580 . . 295 ASP CB . 53407 1 1239 . 1 . 1 295 295 ASP N N 15 120.429 0.008 . 1 . . 33 . . 295 ASP N . 53407 1 1240 . 1 . 1 296 296 ASN H H 1 8.322 0.0 . 1 . . 24 . . 296 ASN H . 53407 1 1241 . 1 . 1 296 296 ASN C C 13 175.065 0.008 . 1 . . 1928 . . 296 ASN C . 53407 1 1242 . 1 . 1 296 296 ASN CA C 13 53.354 0.003 . 1 . . 1930 . . 296 ASN CA . 53407 1 1243 . 1 . 1 296 296 ASN CB C 13 38.823 . . 1 . . 1929 . . 296 ASN CB . 53407 1 1244 . 1 . 1 296 296 ASN N N 15 118.704 0.002 . 1 . . 25 . . 296 ASN N . 53407 1 1245 . 1 . 1 297 297 ILE H H 1 8.005 0.002 . 1 . . 16 . . 297 ILE H . 53407 1 1246 . 1 . 1 297 297 ILE C C 13 176.048 0.009 . 1 . . 563 . . 297 ILE C . 53407 1 1247 . 1 . 1 297 297 ILE CA C 13 61.255 0.021 . 1 . . 564 . . 297 ILE CA . 53407 1 1248 . 1 . 1 297 297 ILE CB C 13 38.713 . . 1 . . 565 . . 297 ILE CB . 53407 1 1249 . 1 . 1 297 297 ILE N N 15 120.906 0.015 . 1 . . 17 . . 297 ILE N . 53407 1 1250 . 1 . 1 298 298 LYS H H 1 8.350 0.011 . 1 . . 513 . . 298 LYS H . 53407 1 1251 . 1 . 1 298 298 LYS C C 13 175.050 . . 1 . . 1931 . . 298 LYS C . 53407 1 1252 . 1 . 1 298 298 LYS CA C 13 56.042 . . 1 . . 515 . . 298 LYS CA . 53407 1 1253 . 1 . 1 298 298 LYS CB C 13 32.988 . . 1 . . 1932 . . 298 LYS CB . 53407 1 1254 . 1 . 1 298 298 LYS N N 15 125.163 0.039 . 1 . . 514 . . 298 LYS N . 53407 1 1255 . 1 . 1 313 313 VAL H H 1 8.176 0.004 . 1 . . 811 . . 313 VAL H . 53407 1 1256 . 1 . 1 313 313 VAL C C 13 175.662 . . 1 . . 814 . . 313 VAL C . 53407 1 1257 . 1 . 1 313 313 VAL CA C 13 62.485 . . 1 . . 816 . . 313 VAL CA . 53407 1 1258 . 1 . 1 313 313 VAL CB C 13 33.003 . . 1 . . 815 . . 313 VAL CB . 53407 1 1259 . 1 . 1 313 313 VAL N N 15 119.854 0.029 . 1 . . 812 . . 313 VAL N . 53407 1 1260 . 1 . 1 314 314 ASP H H 1 8.308 0.003 . 1 . . 555 . . 314 ASP H . 53407 1 1261 . 1 . 1 314 314 ASP C C 13 176.708 0.038 . 1 . . 557 . . 314 ASP C . 53407 1 1262 . 1 . 1 314 314 ASP CA C 13 53.712 . . 1 . . 558 . . 314 ASP CA . 53407 1 1263 . 1 . 1 314 314 ASP CB C 13 41.117 . . 1 . . 559 . . 314 ASP CB . 53407 1 1264 . 1 . 1 314 314 ASP N N 15 123.449 0.008 . 1 . . 556 . . 314 ASP N . 53407 1 1265 . 1 . 1 315 315 LEU H H 1 8.529 0.015 . 1 . . 1890 . . 315 LEU H . 53407 1 1266 . 1 . 1 315 315 LEU C C 13 178.065 0.006 . 1 . . 560 . . 315 LEU C . 53407 1 1267 . 1 . 1 315 315 LEU CA C 13 55.600 . . 1 . . 562 . . 315 LEU CA . 53407 1 1268 . 1 . 1 315 315 LEU CB C 13 41.726 . . 1 . . 561 . . 315 LEU CB . 53407 1 1269 . 1 . 1 315 315 LEU N N 15 125.167 0.206 . 1 . . 1891 . . 315 LEU N . 53407 1 1270 . 1 . 1 316 316 SER H H 1 8.453 0.001 . 1 . . 584 . . 316 SER H . 53407 1 1271 . 1 . 1 316 316 SER CA C 13 59.732 . . 1 . . 586 . . 316 SER CA . 53407 1 1272 . 1 . 1 316 316 SER CB C 13 63.559 . . 1 . . 587 . . 316 SER CB . 53407 1 1273 . 1 . 1 316 316 SER N N 15 116.134 0.007 . 1 . . 585 . . 316 SER N . 53407 1 1274 . 1 . 1 317 317 LYS H H 1 7.974 0.015 . 1 . . 1888 . . 317 LYS H . 53407 1 1275 . 1 . 1 317 317 LYS C C 13 176.695 0.022 . 1 . . 571 . . 317 LYS C . 53407 1 1276 . 1 . 1 317 317 LYS CA C 13 56.203 0.039 . 1 . . 572 . . 317 LYS CA . 53407 1 1277 . 1 . 1 317 317 LYS CB C 13 32.945 . . 1 . . 573 . . 317 LYS CB . 53407 1 1278 . 1 . 1 317 317 LYS N N 15 121.996 0.09 . 1 . . 1889 . . 317 LYS N . 53407 1 1279 . 1 . 1 318 318 VAL H H 1 7.909 0.017 . 1 . . 1892 . . 318 VAL H . 53407 1 1280 . 1 . 1 318 318 VAL C C 13 176.492 0.002 . 1 . . 568 . . 318 VAL C . 53407 1 1281 . 1 . 1 318 318 VAL CA C 13 62.746 . . 1 . . 569 . . 318 VAL CA . 53407 1 1282 . 1 . 1 318 318 VAL CB C 13 32.728 . . 1 . . 570 . . 318 VAL CB . 53407 1 1283 . 1 . 1 318 318 VAL N N 15 120.323 0.175 . 1 . . 1893 . . 318 VAL N . 53407 1 1284 . 1 . 1 319 319 THR H H 1 8.231 0.009 . 1 . . 1895 . . 319 THR H . 53407 1 1285 . 1 . 1 319 319 THR C C 13 172.792 . . 1 . . 810 . . 319 THR C . 53407 1 1286 . 1 . 1 319 319 THR CA C 13 61.891 . . 1 . . 574 . . 319 THR CA . 53407 1 1287 . 1 . 1 319 319 THR CB C 13 69.851 . . 1 . . 575 . . 319 THR CB . 53407 1 1288 . 1 . 1 319 319 THR N N 15 117.193 0.192 . 1 . . 1894 . . 319 THR N . 53407 1 1289 . 1 . 1 334 334 GLY C C 13 174.818 . . 1 . . 689 . . 334 GLY C . 53407 1 1290 . 1 . 1 335 335 GLY H H 1 8.412 0.001 . 1 . . 1812 . . 335 GLY H . 53407 1 1291 . 1 . 1 335 335 GLY C C 13 174.056 0.014 . 1 . . 278 . . 335 GLY C . 53407 1 1292 . 1 . 1 335 335 GLY CA C 13 45.221 0.002 . 1 . . 279 . . 335 GLY CA . 53407 1 1293 . 1 . 1 335 335 GLY N N 15 108.854 0.006 . 1 . . 1813 . . 335 GLY N . 53407 1 1294 . 1 . 1 336 336 GLN H H 1 8.306 0.001 . 1 . . 1668 . . 336 GLN H . 53407 1 1295 . 1 . 1 336 336 GLN C C 13 176.005 0.027 . 1 . . 1670 . . 336 GLN C . 53407 1 1296 . 1 . 1 336 336 GLN CA C 13 55.769 0.026 . 1 . . 1671 . . 336 GLN CA . 53407 1 1297 . 1 . 1 336 336 GLN CB C 13 29.604 . . 1 . . 277 . . 336 GLN CB . 53407 1 1298 . 1 . 1 336 336 GLN N N 15 119.991 0.01 . 1 . . 1669 . . 336 GLN N . 53407 1 1299 . 1 . 1 337 337 VAL H H 1 8.240 0.002 . 1 . . 1672 . . 337 VAL H . 53407 1 1300 . 1 . 1 337 337 VAL C C 13 175.939 0.009 . 1 . . 1676 . . 337 VAL C . 53407 1 1301 . 1 . 1 337 337 VAL CA C 13 62.328 0.017 . 1 . . 1677 . . 337 VAL CA . 53407 1 1302 . 1 . 1 337 337 VAL CB C 13 33.012 . . 1 . . 276 . . 337 VAL CB . 53407 1 1303 . 1 . 1 337 337 VAL N N 15 121.701 0.02 . 1 . . 1673 . . 337 VAL N . 53407 1 1304 . 1 . 1 338 338 GLU H H 1 8.537 0.001 . 1 . . 1674 . . 338 GLU H . 53407 1 1305 . 1 . 1 338 338 GLU C C 13 176.176 0.026 . 1 . . 1678 . . 338 GLU C . 53407 1 1306 . 1 . 1 338 338 GLU CA C 13 56.318 0.03 . 1 . . 1679 . . 338 GLU CA . 53407 1 1307 . 1 . 1 338 338 GLU CB C 13 30.596 . . 1 . . 275 . . 338 GLU CB . 53407 1 1308 . 1 . 1 338 338 GLU N N 15 125.492 0.016 . 1 . . 1675 . . 338 GLU N . 53407 1 1309 . 1 . 1 339 339 VAL H H 1 8.359 0.002 . 1 . . 1870 . . 339 VAL H . 53407 1 1310 . 1 . 1 339 339 VAL C C 13 176.116 0.004 . 1 . . 272 . . 339 VAL C . 53407 1 1311 . 1 . 1 339 339 VAL CA C 13 62.335 0.007 . 1 . . 273 . . 339 VAL CA . 53407 1 1312 . 1 . 1 339 339 VAL CB C 13 32.756 . . 1 . . 274 . . 339 VAL CB . 53407 1 1313 . 1 . 1 339 339 VAL N N 15 123.363 0.03 . 1 . . 1871 . . 339 VAL N . 53407 1 1314 . 1 . 1 340 340 LYS H H 1 8.528 0.002 . 1 . . 1680 . . 340 LYS H . 53407 1 1315 . 1 . 1 340 340 LYS C C 13 176.492 0.008 . 1 . . 1682 . . 340 LYS C . 53407 1 1316 . 1 . 1 340 340 LYS CA C 13 56.239 0.031 . 1 . . 1683 . . 340 LYS CA . 53407 1 1317 . 1 . 1 340 340 LYS CB C 13 33.061 . . 1 . . 271 . . 340 LYS CB . 53407 1 1318 . 1 . 1 340 340 LYS N N 15 126.252 0.018 . 1 . . 1681 . . 340 LYS N . 53407 1 1319 . 1 . 1 341 341 SER H H 1 8.407 0.002 . 1 . . 1684 . . 341 SER H . 53407 1 1320 . 1 . 1 341 341 SER C C 13 174.585 0.002 . 1 . . 690 . . 341 SER C . 53407 1 1321 . 1 . 1 341 341 SER CA C 13 58.345 0.037 . 1 . . 269 . . 341 SER CA . 53407 1 1322 . 1 . 1 341 341 SER CB C 13 63.848 . . 1 . . 270 . . 341 SER CB . 53407 1 1323 . 1 . 1 341 341 SER N N 15 117.666 0.021 . 1 . . 1685 . . 341 SER N . 53407 1 1324 . 1 . 1 342 342 GLU H H 1 8.569 0.001 . 1 . . 1686 . . 342 GLU H . 53407 1 1325 . 1 . 1 342 342 GLU C C 13 176.331 0.018 . 1 . . 1688 . . 342 GLU C . 53407 1 1326 . 1 . 1 342 342 GLU CA C 13 56.614 0.034 . 1 . . 1689 . . 342 GLU CA . 53407 1 1327 . 1 . 1 342 342 GLU CB C 13 30.400 . . 1 . . 268 . . 342 GLU CB . 53407 1 1328 . 1 . 1 342 342 GLU N N 15 123.494 0.006 . 1 . . 1687 . . 342 GLU N . 53407 1 1329 . 1 . 1 343 343 LYS H H 1 8.350 0.003 . 1 . . 1690 . . 343 LYS H . 53407 1 1330 . 1 . 1 343 343 LYS C C 13 176.442 0.017 . 1 . . 1692 . . 343 LYS C . 53407 1 1331 . 1 . 1 343 343 LYS CA C 13 56.314 0.005 . 1 . . 1693 . . 343 LYS CA . 53407 1 1332 . 1 . 1 343 343 LYS CB C 13 32.889 . . 1 . . 267 . . 343 LYS CB . 53407 1 1333 . 1 . 1 343 343 LYS N N 15 122.281 0.006 . 1 . . 1691 . . 343 LYS N . 53407 1 1334 . 1 . 1 344 344 LEU H H 1 8.251 0.002 . 1 . . 1694 . . 344 LEU H . 53407 1 1335 . 1 . 1 344 344 LEU C C 13 176.828 0.033 . 1 . . 1696 . . 344 LEU C . 53407 1 1336 . 1 . 1 344 344 LEU CA C 13 55.089 0.014 . 1 . . 1697 . . 344 LEU CA . 53407 1 1337 . 1 . 1 344 344 LEU CB C 13 42.492 . . 1 . . 266 . . 344 LEU CB . 53407 1 1338 . 1 . 1 344 344 LEU N N 15 123.632 0.011 . 1 . . 1695 . . 344 LEU N . 53407 1 1339 . 1 . 1 345 345 ASP H H 1 8.337 0.001 . 1 . . 1698 . . 345 ASP H . 53407 1 1340 . 1 . 1 345 345 ASP C C 13 176.087 0.004 . 1 . . 1700 . . 345 ASP C . 53407 1 1341 . 1 . 1 345 345 ASP CA C 13 54.085 0.025 . 1 . . 1701 . . 345 ASP CA . 53407 1 1342 . 1 . 1 345 345 ASP CB C 13 41.453 . . 1 . . 265 . . 345 ASP CB . 53407 1 1343 . 1 . 1 345 345 ASP N N 15 121.284 0.006 . 1 . . 1699 . . 345 ASP N . 53407 1 1344 . 1 . 1 346 346 PHE H H 1 8.208 0.003 . 1 . . 1702 . . 346 PHE H . 53407 1 1345 . 1 . 1 346 346 PHE C C 13 176.194 0.008 . 1 . . 1704 . . 346 PHE C . 53407 1 1346 . 1 . 1 346 346 PHE CA C 13 58.375 0.016 . 1 . . 1705 . . 346 PHE CA . 53407 1 1347 . 1 . 1 346 346 PHE CB C 13 39.341 . . 1 . . 264 . . 346 PHE CB . 53407 1 1348 . 1 . 1 346 346 PHE N N 15 121.093 0.015 . 1 . . 1703 . . 346 PHE N . 53407 1 1349 . 1 . 1 347 347 LYS H H 1 8.241 0.001 . 1 . . 1706 . . 347 LYS H . 53407 1 1350 . 1 . 1 347 347 LYS C C 13 176.358 0.016 . 1 . . 1708 . . 347 LYS C . 53407 1 1351 . 1 . 1 347 347 LYS CA C 13 57.041 0.005 . 1 . . 1709 . . 347 LYS CA . 53407 1 1352 . 1 . 1 347 347 LYS CB C 13 32.728 . . 1 . . 263 . . 347 LYS CB . 53407 1 1353 . 1 . 1 347 347 LYS N N 15 121.858 0.018 . 1 . . 1707 . . 347 LYS N . 53407 1 1354 . 1 . 1 348 348 ASP H H 1 8.186 0.001 . 1 . . 1872 . . 348 ASP H . 53407 1 1355 . 1 . 1 348 348 ASP C C 13 176.215 0.006 . 1 . . 260 . . 348 ASP C . 53407 1 1356 . 1 . 1 348 348 ASP CA C 13 54.634 0.017 . 1 . . 261 . . 348 ASP CA . 53407 1 1357 . 1 . 1 348 348 ASP CB C 13 41.226 . . 1 . . 262 . . 348 ASP CB . 53407 1 1358 . 1 . 1 348 348 ASP N N 15 120.230 0.005 . 1 . . 1873 . . 348 ASP N . 53407 1 1359 . 1 . 1 349 349 ARG H H 1 8.091 0.001 . 1 . . 1710 . . 349 ARG H . 53407 1 1360 . 1 . 1 349 349 ARG C C 13 176.516 0.016 . 1 . . 1712 . . 349 ARG C . 53407 1 1361 . 1 . 1 349 349 ARG CA C 13 56.426 0.007 . 1 . . 1713 . . 349 ARG CA . 53407 1 1362 . 1 . 1 349 349 ARG CB C 13 30.801 . . 1 . . 259 . . 349 ARG CB . 53407 1 1363 . 1 . 1 349 349 ARG N N 15 120.884 0.009 . 1 . . 1711 . . 349 ARG N . 53407 1 1364 . 1 . 1 350 350 VAL H H 1 8.172 0.001 . 1 . . 254 . . 350 VAL H . 53407 1 1365 . 1 . 1 350 350 VAL C C 13 176.453 0.004 . 1 . . 256 . . 350 VAL C . 53407 1 1366 . 1 . 1 350 350 VAL CA C 13 62.820 0.002 . 1 . . 257 . . 350 VAL CA . 53407 1 1367 . 1 . 1 350 350 VAL CB C 13 32.610 . . 1 . . 258 . . 350 VAL CB . 53407 1 1368 . 1 . 1 350 350 VAL N N 15 121.400 0.013 . 1 . . 255 . . 350 VAL N . 53407 1 1369 . 1 . 1 351 351 GLN H H 1 8.503 0.0 . 1 . . 1842 . . 351 GLN H . 53407 1 1370 . 1 . 1 351 351 GLN C C 13 176.098 0.003 . 1 . . 251 . . 351 GLN C . 53407 1 1371 . 1 . 1 351 351 GLN CA C 13 56.063 0.0 . 1 . . 252 . . 351 GLN CA . 53407 1 1372 . 1 . 1 351 351 GLN CB C 13 29.659 . . 1 . . 253 . . 351 GLN CB . 53407 1 1373 . 1 . 1 351 351 GLN N N 15 124.097 0.016 . 1 . . 1843 . . 351 GLN N . 53407 1 1374 . 1 . 1 352 352 SER H H 1 8.363 0.003 . 1 . . 1788 . . 352 SER H . 53407 1 1375 . 1 . 1 352 352 SER C C 13 174.547 0.008 . 1 . . 691 . . 352 SER C . 53407 1 1376 . 1 . 1 352 352 SER CA C 13 58.535 0.021 . 1 . . 249 . . 352 SER CA . 53407 1 1377 . 1 . 1 352 352 SER CB C 13 63.779 . . 1 . . 250 . . 352 SER CB . 53407 1 1378 . 1 . 1 352 352 SER N N 15 117.400 0.024 . 1 . . 1789 . . 352 SER N . 53407 1 1379 . 1 . 1 353 353 LYS H H 1 8.383 0.003 . 1 . . 18 . . 353 LYS H . 53407 1 1380 . 1 . 1 353 353 LYS C C 13 176.615 0.007 . 1 . . 246 . . 353 LYS C . 53407 1 1381 . 1 . 1 353 353 LYS CA C 13 56.427 0.008 . 1 . . 247 . . 353 LYS CA . 53407 1 1382 . 1 . 1 353 353 LYS CB C 13 32.955 . . 1 . . 248 . . 353 LYS CB . 53407 1 1383 . 1 . 1 353 353 LYS N N 15 123.402 0.006 . 1 . . 19 . . 353 LYS N . 53407 1 1384 . 1 . 1 354 354 ILE H H 1 8.154 0.002 . 1 . . 1792 . . 354 ILE H . 53407 1 1385 . 1 . 1 354 354 ILE C C 13 176.894 0.002 . 1 . . 243 . . 354 ILE C . 53407 1 1386 . 1 . 1 354 354 ILE CA C 13 61.578 0.003 . 1 . . 245 . . 354 ILE CA . 53407 1 1387 . 1 . 1 354 354 ILE CB C 13 38.504 . . 1 . . 244 . . 354 ILE CB . 53407 1 1388 . 1 . 1 354 354 ILE N N 15 121.984 0.015 . 1 . . 1793 . . 354 ILE N . 53407 1 1389 . 1 . 1 355 355 GLY H H 1 8.539 0.001 . 1 . . 1786 . . 355 GLY H . 53407 1 1390 . 1 . 1 355 355 GLY C C 13 173.930 0.009 . 1 . . 241 . . 355 GLY C . 53407 1 1391 . 1 . 1 355 355 GLY CA C 13 45.278 0.002 . 1 . . 242 . . 355 GLY CA . 53407 1 1392 . 1 . 1 355 355 GLY N N 15 113.502 0.015 . 1 . . 1787 . . 355 GLY N . 53407 1 1393 . 1 . 1 356 356 ALA H H 1 8.122 0.002 . 1 . . 1714 . . 356 ALA H . 53407 1 1394 . 1 . 1 356 356 ALA C C 13 178.058 0.034 . 1 . . 1716 . . 356 ALA C . 53407 1 1395 . 1 . 1 356 356 ALA CA C 13 52.722 0.011 . 1 . . 1717 . . 356 ALA CA . 53407 1 1396 . 1 . 1 356 356 ALA CB C 13 19.409 . . 1 . . 240 . . 356 ALA CB . 53407 1 1397 . 1 . 1 356 356 ALA N N 15 123.655 0.004 . 1 . . 1715 . . 356 ALA N . 53407 1 1398 . 1 . 1 357 357 LEU H H 1 8.302 0.001 . 1 . . 1874 . . 357 LEU H . 53407 1 1399 . 1 . 1 357 357 LEU C C 13 177.284 0.001 . 1 . . 237 . . 357 LEU C . 53407 1 1400 . 1 . 1 357 357 LEU CA C 13 55.129 0.006 . 1 . . 239 . . 357 LEU CA . 53407 1 1401 . 1 . 1 357 357 LEU CB C 13 42.168 . . 1 . . 238 . . 357 LEU CB . 53407 1 1402 . 1 . 1 357 357 LEU N N 15 120.709 0.007 . 1 . . 1875 . . 357 LEU N . 53407 1 1403 . 1 . 1 358 358 ASP H H 1 8.188 0.001 . 1 . . 1876 . . 358 ASP H . 53407 1 1404 . 1 . 1 358 358 ASP C C 13 175.925 0.016 . 1 . . 234 . . 358 ASP C . 53407 1 1405 . 1 . 1 358 358 ASP CA C 13 54.453 0.007 . 1 . . 236 . . 358 ASP CA . 53407 1 1406 . 1 . 1 358 358 ASP CB C 13 41.169 . . 1 . . 235 . . 358 ASP CB . 53407 1 1407 . 1 . 1 358 358 ASP N N 15 120.251 0.005 . 1 . . 1877 . . 358 ASP N . 53407 1 1408 . 1 . 1 359 359 ASN H H 1 8.320 0.001 . 1 . . 1790 . . 359 ASN H . 53407 1 1409 . 1 . 1 359 359 ASN C C 13 175.121 0.007 . 1 . . 231 . . 359 ASN C . 53407 1 1410 . 1 . 1 359 359 ASN CA C 13 53.336 0.006 . 1 . . 233 . . 359 ASN CA . 53407 1 1411 . 1 . 1 359 359 ASN CB C 13 38.842 . . 1 . . 232 . . 359 ASN CB . 53407 1 1412 . 1 . 1 359 359 ASN N N 15 118.542 0.013 . 1 . . 1791 . . 359 ASN N . 53407 1 1413 . 1 . 1 360 360 ILE H H 1 8.077 0.002 . 1 . . 1878 . . 360 ILE H . 53407 1 1414 . 1 . 1 360 360 ILE C C 13 176.389 0.005 . 1 . . 229 . . 360 ILE C . 53407 1 1415 . 1 . 1 360 360 ILE CA C 13 61.319 0.017 . 1 . . 230 . . 360 ILE CA . 53407 1 1416 . 1 . 1 360 360 ILE CB C 13 38.785 . . 1 . . 777 . . 360 ILE CB . 53407 1 1417 . 1 . 1 360 360 ILE N N 15 120.600 0.009 . 1 . . 1879 . . 360 ILE N . 53407 1 1418 . 1 . 1 361 361 THR H H 1 8.258 0.003 . 1 . . 1880 . . 361 THR H . 53407 1 1419 . 1 . 1 361 361 THR C C 13 174.092 0.006 . 1 . . 226 . . 361 THR C . 53407 1 1420 . 1 . 1 361 361 THR CA C 13 62.121 0.014 . 1 . . 227 . . 361 THR CA . 53407 1 1421 . 1 . 1 361 361 THR CB C 13 69.722 . . 1 . . 228 . . 361 THR CB . 53407 1 1422 . 1 . 1 361 361 THR N N 15 118.146 0.022 . 1 . . 1881 . . 361 THR N . 53407 1 1423 . 1 . 1 366 366 GLY H H 1 8.402 0.004 . 1 . . 1814 . . 366 GLY H . 53407 1 1424 . 1 . 1 366 366 GLY C C 13 174.829 . . 1 . . 692 . . 366 GLY C . 53407 1 1425 . 1 . 1 366 366 GLY N N 15 108.894 0.012 . 1 . . 1815 . . 366 GLY N . 53407 1 1426 . 1 . 1 367 367 GLY C C 13 174.028 . . 1 . . 96 . . 367 GLY C . 53407 1 1427 . 1 . 1 367 367 GLY CA C 13 45.329 . . 1 . . 97 . . 367 GLY CA . 53407 1 1428 . 1 . 1 368 368 ASN C C 13 175.273 . . 1 . . 93 . . 368 ASN C . 53407 1 1429 . 1 . 1 369 369 LYS H H 1 8.318 0.0 . 1 . . 1882 . . 369 LYS H . 53407 1 1430 . 1 . 1 369 369 LYS C C 13 176.437 0.005 . 1 . . 98 . . 369 LYS C . 53407 1 1431 . 1 . 1 369 369 LYS CA C 13 56.233 0.004 . 1 . . 99 . . 369 LYS CA . 53407 1 1432 . 1 . 1 369 369 LYS CB C 13 33.055 . . 1 . . 100 . . 369 LYS CB . 53407 1 1433 . 1 . 1 369 369 LYS N N 15 121.878 0.009 . 1 . . 1883 . . 369 LYS N . 53407 1 1434 . 1 . 1 370 370 LYS H H 1 8.378 0.0 . 1 . . 1796 . . 370 LYS H . 53407 1 1435 . 1 . 1 370 370 LYS C C 13 176.437 0.01 . 1 . . 101 . . 370 LYS C . 53407 1 1436 . 1 . 1 370 370 LYS CA C 13 56.399 0.0 . 1 . . 103 . . 370 LYS CA . 53407 1 1437 . 1 . 1 370 370 LYS CB C 13 32.966 . . 1 . . 102 . . 370 LYS CB . 53407 1 1438 . 1 . 1 370 370 LYS N N 15 123.213 0.002 . 1 . . 1797 . . 370 LYS N . 53407 1 1439 . 1 . 1 371 371 ILE H H 1 8.234 0.001 . 1 . . 1794 . . 371 ILE H . 53407 1 1440 . 1 . 1 371 371 ILE C C 13 176.233 0.001 . 1 . . 104 . . 371 ILE C . 53407 1 1441 . 1 . 1 371 371 ILE CA C 13 61.033 0.052 . 1 . . 105 . . 371 ILE CA . 53407 1 1442 . 1 . 1 371 371 ILE CB C 13 38.681 . . 1 . . 106 . . 371 ILE CB . 53407 1 1443 . 1 . 1 371 371 ILE N N 15 123.127 0.021 . 1 . . 1795 . . 371 ILE N . 53407 1 1444 . 1 . 1 372 372 GLU H H 1 8.578 0.001 . 1 . . 1718 . . 372 GLU H . 53407 1 1445 . 1 . 1 372 372 GLU C C 13 176.556 0.032 . 1 . . 1720 . . 372 GLU C . 53407 1 1446 . 1 . 1 372 372 GLU CA C 13 56.387 0.039 . 1 . . 1721 . . 372 GLU CA . 53407 1 1447 . 1 . 1 372 372 GLU CB C 13 30.437 . . 1 . . 107 . . 372 GLU CB . 53407 1 1448 . 1 . 1 372 372 GLU N N 15 125.847 0.013 . 1 . . 1719 . . 372 GLU N . 53407 1 1449 . 1 . 1 373 373 THR H H 1 8.258 0.002 . 1 . . 1816 . . 373 THR H . 53407 1 1450 . 1 . 1 373 373 THR C C 13 174.534 . . 1 . . 108 . . 373 THR C . 53407 1 1451 . 1 . 1 373 373 THR CA C 13 62.169 . . 1 . . 109 . . 373 THR CA . 53407 1 1452 . 1 . 1 373 373 THR CB C 13 69.752 . . 1 . . 110 . . 373 THR CB . 53407 1 1453 . 1 . 1 373 373 THR N N 15 115.810 0.032 . 1 . . 1817 . . 373 THR N . 53407 1 1454 . 1 . 1 375 375 LYS C C 13 176.463 . . 1 . . 693 . . 375 LYS C . 53407 1 1455 . 1 . 1 376 376 LEU H H 1 8.321 0.002 . 1 . . 14 . . 376 LEU H . 53407 1 1456 . 1 . 1 376 376 LEU C C 13 177.408 0.014 . 1 . . 89 . . 376 LEU C . 53407 1 1457 . 1 . 1 376 376 LEU CA C 13 55.319 0.023 . 1 . . 90 . . 376 LEU CA . 53407 1 1458 . 1 . 1 376 376 LEU CB C 13 42.259 . . 1 . . 91 . . 376 LEU CB . 53407 1 1459 . 1 . 1 376 376 LEU N N 15 123.382 0.057 . 1 . . 15 . . 376 LEU N . 53407 1 1460 . 1 . 1 377 377 THR H H 1 8.084 0.002 . 1 . . 1722 . . 377 THR H . 53407 1 1461 . 1 . 1 377 377 THR C C 13 174.178 0.009 . 1 . . 1724 . . 377 THR C . 53407 1 1462 . 1 . 1 377 377 THR CA C 13 61.759 0.065 . 1 . . 1725 . . 377 THR CA . 53407 1 1463 . 1 . 1 377 377 THR CB C 13 70.066 . . 1 . . 88 . . 377 THR CB . 53407 1 1464 . 1 . 1 377 377 THR N N 15 114.748 0.035 . 1 . . 1723 . . 377 THR N . 53407 1 1465 . 1 . 1 378 378 PHE H H 1 8.290 0.001 . 1 . . 1726 . . 378 PHE H . 53407 1 1466 . 1 . 1 378 378 PHE C C 13 175.602 0.006 . 1 . . 1728 . . 378 PHE C . 53407 1 1467 . 1 . 1 378 378 PHE CA C 13 58.044 0.026 . 1 . . 1729 . . 378 PHE CA . 53407 1 1468 . 1 . 1 378 378 PHE CB C 13 39.598 . . 1 . . 92 . . 378 PHE CB . 53407 1 1469 . 1 . 1 378 378 PHE N N 15 122.696 0.014 . 1 . . 1727 . . 378 PHE N . 53407 1 1470 . 1 . 1 379 379 ARG H H 1 8.208 0.002 . 1 . . 1884 . . 379 ARG H . 53407 1 1471 . 1 . 1 379 379 ARG C C 13 176.066 0.008 . 1 . . 195 . . 379 ARG C . 53407 1 1472 . 1 . 1 379 379 ARG CA C 13 56.147 0.012 . 1 . . 196 . . 379 ARG CA . 53407 1 1473 . 1 . 1 379 379 ARG CB C 13 30.981 . . 1 . . 197 . . 379 ARG CB . 53407 1 1474 . 1 . 1 379 379 ARG N N 15 122.957 0.008 . 1 . . 1885 . . 379 ARG N . 53407 1 1475 . 1 . 1 380 380 GLU H H 1 8.406 0.001 . 1 . . 190 . . 380 GLU H . 53407 1 1476 . 1 . 1 380 380 GLU C C 13 176.423 0.006 . 1 . . 192 . . 380 GLU C . 53407 1 1477 . 1 . 1 380 380 GLU CA C 13 56.931 0.025 . 1 . . 194 . . 380 GLU CA . 53407 1 1478 . 1 . 1 380 380 GLU CB C 13 30.202 . . 1 . . 193 . . 380 GLU CB . 53407 1 1479 . 1 . 1 380 380 GLU N N 15 122.120 0.013 . 1 . . 191 . . 380 GLU N . 53407 1 1480 . 1 . 1 381 381 ASN H H 1 8.496 0.004 . 1 . . 1798 . . 381 ASN H . 53407 1 1481 . 1 . 1 381 381 ASN C C 13 175.143 0.01 . 1 . . 187 . . 381 ASN C . 53407 1 1482 . 1 . 1 381 381 ASN CA C 13 53.399 . . 1 . . 188 . . 381 ASN CA . 53407 1 1483 . 1 . 1 381 381 ASN CB C 13 38.796 . . 1 . . 189 . . 381 ASN CB . 53407 1 1484 . 1 . 1 381 381 ASN N N 15 119.768 0.021 . 1 . . 1799 . . 381 ASN N . 53407 1 1485 . 1 . 1 382 382 ALA H H 1 8.255 0.003 . 1 . . 1800 . . 382 ALA H . 53407 1 1486 . 1 . 1 382 382 ALA C C 13 177.840 0.01 . 1 . . 198 . . 382 ALA C . 53407 1 1487 . 1 . 1 382 382 ALA CA C 13 52.875 0.026 . 1 . . 200 . . 382 ALA CA . 53407 1 1488 . 1 . 1 382 382 ALA CB C 13 19.242 . . 1 . . 199 . . 382 ALA CB . 53407 1 1489 . 1 . 1 382 382 ALA N N 15 124.382 0.006 . 1 . . 1801 . . 382 ALA N . 53407 1 1490 . 1 . 1 383 383 LYS H H 1 8.207 0.004 . 1 . . 1730 . . 383 LYS H . 53407 1 1491 . 1 . 1 383 383 LYS C C 13 176.492 0.021 . 1 . . 1732 . . 383 LYS C . 53407 1 1492 . 1 . 1 383 383 LYS CA C 13 56.351 0.012 . 1 . . 1733 . . 383 LYS CA . 53407 1 1493 . 1 . 1 383 383 LYS CB C 13 32.904 . . 1 . . 201 . . 383 LYS CB . 53407 1 1494 . 1 . 1 383 383 LYS N N 15 120.138 0.013 . 1 . . 1731 . . 383 LYS N . 53407 1 1495 . 1 . 1 384 384 ALA H H 1 8.215 0.006 . 1 . . 1734 . . 384 ALA H . 53407 1 1496 . 1 . 1 384 384 ALA C C 13 177.801 0.041 . 1 . . 1736 . . 384 ALA C . 53407 1 1497 . 1 . 1 384 384 ALA CA C 13 52.551 0.004 . 1 . . 1922 . . 384 ALA CA . 53407 1 1498 . 1 . 1 384 384 ALA CB C 13 19.311 . . 1 . . 1923 . . 384 ALA CB . 53407 1 1499 . 1 . 1 384 384 ALA N N 15 124.942 0.026 . 1 . . 1735 . . 384 ALA N . 53407 1 1500 . 1 . 1 385 385 LYS H H 1 8.339 0.001 . 1 . . 1737 . . 385 LYS H . 53407 1 1501 . 1 . 1 385 385 LYS C C 13 176.882 0.022 . 1 . . 1739 . . 385 LYS C . 53407 1 1502 . 1 . 1 385 385 LYS CA C 13 56.458 0.01 . 1 . . 1740 . . 385 LYS CA . 53407 1 1503 . 1 . 1 385 385 LYS CB C 13 33.068 . . 1 . . 202 . . 385 LYS CB . 53407 1 1504 . 1 . 1 385 385 LYS N N 15 120.872 0.015 . 1 . . 1738 . . 385 LYS N . 53407 1 1505 . 1 . 1 386 386 THR H H 1 8.177 0.007 . 1 . . 1741 . . 386 THR H . 53407 1 1506 . 1 . 1 386 386 THR C C 13 174.158 0.019 . 1 . . 1743 . . 386 THR C . 53407 1 1507 . 1 . 1 386 386 THR CA C 13 61.677 0.022 . 1 . . 1744 . . 386 THR CA . 53407 1 1508 . 1 . 1 386 386 THR CB C 13 69.973 . . 1 . . 203 . . 386 THR CB . 53407 1 1509 . 1 . 1 386 386 THR N N 15 114.856 0.039 . 1 . . 1742 . . 386 THR N . 53407 1 1510 . 1 . 1 387 387 ASP H H 1 8.368 0.003 . 1 . . 1886 . . 387 ASP H . 53407 1 1511 . 1 . 1 387 387 ASP C C 13 176.205 . . 1 . . 206 . . 387 ASP C . 53407 1 1512 . 1 . 1 387 387 ASP CA C 13 55.303 . . 1 . . 204 . . 387 ASP CA . 53407 1 1513 . 1 . 1 387 387 ASP CB C 13 42.343 . . 1 . . 205 . . 387 ASP CB . 53407 1 1514 . 1 . 1 387 387 ASP N N 15 122.722 0.012 . 1 . . 1887 . . 387 ASP N . 53407 1 1515 . 1 . 1 388 388 HIS C C 13 175.890 . . 1 . . 694 . . 388 HIS C . 53407 1 1516 . 1 . 1 389 389 GLY H H 1 8.516 0.015 . 1 . . 1806 . . 389 GLY H . 53407 1 1517 . 1 . 1 389 389 GLY C C 13 173.954 0.014 . 1 . . 224 . . 389 GLY C . 53407 1 1518 . 1 . 1 389 389 GLY CA C 13 45.494 0.005 . 1 . . 225 . . 389 GLY CA . 53407 1 1519 . 1 . 1 389 389 GLY N N 15 110.084 0.038 . 1 . . 1807 . . 389 GLY N . 53407 1 1520 . 1 . 1 390 390 ALA H H 1 8.153 0.013 . 1 . . 1745 . . 390 ALA H . 53407 1 1521 . 1 . 1 390 390 ALA C C 13 177.678 0.016 . 1 . . 1747 . . 390 ALA C . 53407 1 1522 . 1 . 1 390 390 ALA CA C 13 52.415 0.038 . 1 . . 1748 . . 390 ALA CA . 53407 1 1523 . 1 . 1 390 390 ALA CB C 13 19.416 . . 1 . . 223 . . 390 ALA CB . 53407 1 1524 . 1 . 1 390 390 ALA N N 15 123.712 0.01 . 1 . . 1746 . . 390 ALA N . 53407 1 1525 . 1 . 1 391 391 GLU H H 1 8.423 0.003 . 1 . . 1750 . . 391 GLU H . 53407 1 1526 . 1 . 1 391 391 GLU C C 13 176.361 0.005 . 1 . . 1751 . . 391 GLU C . 53407 1 1527 . 1 . 1 391 391 GLU CA C 13 56.584 0.017 . 1 . . 1752 . . 391 GLU CA . 53407 1 1528 . 1 . 1 391 391 GLU CB C 13 30.218 . . 1 . . 222 . . 391 GLU CB . 53407 1 1529 . 1 . 1 391 391 GLU N N 15 120.219 0.018 . 1 . . 1749 . . 391 GLU N . 53407 1 1530 . 1 . 1 392 392 ILE H H 1 8.197 0.001 . 1 . . 1753 . . 392 ILE H . 53407 1 1531 . 1 . 1 392 392 ILE C C 13 175.847 0.013 . 1 . . 219 . . 392 ILE C . 53407 1 1532 . 1 . 1 392 392 ILE CA C 13 61.063 0.02 . 1 . . 220 . . 392 ILE CA . 53407 1 1533 . 1 . 1 392 392 ILE CB C 13 38.642 . . 1 . . 221 . . 392 ILE CB . 53407 1 1534 . 1 . 1 392 392 ILE N N 15 123.026 0.026 . 1 . . 1754 . . 392 ILE N . 53407 1 1535 . 1 . 1 393 393 VAL H H 1 8.176 0.001 . 1 . . 1755 . . 393 VAL H . 53407 1 1536 . 1 . 1 393 393 VAL C C 13 175.578 0.008 . 1 . . 207 . . 393 VAL C . 53407 1 1537 . 1 . 1 393 393 VAL CA C 13 62.053 0.019 . 1 . . 208 . . 393 VAL CA . 53407 1 1538 . 1 . 1 393 393 VAL CB C 13 32.893 . . 1 . . 209 . . 393 VAL CB . 53407 1 1539 . 1 . 1 393 393 VAL N N 15 125.352 0.036 . 1 . . 1756 . . 393 VAL N . 53407 1 1540 . 1 . 1 394 394 TYR H H 1 8.429 0.001 . 1 . . 1757 . . 394 TYR H . 53407 1 1541 . 1 . 1 394 394 TYR C C 13 175.092 0.009 . 1 . . 210 . . 394 TYR C . 53407 1 1542 . 1 . 1 394 394 TYR CA C 13 58.175 0.015 . 1 . . 211 . . 394 TYR CA . 53407 1 1543 . 1 . 1 394 394 TYR CB C 13 38.977 . . 1 . . 212 . . 394 TYR CB . 53407 1 1544 . 1 . 1 394 394 TYR N N 15 125.914 0.033 . 1 . . 1758 . . 394 TYR N . 53407 1 1545 . 1 . 1 395 395 LYS H H 1 8.033 0.005 . 1 . . 1759 . . 395 LYS H . 53407 1 1546 . 1 . 1 395 395 LYS C C 13 174.863 0.019 . 1 . . 213 . . 395 LYS C . 53407 1 1547 . 1 . 1 395 395 LYS CA C 13 55.304 0.025 . 1 . . 214 . . 395 LYS CA . 53407 1 1548 . 1 . 1 395 395 LYS CB C 13 33.609 . . 1 . . 215 . . 395 LYS CB . 53407 1 1549 . 1 . 1 395 395 LYS N N 15 125.631 0.032 . 1 . . 1760 . . 395 LYS N . 53407 1 1550 . 1 . 1 396 396 ALA H H 1 8.277 0.002 . 1 . . 1761 . . 396 ALA H . 53407 1 1551 . 1 . 1 396 396 ALA C C 13 175.555 0.005 . 1 . . 216 . . 396 ALA C . 53407 1 1552 . 1 . 1 396 396 ALA CA C 13 50.468 . . 1 . . 217 . . 396 ALA CA . 53407 1 1553 . 1 . 1 396 396 ALA CB C 13 17.871 . . 1 . . 218 . . 396 ALA CB . 53407 1 1554 . 1 . 1 396 396 ALA N N 15 127.661 0.012 . 1 . . 1762 . . 396 ALA N . 53407 1 1555 . 1 . 1 397 397 PRO C C 13 176.730 . . 1 . . 695 . . 397 PRO C . 53407 1 1556 . 1 . 1 397 397 PRO N N 15 135.482 . . 1 . . 710 . . 397 PRO N . 53407 1 1557 . 1 . 1 398 398 VAL H H 1 8.292 0.002 . 1 . . 919 . . 398 VAL H . 53407 1 1558 . 1 . 1 398 398 VAL C C 13 176.366 0.015 . 1 . . 921 . . 398 VAL C . 53407 1 1559 . 1 . 1 398 398 VAL CA C 13 62.405 0.016 . 1 . . 922 . . 398 VAL CA . 53407 1 1560 . 1 . 1 398 398 VAL CB C 13 32.856 . . 1 . . 86 . . 398 VAL CB . 53407 1 1561 . 1 . 1 398 398 VAL N N 15 121.322 0.027 . 1 . . 920 . . 398 VAL N . 53407 1 1562 . 1 . 1 399 399 VAL H H 1 8.359 0.002 . 1 . . 923 . . 399 VAL H . 53407 1 1563 . 1 . 1 399 399 VAL C C 13 176.042 0.012 . 1 . . 925 . . 399 VAL C . 53407 1 1564 . 1 . 1 399 399 VAL CA C 13 62.016 0.022 . 1 . . 926 . . 399 VAL CA . 53407 1 1565 . 1 . 1 399 399 VAL CB C 13 32.925 . . 1 . . 85 . . 399 VAL CB . 53407 1 1566 . 1 . 1 399 399 VAL N N 15 124.904 0.035 . 1 . . 924 . . 399 VAL N . 53407 1 1567 . 1 . 1 400 400 SER H H 1 8.483 0.002 . 1 . . 927 . . 400 SER H . 53407 1 1568 . 1 . 1 400 400 SER C C 13 175.013 0.005 . 1 . . 929 . . 400 SER C . 53407 1 1569 . 1 . 1 400 400 SER CA C 13 58.381 0.007 . 1 . . 930 . . 400 SER CA . 53407 1 1570 . 1 . 1 400 400 SER CB C 13 64.003 . . 1 . . 80 . . 400 SER CB . 53407 1 1571 . 1 . 1 400 400 SER N N 15 120.226 0.026 . 1 . . 928 . . 400 SER N . 53407 1 1572 . 1 . 1 401 401 GLY H H 1 8.513 0.002 . 1 . . 932 . . 401 GLY H . 53407 1 1573 . 1 . 1 401 401 GLY C C 13 173.972 0.004 . 1 . . 87 . . 401 GLY C . 53407 1 1574 . 1 . 1 401 401 GLY CA C 13 45.392 0.004 . 1 . . 81 . . 401 GLY CA . 53407 1 1575 . 1 . 1 401 401 GLY N N 15 111.389 0.009 . 1 . . 931 . . 401 GLY N . 53407 1 1576 . 1 . 1 402 402 ASP H H 1 8.311 0.001 . 1 . . 933 . . 402 ASP H . 53407 1 1577 . 1 . 1 402 402 ASP C C 13 176.622 0.006 . 1 . . 935 . . 402 ASP C . 53407 1 1578 . 1 . 1 402 402 ASP CA C 13 54.515 0.015 . 1 . . 936 . . 402 ASP CA . 53407 1 1579 . 1 . 1 402 402 ASP CB C 13 41.277 . . 1 . . 82 . . 402 ASP CB . 53407 1 1580 . 1 . 1 402 402 ASP N N 15 120.587 0.011 . 1 . . 934 . . 402 ASP N . 53407 1 1581 . 1 . 1 403 403 THR H H 1 8.132 0.003 . 1 . . 938 . . 403 THR H . 53407 1 1582 . 1 . 1 403 403 THR C C 13 174.167 0.01 . 1 . . 939 . . 403 THR C . 53407 1 1583 . 1 . 1 403 403 THR CA C 13 61.697 0.02 . 1 . . 940 . . 403 THR CA . 53407 1 1584 . 1 . 1 403 403 THR CB C 13 69.864 . . 1 . . 83 . . 403 THR CB . 53407 1 1585 . 1 . 1 403 403 THR N N 15 114.117 0.012 . 1 . . 937 . . 403 THR N . 53407 1 1586 . 1 . 1 404 404 ALA H H 1 8.262 0.001 . 1 . . 941 . . 404 ALA H . 53407 1 1587 . 1 . 1 404 404 ALA C C 13 175.445 0.014 . 1 . . 943 . . 404 ALA C . 53407 1 1588 . 1 . 1 404 404 ALA CA C 13 50.820 0.002 . 1 . . 944 . . 404 ALA CA . 53407 1 1589 . 1 . 1 404 404 ALA CB C 13 18.100 . . 1 . . 84 . . 404 ALA CB . 53407 1 1590 . 1 . 1 404 404 ALA N N 15 127.986 0.012 . 1 . . 942 . . 404 ALA N . 53407 1 1591 . 1 . 1 405 405 PRO N N 15 135.769 . . 1 . . 711 . . 405 PRO N . 53407 1 1592 . 1 . 1 408 408 LEU C C 13 177.224 . . 1 . . 696 . . 408 LEU C . 53407 1 1593 . 1 . 1 409 409 SER H H 1 8.320 0.003 . 1 . . 873 . . 409 SER H . 53407 1 1594 . 1 . 1 409 409 SER C C 13 174.270 . . 1 . . 875 . . 409 SER C . 53407 1 1595 . 1 . 1 409 409 SER CA C 13 58.425 0.012 . 1 . . 876 . . 409 SER CA . 53407 1 1596 . 1 . 1 409 409 SER CB C 13 63.901 . . 1 . . 581 . . 409 SER CB . 53407 1 1597 . 1 . 1 409 409 SER N N 15 116.266 0.008 . 1 . . 874 . . 409 SER N . 53407 1 1598 . 1 . 1 410 410 ASN C C 13 175.188 . . 1 . . 76 . . 410 ASN C . 53407 1 1599 . 1 . 1 411 411 VAL H H 1 8.078 0.002 . 1 . . 877 . . 411 VAL H . 53407 1 1600 . 1 . 1 411 411 VAL C C 13 176.251 0.01 . 1 . . 879 . . 411 VAL C . 53407 1 1601 . 1 . 1 411 411 VAL CA C 13 62.428 0.013 . 1 . . 880 . . 411 VAL CA . 53407 1 1602 . 1 . 1 411 411 VAL CB C 13 32.770 . . 1 . . 73 . . 411 VAL CB . 53407 1 1603 . 1 . 1 411 411 VAL N N 15 119.785 0.009 . 1 . . 878 . . 411 VAL N . 53407 1 1604 . 1 . 1 412 412 SER H H 1 8.455 0.001 . 1 . . 881 . . 412 SER H . 53407 1 1605 . 1 . 1 412 412 SER C C 13 174.819 0.043 . 1 . . 883 . . 412 SER C . 53407 1 1606 . 1 . 1 412 412 SER CA C 13 58.323 0.023 . 1 . . 884 . . 412 SER CA . 53407 1 1607 . 1 . 1 412 412 SER CB C 13 63.948 . . 1 . . 72 . . 412 SER CB . 53407 1 1608 . 1 . 1 412 412 SER N N 15 119.422 0.021 . 1 . . 882 . . 412 SER N . 53407 1 1609 . 1 . 1 413 413 SER C C 13 175.040 . . 1 . . 697 . . 413 SER C . 53407 1 1610 . 1 . 1 414 414 THR H H 1 8.242 0.001 . 1 . . 885 . . 414 THR H . 53407 1 1611 . 1 . 1 414 414 THR C C 13 175.284 0.01 . 1 . . 887 . . 414 THR C . 53407 1 1612 . 1 . 1 414 414 THR CA C 13 62.178 0.014 . 1 . . 888 . . 414 THR CA . 53407 1 1613 . 1 . 1 414 414 THR CB C 13 69.727 . . 1 . . 67 . . 414 THR CB . 53407 1 1614 . 1 . 1 414 414 THR N N 15 115.023 0.006 . 1 . . 886 . . 414 THR N . 53407 1 1615 . 1 . 1 415 415 GLY H H 1 8.375 0.003 . 1 . . 889 . . 415 GLY H . 53407 1 1616 . 1 . 1 415 415 GLY C C 13 174.037 0.012 . 1 . . 65 . . 415 GLY C . 53407 1 1617 . 1 . 1 415 415 GLY CA C 13 45.383 0.01 . 1 . . 66 . . 415 GLY CA . 53407 1 1618 . 1 . 1 415 415 GLY N N 15 111.209 0.015 . 1 . . 890 . . 415 GLY N . 53407 1 1619 . 1 . 1 416 416 SER H H 1 8.199 0.003 . 1 . . 891 . . 416 SER H . 53407 1 1620 . 1 . 1 416 416 SER C C 13 174.707 0.012 . 1 . . 893 . . 416 SER C . 53407 1 1621 . 1 . 1 416 416 SER CA C 13 58.185 0.012 . 1 . . 894 . . 416 SER CA . 53407 1 1622 . 1 . 1 416 416 SER CB C 13 63.934 . . 1 . . 79 . . 416 SER CB . 53407 1 1623 . 1 . 1 416 416 SER N N 15 115.807 0.006 . 1 . . 892 . . 416 SER N . 53407 1 1624 . 1 . 1 417 417 ILE H H 1 8.248 0.002 . 1 . . 895 . . 417 ILE H . 53407 1 1625 . 1 . 1 417 417 ILE C C 13 175.843 0.008 . 1 . . 897 . . 417 ILE C . 53407 1 1626 . 1 . 1 417 417 ILE CA C 13 61.332 0.015 . 1 . . 898 . . 417 ILE CA . 53407 1 1627 . 1 . 1 417 417 ILE CB C 13 38.961 . . 1 . . 537 . . 417 ILE CB . 53407 1 1628 . 1 . 1 417 417 ILE N N 15 122.152 0.015 . 1 . . 896 . . 417 ILE N . 53407 1 1629 . 1 . 1 418 418 ASP H H 1 8.372 0.001 . 1 . . 899 . . 418 ASP H . 53407 1 1630 . 1 . 1 418 418 ASP C C 13 176.006 0.006 . 1 . . 901 . . 418 ASP C . 53407 1 1631 . 1 . 1 418 418 ASP CA C 13 54.459 0.013 . 1 . . 902 . . 418 ASP CA . 53407 1 1632 . 1 . 1 418 418 ASP CB C 13 41.179 . . 1 . . 541 . . 418 ASP CB . 53407 1 1633 . 1 . 1 418 418 ASP N N 15 123.835 0.016 . 1 . . 900 . . 418 ASP N . 53407 1 1634 . 1 . 1 419 419 MET H H 1 8.259 0.001 . 1 . . 903 . . 419 MET H . 53407 1 1635 . 1 . 1 419 419 MET C C 13 176.200 0.011 . 1 . . 905 . . 419 MET C . 53407 1 1636 . 1 . 1 419 419 MET CA C 13 55.471 0.015 . 1 . . 906 . . 419 MET CA . 53407 1 1637 . 1 . 1 419 419 MET CB C 13 32.833 . . 1 . . 542 . . 419 MET CB . 53407 1 1638 . 1 . 1 419 419 MET N N 15 120.994 0.012 . 1 . . 904 . . 419 MET N . 53407 1 1639 . 1 . 1 420 420 VAL H H 1 8.146 0.002 . 1 . . 907 . . 420 VAL H . 53407 1 1640 . 1 . 1 420 420 VAL C C 13 175.802 0.013 . 1 . . 909 . . 420 VAL C . 53407 1 1641 . 1 . 1 420 420 VAL CA C 13 62.572 0.013 . 1 . . 910 . . 420 VAL CA . 53407 1 1642 . 1 . 1 420 420 VAL CB C 13 32.805 . . 1 . . 543 . . 420 VAL CB . 53407 1 1643 . 1 . 1 420 420 VAL N N 15 121.355 0.017 . 1 . . 908 . . 420 VAL N . 53407 1 1644 . 1 . 1 421 421 ASP H H 1 8.393 0.003 . 1 . . 911 . . 421 ASP H . 53407 1 1645 . 1 . 1 421 421 ASP C C 13 175.387 0.002 . 1 . . 913 . . 421 ASP C . 53407 1 1646 . 1 . 1 421 421 ASP CA C 13 54.185 0.025 . 1 . . 914 . . 421 ASP CA . 53407 1 1647 . 1 . 1 421 421 ASP CB C 13 41.161 . . 1 . . 544 . . 421 ASP CB . 53407 1 1648 . 1 . 1 421 421 ASP N N 15 123.663 0.004 . 1 . . 912 . . 421 ASP N . 53407 1 1649 . 1 . 1 422 422 ALA H H 1 8.117 0.002 . 1 . . 916 . . 422 ALA H . 53407 1 1650 . 1 . 1 422 422 ALA C C 13 175.454 0.014 . 1 . . 917 . . 422 ALA C . 53407 1 1651 . 1 . 1 422 422 ALA CA C 13 50.823 0.011 . 1 . . 918 . . 422 ALA CA . 53407 1 1652 . 1 . 1 422 422 ALA CB C 13 18.271 . . 1 . . 545 . . 422 ALA CB . 53407 1 1653 . 1 . 1 422 422 ALA N N 15 125.163 0.008 . 1 . . 915 . . 422 ALA N . 53407 1 1654 . 1 . 1 423 423 PRO C C 13 177.069 . . 1 . . 599 . . 423 PRO C . 53407 1 1655 . 1 . 1 423 423 PRO N N 15 135.778 0.021 . 1 . . 712 . . 423 PRO N . 53407 1 1656 . 1 . 1 424 424 GLN H H 1 8.525 0.002 . 1 . . 824 . . 424 GLN H . 53407 1 1657 . 1 . 1 424 424 GLN C C 13 176.170 0.012 . 1 . . 826 . . 424 GLN C . 53407 1 1658 . 1 . 1 424 424 GLN CA C 13 55.777 0.022 . 1 . . 827 . . 424 GLN CA . 53407 1 1659 . 1 . 1 424 424 GLN CB C 13 29.284 . . 1 . . 64 . . 424 GLN CB . 53407 1 1660 . 1 . 1 424 424 GLN N N 15 120.520 0.015 . 1 . . 825 . . 424 GLN N . 53407 1 1661 . 1 . 1 425 425 LEU H H 1 8.284 0.003 . 1 . . 829 . . 425 LEU H . 53407 1 1662 . 1 . 1 425 425 LEU C C 13 177.290 0.011 . 1 . . 830 . . 425 LEU C . 53407 1 1663 . 1 . 1 425 425 LEU CA C 13 55.258 0.024 . 1 . . 831 . . 425 LEU CA . 53407 1 1664 . 1 . 1 425 425 LEU CB C 13 42.409 . . 1 . . 63 . . 425 LEU CB . 53407 1 1665 . 1 . 1 425 425 LEU N N 15 123.815 0.015 . 1 . . 828 . . 425 LEU N . 53407 1 1666 . 1 . 1 426 426 ALA H H 1 8.341 0.002 . 1 . . 832 . . 426 ALA H . 53407 1 1667 . 1 . 1 426 426 ALA C C 13 177.946 0.013 . 1 . . 838 . . 426 ALA C . 53407 1 1668 . 1 . 1 426 426 ALA CA C 13 52.742 0.006 . 1 . . 839 . . 426 ALA CA . 53407 1 1669 . 1 . 1 426 426 ALA CB C 13 19.318 . . 1 . . 62 . . 426 ALA CB . 53407 1 1670 . 1 . 1 426 426 ALA N N 15 124.862 0.011 . 1 . . 833 . . 426 ALA N . 53407 1 1671 . 1 . 1 427 427 THR H H 1 8.116 0.002 . 1 . . 834 . . 427 THR H . 53407 1 1672 . 1 . 1 427 427 THR C C 13 174.722 0.008 . 1 . . 836 . . 427 THR C . 53407 1 1673 . 1 . 1 427 427 THR CA C 13 61.904 0.012 . 1 . . 837 . . 427 THR CA . 53407 1 1674 . 1 . 1 427 427 THR CB C 13 69.977 . . 1 . . 61 . . 427 THR CB . 53407 1 1675 . 1 . 1 427 427 THR N N 15 113.444 0.032 . 1 . . 835 . . 427 THR N . 53407 1 1676 . 1 . 1 428 428 LEU H H 1 8.268 0.002 . 1 . . 840 . . 428 LEU H . 53407 1 1677 . 1 . 1 428 428 LEU C C 13 177.344 0.023 . 1 . . 842 . . 428 LEU C . 53407 1 1678 . 1 . 1 428 428 LEU CA C 13 55.393 0.01 . 1 . . 843 . . 428 LEU CA . 53407 1 1679 . 1 . 1 428 428 LEU CB C 13 42.256 . . 1 . . 60 . . 428 LEU CB . 53407 1 1680 . 1 . 1 428 428 LEU N N 15 124.673 0.011 . 1 . . 841 . . 428 LEU N . 53407 1 1681 . 1 . 1 429 429 ALA H H 1 8.285 0.001 . 1 . . 844 . . 429 ALA H . 53407 1 1682 . 1 . 1 429 429 ALA C C 13 177.879 . . 1 . . 58 . . 429 ALA C . 53407 1 1683 . 1 . 1 429 429 ALA CA C 13 52.965 . . 1 . . 57 . . 429 ALA CA . 53407 1 1684 . 1 . 1 429 429 ALA CB C 13 19.185 . . 1 . . 59 . . 429 ALA CB . 53407 1 1685 . 1 . 1 429 429 ALA N N 15 124.439 0.01 . 1 . . 845 . . 429 ALA N . 53407 1 1686 . 1 . 1 430 430 ASP H H 1 8.238 0.002 . 1 . . 846 . . 430 ASP H . 53407 1 1687 . 1 . 1 430 430 ASP C C 13 176.701 0.008 . 1 . . 848 . . 430 ASP C . 53407 1 1688 . 1 . 1 430 430 ASP CA C 13 54.797 0.023 . 1 . . 849 . . 430 ASP CA . 53407 1 1689 . 1 . 1 430 430 ASP CB C 13 41.093 . . 1 . . 56 . . 430 ASP CB . 53407 1 1690 . 1 . 1 430 430 ASP N N 15 119.414 0.01 . 1 . . 847 . . 430 ASP N . 53407 1 1691 . 1 . 1 431 431 GLU H H 1 8.344 0.003 . 1 . . 850 . . 431 GLU H . 53407 1 1692 . 1 . 1 431 431 GLU C C 13 177.386 0.012 . 1 . . 852 . . 431 GLU C . 53407 1 1693 . 1 . 1 431 431 GLU CA C 13 57.370 0.024 . 1 . . 853 . . 431 GLU CA . 53407 1 1694 . 1 . 1 431 431 GLU CB C 13 30.269 . . 1 . . 55 . . 431 GLU CB . 53407 1 1695 . 1 . 1 431 431 GLU N N 15 121.150 0.014 . 1 . . 851 . . 431 GLU N . 53407 1 1696 . 1 . 1 432 432 VAL H H 1 8.181 0.002 . 1 . . 854 . . 432 VAL H . 53407 1 1697 . 1 . 1 432 432 VAL C C 13 177.175 0.014 . 1 . . 856 . . 432 VAL C . 53407 1 1698 . 1 . 1 432 432 VAL CA C 13 63.568 0.041 . 1 . . 857 . . 432 VAL CA . 53407 1 1699 . 1 . 1 432 432 VAL CB C 13 32.441 . . 1 . . 54 . . 432 VAL CB . 53407 1 1700 . 1 . 1 432 432 VAL N N 15 121.205 0.024 . 1 . . 855 . . 432 VAL N . 53407 1 1701 . 1 . 1 433 433 SER H H 1 8.354 0.003 . 1 . . 858 . . 433 SER H . 53407 1 1702 . 1 . 1 433 433 SER C C 13 175.387 0.033 . 1 . . 860 . . 433 SER C . 53407 1 1703 . 1 . 1 433 433 SER CA C 13 59.380 0.016 . 1 . . 861 . . 433 SER CA . 53407 1 1704 . 1 . 1 433 433 SER CB C 13 63.337 . . 1 . . 53 . . 433 SER CB . 53407 1 1705 . 1 . 1 433 433 SER N N 15 118.465 0.015 . 1 . . 859 . . 433 SER N . 53407 1 1706 . 1 . 1 434 434 ALA H H 1 8.330 0.002 . 1 . . 862 . . 434 ALA H . 53407 1 1707 . 1 . 1 434 434 ALA C C 13 178.569 0.008 . 1 . . 1920 . . 434 ALA C . 53407 1 1708 . 1 . 1 434 434 ALA CA C 13 53.495 0.031 . 1 . . 1921 . . 434 ALA CA . 53407 1 1709 . 1 . 1 434 434 ALA CB C 13 18.878 . . 1 . . 52 . . 434 ALA CB . 53407 1 1710 . 1 . 1 434 434 ALA N N 15 125.799 0.013 . 1 . . 863 . . 434 ALA N . 53407 1 1711 . 1 . 1 435 435 SER H H 1 8.146 0.005 . 1 . . 864 . . 435 SER H . 53407 1 1712 . 1 . 1 435 435 SER C C 13 175.391 0.01 . 1 . . 865 . . 435 SER C . 53407 1 1713 . 1 . 1 435 435 SER CA C 13 59.257 0.004 . 1 . . 866 . . 435 SER CA . 53407 1 1714 . 1 . 1 435 435 SER CB C 13 63.512 . . 1 . . 1899 . . 435 SER CB . 53407 1 1715 . 1 . 1 435 435 SER N N 15 114.310 0.02 . 1 . . 1919 . . 435 SER N . 53407 1 1716 . 1 . 1 436 436 LEU H H 1 8.065 0.004 . 1 . . 867 . . 436 LEU H . 53407 1 1717 . 1 . 1 436 436 LEU C C 13 177.790 0.005 . 1 . . 1916 . . 436 LEU C . 53407 1 1718 . 1 . 1 436 436 LEU CA C 13 55.825 0.019 . 1 . . 1918 . . 436 LEU CA . 53407 1 1719 . 1 . 1 436 436 LEU CB C 13 42.106 . . 1 . . 1898 . . 436 LEU CB . 53407 1 1720 . 1 . 1 436 436 LEU N N 15 123.662 0.013 . 1 . . 1917 . . 436 LEU N . 53407 1 1721 . 1 . 1 437 437 ALA H H 1 8.070 0.001 . 1 . . 868 . . 437 ALA H . 53407 1 1722 . 1 . 1 437 437 ALA C C 13 178.288 0.032 . 1 . . 1912 . . 437 ALA C . 53407 1 1723 . 1 . 1 437 437 ALA CA C 13 53.006 0.004 . 1 . . 1914 . . 437 ALA CA . 53407 1 1724 . 1 . 1 437 437 ALA CB C 13 18.906 . . 1 . . 1897 . . 437 ALA CB . 53407 1 1725 . 1 . 1 437 437 ALA N N 15 123.579 0.007 . 1 . . 1913 . . 437 ALA N . 53407 1 1726 . 1 . 1 438 438 LYS H H 1 8.094 0.001 . 1 . . 869 . . 438 LYS H . 53407 1 1727 . 1 . 1 438 438 LYS C C 13 176.766 0.015 . 1 . . 1910 . . 438 LYS C . 53407 1 1728 . 1 . 1 438 438 LYS CA C 13 56.570 0.002 . 1 . . 1915 . . 438 LYS CA . 53407 1 1729 . 1 . 1 438 438 LYS CB C 13 32.813 . . 1 . . 51 . . 438 LYS CB . 53407 1 1730 . 1 . 1 438 438 LYS N N 15 119.808 0.013 . 1 . . 1911 . . 438 LYS N . 53407 1 1731 . 1 . 1 439 439 GLN H H 1 8.259 0.002 . 1 . . 870 . . 439 GLN H . 53407 1 1732 . 1 . 1 439 439 GLN C C 13 176.370 0.013 . 1 . . 1906 . . 439 GLN C . 53407 1 1733 . 1 . 1 439 439 GLN CA C 13 56.119 0.02 . 1 . . 1908 . . 439 GLN CA . 53407 1 1734 . 1 . 1 439 439 GLN CB C 13 29.600 . . 1 . . 1909 . . 439 GLN CB . 53407 1 1735 . 1 . 1 439 439 GLN N N 15 120.853 0.02 . 1 . . 1907 . . 439 GLN N . 53407 1 1736 . 1 . 1 440 440 GLY H H 1 8.387 0.003 . 1 . . 871 . . 440 GLY H . 53407 1 1737 . 1 . 1 440 440 GLY C C 13 173.211 0.004 . 1 . . 1903 . . 440 GLY C . 53407 1 1738 . 1 . 1 440 440 GLY CA C 13 45.375 0.034 . 1 . . 1905 . . 440 GLY CA . 53407 1 1739 . 1 . 1 440 440 GLY N N 15 110.457 0.007 . 1 . . 1904 . . 440 GLY N . 53407 1 1740 . 1 . 1 441 441 LEU H H 1 7.780 0.002 . 1 . . 872 . . 441 LEU H . 53407 1 1741 . 1 . 1 441 441 LEU C C 13 173.636 0.016 . 1 . . 1902 . . 441 LEU C . 53407 1 1742 . 1 . 1 441 441 LEU CA C 13 56.579 0.01 . 1 . . 1901 . . 441 LEU CA . 53407 1 1743 . 1 . 1 441 441 LEU CB C 13 43.338 . . 1 . . 1896 . . 441 LEU CB . 53407 1 1744 . 1 . 1 441 441 LEU N N 15 127.180 0.01 . 1 . . 1900 . . 441 LEU N . 53407 1 stop_ save_