data_16273 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16273 _Entry.Title ; A PH domain within OCRL bridges clathrin mediated membrane trafficking to phosphoinositide metabolism ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-03 _Entry.Accession_date 2009-05-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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.Entry_ID 1 Yuxin Mao . . . 16273 2 Micheal Hodsdon . E. . 16273 3 Pietro 'De Camilli' . . . 16273 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . '?,not applicable' 'not applicable' . 16273 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID clathrin . 16273 endocytosis . 16273 INPP5B . 16273 OCRL . 16273 PH . 16273 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16273 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 674 16273 '15N chemical shifts' 163 16273 '1H chemical shifts' 1113 16273 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 3 . . 2010-05-28 2009-05-03 update BMRB 'edit entity/assembly name' 16273 2 . . 2009-07-13 2009-05-03 update BMRB 'complete entry citation' 16273 1 . . 2009-06-25 2009-05-03 original author 'original release' 16273 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KIG 'BMRB Entry Tracking System' 16273 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16273 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19536138 _Citation.Full_citation . _Citation.Title 'A PH domain within OCRL bridges clathrin-mediated membrane trafficking to phosphoinositide metabolism' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 13 _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 1831 _Citation.Page_last 1842 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuxin Mao . . . 16273 1 2 Daniel Balkin . M. . 16273 1 3 Roberto Zoncu . . . 16273 1 4 Kai Erdmann . S. . 16273 1 5 Livia Tomasini . . . 16273 1 6 Fenghua Hu . . . 16273 1 7 Moonsoo Jin . M. . 16273 1 8 Michael Hodsdon . E. . 16273 1 9 Pietro 'De Camilli' . . . 16273 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16273 _Assembly.ID 1 _Assembly.Name 'OCRL bridges clathrin-mediated membrane' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity A . yes native no no . . . 16273 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16273 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMDQSVAIQETLVEGE YCVIAVQGVLCKGDSRQSRL LGLVRYRLENDAQEHALFLY THRRMAITGDDVSLDQIVPL SKDFMLEEVSPDGELYILGS DVTVQLNTAELKLVFQLPFG SHTRTFLQEVARACPGFDPE TRDPEFEWLSRHTCAEPDAE SGPLGSMDQSVAIQETLVEG EYCVIAVQGVLCKGDSRQSR LLGLVRYRLENDAQEHALFL YTHRRMAITGDDVSLDQIVP LSKDFMLEEVSPDGELYILG SDVTVQLNTAELKLVFQLPF GSHTRTFLQEVARACPGFDP ETRDPEFEWLSRHTCAEPDA ESGPLGSMDQSVAIQETLVE GEYCVIAVQGVLCKGDSRQS RLLGLVRYRLENDAQEHALF LYTHRRMAITGDDVSLDQIV PLSKDFMLEEVSPDGELYIL GSDVTVQLNTAELKLVFQLP FGSHTRTFLQEVARACPGFD PETRDPEFEWLSRHTCAEPD AES ; _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 483 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 53980.047 _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 . GLY . 16273 1 2 . PRO . 16273 1 3 . LEU . 16273 1 4 . GLY . 16273 1 5 . SER . 16273 1 6 . MET . 16273 1 7 . ASP . 16273 1 8 . GLN . 16273 1 9 . SER . 16273 1 10 . VAL . 16273 1 11 . ALA . 16273 1 12 . ILE . 16273 1 13 . GLN . 16273 1 14 . GLU . 16273 1 15 . THR . 16273 1 16 . LEU . 16273 1 17 . VAL . 16273 1 18 . GLU . 16273 1 19 . GLY . 16273 1 20 . GLU . 16273 1 21 . TYR . 16273 1 22 . CYS . 16273 1 23 . VAL . 16273 1 24 . ILE . 16273 1 25 . ALA . 16273 1 26 . VAL . 16273 1 27 . GLN . 16273 1 28 . GLY . 16273 1 29 . VAL . 16273 1 30 . LEU . 16273 1 31 . CYS . 16273 1 32 . LYS . 16273 1 33 . GLY . 16273 1 34 . ASP . 16273 1 35 . SER . 16273 1 36 . ARG . 16273 1 37 . GLN . 16273 1 38 . SER . 16273 1 39 . ARG . 16273 1 40 . LEU . 16273 1 41 . LEU . 16273 1 42 . GLY . 16273 1 43 . LEU . 16273 1 44 . VAL . 16273 1 45 . ARG . 16273 1 46 . TYR . 16273 1 47 . ARG . 16273 1 48 . LEU . 16273 1 49 . GLU . 16273 1 50 . ASN . 16273 1 51 . ASP . 16273 1 52 . ALA . 16273 1 53 . GLN . 16273 1 54 . GLU . 16273 1 55 . HIS . 16273 1 56 . ALA . 16273 1 57 . LEU . 16273 1 58 . PHE . 16273 1 59 . LEU . 16273 1 60 . TYR . 16273 1 61 . THR . 16273 1 62 . HIS . 16273 1 63 . ARG . 16273 1 64 . ARG . 16273 1 65 . MET . 16273 1 66 . ALA . 16273 1 67 . ILE . 16273 1 68 . THR . 16273 1 69 . GLY . 16273 1 70 . ASP . 16273 1 71 . ASP . 16273 1 72 . VAL . 16273 1 73 . SER . 16273 1 74 . LEU . 16273 1 75 . ASP . 16273 1 76 . GLN . 16273 1 77 . ILE . 16273 1 78 . VAL . 16273 1 79 . PRO . 16273 1 80 . LEU . 16273 1 81 . SER . 16273 1 82 . LYS . 16273 1 83 . ASP . 16273 1 84 . PHE . 16273 1 85 . MET . 16273 1 86 . LEU . 16273 1 87 . GLU . 16273 1 88 . GLU . 16273 1 89 . VAL . 16273 1 90 . SER . 16273 1 91 . PRO . 16273 1 92 . ASP . 16273 1 93 . GLY . 16273 1 94 . GLU . 16273 1 95 . LEU . 16273 1 96 . TYR . 16273 1 97 . ILE . 16273 1 98 . LEU . 16273 1 99 . GLY . 16273 1 100 . SER . 16273 1 101 . ASP . 16273 1 102 . VAL . 16273 1 103 . THR . 16273 1 104 . VAL . 16273 1 105 . GLN . 16273 1 106 . LEU . 16273 1 107 . ASN . 16273 1 108 . THR . 16273 1 109 . ALA . 16273 1 110 . GLU . 16273 1 111 . LEU . 16273 1 112 . LYS . 16273 1 113 . LEU . 16273 1 114 . VAL . 16273 1 115 . PHE . 16273 1 116 . GLN . 16273 1 117 . LEU . 16273 1 118 . PRO . 16273 1 119 . PHE . 16273 1 120 . GLY . 16273 1 121 . SER . 16273 1 122 . HIS . 16273 1 123 . THR . 16273 1 124 . ARG . 16273 1 125 . THR . 16273 1 126 . PHE . 16273 1 127 . LEU . 16273 1 128 . GLN . 16273 1 129 . GLU . 16273 1 130 . VAL . 16273 1 131 . ALA . 16273 1 132 . ARG . 16273 1 133 . ALA . 16273 1 134 . CYS . 16273 1 135 . PRO . 16273 1 136 . GLY . 16273 1 137 . PHE . 16273 1 138 . ASP . 16273 1 139 . PRO . 16273 1 140 . GLU . 16273 1 141 . THR . 16273 1 142 . ARG . 16273 1 143 . ASP . 16273 1 144 . PRO . 16273 1 145 . GLU . 16273 1 146 . PHE . 16273 1 147 . GLU . 16273 1 148 . TRP . 16273 1 149 . LEU . 16273 1 150 . SER . 16273 1 151 . ARG . 16273 1 152 . HIS . 16273 1 153 . THR . 16273 1 154 . CYS . 16273 1 155 . ALA . 16273 1 156 . GLU . 16273 1 157 . PRO . 16273 1 158 . ASP . 16273 1 159 . ALA . 16273 1 160 . GLU . 16273 1 161 . SER . 16273 1 162 . GLY . 16273 1 163 . PRO . 16273 1 164 . LEU . 16273 1 165 . GLY . 16273 1 166 . SER . 16273 1 167 . MET . 16273 1 168 . ASP . 16273 1 169 . GLN . 16273 1 170 . SER . 16273 1 171 . VAL . 16273 1 172 . ALA . 16273 1 173 . ILE . 16273 1 174 . GLN . 16273 1 175 . GLU . 16273 1 176 . THR . 16273 1 177 . LEU . 16273 1 178 . VAL . 16273 1 179 . GLU . 16273 1 180 . GLY . 16273 1 181 . GLU . 16273 1 182 . TYR . 16273 1 183 . CYS . 16273 1 184 . VAL . 16273 1 185 . ILE . 16273 1 186 . ALA . 16273 1 187 . VAL . 16273 1 188 . GLN . 16273 1 189 . GLY . 16273 1 190 . VAL . 16273 1 191 . LEU . 16273 1 192 . CYS . 16273 1 193 . LYS . 16273 1 194 . GLY . 16273 1 195 . ASP . 16273 1 196 . SER . 16273 1 197 . ARG . 16273 1 198 . GLN . 16273 1 199 . SER . 16273 1 200 . ARG . 16273 1 201 . LEU . 16273 1 202 . LEU . 16273 1 203 . GLY . 16273 1 204 . LEU . 16273 1 205 . VAL . 16273 1 206 . ARG . 16273 1 207 . TYR . 16273 1 208 . ARG . 16273 1 209 . LEU . 16273 1 210 . GLU . 16273 1 211 . ASN . 16273 1 212 . ASP . 16273 1 213 . ALA . 16273 1 214 . GLN . 16273 1 215 . GLU . 16273 1 216 . HIS . 16273 1 217 . ALA . 16273 1 218 . LEU . 16273 1 219 . PHE . 16273 1 220 . LEU . 16273 1 221 . TYR . 16273 1 222 . THR . 16273 1 223 . HIS . 16273 1 224 . ARG . 16273 1 225 . ARG . 16273 1 226 . MET . 16273 1 227 . ALA . 16273 1 228 . ILE . 16273 1 229 . THR . 16273 1 230 . GLY . 16273 1 231 . ASP . 16273 1 232 . ASP . 16273 1 233 . VAL . 16273 1 234 . SER . 16273 1 235 . LEU . 16273 1 236 . ASP . 16273 1 237 . GLN . 16273 1 238 . ILE . 16273 1 239 . VAL . 16273 1 240 . PRO . 16273 1 241 . LEU . 16273 1 242 . SER . 16273 1 243 . LYS . 16273 1 244 . ASP . 16273 1 245 . PHE . 16273 1 246 . MET . 16273 1 247 . LEU . 16273 1 248 . GLU . 16273 1 249 . GLU . 16273 1 250 . VAL . 16273 1 251 . SER . 16273 1 252 . PRO . 16273 1 253 . ASP . 16273 1 254 . GLY . 16273 1 255 . GLU . 16273 1 256 . LEU . 16273 1 257 . TYR . 16273 1 258 . ILE . 16273 1 259 . LEU . 16273 1 260 . GLY . 16273 1 261 . SER . 16273 1 262 . ASP . 16273 1 263 . VAL . 16273 1 264 . THR . 16273 1 265 . VAL . 16273 1 266 . GLN . 16273 1 267 . LEU . 16273 1 268 . ASN . 16273 1 269 . THR . 16273 1 270 . ALA . 16273 1 271 . GLU . 16273 1 272 . LEU . 16273 1 273 . LYS . 16273 1 274 . LEU . 16273 1 275 . VAL . 16273 1 276 . PHE . 16273 1 277 . GLN . 16273 1 278 . LEU . 16273 1 279 . PRO . 16273 1 280 . PHE . 16273 1 281 . GLY . 16273 1 282 . SER . 16273 1 283 . HIS . 16273 1 284 . THR . 16273 1 285 . ARG . 16273 1 286 . THR . 16273 1 287 . PHE . 16273 1 288 . LEU . 16273 1 289 . GLN . 16273 1 290 . GLU . 16273 1 291 . VAL . 16273 1 292 . ALA . 16273 1 293 . ARG . 16273 1 294 . ALA . 16273 1 295 . CYS . 16273 1 296 . PRO . 16273 1 297 . GLY . 16273 1 298 . PHE . 16273 1 299 . ASP . 16273 1 300 . PRO . 16273 1 301 . GLU . 16273 1 302 . THR . 16273 1 303 . ARG . 16273 1 304 . ASP . 16273 1 305 . PRO . 16273 1 306 . GLU . 16273 1 307 . PHE . 16273 1 308 . GLU . 16273 1 309 . TRP . 16273 1 310 . LEU . 16273 1 311 . SER . 16273 1 312 . ARG . 16273 1 313 . HIS . 16273 1 314 . THR . 16273 1 315 . CYS . 16273 1 316 . ALA . 16273 1 317 . GLU . 16273 1 318 . PRO . 16273 1 319 . ASP . 16273 1 320 . ALA . 16273 1 321 . GLU . 16273 1 322 . SER . 16273 1 323 . GLY . 16273 1 324 . PRO . 16273 1 325 . LEU . 16273 1 326 . GLY . 16273 1 327 . SER . 16273 1 328 . MET . 16273 1 329 . ASP . 16273 1 330 . GLN . 16273 1 331 . SER . 16273 1 332 . VAL . 16273 1 333 . ALA . 16273 1 334 . ILE . 16273 1 335 . GLN . 16273 1 336 . GLU . 16273 1 337 . THR . 16273 1 338 . LEU . 16273 1 339 . VAL . 16273 1 340 . GLU . 16273 1 341 . GLY . 16273 1 342 . GLU . 16273 1 343 . TYR . 16273 1 344 . CYS . 16273 1 345 . VAL . 16273 1 346 . ILE . 16273 1 347 . ALA . 16273 1 348 . VAL . 16273 1 349 . GLN . 16273 1 350 . GLY . 16273 1 351 . VAL . 16273 1 352 . LEU . 16273 1 353 . CYS . 16273 1 354 . LYS . 16273 1 355 . GLY . 16273 1 356 . ASP . 16273 1 357 . SER . 16273 1 358 . ARG . 16273 1 359 . GLN . 16273 1 360 . SER . 16273 1 361 . ARG . 16273 1 362 . LEU . 16273 1 363 . LEU . 16273 1 364 . GLY . 16273 1 365 . LEU . 16273 1 366 . VAL . 16273 1 367 . ARG . 16273 1 368 . TYR . 16273 1 369 . ARG . 16273 1 370 . LEU . 16273 1 371 . GLU . 16273 1 372 . ASN . 16273 1 373 . ASP . 16273 1 374 . ALA . 16273 1 375 . GLN . 16273 1 376 . GLU . 16273 1 377 . HIS . 16273 1 378 . ALA . 16273 1 379 . LEU . 16273 1 380 . PHE . 16273 1 381 . LEU . 16273 1 382 . TYR . 16273 1 383 . THR . 16273 1 384 . HIS . 16273 1 385 . ARG . 16273 1 386 . ARG . 16273 1 387 . MET . 16273 1 388 . ALA . 16273 1 389 . ILE . 16273 1 390 . THR . 16273 1 391 . GLY . 16273 1 392 . ASP . 16273 1 393 . ASP . 16273 1 394 . VAL . 16273 1 395 . SER . 16273 1 396 . LEU . 16273 1 397 . ASP . 16273 1 398 . GLN . 16273 1 399 . ILE . 16273 1 400 . VAL . 16273 1 401 . PRO . 16273 1 402 . LEU . 16273 1 403 . SER . 16273 1 404 . LYS . 16273 1 405 . ASP . 16273 1 406 . PHE . 16273 1 407 . MET . 16273 1 408 . LEU . 16273 1 409 . GLU . 16273 1 410 . GLU . 16273 1 411 . VAL . 16273 1 412 . SER . 16273 1 413 . PRO . 16273 1 414 . ASP . 16273 1 415 . GLY . 16273 1 416 . GLU . 16273 1 417 . LEU . 16273 1 418 . TYR . 16273 1 419 . ILE . 16273 1 420 . LEU . 16273 1 421 . GLY . 16273 1 422 . SER . 16273 1 423 . ASP . 16273 1 424 . VAL . 16273 1 425 . THR . 16273 1 426 . VAL . 16273 1 427 . GLN . 16273 1 428 . LEU . 16273 1 429 . ASN . 16273 1 430 . THR . 16273 1 431 . ALA . 16273 1 432 . GLU . 16273 1 433 . LEU . 16273 1 434 . LYS . 16273 1 435 . LEU . 16273 1 436 . VAL . 16273 1 437 . PHE . 16273 1 438 . GLN . 16273 1 439 . LEU . 16273 1 440 . PRO . 16273 1 441 . PHE . 16273 1 442 . GLY . 16273 1 443 . SER . 16273 1 444 . HIS . 16273 1 445 . THR . 16273 1 446 . ARG . 16273 1 447 . THR . 16273 1 448 . PHE . 16273 1 449 . LEU . 16273 1 450 . GLN . 16273 1 451 . GLU . 16273 1 452 . VAL . 16273 1 453 . ALA . 16273 1 454 . ARG . 16273 1 455 . ALA . 16273 1 456 . CYS . 16273 1 457 . PRO . 16273 1 458 . GLY . 16273 1 459 . PHE . 16273 1 460 . ASP . 16273 1 461 . PRO . 16273 1 462 . GLU . 16273 1 463 . THR . 16273 1 464 . ARG . 16273 1 465 . ASP . 16273 1 466 . PRO . 16273 1 467 . GLU . 16273 1 468 . PHE . 16273 1 469 . GLU . 16273 1 470 . TRP . 16273 1 471 . LEU . 16273 1 472 . SER . 16273 1 473 . ARG . 16273 1 474 . HIS . 16273 1 475 . THR . 16273 1 476 . CYS . 16273 1 477 . ALA . 16273 1 478 . GLU . 16273 1 479 . PRO . 16273 1 480 . ASP . 16273 1 481 . ALA . 16273 1 482 . GLU . 16273 1 483 . SER . 16273 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 . GLY 1 1 16273 1 . PRO 2 2 16273 1 . LEU 3 3 16273 1 . GLY 4 4 16273 1 . SER 5 5 16273 1 . MET 6 6 16273 1 . ASP 7 7 16273 1 . GLN 8 8 16273 1 . SER 9 9 16273 1 . VAL 10 10 16273 1 . ALA 11 11 16273 1 . ILE 12 12 16273 1 . GLN 13 13 16273 1 . GLU 14 14 16273 1 . THR 15 15 16273 1 . LEU 16 16 16273 1 . VAL 17 17 16273 1 . GLU 18 18 16273 1 . GLY 19 19 16273 1 . GLU 20 20 16273 1 . TYR 21 21 16273 1 . CYS 22 22 16273 1 . VAL 23 23 16273 1 . ILE 24 24 16273 1 . ALA 25 25 16273 1 . VAL 26 26 16273 1 . GLN 27 27 16273 1 . GLY 28 28 16273 1 . VAL 29 29 16273 1 . LEU 30 30 16273 1 . CYS 31 31 16273 1 . LYS 32 32 16273 1 . GLY 33 33 16273 1 . ASP 34 34 16273 1 . SER 35 35 16273 1 . ARG 36 36 16273 1 . GLN 37 37 16273 1 . SER 38 38 16273 1 . ARG 39 39 16273 1 . LEU 40 40 16273 1 . LEU 41 41 16273 1 . GLY 42 42 16273 1 . LEU 43 43 16273 1 . VAL 44 44 16273 1 . ARG 45 45 16273 1 . TYR 46 46 16273 1 . ARG 47 47 16273 1 . LEU 48 48 16273 1 . GLU 49 49 16273 1 . ASN 50 50 16273 1 . ASP 51 51 16273 1 . ALA 52 52 16273 1 . GLN 53 53 16273 1 . GLU 54 54 16273 1 . HIS 55 55 16273 1 . ALA 56 56 16273 1 . LEU 57 57 16273 1 . PHE 58 58 16273 1 . LEU 59 59 16273 1 . TYR 60 60 16273 1 . THR 61 61 16273 1 . HIS 62 62 16273 1 . ARG 63 63 16273 1 . ARG 64 64 16273 1 . MET 65 65 16273 1 . ALA 66 66 16273 1 . ILE 67 67 16273 1 . THR 68 68 16273 1 . GLY 69 69 16273 1 . ASP 70 70 16273 1 . ASP 71 71 16273 1 . VAL 72 72 16273 1 . SER 73 73 16273 1 . LEU 74 74 16273 1 . ASP 75 75 16273 1 . GLN 76 76 16273 1 . ILE 77 77 16273 1 . VAL 78 78 16273 1 . PRO 79 79 16273 1 . LEU 80 80 16273 1 . SER 81 81 16273 1 . LYS 82 82 16273 1 . ASP 83 83 16273 1 . PHE 84 84 16273 1 . MET 85 85 16273 1 . LEU 86 86 16273 1 . GLU 87 87 16273 1 . GLU 88 88 16273 1 . VAL 89 89 16273 1 . SER 90 90 16273 1 . PRO 91 91 16273 1 . ASP 92 92 16273 1 . GLY 93 93 16273 1 . GLU 94 94 16273 1 . LEU 95 95 16273 1 . TYR 96 96 16273 1 . ILE 97 97 16273 1 . LEU 98 98 16273 1 . GLY 99 99 16273 1 . SER 100 100 16273 1 . ASP 101 101 16273 1 . VAL 102 102 16273 1 . THR 103 103 16273 1 . VAL 104 104 16273 1 . GLN 105 105 16273 1 . LEU 106 106 16273 1 . ASN 107 107 16273 1 . THR 108 108 16273 1 . ALA 109 109 16273 1 . GLU 110 110 16273 1 . LEU 111 111 16273 1 . LYS 112 112 16273 1 . LEU 113 113 16273 1 . VAL 114 114 16273 1 . PHE 115 115 16273 1 . GLN 116 116 16273 1 . LEU 117 117 16273 1 . PRO 118 118 16273 1 . PHE 119 119 16273 1 . GLY 120 120 16273 1 . SER 121 121 16273 1 . HIS 122 122 16273 1 . THR 123 123 16273 1 . ARG 124 124 16273 1 . THR 125 125 16273 1 . PHE 126 126 16273 1 . LEU 127 127 16273 1 . GLN 128 128 16273 1 . GLU 129 129 16273 1 . VAL 130 130 16273 1 . ALA 131 131 16273 1 . ARG 132 132 16273 1 . ALA 133 133 16273 1 . CYS 134 134 16273 1 . PRO 135 135 16273 1 . GLY 136 136 16273 1 . PHE 137 137 16273 1 . ASP 138 138 16273 1 . PRO 139 139 16273 1 . GLU 140 140 16273 1 . THR 141 141 16273 1 . ARG 142 142 16273 1 . ASP 143 143 16273 1 . PRO 144 144 16273 1 . GLU 145 145 16273 1 . PHE 146 146 16273 1 . GLU 147 147 16273 1 . TRP 148 148 16273 1 . LEU 149 149 16273 1 . SER 150 150 16273 1 . ARG 151 151 16273 1 . HIS 152 152 16273 1 . THR 153 153 16273 1 . CYS 154 154 16273 1 . ALA 155 155 16273 1 . GLU 156 156 16273 1 . PRO 157 157 16273 1 . ASP 158 158 16273 1 . ALA 159 159 16273 1 . GLU 160 160 16273 1 . SER 161 161 16273 1 . GLY 162 162 16273 1 . PRO 163 163 16273 1 . LEU 164 164 16273 1 . GLY 165 165 16273 1 . SER 166 166 16273 1 . MET 167 167 16273 1 . ASP 168 168 16273 1 . GLN 169 169 16273 1 . SER 170 170 16273 1 . VAL 171 171 16273 1 . ALA 172 172 16273 1 . ILE 173 173 16273 1 . GLN 174 174 16273 1 . GLU 175 175 16273 1 . THR 176 176 16273 1 . LEU 177 177 16273 1 . VAL 178 178 16273 1 . GLU 179 179 16273 1 . GLY 180 180 16273 1 . GLU 181 181 16273 1 . TYR 182 182 16273 1 . CYS 183 183 16273 1 . VAL 184 184 16273 1 . ILE 185 185 16273 1 . ALA 186 186 16273 1 . VAL 187 187 16273 1 . GLN 188 188 16273 1 . GLY 189 189 16273 1 . VAL 190 190 16273 1 . LEU 191 191 16273 1 . CYS 192 192 16273 1 . LYS 193 193 16273 1 . GLY 194 194 16273 1 . ASP 195 195 16273 1 . SER 196 196 16273 1 . ARG 197 197 16273 1 . GLN 198 198 16273 1 . SER 199 199 16273 1 . ARG 200 200 16273 1 . LEU 201 201 16273 1 . LEU 202 202 16273 1 . GLY 203 203 16273 1 . LEU 204 204 16273 1 . VAL 205 205 16273 1 . ARG 206 206 16273 1 . TYR 207 207 16273 1 . ARG 208 208 16273 1 . LEU 209 209 16273 1 . GLU 210 210 16273 1 . ASN 211 211 16273 1 . ASP 212 212 16273 1 . ALA 213 213 16273 1 . GLN 214 214 16273 1 . GLU 215 215 16273 1 . HIS 216 216 16273 1 . ALA 217 217 16273 1 . LEU 218 218 16273 1 . PHE 219 219 16273 1 . LEU 220 220 16273 1 . TYR 221 221 16273 1 . THR 222 222 16273 1 . HIS 223 223 16273 1 . ARG 224 224 16273 1 . ARG 225 225 16273 1 . MET 226 226 16273 1 . ALA 227 227 16273 1 . ILE 228 228 16273 1 . THR 229 229 16273 1 . GLY 230 230 16273 1 . ASP 231 231 16273 1 . ASP 232 232 16273 1 . VAL 233 233 16273 1 . SER 234 234 16273 1 . LEU 235 235 16273 1 . ASP 236 236 16273 1 . GLN 237 237 16273 1 . ILE 238 238 16273 1 . VAL 239 239 16273 1 . PRO 240 240 16273 1 . LEU 241 241 16273 1 . SER 242 242 16273 1 . LYS 243 243 16273 1 . ASP 244 244 16273 1 . PHE 245 245 16273 1 . MET 246 246 16273 1 . LEU 247 247 16273 1 . GLU 248 248 16273 1 . GLU 249 249 16273 1 . VAL 250 250 16273 1 . SER 251 251 16273 1 . PRO 252 252 16273 1 . ASP 253 253 16273 1 . GLY 254 254 16273 1 . GLU 255 255 16273 1 . LEU 256 256 16273 1 . TYR 257 257 16273 1 . ILE 258 258 16273 1 . LEU 259 259 16273 1 . GLY 260 260 16273 1 . SER 261 261 16273 1 . ASP 262 262 16273 1 . VAL 263 263 16273 1 . THR 264 264 16273 1 . VAL 265 265 16273 1 . GLN 266 266 16273 1 . LEU 267 267 16273 1 . ASN 268 268 16273 1 . THR 269 269 16273 1 . ALA 270 270 16273 1 . GLU 271 271 16273 1 . LEU 272 272 16273 1 . LYS 273 273 16273 1 . LEU 274 274 16273 1 . VAL 275 275 16273 1 . PHE 276 276 16273 1 . GLN 277 277 16273 1 . LEU 278 278 16273 1 . PRO 279 279 16273 1 . PHE 280 280 16273 1 . GLY 281 281 16273 1 . SER 282 282 16273 1 . HIS 283 283 16273 1 . THR 284 284 16273 1 . ARG 285 285 16273 1 . THR 286 286 16273 1 . PHE 287 287 16273 1 . LEU 288 288 16273 1 . GLN 289 289 16273 1 . GLU 290 290 16273 1 . VAL 291 291 16273 1 . ALA 292 292 16273 1 . ARG 293 293 16273 1 . ALA 294 294 16273 1 . CYS 295 295 16273 1 . PRO 296 296 16273 1 . GLY 297 297 16273 1 . PHE 298 298 16273 1 . ASP 299 299 16273 1 . PRO 300 300 16273 1 . GLU 301 301 16273 1 . THR 302 302 16273 1 . ARG 303 303 16273 1 . ASP 304 304 16273 1 . PRO 305 305 16273 1 . GLU 306 306 16273 1 . PHE 307 307 16273 1 . GLU 308 308 16273 1 . TRP 309 309 16273 1 . LEU 310 310 16273 1 . SER 311 311 16273 1 . ARG 312 312 16273 1 . HIS 313 313 16273 1 . THR 314 314 16273 1 . CYS 315 315 16273 1 . ALA 316 316 16273 1 . GLU 317 317 16273 1 . PRO 318 318 16273 1 . ASP 319 319 16273 1 . ALA 320 320 16273 1 . GLU 321 321 16273 1 . SER 322 322 16273 1 . GLY 323 323 16273 1 . PRO 324 324 16273 1 . LEU 325 325 16273 1 . GLY 326 326 16273 1 . SER 327 327 16273 1 . MET 328 328 16273 1 . ASP 329 329 16273 1 . GLN 330 330 16273 1 . SER 331 331 16273 1 . VAL 332 332 16273 1 . ALA 333 333 16273 1 . ILE 334 334 16273 1 . GLN 335 335 16273 1 . GLU 336 336 16273 1 . THR 337 337 16273 1 . LEU 338 338 16273 1 . VAL 339 339 16273 1 . GLU 340 340 16273 1 . GLY 341 341 16273 1 . GLU 342 342 16273 1 . TYR 343 343 16273 1 . CYS 344 344 16273 1 . VAL 345 345 16273 1 . ILE 346 346 16273 1 . ALA 347 347 16273 1 . VAL 348 348 16273 1 . GLN 349 349 16273 1 . GLY 350 350 16273 1 . VAL 351 351 16273 1 . LEU 352 352 16273 1 . CYS 353 353 16273 1 . LYS 354 354 16273 1 . GLY 355 355 16273 1 . ASP 356 356 16273 1 . SER 357 357 16273 1 . ARG 358 358 16273 1 . GLN 359 359 16273 1 . SER 360 360 16273 1 . ARG 361 361 16273 1 . LEU 362 362 16273 1 . LEU 363 363 16273 1 . GLY 364 364 16273 1 . LEU 365 365 16273 1 . VAL 366 366 16273 1 . ARG 367 367 16273 1 . TYR 368 368 16273 1 . ARG 369 369 16273 1 . LEU 370 370 16273 1 . GLU 371 371 16273 1 . ASN 372 372 16273 1 . ASP 373 373 16273 1 . ALA 374 374 16273 1 . GLN 375 375 16273 1 . GLU 376 376 16273 1 . HIS 377 377 16273 1 . ALA 378 378 16273 1 . LEU 379 379 16273 1 . PHE 380 380 16273 1 . LEU 381 381 16273 1 . TYR 382 382 16273 1 . THR 383 383 16273 1 . HIS 384 384 16273 1 . ARG 385 385 16273 1 . ARG 386 386 16273 1 . MET 387 387 16273 1 . ALA 388 388 16273 1 . ILE 389 389 16273 1 . THR 390 390 16273 1 . GLY 391 391 16273 1 . ASP 392 392 16273 1 . ASP 393 393 16273 1 . VAL 394 394 16273 1 . SER 395 395 16273 1 . LEU 396 396 16273 1 . ASP 397 397 16273 1 . GLN 398 398 16273 1 . ILE 399 399 16273 1 . VAL 400 400 16273 1 . PRO 401 401 16273 1 . LEU 402 402 16273 1 . SER 403 403 16273 1 . LYS 404 404 16273 1 . ASP 405 405 16273 1 . PHE 406 406 16273 1 . MET 407 407 16273 1 . LEU 408 408 16273 1 . GLU 409 409 16273 1 . GLU 410 410 16273 1 . VAL 411 411 16273 1 . SER 412 412 16273 1 . PRO 413 413 16273 1 . ASP 414 414 16273 1 . GLY 415 415 16273 1 . GLU 416 416 16273 1 . LEU 417 417 16273 1 . TYR 418 418 16273 1 . ILE 419 419 16273 1 . LEU 420 420 16273 1 . GLY 421 421 16273 1 . SER 422 422 16273 1 . ASP 423 423 16273 1 . VAL 424 424 16273 1 . THR 425 425 16273 1 . VAL 426 426 16273 1 . GLN 427 427 16273 1 . LEU 428 428 16273 1 . ASN 429 429 16273 1 . THR 430 430 16273 1 . ALA 431 431 16273 1 . GLU 432 432 16273 1 . LEU 433 433 16273 1 . LYS 434 434 16273 1 . LEU 435 435 16273 1 . VAL 436 436 16273 1 . PHE 437 437 16273 1 . GLN 438 438 16273 1 . LEU 439 439 16273 1 . PRO 440 440 16273 1 . PHE 441 441 16273 1 . GLY 442 442 16273 1 . SER 443 443 16273 1 . HIS 444 444 16273 1 . THR 445 445 16273 1 . ARG 446 446 16273 1 . THR 447 447 16273 1 . PHE 448 448 16273 1 . LEU 449 449 16273 1 . GLN 450 450 16273 1 . GLU 451 451 16273 1 . VAL 452 452 16273 1 . ALA 453 453 16273 1 . ARG 454 454 16273 1 . ALA 455 455 16273 1 . CYS 456 456 16273 1 . PRO 457 457 16273 1 . GLY 458 458 16273 1 . PHE 459 459 16273 1 . ASP 460 460 16273 1 . PRO 461 461 16273 1 . GLU 462 462 16273 1 . THR 463 463 16273 1 . ARG 464 464 16273 1 . ASP 465 465 16273 1 . PRO 466 466 16273 1 . GLU 467 467 16273 1 . PHE 468 468 16273 1 . GLU 469 469 16273 1 . TRP 470 470 16273 1 . LEU 471 471 16273 1 . SER 472 472 16273 1 . ARG 473 473 16273 1 . HIS 474 474 16273 1 . THR 475 475 16273 1 . CYS 476 476 16273 1 . ALA 477 477 16273 1 . GLU 478 478 16273 1 . PRO 479 479 16273 1 . ASP 480 480 16273 1 . ALA 481 481 16273 1 . GLU 482 482 16273 1 . SER 483 483 16273 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16273 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16273 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16273 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6p-1 . . . . . . 16273 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16273 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'potasium phosphate' _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 entity . . . 1 $entity . . . . . mM . . . . 16273 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16273 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 16273 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 16273 1 pressure 1.0 . atm 16273 1 temperature 298 . K 16273 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16273 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16273 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16273 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16273 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16273 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16273 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16273 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16273 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16273 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16273 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16273 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16273 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16273 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16273 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16273 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl carbon' . . . . ppm 0 internal direct 1.00000000 . . . . . . . . . 16273 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16273 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16273 1 2 '3D HNCO' . . . 16273 1 3 '3D HNCA' . . . 16273 1 4 '3D CBCA(CO)NH' . . . 16273 1 5 '3D C(CO)NH' . . . 16273 1 6 '3D HN(CO)CA' . . . 16273 1 6 '3D HN(CO)CA' . . . 16273 1 7 '3D H(CCO)NH' . . . 16273 1 8 '3D HCCH-TOCSY' . . . 16273 1 9 '3D 1H-15N NOESY' . . . 16273 1 10 '3D 1H-13C NOESY' . . . 16273 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 GLY HA2 H 1 3.894 0.005 . . . . . . 1 GLY HA2 . 16273 1 2 . 1 1 1 1 GLY HA3 H 1 3.528 0.002 . . . . . . 1 GLY HA3 . 16273 1 3 . 1 1 1 1 GLY CA C 13 43.108 0.002 . . . . . . 1 GLY CA . 16273 1 4 . 1 1 2 2 PRO HA H 1 4.455 0.005 . . . . . . 2 PRO HA . 16273 1 5 . 1 1 2 2 PRO HB2 H 1 1.932 0.007 . . . . . . 2 PRO HB2 . 16273 1 6 . 1 1 2 2 PRO HB3 H 1 2.286 0.006 . . . . . . 2 PRO HB3 . 16273 1 7 . 1 1 2 2 PRO HD2 H 1 3.551 0.007 . . . . . . 2 PRO HD2 . 16273 1 8 . 1 1 2 2 PRO HD3 H 1 3.551 0.007 . . . . . . 2 PRO HD3 . 16273 1 9 . 1 1 2 2 PRO HG2 H 1 1.995 0.006 . . . . . . 2 PRO HG2 . 16273 1 10 . 1 1 2 2 PRO HG3 H 1 1.995 0.006 . . . . . . 2 PRO HG3 . 16273 1 11 . 1 1 2 2 PRO C C 13 177.007 0.007 . . . . . . 2 PRO C . 16273 1 12 . 1 1 2 2 PRO CA C 13 63.216 0.051 . . . . . . 2 PRO CA . 16273 1 13 . 1 1 2 2 PRO CB C 13 32.333 0.040 . . . . . . 2 PRO CB . 16273 1 14 . 1 1 2 2 PRO CD C 13 49.694 0.005 . . . . . . 2 PRO CD . 16273 1 15 . 1 1 2 2 PRO CG C 13 27.199 0.064 . . . . . . 2 PRO CG . 16273 1 16 . 1 1 3 3 LEU H H 1 8.543 0.006 . . . . . . 3 LEU H . 16273 1 17 . 1 1 3 3 LEU HA H 1 4.332 0.009 . . . . . . 3 LEU HA . 16273 1 18 . 1 1 3 3 LEU HB2 H 1 1.650 0.009 . . . . . . 3 LEU HB2 . 16273 1 19 . 1 1 3 3 LEU HB3 H 1 1.577 0.008 . . . . . . 3 LEU HB3 . 16273 1 20 . 1 1 3 3 LEU HD11 H 1 0.856 0.006 . . . . . . 3 LEU HD11 . 16273 1 21 . 1 1 3 3 LEU HD12 H 1 0.856 0.006 . . . . . . 3 LEU HD12 . 16273 1 22 . 1 1 3 3 LEU HD13 H 1 0.856 0.006 . . . . . . 3 LEU HD13 . 16273 1 23 . 1 1 3 3 LEU HD21 H 1 0.890 0.005 . . . . . . 3 LEU HD21 . 16273 1 24 . 1 1 3 3 LEU HD22 H 1 0.890 0.005 . . . . . . 3 LEU HD22 . 16273 1 25 . 1 1 3 3 LEU HD23 H 1 0.890 0.005 . . . . . . 3 LEU HD23 . 16273 1 26 . 1 1 3 3 LEU HG H 1 1.634 0.009 . . . . . . 3 LEU HG . 16273 1 27 . 1 1 3 3 LEU C C 13 177.866 0.024 . . . . . . 3 LEU C . 16273 1 28 . 1 1 3 3 LEU CA C 13 55.444 0.015 . . . . . . 3 LEU CA . 16273 1 29 . 1 1 3 3 LEU CB C 13 42.328 0.032 . . . . . . 3 LEU CB . 16273 1 30 . 1 1 3 3 LEU CD1 C 13 23.548 0.063 . . . . . . 3 LEU CD1 . 16273 1 31 . 1 1 3 3 LEU CD2 C 13 25.009 0.002 . . . . . . 3 LEU CD2 . 16273 1 32 . 1 1 3 3 LEU CG C 13 27.131 0.002 . . . . . . 3 LEU CG . 16273 1 33 . 1 1 3 3 LEU N N 15 122.092 0.023 . . . . . . 3 LEU N . 16273 1 34 . 1 1 4 4 GLY H H 1 8.396 0.003 . . . . . . 4 GLY H . 16273 1 35 . 1 1 4 4 GLY HA2 H 1 3.938 0.009 . . . . . . 4 GLY HA2 . 16273 1 36 . 1 1 4 4 GLY HA3 H 1 3.938 0.009 . . . . . . 4 GLY HA3 . 16273 1 37 . 1 1 4 4 GLY C C 13 174.180 0.000 . . . . . . 4 GLY C . 16273 1 38 . 1 1 4 4 GLY CA C 13 45.353 0.026 . . . . . . 4 GLY CA . 16273 1 39 . 1 1 4 4 GLY N N 15 109.601 0.014 . . . . . . 4 GLY N . 16273 1 40 . 1 1 5 5 SER H H 1 8.146 0.005 . . . . . . 5 SER H . 16273 1 41 . 1 1 5 5 SER HA H 1 4.383 0.008 . . . . . . 5 SER HA . 16273 1 42 . 1 1 5 5 SER HB2 H 1 3.825 0.003 . . . . . . 5 SER HB2 . 16273 1 43 . 1 1 5 5 SER HB3 H 1 3.825 0.003 . . . . . . 5 SER HB3 . 16273 1 44 . 1 1 5 5 SER C C 13 173.888 0.045 . . . . . . 5 SER C . 16273 1 45 . 1 1 5 5 SER CA C 13 58.432 0.036 . . . . . . 5 SER CA . 16273 1 46 . 1 1 5 5 SER CB C 13 63.839 0.046 . . . . . . 5 SER CB . 16273 1 47 . 1 1 5 5 SER N N 15 115.404 0.017 . . . . . . 5 SER N . 16273 1 48 . 1 1 6 6 MET H H 1 8.317 0.005 . . . . . . 6 MET H . 16273 1 49 . 1 1 6 6 MET HA H 1 4.430 0.008 . . . . . . 6 MET HA . 16273 1 50 . 1 1 6 6 MET HB2 H 1 2.016 0.006 . . . . . . 6 MET HB2 . 16273 1 51 . 1 1 6 6 MET HB3 H 1 1.906 0.001 . . . . . . 6 MET HB3 . 16273 1 52 . 1 1 6 6 MET HG2 H 1 2.447 0.006 . . . . . . 6 MET HG2 . 16273 1 53 . 1 1 6 6 MET HG3 H 1 2.531 0.003 . . . . . . 6 MET HG3 . 16273 1 54 . 1 1 6 6 MET C C 13 175.681 0.007 . . . . . . 6 MET C . 16273 1 55 . 1 1 6 6 MET CA C 13 55.576 0.041 . . . . . . 6 MET CA . 16273 1 56 . 1 1 6 6 MET CB C 13 32.777 0.072 . . . . . . 6 MET CB . 16273 1 57 . 1 1 6 6 MET CG C 13 32.211 0.018 . . . . . . 6 MET CG . 16273 1 58 . 1 1 6 6 MET N N 15 121.570 0.061 . . . . . . 6 MET N . 16273 1 59 . 1 1 7 7 ASP H H 1 8.083 0.007 . . . . . . 7 ASP H . 16273 1 60 . 1 1 7 7 ASP HA H 1 4.570 0.006 . . . . . . 7 ASP HA . 16273 1 61 . 1 1 7 7 ASP HB2 H 1 2.538 0.008 . . . . . . 7 ASP HB2 . 16273 1 62 . 1 1 7 7 ASP HB3 H 1 2.751 0.007 . . . . . . 7 ASP HB3 . 16273 1 63 . 1 1 7 7 ASP C C 13 172.067 0.000 . . . . . . 7 ASP C . 16273 1 64 . 1 1 7 7 ASP CA C 13 54.269 0.060 . . . . . . 7 ASP CA . 16273 1 65 . 1 1 7 7 ASP CB C 13 41.484 0.034 . . . . . . 7 ASP CB . 16273 1 66 . 1 1 7 7 ASP N N 15 121.010 0.040 . . . . . . 7 ASP N . 16273 1 67 . 1 1 8 8 GLN H H 1 8.391 0.006 . . . . . . 8 GLN H . 16273 1 68 . 1 1 8 8 GLN HA H 1 4.220 0.006 . . . . . . 8 GLN HA . 16273 1 69 . 1 1 8 8 GLN HB2 H 1 1.644 0.006 . . . . . . 8 GLN HB2 . 16273 1 70 . 1 1 8 8 GLN HB3 H 1 2.030 0.003 . . . . . . 8 GLN HB3 . 16273 1 71 . 1 1 8 8 GLN HE21 H 1 7.242 0.003 . . . . . . 8 GLN HE21 . 16273 1 72 . 1 1 8 8 GLN HE22 H 1 6.605 0.002 . . . . . . 8 GLN HE22 . 16273 1 73 . 1 1 8 8 GLN HG2 H 1 2.224 0.006 . . . . . . 8 GLN HG2 . 16273 1 74 . 1 1 8 8 GLN HG3 H 1 2.224 0.006 . . . . . . 8 GLN HG3 . 16273 1 75 . 1 1 8 8 GLN C C 13 176.072 0.012 . . . . . . 8 GLN C . 16273 1 76 . 1 1 8 8 GLN CA C 13 57.322 0.072 . . . . . . 8 GLN CA . 16273 1 77 . 1 1 8 8 GLN CB C 13 28.237 0.040 . . . . . . 8 GLN CB . 16273 1 78 . 1 1 8 8 GLN CG C 13 34.258 0.029 . . . . . . 8 GLN CG . 16273 1 79 . 1 1 8 8 GLN N N 15 122.791 0.072 . . . . . . 8 GLN N . 16273 1 80 . 1 1 8 8 GLN NE2 N 15 110.888 0.028 . . . . . . 8 GLN NE2 . 16273 1 81 . 1 1 9 9 SER H H 1 8.387 0.004 . . . . . . 9 SER H . 16273 1 82 . 1 1 9 9 SER HA H 1 3.923 0.004 . . . . . . 9 SER HA . 16273 1 83 . 1 1 9 9 SER HB2 H 1 3.762 0.003 . . . . . . 9 SER HB2 . 16273 1 84 . 1 1 9 9 SER HB3 H 1 3.801 0.005 . . . . . . 9 SER HB3 . 16273 1 85 . 1 1 9 9 SER C C 13 175.537 0.014 . . . . . . 9 SER C . 16273 1 86 . 1 1 9 9 SER CA C 13 61.709 0.043 . . . . . . 9 SER CA . 16273 1 87 . 1 1 9 9 SER CB C 13 62.960 0.120 . . . . . . 9 SER CB . 16273 1 88 . 1 1 9 9 SER N N 15 114.743 0.049 . . . . . . 9 SER N . 16273 1 89 . 1 1 10 10 VAL H H 1 7.505 0.004 . . . . . . 10 VAL H . 16273 1 90 . 1 1 10 10 VAL HA H 1 3.595 0.006 . . . . . . 10 VAL HA . 16273 1 91 . 1 1 10 10 VAL HB H 1 2.022 0.004 . . . . . . 10 VAL HB . 16273 1 92 . 1 1 10 10 VAL HG11 H 1 0.981 0.003 . . . . . . 10 VAL HG11 . 16273 1 93 . 1 1 10 10 VAL HG12 H 1 0.981 0.003 . . . . . . 10 VAL HG12 . 16273 1 94 . 1 1 10 10 VAL HG13 H 1 0.981 0.003 . . . . . . 10 VAL HG13 . 16273 1 95 . 1 1 10 10 VAL HG21 H 1 0.908 0.003 . . . . . . 10 VAL HG21 . 16273 1 96 . 1 1 10 10 VAL HG22 H 1 0.908 0.003 . . . . . . 10 VAL HG22 . 16273 1 97 . 1 1 10 10 VAL HG23 H 1 0.908 0.003 . . . . . . 10 VAL HG23 . 16273 1 98 . 1 1 10 10 VAL C C 13 177.565 0.019 . . . . . . 10 VAL C . 16273 1 99 . 1 1 10 10 VAL CA C 13 66.137 0.029 . . . . . . 10 VAL CA . 16273 1 100 . 1 1 10 10 VAL CB C 13 31.529 0.037 . . . . . . 10 VAL CB . 16273 1 101 . 1 1 10 10 VAL CG1 C 13 22.403 0.025 . . . . . . 10 VAL CG1 . 16273 1 102 . 1 1 10 10 VAL CG2 C 13 21.091 0.003 . . . . . . 10 VAL CG2 . 16273 1 103 . 1 1 10 10 VAL N N 15 122.642 0.041 . . . . . . 10 VAL N . 16273 1 104 . 1 1 11 11 ALA H H 1 7.392 0.006 . . . . . . 11 ALA H . 16273 1 105 . 1 1 11 11 ALA HA H 1 3.720 0.015 . . . . . . 11 ALA HA . 16273 1 106 . 1 1 11 11 ALA HB1 H 1 1.005 0.011 . . . . . . 11 ALA HB1 . 16273 1 107 . 1 1 11 11 ALA HB2 H 1 1.005 0.011 . . . . . . 11 ALA HB2 . 16273 1 108 . 1 1 11 11 ALA HB3 H 1 1.005 0.011 . . . . . . 11 ALA HB3 . 16273 1 109 . 1 1 11 11 ALA C C 13 179.065 0.070 . . . . . . 11 ALA C . 16273 1 110 . 1 1 11 11 ALA CA C 13 54.823 0.069 . . . . . . 11 ALA CA . 16273 1 111 . 1 1 11 11 ALA CB C 13 17.803 0.041 . . . . . . 11 ALA CB . 16273 1 112 . 1 1 11 11 ALA N N 15 121.184 0.078 . . . . . . 11 ALA N . 16273 1 113 . 1 1 12 12 ILE H H 1 6.873 0.014 . . . . . . 12 ILE H . 16273 1 114 . 1 1 12 12 ILE HA H 1 3.033 0.010 . . . . . . 12 ILE HA . 16273 1 115 . 1 1 12 12 ILE HB H 1 1.608 0.007 . . . . . . 12 ILE HB . 16273 1 116 . 1 1 12 12 ILE HD11 H 1 0.408 0.005 . . . . . . 12 ILE HD11 . 16273 1 117 . 1 1 12 12 ILE HD12 H 1 0.408 0.005 . . . . . . 12 ILE HD12 . 16273 1 118 . 1 1 12 12 ILE HD13 H 1 0.408 0.005 . . . . . . 12 ILE HD13 . 16273 1 119 . 1 1 12 12 ILE HG12 H 1 -0.082 0.011 . . . . . . 12 ILE HG12 . 16273 1 120 . 1 1 12 12 ILE HG13 H 1 1.140 0.005 . . . . . . 12 ILE HG13 . 16273 1 121 . 1 1 12 12 ILE HG21 H 1 0.657 0.006 . . . . . . 12 ILE HG21 . 16273 1 122 . 1 1 12 12 ILE HG22 H 1 0.657 0.006 . . . . . . 12 ILE HG22 . 16273 1 123 . 1 1 12 12 ILE HG23 H 1 0.657 0.006 . . . . . . 12 ILE HG23 . 16273 1 124 . 1 1 12 12 ILE C C 13 179.662 0.028 . . . . . . 12 ILE C . 16273 1 125 . 1 1 12 12 ILE CA C 13 64.707 0.063 . . . . . . 12 ILE CA . 16273 1 126 . 1 1 12 12 ILE CB C 13 37.685 0.090 . . . . . . 12 ILE CB . 16273 1 127 . 1 1 12 12 ILE CD1 C 13 13.732 0.033 . . . . . . 12 ILE CD1 . 16273 1 128 . 1 1 12 12 ILE CG1 C 13 27.841 0.056 . . . . . . 12 ILE CG1 . 16273 1 129 . 1 1 12 12 ILE CG2 C 13 15.819 0.056 . . . . . . 12 ILE CG2 . 16273 1 130 . 1 1 12 12 ILE N N 15 113.141 0.110 . . . . . . 12 ILE N . 16273 1 131 . 1 1 13 13 GLN H H 1 8.844 0.010 . . . . . . 13 GLN H . 16273 1 132 . 1 1 13 13 GLN HA H 1 3.585 0.012 . . . . . . 13 GLN HA . 16273 1 133 . 1 1 13 13 GLN HB2 H 1 1.984 0.003 . . . . . . 13 GLN HB2 . 16273 1 134 . 1 1 13 13 GLN HB3 H 1 1.984 0.003 . . . . . . 13 GLN HB3 . 16273 1 135 . 1 1 13 13 GLN HE21 H 1 7.131 0.005 . . . . . . 13 GLN HE21 . 16273 1 136 . 1 1 13 13 GLN HE22 H 1 7.601 0.008 . . . . . . 13 GLN HE22 . 16273 1 137 . 1 1 13 13 GLN HG2 H 1 2.342 0.010 . . . . . . 13 GLN HG2 . 16273 1 138 . 1 1 13 13 GLN HG3 H 1 2.125 0.006 . . . . . . 13 GLN HG3 . 16273 1 139 . 1 1 13 13 GLN C C 13 177.751 0.002 . . . . . . 13 GLN C . 16273 1 140 . 1 1 13 13 GLN CA C 13 58.680 0.027 . . . . . . 13 GLN CA . 16273 1 141 . 1 1 13 13 GLN CB C 13 28.358 0.065 . . . . . . 13 GLN CB . 16273 1 142 . 1 1 13 13 GLN CG C 13 34.573 0.038 . . . . . . 13 GLN CG . 16273 1 143 . 1 1 13 13 GLN N N 15 122.833 0.034 . . . . . . 13 GLN N . 16273 1 144 . 1 1 13 13 GLN NE2 N 15 116.287 0.056 . . . . . . 13 GLN NE2 . 16273 1 145 . 1 1 14 14 GLU H H 1 7.520 0.004 . . . . . . 14 GLU H . 16273 1 146 . 1 1 14 14 GLU HA H 1 4.143 0.006 . . . . . . 14 GLU HA . 16273 1 147 . 1 1 14 14 GLU HB2 H 1 2.173 0.004 . . . . . . 14 GLU HB2 . 16273 1 148 . 1 1 14 14 GLU HB3 H 1 2.095 0.002 . . . . . . 14 GLU HB3 . 16273 1 149 . 1 1 14 14 GLU HG2 H 1 2.637 0.009 . . . . . . 14 GLU HG2 . 16273 1 150 . 1 1 14 14 GLU HG3 H 1 2.315 0.004 . . . . . . 14 GLU HG3 . 16273 1 151 . 1 1 14 14 GLU C C 13 177.406 0.020 . . . . . . 14 GLU C . 16273 1 152 . 1 1 14 14 GLU CA C 13 59.032 0.074 . . . . . . 14 GLU CA . 16273 1 153 . 1 1 14 14 GLU CB C 13 29.962 0.041 . . . . . . 14 GLU CB . 16273 1 154 . 1 1 14 14 GLU CG C 13 36.729 0.052 . . . . . . 14 GLU CG . 16273 1 155 . 1 1 14 14 GLU N N 15 115.595 0.035 . . . . . . 14 GLU N . 16273 1 156 . 1 1 15 15 THR H H 1 8.024 0.008 . . . . . . 15 THR H . 16273 1 157 . 1 1 15 15 THR HA H 1 4.611 0.000 . . . . . . 15 THR HA . 16273 1 158 . 1 1 15 15 THR HB H 1 4.671 0.001 . . . . . . 15 THR HB . 16273 1 159 . 1 1 15 15 THR HG1 H 1 5.720 0.001 . . . . . . 15 THR HG1 . 16273 1 160 . 1 1 15 15 THR HG21 H 1 1.360 0.004 . . . . . . 15 THR HG21 . 16273 1 161 . 1 1 15 15 THR HG22 H 1 1.360 0.004 . . . . . . 15 THR HG22 . 16273 1 162 . 1 1 15 15 THR HG23 H 1 1.360 0.004 . . . . . . 15 THR HG23 . 16273 1 163 . 1 1 15 15 THR C C 13 174.651 0.017 . . . . . . 15 THR C . 16273 1 164 . 1 1 15 15 THR CA C 13 62.089 0.050 . . . . . . 15 THR CA . 16273 1 165 . 1 1 15 15 THR CB C 13 70.971 0.007 . . . . . . 15 THR CB . 16273 1 166 . 1 1 15 15 THR CG2 C 13 22.168 0.016 . . . . . . 15 THR CG2 . 16273 1 167 . 1 1 15 15 THR N N 15 108.506 0.030 . . . . . . 15 THR N . 16273 1 168 . 1 1 16 16 LEU H H 1 7.324 0.003 . . . . . . 16 LEU H . 16273 1 169 . 1 1 16 16 LEU HA H 1 4.729 0.006 . . . . . . 16 LEU HA . 16273 1 170 . 1 1 16 16 LEU HB2 H 1 2.150 0.005 . . . . . . 16 LEU HB2 . 16273 1 171 . 1 1 16 16 LEU HB3 H 1 1.873 0.008 . . . . . . 16 LEU HB3 . 16273 1 172 . 1 1 16 16 LEU HD11 H 1 0.534 0.004 . . . . . . 16 LEU HD11 . 16273 1 173 . 1 1 16 16 LEU HD12 H 1 0.534 0.004 . . . . . . 16 LEU HD12 . 16273 1 174 . 1 1 16 16 LEU HD13 H 1 0.534 0.004 . . . . . . 16 LEU HD13 . 16273 1 175 . 1 1 16 16 LEU HD21 H 1 0.648 0.003 . . . . . . 16 LEU HD21 . 16273 1 176 . 1 1 16 16 LEU HD22 H 1 0.648 0.003 . . . . . . 16 LEU HD22 . 16273 1 177 . 1 1 16 16 LEU HD23 H 1 0.648 0.003 . . . . . . 16 LEU HD23 . 16273 1 178 . 1 1 16 16 LEU HG H 1 1.991 0.007 . . . . . . 16 LEU HG . 16273 1 179 . 1 1 16 16 LEU C C 13 177.350 0.002 . . . . . . 16 LEU C . 16273 1 180 . 1 1 16 16 LEU CA C 13 54.522 0.056 . . . . . . 16 LEU CA . 16273 1 181 . 1 1 16 16 LEU CB C 13 40.305 0.036 . . . . . . 16 LEU CB . 16273 1 182 . 1 1 16 16 LEU CD1 C 13 27.059 0.042 . . . . . . 16 LEU CD1 . 16273 1 183 . 1 1 16 16 LEU CD2 C 13 21.678 0.047 . . . . . . 16 LEU CD2 . 16273 1 184 . 1 1 16 16 LEU CG C 13 25.861 0.011 . . . . . . 16 LEU CG . 16273 1 185 . 1 1 16 16 LEU N N 15 122.922 0.041 . . . . . . 16 LEU N . 16273 1 186 . 1 1 17 17 VAL H H 1 8.418 0.004 . . . . . . 17 VAL H . 16273 1 187 . 1 1 17 17 VAL HA H 1 4.644 0.007 . . . . . . 17 VAL HA . 16273 1 188 . 1 1 17 17 VAL HB H 1 2.293 0.005 . . . . . . 17 VAL HB . 16273 1 189 . 1 1 17 17 VAL HG11 H 1 0.808 0.005 . . . . . . 17 VAL HG11 . 16273 1 190 . 1 1 17 17 VAL HG12 H 1 0.808 0.005 . . . . . . 17 VAL HG12 . 16273 1 191 . 1 1 17 17 VAL HG13 H 1 0.808 0.005 . . . . . . 17 VAL HG13 . 16273 1 192 . 1 1 17 17 VAL HG21 H 1 0.916 0.007 . . . . . . 17 VAL HG21 . 16273 1 193 . 1 1 17 17 VAL HG22 H 1 0.916 0.007 . . . . . . 17 VAL HG22 . 16273 1 194 . 1 1 17 17 VAL HG23 H 1 0.916 0.007 . . . . . . 17 VAL HG23 . 16273 1 195 . 1 1 17 17 VAL C C 13 175.849 0.018 . . . . . . 17 VAL C . 16273 1 196 . 1 1 17 17 VAL CA C 13 60.141 0.058 . . . . . . 17 VAL CA . 16273 1 197 . 1 1 17 17 VAL CB C 13 33.158 0.026 . . . . . . 17 VAL CB . 16273 1 198 . 1 1 17 17 VAL CG1 C 13 19.009 0.017 . . . . . . 17 VAL CG1 . 16273 1 199 . 1 1 17 17 VAL CG2 C 13 21.684 0.032 . . . . . . 17 VAL CG2 . 16273 1 200 . 1 1 17 17 VAL N N 15 114.816 0.033 . . . . . . 17 VAL N . 16273 1 201 . 1 1 18 18 GLU H H 1 8.259 0.007 . . . . . . 18 GLU H . 16273 1 202 . 1 1 18 18 GLU HA H 1 4.006 0.006 . . . . . . 18 GLU HA . 16273 1 203 . 1 1 18 18 GLU HB2 H 1 2.052 0.005 . . . . . . 18 GLU HB2 . 16273 1 204 . 1 1 18 18 GLU HB3 H 1 1.972 0.008 . . . . . . 18 GLU HB3 . 16273 1 205 . 1 1 18 18 GLU HG2 H 1 2.296 0.007 . . . . . . 18 GLU HG2 . 16273 1 206 . 1 1 18 18 GLU HG3 H 1 2.296 0.007 . . . . . . 18 GLU HG3 . 16273 1 207 . 1 1 18 18 GLU C C 13 176.864 0.009 . . . . . . 18 GLU C . 16273 1 208 . 1 1 18 18 GLU CA C 13 58.930 0.021 . . . . . . 18 GLU CA . 16273 1 209 . 1 1 18 18 GLU CB C 13 29.660 0.023 . . . . . . 18 GLU CB . 16273 1 210 . 1 1 18 18 GLU CG C 13 35.980 0.020 . . . . . . 18 GLU CG . 16273 1 211 . 1 1 18 18 GLU N N 15 120.673 0.042 . . . . . . 18 GLU N . 16273 1 212 . 1 1 19 19 GLY H H 1 8.638 0.004 . . . . . . 19 GLY H . 16273 1 213 . 1 1 19 19 GLY HA2 H 1 3.485 0.006 . . . . . . 19 GLY HA2 . 16273 1 214 . 1 1 19 19 GLY HA3 H 1 4.260 0.006 . . . . . . 19 GLY HA3 . 16273 1 215 . 1 1 19 19 GLY C C 13 173.709 0.001 . . . . . . 19 GLY C . 16273 1 216 . 1 1 19 19 GLY CA C 13 45.182 0.026 . . . . . . 19 GLY CA . 16273 1 217 . 1 1 19 19 GLY N N 15 112.940 0.043 . . . . . . 19 GLY N . 16273 1 218 . 1 1 20 20 GLU H H 1 7.975 0.012 . . . . . . 20 GLU H . 16273 1 219 . 1 1 20 20 GLU HA H 1 4.865 0.007 . . . . . . 20 GLU HA . 16273 1 220 . 1 1 20 20 GLU HB2 H 1 1.566 0.013 . . . . . . 20 GLU HB2 . 16273 1 221 . 1 1 20 20 GLU HB3 H 1 2.686 0.014 . . . . . . 20 GLU HB3 . 16273 1 222 . 1 1 20 20 GLU HG2 H 1 2.178 0.002 . . . . . . 20 GLU HG2 . 16273 1 223 . 1 1 20 20 GLU HG3 H 1 2.284 0.001 . . . . . . 20 GLU HG3 . 16273 1 224 . 1 1 20 20 GLU C C 13 176.603 0.012 . . . . . . 20 GLU C . 16273 1 225 . 1 1 20 20 GLU CA C 13 54.809 0.031 . . . . . . 20 GLU CA . 16273 1 226 . 1 1 20 20 GLU CB C 13 32.325 0.071 . . . . . . 20 GLU CB . 16273 1 227 . 1 1 20 20 GLU N N 15 118.378 0.048 . . . . . . 20 GLU N . 16273 1 228 . 1 1 21 21 TYR H H 1 8.915 0.005 . . . . . . 21 TYR H . 16273 1 229 . 1 1 21 21 TYR HA H 1 4.975 0.009 . . . . . . 21 TYR HA . 16273 1 230 . 1 1 21 21 TYR HB2 H 1 2.843 0.009 . . . . . . 21 TYR HB2 . 16273 1 231 . 1 1 21 21 TYR HB3 H 1 2.666 0.008 . . . . . . 21 TYR HB3 . 16273 1 232 . 1 1 21 21 TYR HD1 H 1 6.839 0.006 . . . . . . 21 TYR HD1 . 16273 1 233 . 1 1 21 21 TYR HD2 H 1 6.839 0.006 . . . . . . 21 TYR HD2 . 16273 1 234 . 1 1 21 21 TYR HE1 H 1 6.699 0.007 . . . . . . 21 TYR HE1 . 16273 1 235 . 1 1 21 21 TYR HE2 H 1 6.699 0.007 . . . . . . 21 TYR HE2 . 16273 1 236 . 1 1 21 21 TYR C C 13 173.638 0.003 . . . . . . 21 TYR C . 16273 1 237 . 1 1 21 21 TYR CA C 13 56.181 0.049 . . . . . . 21 TYR CA . 16273 1 238 . 1 1 21 21 TYR CB C 13 42.592 0.039 . . . . . . 21 TYR CB . 16273 1 239 . 1 1 21 21 TYR CD1 C 13 132.845 0.058 . . . . . . 21 TYR CD1 . 16273 1 240 . 1 1 21 21 TYR CE1 C 13 118.510 0.033 . . . . . . 21 TYR CE1 . 16273 1 241 . 1 1 21 21 TYR CE2 C 13 118.639 0.000 . . . . . . 21 TYR CE2 . 16273 1 242 . 1 1 21 21 TYR N N 15 122.757 0.047 . . . . . . 21 TYR N . 16273 1 243 . 1 1 22 22 CYS H H 1 8.735 0.005 . . . . . . 22 CYS H . 16273 1 244 . 1 1 22 22 CYS HA H 1 4.557 0.005 . . . . . . 22 CYS HA . 16273 1 245 . 1 1 22 22 CYS HB2 H 1 2.157 0.006 . . . . . . 22 CYS HB2 . 16273 1 246 . 1 1 22 22 CYS HB3 H 1 2.828 0.010 . . . . . . 22 CYS HB3 . 16273 1 247 . 1 1 22 22 CYS C C 13 172.116 0.011 . . . . . . 22 CYS C . 16273 1 248 . 1 1 22 22 CYS CA C 13 58.224 0.039 . . . . . . 22 CYS CA . 16273 1 249 . 1 1 22 22 CYS CB C 13 25.909 0.290 . . . . . . 22 CYS CB . 16273 1 250 . 1 1 22 22 CYS N N 15 127.323 0.064 . . . . . . 22 CYS N . 16273 1 251 . 1 1 23 23 VAL H H 1 9.056 0.008 . . . . . . 23 VAL H . 16273 1 252 . 1 1 23 23 VAL HA H 1 3.377 0.007 . . . . . . 23 VAL HA . 16273 1 253 . 1 1 23 23 VAL HB H 1 1.815 0.009 . . . . . . 23 VAL HB . 16273 1 254 . 1 1 23 23 VAL HG11 H 1 1.131 0.006 . . . . . . 23 VAL HG11 . 16273 1 255 . 1 1 23 23 VAL HG12 H 1 1.131 0.006 . . . . . . 23 VAL HG12 . 16273 1 256 . 1 1 23 23 VAL HG13 H 1 1.131 0.006 . . . . . . 23 VAL HG13 . 16273 1 257 . 1 1 23 23 VAL HG21 H 1 0.945 0.005 . . . . . . 23 VAL HG21 . 16273 1 258 . 1 1 23 23 VAL HG22 H 1 0.945 0.005 . . . . . . 23 VAL HG22 . 16273 1 259 . 1 1 23 23 VAL HG23 H 1 0.945 0.005 . . . . . . 23 VAL HG23 . 16273 1 260 . 1 1 23 23 VAL C C 13 175.899 0.011 . . . . . . 23 VAL C . 16273 1 261 . 1 1 23 23 VAL CA C 13 65.276 0.057 . . . . . . 23 VAL CA . 16273 1 262 . 1 1 23 23 VAL CB C 13 34.222 0.038 . . . . . . 23 VAL CB . 16273 1 263 . 1 1 23 23 VAL CG1 C 13 22.524 0.061 . . . . . . 23 VAL CG1 . 16273 1 264 . 1 1 23 23 VAL CG2 C 13 20.542 0.047 . . . . . . 23 VAL CG2 . 16273 1 265 . 1 1 23 23 VAL N N 15 131.481 0.035 . . . . . . 23 VAL N . 16273 1 266 . 1 1 24 24 ILE H H 1 7.233 0.005 . . . . . . 24 ILE H . 16273 1 267 . 1 1 24 24 ILE HA H 1 4.421 0.012 . . . . . . 24 ILE HA . 16273 1 268 . 1 1 24 24 ILE HB H 1 2.305 0.005 . . . . . . 24 ILE HB . 16273 1 269 . 1 1 24 24 ILE HD11 H 1 0.711 0.003 . . . . . . 24 ILE HD11 . 16273 1 270 . 1 1 24 24 ILE HD12 H 1 0.711 0.003 . . . . . . 24 ILE HD12 . 16273 1 271 . 1 1 24 24 ILE HD13 H 1 0.711 0.003 . . . . . . 24 ILE HD13 . 16273 1 272 . 1 1 24 24 ILE HG12 H 1 1.943 0.006 . . . . . . 24 ILE HG12 . 16273 1 273 . 1 1 24 24 ILE HG13 H 1 0.996 0.008 . . . . . . 24 ILE HG13 . 16273 1 274 . 1 1 24 24 ILE HG21 H 1 0.805 0.002 . . . . . . 24 ILE HG21 . 16273 1 275 . 1 1 24 24 ILE HG22 H 1 0.805 0.002 . . . . . . 24 ILE HG22 . 16273 1 276 . 1 1 24 24 ILE HG23 H 1 0.805 0.002 . . . . . . 24 ILE HG23 . 16273 1 277 . 1 1 24 24 ILE C C 13 170.547 0.016 . . . . . . 24 ILE C . 16273 1 278 . 1 1 24 24 ILE CA C 13 60.575 0.040 . . . . . . 24 ILE CA . 16273 1 279 . 1 1 24 24 ILE CB C 13 38.221 0.034 . . . . . . 24 ILE CB . 16273 1 280 . 1 1 24 24 ILE CD1 C 13 14.472 0.039 . . . . . . 24 ILE CD1 . 16273 1 281 . 1 1 24 24 ILE CG1 C 13 29.120 0.045 . . . . . . 24 ILE CG1 . 16273 1 282 . 1 1 24 24 ILE CG2 C 13 15.279 0.033 . . . . . . 24 ILE CG2 . 16273 1 283 . 1 1 24 24 ILE N N 15 112.718 0.030 . . . . . . 24 ILE N . 16273 1 284 . 1 1 25 25 ALA H H 1 8.554 0.004 . . . . . . 25 ALA H . 16273 1 285 . 1 1 25 25 ALA HA H 1 5.682 0.013 . . . . . . 25 ALA HA . 16273 1 286 . 1 1 25 25 ALA HB1 H 1 0.988 0.006 . . . . . . 25 ALA HB1 . 16273 1 287 . 1 1 25 25 ALA HB2 H 1 0.988 0.006 . . . . . . 25 ALA HB2 . 16273 1 288 . 1 1 25 25 ALA HB3 H 1 0.988 0.006 . . . . . . 25 ALA HB3 . 16273 1 289 . 1 1 25 25 ALA C C 13 175.269 0.016 . . . . . . 25 ALA C . 16273 1 290 . 1 1 25 25 ALA CA C 13 50.701 0.040 . . . . . . 25 ALA CA . 16273 1 291 . 1 1 25 25 ALA CB C 13 23.748 0.052 . . . . . . 25 ALA CB . 16273 1 292 . 1 1 25 25 ALA N N 15 128.192 0.037 . . . . . . 25 ALA N . 16273 1 293 . 1 1 26 26 VAL H H 1 8.415 0.007 . . . . . . 26 VAL H . 16273 1 294 . 1 1 26 26 VAL HA H 1 4.585 0.006 . . . . . . 26 VAL HA . 16273 1 295 . 1 1 26 26 VAL HB H 1 1.542 0.004 . . . . . . 26 VAL HB . 16273 1 296 . 1 1 26 26 VAL HG11 H 1 0.359 0.008 . . . . . . 26 VAL HG11 . 16273 1 297 . 1 1 26 26 VAL HG12 H 1 0.359 0.008 . . . . . . 26 VAL HG12 . 16273 1 298 . 1 1 26 26 VAL HG13 H 1 0.359 0.008 . . . . . . 26 VAL HG13 . 16273 1 299 . 1 1 26 26 VAL HG21 H 1 0.086 0.007 . . . . . . 26 VAL HG21 . 16273 1 300 . 1 1 26 26 VAL HG22 H 1 0.086 0.007 . . . . . . 26 VAL HG22 . 16273 1 301 . 1 1 26 26 VAL HG23 H 1 0.086 0.007 . . . . . . 26 VAL HG23 . 16273 1 302 . 1 1 26 26 VAL C C 13 172.207 0.005 . . . . . . 26 VAL C . 16273 1 303 . 1 1 26 26 VAL CA C 13 59.397 0.062 . . . . . . 26 VAL CA . 16273 1 304 . 1 1 26 26 VAL CB C 13 36.048 0.067 . . . . . . 26 VAL CB . 16273 1 305 . 1 1 26 26 VAL CG1 C 13 20.334 0.021 . . . . . . 26 VAL CG1 . 16273 1 306 . 1 1 26 26 VAL CG2 C 13 21.065 0.042 . . . . . . 26 VAL CG2 . 16273 1 307 . 1 1 26 26 VAL N N 15 115.828 0.039 . . . . . . 26 VAL N . 16273 1 308 . 1 1 27 27 GLN H H 1 8.385 0.003 . . . . . . 27 GLN H . 16273 1 309 . 1 1 27 27 GLN HA H 1 4.863 0.002 . . . . . . 27 GLN HA . 16273 1 310 . 1 1 27 27 GLN HB2 H 1 1.790 0.010 . . . . . . 27 GLN HB2 . 16273 1 311 . 1 1 27 27 GLN HB3 H 1 1.988 0.005 . . . . . . 27 GLN HB3 . 16273 1 312 . 1 1 27 27 GLN HE21 H 1 7.395 0.002 . . . . . . 27 GLN HE21 . 16273 1 313 . 1 1 27 27 GLN HE22 H 1 6.712 0.002 . . . . . . 27 GLN HE22 . 16273 1 314 . 1 1 27 27 GLN HG2 H 1 2.173 0.004 . . . . . . 27 GLN HG2 . 16273 1 315 . 1 1 27 27 GLN HG3 H 1 2.244 0.003 . . . . . . 27 GLN HG3 . 16273 1 316 . 1 1 27 27 GLN C C 13 174.460 0.008 . . . . . . 27 GLN C . 16273 1 317 . 1 1 27 27 GLN CA C 13 54.853 0.049 . . . . . . 27 GLN CA . 16273 1 318 . 1 1 27 27 GLN CB C 13 30.015 0.022 . . . . . . 27 GLN CB . 16273 1 319 . 1 1 27 27 GLN CG C 13 33.840 0.000 . . . . . . 27 GLN CG . 16273 1 320 . 1 1 27 27 GLN N N 15 124.933 0.057 . . . . . . 27 GLN N . 16273 1 321 . 1 1 27 27 GLN NE2 N 15 111.146 0.063 . . . . . . 27 GLN NE2 . 16273 1 322 . 1 1 28 28 GLY H H 1 8.641 0.010 . . . . . . 28 GLY H . 16273 1 323 . 1 1 28 28 GLY HA2 H 1 3.615 0.008 . . . . . . 28 GLY HA2 . 16273 1 324 . 1 1 28 28 GLY HA3 H 1 4.783 0.002 . . . . . . 28 GLY HA3 . 16273 1 325 . 1 1 28 28 GLY C C 13 171.730 0.024 . . . . . . 28 GLY C . 16273 1 326 . 1 1 28 28 GLY CA C 13 44.986 0.027 . . . . . . 28 GLY CA . 16273 1 327 . 1 1 28 28 GLY N N 15 108.781 0.027 . . . . . . 28 GLY N . 16273 1 328 . 1 1 29 29 VAL H H 1 8.769 0.009 . . . . . . 29 VAL H . 16273 1 329 . 1 1 29 29 VAL HA H 1 4.717 0.006 . . . . . . 29 VAL HA . 16273 1 330 . 1 1 29 29 VAL HB H 1 1.913 0.006 . . . . . . 29 VAL HB . 16273 1 331 . 1 1 29 29 VAL HG11 H 1 0.803 0.003 . . . . . . 29 VAL HG11 . 16273 1 332 . 1 1 29 29 VAL HG12 H 1 0.803 0.003 . . . . . . 29 VAL HG12 . 16273 1 333 . 1 1 29 29 VAL HG13 H 1 0.803 0.003 . . . . . . 29 VAL HG13 . 16273 1 334 . 1 1 29 29 VAL HG21 H 1 0.936 0.003 . . . . . . 29 VAL HG21 . 16273 1 335 . 1 1 29 29 VAL HG22 H 1 0.936 0.003 . . . . . . 29 VAL HG22 . 16273 1 336 . 1 1 29 29 VAL HG23 H 1 0.936 0.003 . . . . . . 29 VAL HG23 . 16273 1 337 . 1 1 29 29 VAL C C 13 175.043 0.014 . . . . . . 29 VAL C . 16273 1 338 . 1 1 29 29 VAL CA C 13 61.080 0.050 . . . . . . 29 VAL CA . 16273 1 339 . 1 1 29 29 VAL CB C 13 35.039 0.043 . . . . . . 29 VAL CB . 16273 1 340 . 1 1 29 29 VAL CG1 C 13 22.176 0.023 . . . . . . 29 VAL CG1 . 16273 1 341 . 1 1 29 29 VAL CG2 C 13 21.177 0.019 . . . . . . 29 VAL CG2 . 16273 1 342 . 1 1 29 29 VAL N N 15 118.186 0.045 . . . . . . 29 VAL N . 16273 1 343 . 1 1 30 30 LEU H H 1 9.421 0.004 . . . . . . 30 LEU H . 16273 1 344 . 1 1 30 30 LEU HA H 1 4.207 0.007 . . . . . . 30 LEU HA . 16273 1 345 . 1 1 30 30 LEU HB2 H 1 1.829 0.008 . . . . . . 30 LEU HB2 . 16273 1 346 . 1 1 30 30 LEU HB3 H 1 1.141 0.010 . . . . . . 30 LEU HB3 . 16273 1 347 . 1 1 30 30 LEU HD11 H 1 0.442 0.005 . . . . . . 30 LEU HD11 . 16273 1 348 . 1 1 30 30 LEU HD12 H 1 0.442 0.005 . . . . . . 30 LEU HD12 . 16273 1 349 . 1 1 30 30 LEU HD13 H 1 0.442 0.005 . . . . . . 30 LEU HD13 . 16273 1 350 . 1 1 30 30 LEU HD21 H 1 0.717 0.002 . . . . . . 30 LEU HD21 . 16273 1 351 . 1 1 30 30 LEU HD22 H 1 0.717 0.002 . . . . . . 30 LEU HD22 . 16273 1 352 . 1 1 30 30 LEU HD23 H 1 0.717 0.002 . . . . . . 30 LEU HD23 . 16273 1 353 . 1 1 30 30 LEU HG H 1 1.135 0.004 . . . . . . 30 LEU HG . 16273 1 354 . 1 1 30 30 LEU C C 13 176.385 0.029 . . . . . . 30 LEU C . 16273 1 355 . 1 1 30 30 LEU CA C 13 54.344 0.073 . . . . . . 30 LEU CA . 16273 1 356 . 1 1 30 30 LEU CB C 13 43.683 0.055 . . . . . . 30 LEU CB . 16273 1 357 . 1 1 30 30 LEU CD1 C 13 23.428 0.020 . . . . . . 30 LEU CD1 . 16273 1 358 . 1 1 30 30 LEU CD2 C 13 26.179 0.052 . . . . . . 30 LEU CD2 . 16273 1 359 . 1 1 30 30 LEU CG C 13 27.390 0.000 . . . . . . 30 LEU CG . 16273 1 360 . 1 1 30 30 LEU N N 15 129.184 0.038 . . . . . . 30 LEU N . 16273 1 361 . 1 1 31 31 CYS H H 1 8.732 0.005 . . . . . . 31 CYS H . 16273 1 362 . 1 1 31 31 CYS HA H 1 4.815 0.001 . . . . . . 31 CYS HA . 16273 1 363 . 1 1 31 31 CYS HB2 H 1 2.737 0.004 . . . . . . 31 CYS HB2 . 16273 1 364 . 1 1 31 31 CYS HB3 H 1 2.664 0.003 . . . . . . 31 CYS HB3 . 16273 1 365 . 1 1 31 31 CYS C C 13 174.060 0.023 . . . . . . 31 CYS C . 16273 1 366 . 1 1 31 31 CYS CA C 13 58.203 0.030 . . . . . . 31 CYS CA . 16273 1 367 . 1 1 31 31 CYS CB C 13 28.058 0.037 . . . . . . 31 CYS CB . 16273 1 368 . 1 1 31 31 CYS N N 15 127.798 0.082 . . . . . . 31 CYS N . 16273 1 369 . 1 1 32 32 LYS H H 1 7.922 0.011 . . . . . . 32 LYS H . 16273 1 370 . 1 1 32 32 LYS HA H 1 4.482 0.010 . . . . . . 32 LYS HA . 16273 1 371 . 1 1 32 32 LYS HB2 H 1 1.692 0.005 . . . . . . 32 LYS HB2 . 16273 1 372 . 1 1 32 32 LYS HB3 H 1 1.493 0.006 . . . . . . 32 LYS HB3 . 16273 1 373 . 1 1 32 32 LYS HD2 H 1 1.586 0.007 . . . . . . 32 LYS HD2 . 16273 1 374 . 1 1 32 32 LYS HD3 H 1 1.586 0.007 . . . . . . 32 LYS HD3 . 16273 1 375 . 1 1 32 32 LYS HE2 H 1 2.866 0.006 . . . . . . 32 LYS HE2 . 16273 1 376 . 1 1 32 32 LYS HE3 H 1 2.866 0.006 . . . . . . 32 LYS HE3 . 16273 1 377 . 1 1 32 32 LYS HG2 H 1 1.249 0.007 . . . . . . 32 LYS HG2 . 16273 1 378 . 1 1 32 32 LYS HG3 H 1 1.249 0.007 . . . . . . 32 LYS HG3 . 16273 1 379 . 1 1 32 32 LYS C C 13 177.572 0.000 . . . . . . 32 LYS C . 16273 1 380 . 1 1 32 32 LYS CA C 13 55.353 0.080 . . . . . . 32 LYS CA . 16273 1 381 . 1 1 32 32 LYS CB C 13 33.559 0.043 . . . . . . 32 LYS CB . 16273 1 382 . 1 1 32 32 LYS CD C 13 29.430 0.001 . . . . . . 32 LYS CD . 16273 1 383 . 1 1 32 32 LYS CE C 13 42.060 0.035 . . . . . . 32 LYS CE . 16273 1 384 . 1 1 32 32 LYS CG C 13 24.687 0.044 . . . . . . 32 LYS CG . 16273 1 385 . 1 1 32 32 LYS N N 15 126.748 0.072 . . . . . . 32 LYS N . 16273 1 386 . 1 1 33 33 GLY H H 1 8.541 0.009 . . . . . . 33 GLY H . 16273 1 387 . 1 1 33 33 GLY HA2 H 1 3.959 0.016 . . . . . . 33 GLY HA2 . 16273 1 388 . 1 1 33 33 GLY HA3 H 1 3.650 0.014 . . . . . . 33 GLY HA3 . 16273 1 389 . 1 1 33 33 GLY C C 13 174.927 0.004 . . . . . . 33 GLY C . 16273 1 390 . 1 1 33 33 GLY CA C 13 47.129 0.030 . . . . . . 33 GLY CA . 16273 1 391 . 1 1 33 33 GLY N N 15 109.962 0.026 . . . . . . 33 GLY N . 16273 1 392 . 1 1 34 34 ASP H H 1 8.830 0.011 . . . . . . 34 ASP H . 16273 1 393 . 1 1 34 34 ASP HA H 1 4.592 0.006 . . . . . . 34 ASP HA . 16273 1 394 . 1 1 34 34 ASP HB2 H 1 2.613 0.012 . . . . . . 34 ASP HB2 . 16273 1 395 . 1 1 34 34 ASP HB3 H 1 2.712 0.007 . . . . . . 34 ASP HB3 . 16273 1 396 . 1 1 34 34 ASP C C 13 175.949 0.005 . . . . . . 34 ASP C . 16273 1 397 . 1 1 34 34 ASP CA C 13 54.451 0.022 . . . . . . 34 ASP CA . 16273 1 398 . 1 1 34 34 ASP CB C 13 40.865 0.024 . . . . . . 34 ASP CB . 16273 1 399 . 1 1 34 34 ASP N N 15 126.161 0.075 . . . . . . 34 ASP N . 16273 1 400 . 1 1 35 35 SER H H 1 8.057 0.004 . . . . . . 35 SER H . 16273 1 401 . 1 1 35 35 SER HA H 1 4.556 0.012 . . . . . . 35 SER HA . 16273 1 402 . 1 1 35 35 SER HB2 H 1 4.013 0.005 . . . . . . 35 SER HB2 . 16273 1 403 . 1 1 35 35 SER HB3 H 1 3.908 0.009 . . . . . . 35 SER HB3 . 16273 1 404 . 1 1 35 35 SER C C 13 174.345 0.001 . . . . . . 35 SER C . 16273 1 405 . 1 1 35 35 SER CA C 13 58.143 0.026 . . . . . . 35 SER CA . 16273 1 406 . 1 1 35 35 SER CB C 13 64.574 0.072 . . . . . . 35 SER CB . 16273 1 407 . 1 1 35 35 SER N N 15 115.603 0.071 . . . . . . 35 SER N . 16273 1 408 . 1 1 36 36 ARG H H 1 8.609 0.007 . . . . . . 36 ARG H . 16273 1 409 . 1 1 36 36 ARG HA H 1 4.961 0.012 . . . . . . 36 ARG HA . 16273 1 410 . 1 1 36 36 ARG HB2 H 1 1.718 0.005 . . . . . . 36 ARG HB2 . 16273 1 411 . 1 1 36 36 ARG HB3 H 1 1.515 0.003 . . . . . . 36 ARG HB3 . 16273 1 412 . 1 1 36 36 ARG HD2 H 1 3.135 0.003 . . . . . . 36 ARG HD2 . 16273 1 413 . 1 1 36 36 ARG HD3 H 1 3.135 0.003 . . . . . . 36 ARG HD3 . 16273 1 414 . 1 1 36 36 ARG C C 13 175.423 0.009 . . . . . . 36 ARG C . 16273 1 415 . 1 1 36 36 ARG CA C 13 54.724 0.028 . . . . . . 36 ARG CA . 16273 1 416 . 1 1 36 36 ARG CB C 13 32.184 0.064 . . . . . . 36 ARG CB . 16273 1 417 . 1 1 36 36 ARG CD C 13 43.760 0.060 . . . . . . 36 ARG CD . 16273 1 418 . 1 1 36 36 ARG N N 15 126.901 0.056 . . . . . . 36 ARG N . 16273 1 419 . 1 1 37 37 GLN H H 1 8.522 0.006 . . . . . . 37 GLN H . 16273 1 420 . 1 1 37 37 GLN HA H 1 4.743 0.009 . . . . . . 37 GLN HA . 16273 1 421 . 1 1 37 37 GLN HB2 H 1 1.820 0.000 . . . . . . 37 GLN HB2 . 16273 1 422 . 1 1 37 37 GLN HB3 H 1 2.124 0.007 . . . . . . 37 GLN HB3 . 16273 1 423 . 1 1 37 37 GLN HE21 H 1 6.877 0.005 . . . . . . 37 GLN HE21 . 16273 1 424 . 1 1 37 37 GLN HE22 H 1 7.420 0.004 . . . . . . 37 GLN HE22 . 16273 1 425 . 1 1 37 37 GLN HG2 H 1 2.322 0.006 . . . . . . 37 GLN HG2 . 16273 1 426 . 1 1 37 37 GLN HG3 H 1 2.322 0.006 . . . . . . 37 GLN HG3 . 16273 1 427 . 1 1 37 37 GLN C C 13 175.033 0.035 . . . . . . 37 GLN C . 16273 1 428 . 1 1 37 37 GLN CA C 13 54.188 0.033 . . . . . . 37 GLN CA . 16273 1 429 . 1 1 37 37 GLN CB C 13 32.673 0.032 . . . . . . 37 GLN CB . 16273 1 430 . 1 1 37 37 GLN CG C 13 33.450 0.000 . . . . . . 37 GLN CG . 16273 1 431 . 1 1 37 37 GLN N N 15 121.445 0.073 . . . . . . 37 GLN N . 16273 1 432 . 1 1 37 37 GLN NE2 N 15 111.239 0.060 . . . . . . 37 GLN NE2 . 16273 1 433 . 1 1 38 38 SER H H 1 9.096 0.004 . . . . . . 38 SER H . 16273 1 434 . 1 1 38 38 SER HA H 1 4.847 0.005 . . . . . . 38 SER HA . 16273 1 435 . 1 1 38 38 SER HB2 H 1 3.862 0.002 . . . . . . 38 SER HB2 . 16273 1 436 . 1 1 38 38 SER HB3 H 1 3.862 0.002 . . . . . . 38 SER HB3 . 16273 1 437 . 1 1 38 38 SER C C 13 176.714 0.037 . . . . . . 38 SER C . 16273 1 438 . 1 1 38 38 SER CA C 13 59.909 0.050 . . . . . . 38 SER CA . 16273 1 439 . 1 1 38 38 SER CB C 13 62.568 0.057 . . . . . . 38 SER CB . 16273 1 440 . 1 1 38 38 SER N N 15 119.757 0.076 . . . . . . 38 SER N . 16273 1 441 . 1 1 39 39 ARG H H 1 9.359 0.024 . . . . . . 39 ARG H . 16273 1 442 . 1 1 39 39 ARG HA H 1 5.395 0.009 . . . . . . 39 ARG HA . 16273 1 443 . 1 1 39 39 ARG HB3 H 1 1.820 0.000 . . . . . . 39 ARG HB3 . 16273 1 444 . 1 1 39 39 ARG HG2 H 1 1.701 0.000 . . . . . . 39 ARG HG2 . 16273 1 445 . 1 1 39 39 ARG HG3 H 1 1.701 0.000 . . . . . . 39 ARG HG3 . 16273 1 446 . 1 1 39 39 ARG C C 13 174.758 0.027 . . . . . . 39 ARG C . 16273 1 447 . 1 1 39 39 ARG CA C 13 53.384 0.070 . . . . . . 39 ARG CA . 16273 1 448 . 1 1 39 39 ARG CB C 13 36.434 0.070 . . . . . . 39 ARG CB . 16273 1 449 . 1 1 39 39 ARG N N 15 127.559 0.123 . . . . . . 39 ARG N . 16273 1 450 . 1 1 40 40 LEU H H 1 8.937 0.005 . . . . . . 40 LEU H . 16273 1 451 . 1 1 40 40 LEU HA H 1 4.912 0.015 . . . . . . 40 LEU HA . 16273 1 452 . 1 1 40 40 LEU HB2 H 1 1.504 0.007 . . . . . . 40 LEU HB2 . 16273 1 453 . 1 1 40 40 LEU HB3 H 1 1.238 0.007 . . . . . . 40 LEU HB3 . 16273 1 454 . 1 1 40 40 LEU HD11 H 1 0.378 0.003 . . . . . . 40 LEU HD11 . 16273 1 455 . 1 1 40 40 LEU HD12 H 1 0.378 0.003 . . . . . . 40 LEU HD12 . 16273 1 456 . 1 1 40 40 LEU HD13 H 1 0.378 0.003 . . . . . . 40 LEU HD13 . 16273 1 457 . 1 1 40 40 LEU HD21 H 1 0.487 0.001 . . . . . . 40 LEU HD21 . 16273 1 458 . 1 1 40 40 LEU HD22 H 1 0.487 0.001 . . . . . . 40 LEU HD22 . 16273 1 459 . 1 1 40 40 LEU HD23 H 1 0.487 0.001 . . . . . . 40 LEU HD23 . 16273 1 460 . 1 1 40 40 LEU HG H 1 1.267 0.002 . . . . . . 40 LEU HG . 16273 1 461 . 1 1 40 40 LEU C C 13 175.454 0.060 . . . . . . 40 LEU C . 16273 1 462 . 1 1 40 40 LEU CA C 13 53.837 0.039 . . . . . . 40 LEU CA . 16273 1 463 . 1 1 40 40 LEU CB C 13 43.696 0.023 . . . . . . 40 LEU CB . 16273 1 464 . 1 1 40 40 LEU CD1 C 13 23.779 0.034 . . . . . . 40 LEU CD1 . 16273 1 465 . 1 1 40 40 LEU CD2 C 13 24.736 0.037 . . . . . . 40 LEU CD2 . 16273 1 466 . 1 1 40 40 LEU CG C 13 27.357 0.034 . . . . . . 40 LEU CG . 16273 1 467 . 1 1 40 40 LEU N N 15 119.417 0.149 . . . . . . 40 LEU N . 16273 1 468 . 1 1 41 41 LEU H H 1 9.134 0.005 . . . . . . 41 LEU H . 16273 1 469 . 1 1 41 41 LEU HA H 1 5.037 0.010 . . . . . . 41 LEU HA . 16273 1 470 . 1 1 41 41 LEU HB2 H 1 1.372 0.005 . . . . . . 41 LEU HB2 . 16273 1 471 . 1 1 41 41 LEU HB3 H 1 1.166 0.007 . . . . . . 41 LEU HB3 . 16273 1 472 . 1 1 41 41 LEU HD11 H 1 -0.123 0.004 . . . . . . 41 LEU HD11 . 16273 1 473 . 1 1 41 41 LEU HD12 H 1 -0.123 0.004 . . . . . . 41 LEU HD12 . 16273 1 474 . 1 1 41 41 LEU HD13 H 1 -0.123 0.004 . . . . . . 41 LEU HD13 . 16273 1 475 . 1 1 41 41 LEU HD21 H 1 0.305 0.003 . . . . . . 41 LEU HD21 . 16273 1 476 . 1 1 41 41 LEU HD22 H 1 0.305 0.003 . . . . . . 41 LEU HD22 . 16273 1 477 . 1 1 41 41 LEU HD23 H 1 0.305 0.003 . . . . . . 41 LEU HD23 . 16273 1 478 . 1 1 41 41 LEU HG H 1 1.182 0.008 . . . . . . 41 LEU HG . 16273 1 479 . 1 1 41 41 LEU C C 13 175.084 0.003 . . . . . . 41 LEU C . 16273 1 480 . 1 1 41 41 LEU CA C 13 55.204 0.051 . . . . . . 41 LEU CA . 16273 1 481 . 1 1 41 41 LEU CB C 13 43.288 0.054 . . . . . . 41 LEU CB . 16273 1 482 . 1 1 41 41 LEU CD1 C 13 25.535 0.198 . . . . . . 41 LEU CD1 . 16273 1 483 . 1 1 41 41 LEU CD2 C 13 24.197 0.021 . . . . . . 41 LEU CD2 . 16273 1 484 . 1 1 41 41 LEU CG C 13 28.791 0.093 . . . . . . 41 LEU CG . 16273 1 485 . 1 1 41 41 LEU N N 15 124.957 0.049 . . . . . . 41 LEU N . 16273 1 486 . 1 1 42 42 GLY H H 1 9.547 0.006 . . . . . . 42 GLY H . 16273 1 487 . 1 1 42 42 GLY HA2 H 1 3.259 0.006 . . . . . . 42 GLY HA2 . 16273 1 488 . 1 1 42 42 GLY HA3 H 1 4.976 0.004 . . . . . . 42 GLY HA3 . 16273 1 489 . 1 1 42 42 GLY C C 13 171.790 0.019 . . . . . . 42 GLY C . 16273 1 490 . 1 1 42 42 GLY CA C 13 44.583 0.027 . . . . . . 42 GLY CA . 16273 1 491 . 1 1 42 42 GLY N N 15 107.566 0.031 . . . . . . 42 GLY N . 16273 1 492 . 1 1 43 43 LEU H H 1 8.633 0.008 . . . . . . 43 LEU H . 16273 1 493 . 1 1 43 43 LEU HA H 1 4.831 0.012 . . . . . . 43 LEU HA . 16273 1 494 . 1 1 43 43 LEU HB2 H 1 2.012 0.010 . . . . . . 43 LEU HB2 . 16273 1 495 . 1 1 43 43 LEU HB3 H 1 0.882 0.008 . . . . . . 43 LEU HB3 . 16273 1 496 . 1 1 43 43 LEU HD11 H 1 0.500 0.006 . . . . . . 43 LEU HD11 . 16273 1 497 . 1 1 43 43 LEU HD12 H 1 0.500 0.006 . . . . . . 43 LEU HD12 . 16273 1 498 . 1 1 43 43 LEU HD13 H 1 0.500 0.006 . . . . . . 43 LEU HD13 . 16273 1 499 . 1 1 43 43 LEU HD21 H 1 0.715 0.004 . . . . . . 43 LEU HD21 . 16273 1 500 . 1 1 43 43 LEU HD22 H 1 0.715 0.004 . . . . . . 43 LEU HD22 . 16273 1 501 . 1 1 43 43 LEU HD23 H 1 0.715 0.004 . . . . . . 43 LEU HD23 . 16273 1 502 . 1 1 43 43 LEU HG H 1 1.398 0.008 . . . . . . 43 LEU HG . 16273 1 503 . 1 1 43 43 LEU C C 13 173.252 0.008 . . . . . . 43 LEU C . 16273 1 504 . 1 1 43 43 LEU CA C 13 54.594 0.022 . . . . . . 43 LEU CA . 16273 1 505 . 1 1 43 43 LEU CB C 13 42.389 0.032 . . . . . . 43 LEU CB . 16273 1 506 . 1 1 43 43 LEU CD1 C 13 25.909 0.030 . . . . . . 43 LEU CD1 . 16273 1 507 . 1 1 43 43 LEU CD2 C 13 23.393 0.046 . . . . . . 43 LEU CD2 . 16273 1 508 . 1 1 43 43 LEU CG C 13 27.988 0.022 . . . . . . 43 LEU CG . 16273 1 509 . 1 1 43 43 LEU N N 15 127.345 0.047 . . . . . . 43 LEU N . 16273 1 510 . 1 1 44 44 VAL H H 1 9.357 0.004 . . . . . . 44 VAL H . 16273 1 511 . 1 1 44 44 VAL HA H 1 4.609 0.008 . . . . . . 44 VAL HA . 16273 1 512 . 1 1 44 44 VAL HB H 1 1.617 0.006 . . . . . . 44 VAL HB . 16273 1 513 . 1 1 44 44 VAL HG11 H 1 0.077 0.006 . . . . . . 44 VAL HG11 . 16273 1 514 . 1 1 44 44 VAL HG12 H 1 0.077 0.006 . . . . . . 44 VAL HG12 . 16273 1 515 . 1 1 44 44 VAL HG13 H 1 0.077 0.006 . . . . . . 44 VAL HG13 . 16273 1 516 . 1 1 44 44 VAL HG21 H 1 0.527 0.006 . . . . . . 44 VAL HG21 . 16273 1 517 . 1 1 44 44 VAL HG22 H 1 0.527 0.006 . . . . . . 44 VAL HG22 . 16273 1 518 . 1 1 44 44 VAL HG23 H 1 0.527 0.006 . . . . . . 44 VAL HG23 . 16273 1 519 . 1 1 44 44 VAL C C 13 173.217 0.002 . . . . . . 44 VAL C . 16273 1 520 . 1 1 44 44 VAL CA C 13 62.101 0.051 . . . . . . 44 VAL CA . 16273 1 521 . 1 1 44 44 VAL CB C 13 33.825 0.035 . . . . . . 44 VAL CB . 16273 1 522 . 1 1 44 44 VAL CG1 C 13 20.893 0.050 . . . . . . 44 VAL CG1 . 16273 1 523 . 1 1 44 44 VAL CG2 C 13 21.806 0.041 . . . . . . 44 VAL CG2 . 16273 1 524 . 1 1 44 44 VAL N N 15 131.117 0.043 . . . . . . 44 VAL N . 16273 1 525 . 1 1 45 45 ARG H H 1 9.196 0.006 . . . . . . 45 ARG H . 16273 1 526 . 1 1 45 45 ARG HA H 1 4.565 0.001 . . . . . . 45 ARG HA . 16273 1 527 . 1 1 45 45 ARG HB2 H 1 1.669 0.001 . . . . . . 45 ARG HB2 . 16273 1 528 . 1 1 45 45 ARG HB3 H 1 1.714 0.006 . . . . . . 45 ARG HB3 . 16273 1 529 . 1 1 45 45 ARG C C 13 174.025 0.000 . . . . . . 45 ARG C . 16273 1 530 . 1 1 45 45 ARG CA C 13 53.769 0.034 . . . . . . 45 ARG CA . 16273 1 531 . 1 1 45 45 ARG CB C 13 35.217 0.028 . . . . . . 45 ARG CB . 16273 1 532 . 1 1 45 45 ARG N N 15 127.813 0.034 . . . . . . 45 ARG N . 16273 1 533 . 1 1 46 46 TYR H H 1 8.722 0.007 . . . . . . 46 TYR H . 16273 1 534 . 1 1 46 46 TYR HA H 1 4.468 0.006 . . . . . . 46 TYR HA . 16273 1 535 . 1 1 46 46 TYR HB2 H 1 2.904 0.000 . . . . . . 46 TYR HB2 . 16273 1 536 . 1 1 46 46 TYR HB3 H 1 3.065 0.008 . . . . . . 46 TYR HB3 . 16273 1 537 . 1 1 46 46 TYR HD1 H 1 6.066 0.010 . . . . . . 46 TYR HD1 . 16273 1 538 . 1 1 46 46 TYR HD2 H 1 6.066 0.010 . . . . . . 46 TYR HD2 . 16273 1 539 . 1 1 46 46 TYR HE1 H 1 6.684 0.006 . . . . . . 46 TYR HE1 . 16273 1 540 . 1 1 46 46 TYR HE2 H 1 6.684 0.006 . . . . . . 46 TYR HE2 . 16273 1 541 . 1 1 46 46 TYR C C 13 173.444 0.000 . . . . . . 46 TYR C . 16273 1 542 . 1 1 46 46 TYR CA C 13 56.240 0.106 . . . . . . 46 TYR CA . 16273 1 543 . 1 1 46 46 TYR CB C 13 39.744 0.000 . . . . . . 46 TYR CB . 16273 1 544 . 1 1 46 46 TYR CD1 C 13 132.509 0.043 . . . . . . 46 TYR CD1 . 16273 1 545 . 1 1 46 46 TYR CD2 C 13 132.522 0.000 . . . . . . 46 TYR CD2 . 16273 1 546 . 1 1 46 46 TYR CE1 C 13 117.598 0.003 . . . . . . 46 TYR CE1 . 16273 1 547 . 1 1 46 46 TYR CE2 C 13 117.594 0.000 . . . . . . 46 TYR CE2 . 16273 1 548 . 1 1 46 46 TYR N N 15 128.775 0.032 . . . . . . 46 TYR N . 16273 1 549 . 1 1 47 47 ARG H H 1 7.100 0.009 . . . . . . 47 ARG H . 16273 1 550 . 1 1 47 47 ARG HA H 1 4.364 0.001 . . . . . . 47 ARG HA . 16273 1 551 . 1 1 47 47 ARG HB2 H 1 1.518 0.001 . . . . . . 47 ARG HB2 . 16273 1 552 . 1 1 47 47 ARG HB3 H 1 1.374 0.002 . . . . . . 47 ARG HB3 . 16273 1 553 . 1 1 47 47 ARG HD2 H 1 2.961 0.008 . . . . . . 47 ARG HD2 . 16273 1 554 . 1 1 47 47 ARG HD3 H 1 2.961 0.008 . . . . . . 47 ARG HD3 . 16273 1 555 . 1 1 47 47 ARG HE H 1 6.960 0.000 . . . . . . 47 ARG HE . 16273 1 556 . 1 1 47 47 ARG HG2 H 1 1.376 0.002 . . . . . . 47 ARG HG2 . 16273 1 557 . 1 1 47 47 ARG HG3 H 1 1.376 0.002 . . . . . . 47 ARG HG3 . 16273 1 558 . 1 1 47 47 ARG C C 13 174.388 0.000 . . . . . . 47 ARG C . 16273 1 559 . 1 1 47 47 ARG CA C 13 55.196 0.000 . . . . . . 47 ARG CA . 16273 1 560 . 1 1 47 47 ARG CB C 13 31.443 0.116 . . . . . . 47 ARG CB . 16273 1 561 . 1 1 47 47 ARG CD C 13 43.360 0.000 . . . . . . 47 ARG CD . 16273 1 562 . 1 1 47 47 ARG CG C 13 27.251 0.009 . . . . . . 47 ARG CG . 16273 1 563 . 1 1 47 47 ARG N N 15 126.449 0.032 . . . . . . 47 ARG N . 16273 1 564 . 1 1 47 47 ARG NE N 15 119.164 0.000 . . . . . . 47 ARG NE . 16273 1 565 . 1 1 48 48 LEU H H 1 8.246 0.006 . . . . . . 48 LEU H . 16273 1 566 . 1 1 48 48 LEU HA H 1 4.251 0.013 . . . . . . 48 LEU HA . 16273 1 567 . 1 1 48 48 LEU HB2 H 1 1.713 0.004 . . . . . . 48 LEU HB2 . 16273 1 568 . 1 1 48 48 LEU HB3 H 1 1.590 0.002 . . . . . . 48 LEU HB3 . 16273 1 569 . 1 1 48 48 LEU HD11 H 1 0.925 0.004 . . . . . . 48 LEU HD11 . 16273 1 570 . 1 1 48 48 LEU HD12 H 1 0.925 0.004 . . . . . . 48 LEU HD12 . 16273 1 571 . 1 1 48 48 LEU HD13 H 1 0.925 0.004 . . . . . . 48 LEU HD13 . 16273 1 572 . 1 1 48 48 LEU HD21 H 1 0.853 0.004 . . . . . . 48 LEU HD21 . 16273 1 573 . 1 1 48 48 LEU HD22 H 1 0.853 0.004 . . . . . . 48 LEU HD22 . 16273 1 574 . 1 1 48 48 LEU HD23 H 1 0.853 0.004 . . . . . . 48 LEU HD23 . 16273 1 575 . 1 1 48 48 LEU HG H 1 1.536 0.006 . . . . . . 48 LEU HG . 16273 1 576 . 1 1 48 48 LEU C C 13 177.525 0.011 . . . . . . 48 LEU C . 16273 1 577 . 1 1 48 48 LEU CA C 13 54.984 0.031 . . . . . . 48 LEU CA . 16273 1 578 . 1 1 48 48 LEU CB C 13 43.051 0.137 . . . . . . 48 LEU CB . 16273 1 579 . 1 1 48 48 LEU CD1 C 13 25.125 0.039 . . . . . . 48 LEU CD1 . 16273 1 580 . 1 1 48 48 LEU CD2 C 13 25.508 0.051 . . . . . . 48 LEU CD2 . 16273 1 581 . 1 1 48 48 LEU CG C 13 28.629 0.046 . . . . . . 48 LEU CG . 16273 1 582 . 1 1 48 48 LEU N N 15 125.618 0.031 . . . . . . 48 LEU N . 16273 1 583 . 1 1 49 49 GLU H H 1 8.471 0.005 . . . . . . 49 GLU H . 16273 1 584 . 1 1 49 49 GLU HA H 1 4.011 0.004 . . . . . . 49 GLU HA . 16273 1 585 . 1 1 49 49 GLU HB2 H 1 2.001 0.010 . . . . . . 49 GLU HB2 . 16273 1 586 . 1 1 49 49 GLU HB3 H 1 1.956 0.003 . . . . . . 49 GLU HB3 . 16273 1 587 . 1 1 49 49 GLU HG2 H 1 2.258 0.007 . . . . . . 49 GLU HG2 . 16273 1 588 . 1 1 49 49 GLU HG3 H 1 2.258 0.007 . . . . . . 49 GLU HG3 . 16273 1 589 . 1 1 49 49 GLU C C 13 176.471 0.025 . . . . . . 49 GLU C . 16273 1 590 . 1 1 49 49 GLU CA C 13 58.101 0.052 . . . . . . 49 GLU CA . 16273 1 591 . 1 1 49 49 GLU CB C 13 29.629 0.012 . . . . . . 49 GLU CB . 16273 1 592 . 1 1 49 49 GLU N N 15 119.420 0.039 . . . . . . 49 GLU N . 16273 1 593 . 1 1 50 50 ASN H H 1 8.116 0.006 . . . . . . 50 ASN H . 16273 1 594 . 1 1 50 50 ASN HA H 1 4.470 0.005 . . . . . . 50 ASN HA . 16273 1 595 . 1 1 50 50 ASN HB2 H 1 2.999 0.012 . . . . . . 50 ASN HB2 . 16273 1 596 . 1 1 50 50 ASN HB3 H 1 2.766 0.008 . . . . . . 50 ASN HB3 . 16273 1 597 . 1 1 50 50 ASN HD21 H 1 7.471 0.004 . . . . . . 50 ASN HD21 . 16273 1 598 . 1 1 50 50 ASN HD22 H 1 6.585 0.006 . . . . . . 50 ASN HD22 . 16273 1 599 . 1 1 50 50 ASN C C 13 175.270 0.018 . . . . . . 50 ASN C . 16273 1 600 . 1 1 50 50 ASN CA C 13 53.299 0.084 . . . . . . 50 ASN CA . 16273 1 601 . 1 1 50 50 ASN CB C 13 37.364 0.048 . . . . . . 50 ASN CB . 16273 1 602 . 1 1 50 50 ASN N N 15 116.149 0.042 . . . . . . 50 ASN N . 16273 1 603 . 1 1 50 50 ASN ND2 N 15 110.288 0.138 . . . . . . 50 ASN ND2 . 16273 1 604 . 1 1 51 51 ASP H H 1 8.168 0.007 . . . . . . 51 ASP H . 16273 1 605 . 1 1 51 51 ASP HA H 1 4.247 0.006 . . . . . . 51 ASP HA . 16273 1 606 . 1 1 51 51 ASP HB2 H 1 2.809 0.006 . . . . . . 51 ASP HB2 . 16273 1 607 . 1 1 51 51 ASP HB3 H 1 2.809 0.006 . . . . . . 51 ASP HB3 . 16273 1 608 . 1 1 51 51 ASP C C 13 175.221 0.001 . . . . . . 51 ASP C . 16273 1 609 . 1 1 51 51 ASP CA C 13 56.120 0.026 . . . . . . 51 ASP CA . 16273 1 610 . 1 1 51 51 ASP CB C 13 40.008 0.062 . . . . . . 51 ASP CB . 16273 1 611 . 1 1 51 51 ASP N N 15 114.361 0.042 . . . . . . 51 ASP N . 16273 1 612 . 1 1 52 52 ALA H H 1 7.482 0.005 . . . . . . 52 ALA H . 16273 1 613 . 1 1 52 52 ALA HA H 1 4.402 0.007 . . . . . . 52 ALA HA . 16273 1 614 . 1 1 52 52 ALA HB1 H 1 1.404 0.007 . . . . . . 52 ALA HB1 . 16273 1 615 . 1 1 52 52 ALA HB2 H 1 1.404 0.007 . . . . . . 52 ALA HB2 . 16273 1 616 . 1 1 52 52 ALA HB3 H 1 1.404 0.007 . . . . . . 52 ALA HB3 . 16273 1 617 . 1 1 52 52 ALA C C 13 176.142 0.011 . . . . . . 52 ALA C . 16273 1 618 . 1 1 52 52 ALA CA C 13 52.307 0.021 . . . . . . 52 ALA CA . 16273 1 619 . 1 1 52 52 ALA CB C 13 19.502 0.057 . . . . . . 52 ALA CB . 16273 1 620 . 1 1 52 52 ALA N N 15 122.169 0.040 . . . . . . 52 ALA N . 16273 1 621 . 1 1 53 53 GLN H H 1 8.423 0.007 . . . . . . 53 GLN H . 16273 1 622 . 1 1 53 53 GLN HA H 1 5.135 0.011 . . . . . . 53 GLN HA . 16273 1 623 . 1 1 53 53 GLN HB2 H 1 1.773 0.006 . . . . . . 53 GLN HB2 . 16273 1 624 . 1 1 53 53 GLN HB3 H 1 1.773 0.006 . . . . . . 53 GLN HB3 . 16273 1 625 . 1 1 53 53 GLN HE21 H 1 7.510 0.002 . . . . . . 53 GLN HE21 . 16273 1 626 . 1 1 53 53 GLN HE22 H 1 6.664 0.006 . . . . . . 53 GLN HE22 . 16273 1 627 . 1 1 53 53 GLN HG2 H 1 2.038 0.008 . . . . . . 53 GLN HG2 . 16273 1 628 . 1 1 53 53 GLN HG3 H 1 2.264 0.009 . . . . . . 53 GLN HG3 . 16273 1 629 . 1 1 53 53 GLN C C 13 175.201 0.024 . . . . . . 53 GLN C . 16273 1 630 . 1 1 53 53 GLN CA C 13 54.428 0.028 . . . . . . 53 GLN CA . 16273 1 631 . 1 1 53 53 GLN CB C 13 31.991 0.036 . . . . . . 53 GLN CB . 16273 1 632 . 1 1 53 53 GLN CG C 13 33.440 0.099 . . . . . . 53 GLN CG . 16273 1 633 . 1 1 53 53 GLN N N 15 116.812 0.060 . . . . . . 53 GLN N . 16273 1 634 . 1 1 53 53 GLN NE2 N 15 109.592 0.026 . . . . . . 53 GLN NE2 . 16273 1 635 . 1 1 54 54 GLU H H 1 8.542 0.004 . . . . . . 54 GLU H . 16273 1 636 . 1 1 54 54 GLU HB2 H 1 1.909 0.018 . . . . . . 54 GLU HB2 . 16273 1 637 . 1 1 54 54 GLU HB3 H 1 1.996 0.000 . . . . . . 54 GLU HB3 . 16273 1 638 . 1 1 54 54 GLU HG2 H 1 2.302 0.000 . . . . . . 54 GLU HG2 . 16273 1 639 . 1 1 54 54 GLU HG3 H 1 2.450 0.002 . . . . . . 54 GLU HG3 . 16273 1 640 . 1 1 54 54 GLU C C 13 174.095 0.014 . . . . . . 54 GLU C . 16273 1 641 . 1 1 54 54 GLU CA C 13 54.804 0.034 . . . . . . 54 GLU CA . 16273 1 642 . 1 1 54 54 GLU CB C 13 34.901 0.000 . . . . . . 54 GLU CB . 16273 1 643 . 1 1 54 54 GLU N N 15 120.393 0.030 . . . . . . 54 GLU N . 16273 1 644 . 1 1 55 55 HIS H H 1 9.753 0.008 . . . . . . 55 HIS H . 16273 1 645 . 1 1 55 55 HIS HA H 1 6.377 0.015 . . . . . . 55 HIS HA . 16273 1 646 . 1 1 55 55 HIS HB2 H 1 3.054 0.010 . . . . . . 55 HIS HB2 . 16273 1 647 . 1 1 55 55 HIS HB3 H 1 2.897 0.006 . . . . . . 55 HIS HB3 . 16273 1 648 . 1 1 55 55 HIS HD2 H 1 6.368 0.004 . . . . . . 55 HIS HD2 . 16273 1 649 . 1 1 55 55 HIS HE1 H 1 7.739 0.010 . . . . . . 55 HIS HE1 . 16273 1 650 . 1 1 55 55 HIS C C 13 174.064 0.022 . . . . . . 55 HIS C . 16273 1 651 . 1 1 55 55 HIS CA C 13 55.720 0.084 . . . . . . 55 HIS CA . 16273 1 652 . 1 1 55 55 HIS CB C 13 35.357 0.064 . . . . . . 55 HIS CB . 16273 1 653 . 1 1 55 55 HIS CD2 C 13 126.628 0.037 . . . . . . 55 HIS CD2 . 16273 1 654 . 1 1 55 55 HIS CE1 C 13 114.300 0.000 . . . . . . 55 HIS CE1 . 16273 1 655 . 1 1 55 55 HIS N N 15 116.907 0.048 . . . . . . 55 HIS N . 16273 1 656 . 1 1 56 56 ALA H H 1 9.523 0.007 . . . . . . 56 ALA H . 16273 1 657 . 1 1 56 56 ALA HA H 1 4.708 0.004 . . . . . . 56 ALA HA . 16273 1 658 . 1 1 56 56 ALA HB1 H 1 1.276 0.004 . . . . . . 56 ALA HB1 . 16273 1 659 . 1 1 56 56 ALA HB2 H 1 1.276 0.004 . . . . . . 56 ALA HB2 . 16273 1 660 . 1 1 56 56 ALA HB3 H 1 1.276 0.004 . . . . . . 56 ALA HB3 . 16273 1 661 . 1 1 56 56 ALA C C 13 174.459 0.014 . . . . . . 56 ALA C . 16273 1 662 . 1 1 56 56 ALA CA C 13 51.391 0.020 . . . . . . 56 ALA CA . 16273 1 663 . 1 1 56 56 ALA CB C 13 24.638 0.038 . . . . . . 56 ALA CB . 16273 1 664 . 1 1 56 56 ALA N N 15 119.482 0.049 . . . . . . 56 ALA N . 16273 1 665 . 1 1 57 57 LEU H H 1 8.952 0.005 . . . . . . 57 LEU H . 16273 1 666 . 1 1 57 57 LEU HA H 1 5.291 0.009 . . . . . . 57 LEU HA . 16273 1 667 . 1 1 57 57 LEU HB2 H 1 1.460 0.005 . . . . . . 57 LEU HB2 . 16273 1 668 . 1 1 57 57 LEU HB3 H 1 1.542 0.004 . . . . . . 57 LEU HB3 . 16273 1 669 . 1 1 57 57 LEU HD11 H 1 0.824 0.002 . . . . . . 57 LEU HD11 . 16273 1 670 . 1 1 57 57 LEU HD12 H 1 0.824 0.002 . . . . . . 57 LEU HD12 . 16273 1 671 . 1 1 57 57 LEU HD13 H 1 0.824 0.002 . . . . . . 57 LEU HD13 . 16273 1 672 . 1 1 57 57 LEU HD21 H 1 0.863 0.001 . . . . . . 57 LEU HD21 . 16273 1 673 . 1 1 57 57 LEU HD22 H 1 0.863 0.001 . . . . . . 57 LEU HD22 . 16273 1 674 . 1 1 57 57 LEU HD23 H 1 0.863 0.001 . . . . . . 57 LEU HD23 . 16273 1 675 . 1 1 57 57 LEU HG H 1 1.490 0.004 . . . . . . 57 LEU HG . 16273 1 676 . 1 1 57 57 LEU C C 13 174.809 0.013 . . . . . . 57 LEU C . 16273 1 677 . 1 1 57 57 LEU CA C 13 53.148 0.049 . . . . . . 57 LEU CA . 16273 1 678 . 1 1 57 57 LEU CB C 13 43.632 0.053 . . . . . . 57 LEU CB . 16273 1 679 . 1 1 57 57 LEU CD1 C 13 25.240 0.000 . . . . . . 57 LEU CD1 . 16273 1 680 . 1 1 57 57 LEU CD2 C 13 25.778 0.110 . . . . . . 57 LEU CD2 . 16273 1 681 . 1 1 57 57 LEU CG C 13 26.996 0.000 . . . . . . 57 LEU CG . 16273 1 682 . 1 1 57 57 LEU N N 15 121.489 0.041 . . . . . . 57 LEU N . 16273 1 683 . 1 1 58 58 PHE H H 1 9.804 0.008 . . . . . . 58 PHE H . 16273 1 684 . 1 1 58 58 PHE HA H 1 4.775 0.003 . . . . . . 58 PHE HA . 16273 1 685 . 1 1 58 58 PHE HB2 H 1 3.159 0.010 . . . . . . 58 PHE HB2 . 16273 1 686 . 1 1 58 58 PHE HB3 H 1 2.763 0.011 . . . . . . 58 PHE HB3 . 16273 1 687 . 1 1 58 58 PHE HD1 H 1 7.145 0.006 . . . . . . 58 PHE HD1 . 16273 1 688 . 1 1 58 58 PHE HD2 H 1 7.145 0.006 . . . . . . 58 PHE HD2 . 16273 1 689 . 1 1 58 58 PHE HE1 H 1 6.472 0.007 . . . . . . 58 PHE HE1 . 16273 1 690 . 1 1 58 58 PHE HE2 H 1 6.472 0.007 . . . . . . 58 PHE HE2 . 16273 1 691 . 1 1 58 58 PHE HZ H 1 6.498 0.008 . . . . . . 58 PHE HZ . 16273 1 692 . 1 1 58 58 PHE C C 13 173.830 0.012 . . . . . . 58 PHE C . 16273 1 693 . 1 1 58 58 PHE CA C 13 55.832 0.065 . . . . . . 58 PHE CA . 16273 1 694 . 1 1 58 58 PHE CB C 13 40.147 0.088 . . . . . . 58 PHE CB . 16273 1 695 . 1 1 58 58 PHE CD1 C 13 130.480 0.068 . . . . . . 58 PHE CD1 . 16273 1 696 . 1 1 58 58 PHE CD2 C 13 130.445 0.000 . . . . . . 58 PHE CD2 . 16273 1 697 . 1 1 58 58 PHE CE1 C 13 130.441 0.022 . . . . . . 58 PHE CE1 . 16273 1 698 . 1 1 58 58 PHE CE2 C 13 130.371 0.000 . . . . . . 58 PHE CE2 . 16273 1 699 . 1 1 58 58 PHE CZ C 13 128.215 0.023 . . . . . . 58 PHE CZ . 16273 1 700 . 1 1 58 58 PHE N N 15 129.519 0.067 . . . . . . 58 PHE N . 16273 1 701 . 1 1 59 59 LEU H H 1 8.831 0.008 . . . . . . 59 LEU H . 16273 1 702 . 1 1 59 59 LEU HA H 1 5.448 0.015 . . . . . . 59 LEU HA . 16273 1 703 . 1 1 59 59 LEU HB2 H 1 1.354 0.052 . . . . . . 59 LEU HB2 . 16273 1 704 . 1 1 59 59 LEU HB3 H 1 2.037 0.019 . . . . . . 59 LEU HB3 . 16273 1 705 . 1 1 59 59 LEU HD11 H 1 0.850 0.003 . . . . . . 59 LEU HD11 . 16273 1 706 . 1 1 59 59 LEU HD12 H 1 0.850 0.003 . . . . . . 59 LEU HD12 . 16273 1 707 . 1 1 59 59 LEU HD13 H 1 0.850 0.003 . . . . . . 59 LEU HD13 . 16273 1 708 . 1 1 59 59 LEU HD21 H 1 0.806 0.002 . . . . . . 59 LEU HD21 . 16273 1 709 . 1 1 59 59 LEU HD22 H 1 0.806 0.002 . . . . . . 59 LEU HD22 . 16273 1 710 . 1 1 59 59 LEU HD23 H 1 0.806 0.002 . . . . . . 59 LEU HD23 . 16273 1 711 . 1 1 59 59 LEU HG H 1 1.628 0.008 . . . . . . 59 LEU HG . 16273 1 712 . 1 1 59 59 LEU C C 13 175.921 0.053 . . . . . . 59 LEU C . 16273 1 713 . 1 1 59 59 LEU CA C 13 53.836 0.091 . . . . . . 59 LEU CA . 16273 1 714 . 1 1 59 59 LEU CB C 13 43.466 0.080 . . . . . . 59 LEU CB . 16273 1 715 . 1 1 59 59 LEU CD1 C 13 26.351 0.011 . . . . . . 59 LEU CD1 . 16273 1 716 . 1 1 59 59 LEU CD2 C 13 25.319 0.034 . . . . . . 59 LEU CD2 . 16273 1 717 . 1 1 59 59 LEU CG C 13 28.710 0.048 . . . . . . 59 LEU CG . 16273 1 718 . 1 1 59 59 LEU N N 15 122.821 0.046 . . . . . . 59 LEU N . 16273 1 719 . 1 1 60 60 TYR H H 1 9.612 0.009 . . . . . . 60 TYR H . 16273 1 720 . 1 1 60 60 TYR HA H 1 5.361 0.005 . . . . . . 60 TYR HA . 16273 1 721 . 1 1 60 60 TYR HB2 H 1 3.126 0.010 . . . . . . 60 TYR HB2 . 16273 1 722 . 1 1 60 60 TYR HB3 H 1 2.716 0.005 . . . . . . 60 TYR HB3 . 16273 1 723 . 1 1 60 60 TYR HD1 H 1 6.826 0.006 . . . . . . 60 TYR HD1 . 16273 1 724 . 1 1 60 60 TYR HD2 H 1 6.826 0.006 . . . . . . 60 TYR HD2 . 16273 1 725 . 1 1 60 60 TYR HE1 H 1 6.664 0.010 . . . . . . 60 TYR HE1 . 16273 1 726 . 1 1 60 60 TYR HE2 H 1 6.664 0.010 . . . . . . 60 TYR HE2 . 16273 1 727 . 1 1 60 60 TYR C C 13 178.376 0.144 . . . . . . 60 TYR C . 16273 1 728 . 1 1 60 60 TYR CA C 13 57.388 0.065 . . . . . . 60 TYR CA . 16273 1 729 . 1 1 60 60 TYR CB C 13 41.341 0.071 . . . . . . 60 TYR CB . 16273 1 730 . 1 1 60 60 TYR CD1 C 13 132.610 0.085 . . . . . . 60 TYR CD1 . 16273 1 731 . 1 1 60 60 TYR CE1 C 13 119.599 0.012 . . . . . . 60 TYR CE1 . 16273 1 732 . 1 1 60 60 TYR CE2 C 13 119.600 0.000 . . . . . . 60 TYR CE2 . 16273 1 733 . 1 1 60 60 TYR N N 15 121.296 0.049 . . . . . . 60 TYR N . 16273 1 734 . 1 1 61 61 THR H H 1 9.248 0.005 . . . . . . 61 THR H . 16273 1 735 . 1 1 61 61 THR HA H 1 4.720 0.004 . . . . . . 61 THR HA . 16273 1 736 . 1 1 61 61 THR HB H 1 4.332 0.012 . . . . . . 61 THR HB . 16273 1 737 . 1 1 61 61 THR HG21 H 1 1.179 0.009 . . . . . . 61 THR HG21 . 16273 1 738 . 1 1 61 61 THR HG22 H 1 1.179 0.009 . . . . . . 61 THR HG22 . 16273 1 739 . 1 1 61 61 THR HG23 H 1 1.179 0.009 . . . . . . 61 THR HG23 . 16273 1 740 . 1 1 61 61 THR C C 13 174.072 0.034 . . . . . . 61 THR C . 16273 1 741 . 1 1 61 61 THR CA C 13 61.328 0.126 . . . . . . 61 THR CA . 16273 1 742 . 1 1 61 61 THR CB C 13 70.234 0.035 . . . . . . 61 THR CB . 16273 1 743 . 1 1 61 61 THR CG2 C 13 21.386 0.078 . . . . . . 61 THR CG2 . 16273 1 744 . 1 1 61 61 THR N N 15 112.924 0.056 . . . . . . 61 THR N . 16273 1 745 . 1 1 62 62 HIS H H 1 8.503 0.005 . . . . . . 62 HIS H . 16273 1 746 . 1 1 62 62 HIS HA H 1 5.360 0.014 . . . . . . 62 HIS HA . 16273 1 747 . 1 1 62 62 HIS HB2 H 1 2.971 0.004 . . . . . . 62 HIS HB2 . 16273 1 748 . 1 1 62 62 HIS HB3 H 1 3.059 0.006 . . . . . . 62 HIS HB3 . 16273 1 749 . 1 1 62 62 HIS HD2 H 1 6.683 0.007 . . . . . . 62 HIS HD2 . 16273 1 750 . 1 1 62 62 HIS HE1 H 1 7.643 0.005 . . . . . . 62 HIS HE1 . 16273 1 751 . 1 1 62 62 HIS C C 13 174.431 0.000 . . . . . . 62 HIS C . 16273 1 752 . 1 1 62 62 HIS CA C 13 55.004 0.032 . . . . . . 62 HIS CA . 16273 1 753 . 1 1 62 62 HIS CB C 13 31.735 0.094 . . . . . . 62 HIS CB . 16273 1 754 . 1 1 62 62 HIS CD2 C 13 123.974 0.067 . . . . . . 62 HIS CD2 . 16273 1 755 . 1 1 62 62 HIS CE1 C 13 113.451 0.000 . . . . . . 62 HIS CE1 . 16273 1 756 . 1 1 62 62 HIS N N 15 116.940 0.107 . . . . . . 62 HIS N . 16273 1 757 . 1 1 63 63 ARG H H 1 8.527 0.006 . . . . . . 63 ARG H . 16273 1 758 . 1 1 63 63 ARG HA H 1 4.355 0.000 . . . . . . 63 ARG HA . 16273 1 759 . 1 1 63 63 ARG HB2 H 1 1.903 0.000 . . . . . . 63 ARG HB2 . 16273 1 760 . 1 1 63 63 ARG HB3 H 1 1.903 0.000 . . . . . . 63 ARG HB3 . 16273 1 761 . 1 1 63 63 ARG HD2 H 1 3.183 0.005 . . . . . . 63 ARG HD2 . 16273 1 762 . 1 1 63 63 ARG HD3 H 1 3.183 0.005 . . . . . . 63 ARG HD3 . 16273 1 763 . 1 1 63 63 ARG HG2 H 1 1.610 0.000 . . . . . . 63 ARG HG2 . 16273 1 764 . 1 1 63 63 ARG HG3 H 1 1.610 0.000 . . . . . . 63 ARG HG3 . 16273 1 765 . 1 1 63 63 ARG C C 13 175.690 0.002 . . . . . . 63 ARG C . 16273 1 766 . 1 1 63 63 ARG CA C 13 55.807 0.000 . . . . . . 63 ARG CA . 16273 1 767 . 1 1 63 63 ARG CB C 13 31.910 0.000 . . . . . . 63 ARG CB . 16273 1 768 . 1 1 63 63 ARG CD C 13 43.330 0.000 . . . . . . 63 ARG CD . 16273 1 769 . 1 1 63 63 ARG N N 15 121.661 0.048 . . . . . . 63 ARG N . 16273 1 770 . 1 1 64 64 ARG H H 1 8.550 0.007 . . . . . . 64 ARG H . 16273 1 771 . 1 1 64 64 ARG HA H 1 4.196 0.006 . . . . . . 64 ARG HA . 16273 1 772 . 1 1 64 64 ARG HB2 H 1 1.844 0.002 . . . . . . 64 ARG HB2 . 16273 1 773 . 1 1 64 64 ARG HB3 H 1 1.844 0.002 . . . . . . 64 ARG HB3 . 16273 1 774 . 1 1 64 64 ARG HD2 H 1 3.180 0.004 . . . . . . 64 ARG HD2 . 16273 1 775 . 1 1 64 64 ARG HD3 H 1 3.180 0.004 . . . . . . 64 ARG HD3 . 16273 1 776 . 1 1 64 64 ARG HG2 H 1 1.562 0.000 . . . . . . 64 ARG HG2 . 16273 1 777 . 1 1 64 64 ARG HG3 H 1 1.562 0.000 . . . . . . 64 ARG HG3 . 16273 1 778 . 1 1 64 64 ARG C C 13 176.348 0.000 . . . . . . 64 ARG C . 16273 1 779 . 1 1 64 64 ARG CA C 13 57.262 0.124 . . . . . . 64 ARG CA . 16273 1 780 . 1 1 64 64 ARG CB C 13 30.262 0.031 . . . . . . 64 ARG CB . 16273 1 781 . 1 1 64 64 ARG N N 15 120.385 0.028 . . . . . . 64 ARG N . 16273 1 782 . 1 1 65 65 MET H H 1 8.330 0.002 . . . . . . 65 MET H . 16273 1 783 . 1 1 65 65 MET HA H 1 4.434 0.006 . . . . . . 65 MET HA . 16273 1 784 . 1 1 65 65 MET HB2 H 1 2.025 0.005 . . . . . . 65 MET HB2 . 16273 1 785 . 1 1 65 65 MET HB3 H 1 1.907 0.002 . . . . . . 65 MET HB3 . 16273 1 786 . 1 1 65 65 MET HE1 H 1 2.030 0.000 . . . . . . 65 MET HE1 . 16273 1 787 . 1 1 65 65 MET HE2 H 1 2.030 0.000 . . . . . . 65 MET HE2 . 16273 1 788 . 1 1 65 65 MET HE3 H 1 2.030 0.000 . . . . . . 65 MET HE3 . 16273 1 789 . 1 1 65 65 MET HG2 H 1 2.522 0.006 . . . . . . 65 MET HG2 . 16273 1 790 . 1 1 65 65 MET HG3 H 1 2.425 0.012 . . . . . . 65 MET HG3 . 16273 1 791 . 1 1 65 65 MET C C 13 175.226 0.103 . . . . . . 65 MET C . 16273 1 792 . 1 1 65 65 MET CA C 13 55.190 0.031 . . . . . . 65 MET CA . 16273 1 793 . 1 1 65 65 MET CB C 13 32.312 0.051 . . . . . . 65 MET CB . 16273 1 794 . 1 1 65 65 MET CG C 13 32.007 0.047 . . . . . . 65 MET CG . 16273 1 795 . 1 1 65 65 MET N N 15 119.655 0.062 . . . . . . 65 MET N . 16273 1 796 . 1 1 66 66 ALA H H 1 8.238 0.006 . . . . . . 66 ALA H . 16273 1 797 . 1 1 66 66 ALA HA H 1 4.246 0.008 . . . . . . 66 ALA HA . 16273 1 798 . 1 1 66 66 ALA HB1 H 1 1.205 0.008 . . . . . . 66 ALA HB1 . 16273 1 799 . 1 1 66 66 ALA HB2 H 1 1.205 0.008 . . . . . . 66 ALA HB2 . 16273 1 800 . 1 1 66 66 ALA HB3 H 1 1.205 0.008 . . . . . . 66 ALA HB3 . 16273 1 801 . 1 1 66 66 ALA C C 13 176.400 0.099 . . . . . . 66 ALA C . 16273 1 802 . 1 1 66 66 ALA CA C 13 52.394 0.065 . . . . . . 66 ALA CA . 16273 1 803 . 1 1 66 66 ALA CB C 13 18.947 0.041 . . . . . . 66 ALA CB . 16273 1 804 . 1 1 66 66 ALA N N 15 124.668 0.108 . . . . . . 66 ALA N . 16273 1 805 . 1 1 67 67 ILE H H 1 8.673 0.034 . . . . . . 67 ILE H . 16273 1 806 . 1 1 67 67 ILE HA H 1 4.134 0.008 . . . . . . 67 ILE HA . 16273 1 807 . 1 1 67 67 ILE HB H 1 1.932 0.007 . . . . . . 67 ILE HB . 16273 1 808 . 1 1 67 67 ILE HD11 H 1 0.777 0.004 . . . . . . 67 ILE HD11 . 16273 1 809 . 1 1 67 67 ILE HD12 H 1 0.777 0.004 . . . . . . 67 ILE HD12 . 16273 1 810 . 1 1 67 67 ILE HD13 H 1 0.777 0.004 . . . . . . 67 ILE HD13 . 16273 1 811 . 1 1 67 67 ILE HG12 H 1 1.407 0.006 . . . . . . 67 ILE HG12 . 16273 1 812 . 1 1 67 67 ILE HG13 H 1 1.118 0.013 . . . . . . 67 ILE HG13 . 16273 1 813 . 1 1 67 67 ILE HG21 H 1 0.861 0.004 . . . . . . 67 ILE HG21 . 16273 1 814 . 1 1 67 67 ILE HG22 H 1 0.861 0.004 . . . . . . 67 ILE HG22 . 16273 1 815 . 1 1 67 67 ILE HG23 H 1 0.861 0.004 . . . . . . 67 ILE HG23 . 16273 1 816 . 1 1 67 67 ILE C C 13 176.236 0.023 . . . . . . 67 ILE C . 16273 1 817 . 1 1 67 67 ILE CA C 13 62.214 0.015 . . . . . . 67 ILE CA . 16273 1 818 . 1 1 67 67 ILE CB C 13 39.332 0.117 . . . . . . 67 ILE CB . 16273 1 819 . 1 1 67 67 ILE CD1 C 13 12.646 0.057 . . . . . . 67 ILE CD1 . 16273 1 820 . 1 1 67 67 ILE CG1 C 13 27.460 0.000 . . . . . . 67 ILE CG1 . 16273 1 821 . 1 1 67 67 ILE CG2 C 13 17.768 0.039 . . . . . . 67 ILE CG2 . 16273 1 822 . 1 1 67 67 ILE N N 15 119.457 0.168 . . . . . . 67 ILE N . 16273 1 823 . 1 1 68 68 THR H H 1 8.044 0.015 . . . . . . 68 THR H . 16273 1 824 . 1 1 68 68 THR HA H 1 4.547 0.009 . . . . . . 68 THR HA . 16273 1 825 . 1 1 68 68 THR HB H 1 4.461 0.010 . . . . . . 68 THR HB . 16273 1 826 . 1 1 68 68 THR HG21 H 1 1.172 0.003 . . . . . . 68 THR HG21 . 16273 1 827 . 1 1 68 68 THR HG22 H 1 1.172 0.003 . . . . . . 68 THR HG22 . 16273 1 828 . 1 1 68 68 THR HG23 H 1 1.172 0.003 . . . . . . 68 THR HG23 . 16273 1 829 . 1 1 68 68 THR C C 13 175.373 0.025 . . . . . . 68 THR C . 16273 1 830 . 1 1 68 68 THR CA C 13 60.153 0.056 . . . . . . 68 THR CA . 16273 1 831 . 1 1 68 68 THR CB C 13 71.538 0.008 . . . . . . 68 THR CB . 16273 1 832 . 1 1 68 68 THR CG2 C 13 21.641 0.028 . . . . . . 68 THR CG2 . 16273 1 833 . 1 1 68 68 THR N N 15 111.870 0.037 . . . . . . 68 THR N . 16273 1 834 . 1 1 69 69 GLY H H 1 8.855 0.034 . . . . . . 69 GLY H . 16273 1 835 . 1 1 69 69 GLY HA2 H 1 3.912 0.008 . . . . . . 69 GLY HA2 . 16273 1 836 . 1 1 69 69 GLY HA3 H 1 3.840 0.006 . . . . . . 69 GLY HA3 . 16273 1 837 . 1 1 69 69 GLY C C 13 174.092 0.010 . . . . . . 69 GLY C . 16273 1 838 . 1 1 69 69 GLY CA C 13 46.663 0.056 . . . . . . 69 GLY CA . 16273 1 839 . 1 1 69 69 GLY N N 15 109.861 0.071 . . . . . . 69 GLY N . 16273 1 840 . 1 1 70 70 ASP H H 1 7.919 0.008 . . . . . . 70 ASP H . 16273 1 841 . 1 1 70 70 ASP HA H 1 4.639 0.001 . . . . . . 70 ASP HA . 16273 1 842 . 1 1 70 70 ASP HB2 H 1 2.596 0.009 . . . . . . 70 ASP HB2 . 16273 1 843 . 1 1 70 70 ASP HB3 H 1 2.431 0.012 . . . . . . 70 ASP HB3 . 16273 1 844 . 1 1 70 70 ASP C C 13 176.274 0.000 . . . . . . 70 ASP C . 16273 1 845 . 1 1 70 70 ASP CA C 13 55.076 0.054 . . . . . . 70 ASP CA . 16273 1 846 . 1 1 70 70 ASP CB C 13 41.532 0.077 . . . . . . 70 ASP CB . 16273 1 847 . 1 1 70 70 ASP N N 15 118.090 0.111 . . . . . . 70 ASP N . 16273 1 848 . 1 1 71 71 ASP H H 1 8.189 0.005 . . . . . . 71 ASP H . 16273 1 849 . 1 1 71 71 ASP HA H 1 4.662 0.007 . . . . . . 71 ASP HA . 16273 1 850 . 1 1 71 71 ASP HB2 H 1 2.976 0.011 . . . . . . 71 ASP HB2 . 16273 1 851 . 1 1 71 71 ASP HB3 H 1 2.776 0.017 . . . . . . 71 ASP HB3 . 16273 1 852 . 1 1 71 71 ASP C C 13 175.224 0.061 . . . . . . 71 ASP C . 16273 1 853 . 1 1 71 71 ASP CA C 13 54.739 0.035 . . . . . . 71 ASP CA . 16273 1 854 . 1 1 71 71 ASP CB C 13 43.280 0.117 . . . . . . 71 ASP CB . 16273 1 855 . 1 1 71 71 ASP N N 15 118.584 0.102 . . . . . . 71 ASP N . 16273 1 856 . 1 1 72 72 VAL H H 1 7.623 0.010 . . . . . . 72 VAL H . 16273 1 857 . 1 1 72 72 VAL HA H 1 5.267 0.014 . . . . . . 72 VAL HA . 16273 1 858 . 1 1 72 72 VAL HB H 1 2.084 0.012 . . . . . . 72 VAL HB . 16273 1 859 . 1 1 72 72 VAL HG11 H 1 0.582 0.007 . . . . . . 72 VAL HG11 . 16273 1 860 . 1 1 72 72 VAL HG12 H 1 0.582 0.007 . . . . . . 72 VAL HG12 . 16273 1 861 . 1 1 72 72 VAL HG13 H 1 0.582 0.007 . . . . . . 72 VAL HG13 . 16273 1 862 . 1 1 72 72 VAL HG21 H 1 0.546 0.008 . . . . . . 72 VAL HG21 . 16273 1 863 . 1 1 72 72 VAL HG22 H 1 0.546 0.008 . . . . . . 72 VAL HG22 . 16273 1 864 . 1 1 72 72 VAL HG23 H 1 0.546 0.008 . . . . . . 72 VAL HG23 . 16273 1 865 . 1 1 72 72 VAL C C 13 175.013 0.032 . . . . . . 72 VAL C . 16273 1 866 . 1 1 72 72 VAL CA C 13 59.149 0.045 . . . . . . 72 VAL CA . 16273 1 867 . 1 1 72 72 VAL CB C 13 34.731 0.035 . . . . . . 72 VAL CB . 16273 1 868 . 1 1 72 72 VAL CG1 C 13 19.319 0.049 . . . . . . 72 VAL CG1 . 16273 1 869 . 1 1 72 72 VAL CG2 C 13 22.118 0.054 . . . . . . 72 VAL CG2 . 16273 1 870 . 1 1 72 72 VAL N N 15 112.588 0.136 . . . . . . 72 VAL N . 16273 1 871 . 1 1 73 73 SER H H 1 8.525 0.006 . . . . . . 73 SER H . 16273 1 872 . 1 1 73 73 SER HA H 1 4.859 0.010 . . . . . . 73 SER HA . 16273 1 873 . 1 1 73 73 SER HB2 H 1 3.724 0.010 . . . . . . 73 SER HB2 . 16273 1 874 . 1 1 73 73 SER HB3 H 1 3.585 0.006 . . . . . . 73 SER HB3 . 16273 1 875 . 1 1 73 73 SER C C 13 173.425 0.065 . . . . . . 73 SER C . 16273 1 876 . 1 1 73 73 SER CA C 13 57.063 0.050 . . . . . . 73 SER CA . 16273 1 877 . 1 1 73 73 SER CB C 13 64.873 0.051 . . . . . . 73 SER CB . 16273 1 878 . 1 1 73 73 SER N N 15 115.356 0.113 . . . . . . 73 SER N . 16273 1 879 . 1 1 74 74 LEU H H 1 9.004 0.004 . . . . . . 74 LEU H . 16273 1 880 . 1 1 74 74 LEU HA H 1 3.440 0.010 . . . . . . 74 LEU HA . 16273 1 881 . 1 1 74 74 LEU HB2 H 1 1.819 0.008 . . . . . . 74 LEU HB2 . 16273 1 882 . 1 1 74 74 LEU HB3 H 1 1.178 0.005 . . . . . . 74 LEU HB3 . 16273 1 883 . 1 1 74 74 LEU HD11 H 1 0.062 0.007 . . . . . . 74 LEU HD11 . 16273 1 884 . 1 1 74 74 LEU HD12 H 1 0.062 0.007 . . . . . . 74 LEU HD12 . 16273 1 885 . 1 1 74 74 LEU HD13 H 1 0.062 0.007 . . . . . . 74 LEU HD13 . 16273 1 886 . 1 1 74 74 LEU HD21 H 1 0.449 0.005 . . . . . . 74 LEU HD21 . 16273 1 887 . 1 1 74 74 LEU HD22 H 1 0.449 0.005 . . . . . . 74 LEU HD22 . 16273 1 888 . 1 1 74 74 LEU HD23 H 1 0.449 0.005 . . . . . . 74 LEU HD23 . 16273 1 889 . 1 1 74 74 LEU HG H 1 1.074 0.013 . . . . . . 74 LEU HG . 16273 1 890 . 1 1 74 74 LEU C C 13 174.624 0.101 . . . . . . 74 LEU C . 16273 1 891 . 1 1 74 74 LEU CA C 13 56.697 0.136 . . . . . . 74 LEU CA . 16273 1 892 . 1 1 74 74 LEU CB C 13 41.379 0.051 . . . . . . 74 LEU CB . 16273 1 893 . 1 1 74 74 LEU CD1 C 13 22.451 0.030 . . . . . . 74 LEU CD1 . 16273 1 894 . 1 1 74 74 LEU CD2 C 13 26.178 0.039 . . . . . . 74 LEU CD2 . 16273 1 895 . 1 1 74 74 LEU CG C 13 26.582 0.026 . . . . . . 74 LEU CG . 16273 1 896 . 1 1 74 74 LEU N N 15 130.251 0.110 . . . . . . 74 LEU N . 16273 1 897 . 1 1 75 75 ASP H H 1 9.331 0.019 . . . . . . 75 ASP H . 16273 1 898 . 1 1 75 75 ASP HA H 1 4.784 0.001 . . . . . . 75 ASP HA . 16273 1 899 . 1 1 75 75 ASP HB2 H 1 2.412 0.008 . . . . . . 75 ASP HB2 . 16273 1 900 . 1 1 75 75 ASP HB3 H 1 2.537 0.008 . . . . . . 75 ASP HB3 . 16273 1 901 . 1 1 75 75 ASP C C 13 174.886 0.008 . . . . . . 75 ASP C . 16273 1 902 . 1 1 75 75 ASP CA C 13 55.897 0.038 . . . . . . 75 ASP CA . 16273 1 903 . 1 1 75 75 ASP CB C 13 45.705 0.069 . . . . . . 75 ASP CB . 16273 1 904 . 1 1 75 75 ASP N N 15 129.877 0.058 . . . . . . 75 ASP N . 16273 1 905 . 1 1 76 76 GLN H H 1 7.607 0.006 . . . . . . 76 GLN H . 16273 1 906 . 1 1 76 76 GLN HA H 1 4.450 0.009 . . . . . . 76 GLN HA . 16273 1 907 . 1 1 76 76 GLN HB2 H 1 1.805 0.009 . . . . . . 76 GLN HB2 . 16273 1 908 . 1 1 76 76 GLN HB3 H 1 1.622 0.015 . . . . . . 76 GLN HB3 . 16273 1 909 . 1 1 76 76 GLN HE21 H 1 7.513 0.006 . . . . . . 76 GLN HE21 . 16273 1 910 . 1 1 76 76 GLN HE22 H 1 6.064 0.004 . . . . . . 76 GLN HE22 . 16273 1 911 . 1 1 76 76 GLN HG2 H 1 2.009 0.006 . . . . . . 76 GLN HG2 . 16273 1 912 . 1 1 76 76 GLN HG3 H 1 2.203 0.008 . . . . . . 76 GLN HG3 . 16273 1 913 . 1 1 76 76 GLN C C 13 177.324 0.000 . . . . . . 76 GLN C . 16273 1 914 . 1 1 76 76 GLN CA C 13 55.316 0.063 . . . . . . 76 GLN CA . 16273 1 915 . 1 1 76 76 GLN CB C 13 32.661 0.045 . . . . . . 76 GLN CB . 16273 1 916 . 1 1 76 76 GLN CG C 13 33.298 0.050 . . . . . . 76 GLN CG . 16273 1 917 . 1 1 76 76 GLN N N 15 114.511 0.037 . . . . . . 76 GLN N . 16273 1 918 . 1 1 76 76 GLN NE2 N 15 108.179 0.044 . . . . . . 76 GLN NE2 . 16273 1 919 . 1 1 77 77 ILE H H 1 8.395 0.007 . . . . . . 77 ILE H . 16273 1 920 . 1 1 77 77 ILE HA H 1 4.440 0.006 . . . . . . 77 ILE HA . 16273 1 921 . 1 1 77 77 ILE HB H 1 1.107 0.006 . . . . . . 77 ILE HB . 16273 1 922 . 1 1 77 77 ILE HD11 H 1 0.006 0.008 . . . . . . 77 ILE HD11 . 16273 1 923 . 1 1 77 77 ILE HD12 H 1 0.006 0.008 . . . . . . 77 ILE HD12 . 16273 1 924 . 1 1 77 77 ILE HD13 H 1 0.006 0.008 . . . . . . 77 ILE HD13 . 16273 1 925 . 1 1 77 77 ILE HG12 H 1 -0.493 0.008 . . . . . . 77 ILE HG12 . 16273 1 926 . 1 1 77 77 ILE HG13 H 1 0.839 0.011 . . . . . . 77 ILE HG13 . 16273 1 927 . 1 1 77 77 ILE HG21 H 1 0.219 0.004 . . . . . . 77 ILE HG21 . 16273 1 928 . 1 1 77 77 ILE HG22 H 1 0.219 0.004 . . . . . . 77 ILE HG22 . 16273 1 929 . 1 1 77 77 ILE HG23 H 1 0.219 0.004 . . . . . . 77 ILE HG23 . 16273 1 930 . 1 1 77 77 ILE C C 13 175.281 0.004 . . . . . . 77 ILE C . 16273 1 931 . 1 1 77 77 ILE CA C 13 60.363 0.097 . . . . . . 77 ILE CA . 16273 1 932 . 1 1 77 77 ILE CB C 13 40.946 0.061 . . . . . . 77 ILE CB . 16273 1 933 . 1 1 77 77 ILE CD1 C 13 14.008 0.070 . . . . . . 77 ILE CD1 . 16273 1 934 . 1 1 77 77 ILE CG1 C 13 26.863 0.026 . . . . . . 77 ILE CG1 . 16273 1 935 . 1 1 77 77 ILE CG2 C 13 19.024 0.047 . . . . . . 77 ILE CG2 . 16273 1 936 . 1 1 77 77 ILE N N 15 122.648 0.079 . . . . . . 77 ILE N . 16273 1 937 . 1 1 78 78 VAL H H 1 9.404 0.008 . . . . . . 78 VAL H . 16273 1 938 . 1 1 78 78 VAL HA H 1 4.488 0.008 . . . . . . 78 VAL HA . 16273 1 939 . 1 1 78 78 VAL HB H 1 2.182 0.006 . . . . . . 78 VAL HB . 16273 1 940 . 1 1 78 78 VAL HG11 H 1 1.032 0.002 . . . . . . 78 VAL HG11 . 16273 1 941 . 1 1 78 78 VAL HG12 H 1 1.032 0.002 . . . . . . 78 VAL HG12 . 16273 1 942 . 1 1 78 78 VAL HG13 H 1 1.032 0.002 . . . . . . 78 VAL HG13 . 16273 1 943 . 1 1 78 78 VAL HG21 H 1 0.780 0.003 . . . . . . 78 VAL HG21 . 16273 1 944 . 1 1 78 78 VAL HG22 H 1 0.780 0.003 . . . . . . 78 VAL HG22 . 16273 1 945 . 1 1 78 78 VAL HG23 H 1 0.780 0.003 . . . . . . 78 VAL HG23 . 16273 1 946 . 1 1 78 78 VAL CA C 13 59.001 0.066 . . . . . . 78 VAL CA . 16273 1 947 . 1 1 78 78 VAL CB C 13 33.609 0.073 . . . . . . 78 VAL CB . 16273 1 948 . 1 1 78 78 VAL CG1 C 13 21.753 0.028 . . . . . . 78 VAL CG1 . 16273 1 949 . 1 1 78 78 VAL CG2 C 13 19.863 0.049 . . . . . . 78 VAL CG2 . 16273 1 950 . 1 1 78 78 VAL N N 15 128.245 0.041 . . . . . . 78 VAL N . 16273 1 951 . 1 1 79 79 PRO HA H 1 3.696 0.007 . . . . . . 79 PRO HA . 16273 1 952 . 1 1 79 79 PRO HB2 H 1 0.195 0.004 . . . . . . 79 PRO HB2 . 16273 1 953 . 1 1 79 79 PRO HB3 H 1 0.951 0.006 . . . . . . 79 PRO HB3 . 16273 1 954 . 1 1 79 79 PRO HD2 H 1 3.630 0.008 . . . . . . 79 PRO HD2 . 16273 1 955 . 1 1 79 79 PRO HD3 H 1 3.562 0.002 . . . . . . 79 PRO HD3 . 16273 1 956 . 1 1 79 79 PRO HG2 H 1 1.706 0.014 . . . . . . 79 PRO HG2 . 16273 1 957 . 1 1 79 79 PRO HG3 H 1 1.099 0.007 . . . . . . 79 PRO HG3 . 16273 1 958 . 1 1 79 79 PRO C C 13 176.125 0.000 . . . . . . 79 PRO C . 16273 1 959 . 1 1 79 79 PRO CA C 13 62.916 0.075 . . . . . . 79 PRO CA . 16273 1 960 . 1 1 79 79 PRO CB C 13 30.794 0.029 . . . . . . 79 PRO CB . 16273 1 961 . 1 1 79 79 PRO CD C 13 51.400 0.000 . . . . . . 79 PRO CD . 16273 1 962 . 1 1 79 79 PRO CG C 13 27.250 0.000 . . . . . . 79 PRO CG . 16273 1 963 . 1 1 80 80 LEU H H 1 8.266 0.005 . . . . . . 80 LEU H . 16273 1 964 . 1 1 80 80 LEU HA H 1 4.218 0.009 . . . . . . 80 LEU HA . 16273 1 965 . 1 1 80 80 LEU HB2 H 1 1.451 0.008 . . . . . . 80 LEU HB2 . 16273 1 966 . 1 1 80 80 LEU HB3 H 1 1.654 0.008 . . . . . . 80 LEU HB3 . 16273 1 967 . 1 1 80 80 LEU HD11 H 1 0.164 0.004 . . . . . . 80 LEU HD11 . 16273 1 968 . 1 1 80 80 LEU HD12 H 1 0.164 0.004 . . . . . . 80 LEU HD12 . 16273 1 969 . 1 1 80 80 LEU HD13 H 1 0.164 0.004 . . . . . . 80 LEU HD13 . 16273 1 970 . 1 1 80 80 LEU HD21 H 1 0.280 0.006 . . . . . . 80 LEU HD21 . 16273 1 971 . 1 1 80 80 LEU HD22 H 1 0.280 0.006 . . . . . . 80 LEU HD22 . 16273 1 972 . 1 1 80 80 LEU HD23 H 1 0.280 0.006 . . . . . . 80 LEU HD23 . 16273 1 973 . 1 1 80 80 LEU HG H 1 0.362 0.006 . . . . . . 80 LEU HG . 16273 1 974 . 1 1 80 80 LEU C C 13 175.299 0.010 . . . . . . 80 LEU C . 16273 1 975 . 1 1 80 80 LEU CA C 13 55.676 0.147 . . . . . . 80 LEU CA . 16273 1 976 . 1 1 80 80 LEU CB C 13 37.718 0.035 . . . . . . 80 LEU CB . 16273 1 977 . 1 1 80 80 LEU CD1 C 13 25.901 0.029 . . . . . . 80 LEU CD1 . 16273 1 978 . 1 1 80 80 LEU CD2 C 13 25.547 0.064 . . . . . . 80 LEU CD2 . 16273 1 979 . 1 1 80 80 LEU CG C 13 29.124 0.088 . . . . . . 80 LEU CG . 16273 1 980 . 1 1 80 80 LEU N N 15 125.810 0.052 . . . . . . 80 LEU N . 16273 1 981 . 1 1 81 81 SER H H 1 7.307 0.007 . . . . . . 81 SER H . 16273 1 982 . 1 1 81 81 SER HA H 1 4.700 0.000 . . . . . . 81 SER HA . 16273 1 983 . 1 1 81 81 SER HB2 H 1 3.917 0.011 . . . . . . 81 SER HB2 . 16273 1 984 . 1 1 81 81 SER HB3 H 1 3.917 0.011 . . . . . . 81 SER HB3 . 16273 1 985 . 1 1 81 81 SER C C 13 176.099 0.008 . . . . . . 81 SER C . 16273 1 986 . 1 1 81 81 SER CA C 13 56.959 0.028 . . . . . . 81 SER CA . 16273 1 987 . 1 1 81 81 SER CB C 13 65.166 0.089 . . . . . . 81 SER CB . 16273 1 988 . 1 1 81 81 SER N N 15 115.427 0.040 . . . . . . 81 SER N . 16273 1 989 . 1 1 82 82 LYS H H 1 9.660 0.010 . . . . . . 82 LYS H . 16273 1 990 . 1 1 82 82 LYS HA H 1 4.060 0.006 . . . . . . 82 LYS HA . 16273 1 991 . 1 1 82 82 LYS HB2 H 1 1.887 0.003 . . . . . . 82 LYS HB2 . 16273 1 992 . 1 1 82 82 LYS HB3 H 1 1.887 0.003 . . . . . . 82 LYS HB3 . 16273 1 993 . 1 1 82 82 LYS HD2 H 1 1.622 0.001 . . . . . . 82 LYS HD2 . 16273 1 994 . 1 1 82 82 LYS HD3 H 1 1.622 0.001 . . . . . . 82 LYS HD3 . 16273 1 995 . 1 1 82 82 LYS HG2 H 1 1.446 0.004 . . . . . . 82 LYS HG2 . 16273 1 996 . 1 1 82 82 LYS HG3 H 1 1.446 0.004 . . . . . . 82 LYS HG3 . 16273 1 997 . 1 1 82 82 LYS C C 13 175.855 0.012 . . . . . . 82 LYS C . 16273 1 998 . 1 1 82 82 LYS CA C 13 60.553 0.042 . . . . . . 82 LYS CA . 16273 1 999 . 1 1 82 82 LYS CB C 13 32.201 0.037 . . . . . . 82 LYS CB . 16273 1 1000 . 1 1 82 82 LYS N N 15 119.367 0.045 . . . . . . 82 LYS N . 16273 1 1001 . 1 1 83 83 ASP H H 1 8.738 0.010 . . . . . . 83 ASP H . 16273 1 1002 . 1 1 83 83 ASP HA H 1 4.568 0.006 . . . . . . 83 ASP HA . 16273 1 1003 . 1 1 83 83 ASP HB2 H 1 2.748 0.010 . . . . . . 83 ASP HB2 . 16273 1 1004 . 1 1 83 83 ASP HB3 H 1 2.634 0.020 . . . . . . 83 ASP HB3 . 16273 1 1005 . 1 1 83 83 ASP C C 13 174.483 0.007 . . . . . . 83 ASP C . 16273 1 1006 . 1 1 83 83 ASP CA C 13 53.203 0.013 . . . . . . 83 ASP CA . 16273 1 1007 . 1 1 83 83 ASP CB C 13 40.647 0.038 . . . . . . 83 ASP CB . 16273 1 1008 . 1 1 83 83 ASP N N 15 113.568 0.034 . . . . . . 83 ASP N . 16273 1 1009 . 1 1 84 84 PHE H H 1 7.336 0.005 . . . . . . 84 PHE H . 16273 1 1010 . 1 1 84 84 PHE HA H 1 4.763 0.004 . . . . . . 84 PHE HA . 16273 1 1011 . 1 1 84 84 PHE HB2 H 1 3.099 0.007 . . . . . . 84 PHE HB2 . 16273 1 1012 . 1 1 84 84 PHE HB3 H 1 3.431 0.011 . . . . . . 84 PHE HB3 . 16273 1 1013 . 1 1 84 84 PHE HD1 H 1 7.209 0.007 . . . . . . 84 PHE HD1 . 16273 1 1014 . 1 1 84 84 PHE HD2 H 1 7.209 0.007 . . . . . . 84 PHE HD2 . 16273 1 1015 . 1 1 84 84 PHE HE1 H 1 6.874 0.010 . . . . . . 84 PHE HE1 . 16273 1 1016 . 1 1 84 84 PHE HE2 H 1 6.874 0.010 . . . . . . 84 PHE HE2 . 16273 1 1017 . 1 1 84 84 PHE HZ H 1 6.798 0.007 . . . . . . 84 PHE HZ . 16273 1 1018 . 1 1 84 84 PHE C C 13 174.999 0.002 . . . . . . 84 PHE C . 16273 1 1019 . 1 1 84 84 PHE CA C 13 58.669 0.068 . . . . . . 84 PHE CA . 16273 1 1020 . 1 1 84 84 PHE CB C 13 40.279 0.029 . . . . . . 84 PHE CB . 16273 1 1021 . 1 1 84 84 PHE CD1 C 13 132.984 0.119 . . . . . . 84 PHE CD1 . 16273 1 1022 . 1 1 84 84 PHE CE1 C 13 130.381 0.063 . . . . . . 84 PHE CE1 . 16273 1 1023 . 1 1 84 84 PHE CZ C 13 128.348 0.000 . . . . . . 84 PHE CZ . 16273 1 1024 . 1 1 84 84 PHE N N 15 121.989 0.031 . . . . . . 84 PHE N . 16273 1 1025 . 1 1 85 85 MET H H 1 8.373 0.005 . . . . . . 85 MET H . 16273 1 1026 . 1 1 85 85 MET HA H 1 4.521 0.006 . . . . . . 85 MET HA . 16273 1 1027 . 1 1 85 85 MET HB2 H 1 1.912 0.004 . . . . . . 85 MET HB2 . 16273 1 1028 . 1 1 85 85 MET HB3 H 1 1.912 0.004 . . . . . . 85 MET HB3 . 16273 1 1029 . 1 1 85 85 MET HE1 H 1 2.007 0.000 . . . . . . 85 MET HE1 . 16273 1 1030 . 1 1 85 85 MET HE2 H 1 2.007 0.000 . . . . . . 85 MET HE2 . 16273 1 1031 . 1 1 85 85 MET HE3 H 1 2.007 0.000 . . . . . . 85 MET HE3 . 16273 1 1032 . 1 1 85 85 MET HG2 H 1 2.444 0.007 . . . . . . 85 MET HG2 . 16273 1 1033 . 1 1 85 85 MET HG3 H 1 2.444 0.007 . . . . . . 85 MET HG3 . 16273 1 1034 . 1 1 85 85 MET C C 13 172.608 0.013 . . . . . . 85 MET C . 16273 1 1035 . 1 1 85 85 MET CA C 13 55.068 0.006 . . . . . . 85 MET CA . 16273 1 1036 . 1 1 85 85 MET CB C 13 36.321 0.038 . . . . . . 85 MET CB . 16273 1 1037 . 1 1 85 85 MET CE C 13 17.042 0.035 . . . . . . 85 MET CE . 16273 1 1038 . 1 1 85 85 MET CG C 13 31.847 0.020 . . . . . . 85 MET CG . 16273 1 1039 . 1 1 85 85 MET N N 15 128.282 0.030 . . . . . . 85 MET N . 16273 1 1040 . 1 1 86 86 LEU H H 1 8.404 0.004 . . . . . . 86 LEU H . 16273 1 1041 . 1 1 86 86 LEU HA H 1 5.056 0.009 . . . . . . 86 LEU HA . 16273 1 1042 . 1 1 86 86 LEU HB2 H 1 1.359 0.004 . . . . . . 86 LEU HB2 . 16273 1 1043 . 1 1 86 86 LEU HB3 H 1 1.736 0.002 . . . . . . 86 LEU HB3 . 16273 1 1044 . 1 1 86 86 LEU HD11 H 1 0.793 0.006 . . . . . . 86 LEU HD11 . 16273 1 1045 . 1 1 86 86 LEU HD12 H 1 0.793 0.006 . . . . . . 86 LEU HD12 . 16273 1 1046 . 1 1 86 86 LEU HD13 H 1 0.793 0.006 . . . . . . 86 LEU HD13 . 16273 1 1047 . 1 1 86 86 LEU HD21 H 1 0.806 0.003 . . . . . . 86 LEU HD21 . 16273 1 1048 . 1 1 86 86 LEU HD22 H 1 0.806 0.003 . . . . . . 86 LEU HD22 . 16273 1 1049 . 1 1 86 86 LEU HD23 H 1 0.806 0.003 . . . . . . 86 LEU HD23 . 16273 1 1050 . 1 1 86 86 LEU HG H 1 1.406 0.004 . . . . . . 86 LEU HG . 16273 1 1051 . 1 1 86 86 LEU C C 13 175.161 0.010 . . . . . . 86 LEU C . 16273 1 1052 . 1 1 86 86 LEU CA C 13 54.001 0.084 . . . . . . 86 LEU CA . 16273 1 1053 . 1 1 86 86 LEU CB C 13 44.430 0.059 . . . . . . 86 LEU CB . 16273 1 1054 . 1 1 86 86 LEU CD1 C 13 25.644 0.130 . . . . . . 86 LEU CD1 . 16273 1 1055 . 1 1 86 86 LEU CD2 C 13 25.888 0.000 . . . . . . 86 LEU CD2 . 16273 1 1056 . 1 1 86 86 LEU CG C 13 27.479 0.001 . . . . . . 86 LEU CG . 16273 1 1057 . 1 1 86 86 LEU N N 15 125.706 0.059 . . . . . . 86 LEU N . 16273 1 1058 . 1 1 87 87 GLU H H 1 8.771 0.007 . . . . . . 87 GLU H . 16273 1 1059 . 1 1 87 87 GLU HA H 1 4.731 0.007 . . . . . . 87 GLU HA . 16273 1 1060 . 1 1 87 87 GLU HB2 H 1 1.967 0.009 . . . . . . 87 GLU HB2 . 16273 1 1061 . 1 1 87 87 GLU HB3 H 1 1.840 0.003 . . . . . . 87 GLU HB3 . 16273 1 1062 . 1 1 87 87 GLU HG2 H 1 2.107 0.004 . . . . . . 87 GLU HG2 . 16273 1 1063 . 1 1 87 87 GLU HG3 H 1 2.107 0.004 . . . . . . 87 GLU HG3 . 16273 1 1064 . 1 1 87 87 GLU C C 13 174.782 0.012 . . . . . . 87 GLU C . 16273 1 1065 . 1 1 87 87 GLU CA C 13 54.576 0.019 . . . . . . 87 GLU CA . 16273 1 1066 . 1 1 87 87 GLU CB C 13 33.749 0.014 . . . . . . 87 GLU CB . 16273 1 1067 . 1 1 87 87 GLU CG C 13 36.056 0.100 . . . . . . 87 GLU CG . 16273 1 1068 . 1 1 87 87 GLU N N 15 124.556 0.028 . . . . . . 87 GLU N . 16273 1 1069 . 1 1 88 88 GLU H H 1 8.928 0.004 . . . . . . 88 GLU H . 16273 1 1070 . 1 1 88 88 GLU HA H 1 4.694 0.004 . . . . . . 88 GLU HA . 16273 1 1071 . 1 1 88 88 GLU HB2 H 1 1.830 0.005 . . . . . . 88 GLU HB2 . 16273 1 1072 . 1 1 88 88 GLU HB3 H 1 2.002 0.007 . . . . . . 88 GLU HB3 . 16273 1 1073 . 1 1 88 88 GLU HG2 H 1 2.252 0.002 . . . . . . 88 GLU HG2 . 16273 1 1074 . 1 1 88 88 GLU HG3 H 1 2.093 0.005 . . . . . . 88 GLU HG3 . 16273 1 1075 . 1 1 88 88 GLU C C 13 176.040 0.022 . . . . . . 88 GLU C . 16273 1 1076 . 1 1 88 88 GLU CA C 13 56.483 0.028 . . . . . . 88 GLU CA . 16273 1 1077 . 1 1 88 88 GLU CB C 13 30.369 0.071 . . . . . . 88 GLU CB . 16273 1 1078 . 1 1 88 88 GLU N N 15 125.506 0.060 . . . . . . 88 GLU N . 16273 1 1079 . 1 1 89 89 VAL H H 1 8.415 0.004 . . . . . . 89 VAL H . 16273 1 1080 . 1 1 89 89 VAL HA H 1 4.238 0.007 . . . . . . 89 VAL HA . 16273 1 1081 . 1 1 89 89 VAL HB H 1 1.905 0.004 . . . . . . 89 VAL HB . 16273 1 1082 . 1 1 89 89 VAL HG11 H 1 0.761 0.003 . . . . . . 89 VAL HG11 . 16273 1 1083 . 1 1 89 89 VAL HG12 H 1 0.761 0.003 . . . . . . 89 VAL HG12 . 16273 1 1084 . 1 1 89 89 VAL HG13 H 1 0.761 0.003 . . . . . . 89 VAL HG13 . 16273 1 1085 . 1 1 89 89 VAL HG21 H 1 0.838 0.003 . . . . . . 89 VAL HG21 . 16273 1 1086 . 1 1 89 89 VAL HG22 H 1 0.838 0.003 . . . . . . 89 VAL HG22 . 16273 1 1087 . 1 1 89 89 VAL HG23 H 1 0.838 0.003 . . . . . . 89 VAL HG23 . 16273 1 1088 . 1 1 89 89 VAL C C 13 175.411 0.020 . . . . . . 89 VAL C . 16273 1 1089 . 1 1 89 89 VAL CA C 13 61.440 0.045 . . . . . . 89 VAL CA . 16273 1 1090 . 1 1 89 89 VAL CB C 13 33.419 0.029 . . . . . . 89 VAL CB . 16273 1 1091 . 1 1 89 89 VAL CG1 C 13 20.408 0.032 . . . . . . 89 VAL CG1 . 16273 1 1092 . 1 1 89 89 VAL CG2 C 13 21.241 0.071 . . . . . . 89 VAL CG2 . 16273 1 1093 . 1 1 89 89 VAL N N 15 124.489 0.038 . . . . . . 89 VAL N . 16273 1 1094 . 1 1 90 90 SER H H 1 8.571 0.004 . . . . . . 90 SER H . 16273 1 1095 . 1 1 90 90 SER HA H 1 4.800 0.006 . . . . . . 90 SER HA . 16273 1 1096 . 1 1 90 90 SER HB2 H 1 3.874 0.005 . . . . . . 90 SER HB2 . 16273 1 1097 . 1 1 90 90 SER HB3 H 1 3.802 0.005 . . . . . . 90 SER HB3 . 16273 1 1098 . 1 1 90 90 SER CA C 13 56.162 0.003 . . . . . . 90 SER CA . 16273 1 1099 . 1 1 90 90 SER CB C 13 63.219 0.003 . . . . . . 90 SER CB . 16273 1 1100 . 1 1 90 90 SER N N 15 121.359 0.048 . . . . . . 90 SER N . 16273 1 1101 . 1 1 91 91 PRO HA H 1 4.201 0.004 . . . . . . 91 PRO HA . 16273 1 1102 . 1 1 91 91 PRO HB2 H 1 2.141 0.003 . . . . . . 91 PRO HB2 . 16273 1 1103 . 1 1 91 91 PRO HB3 H 1 1.824 0.003 . . . . . . 91 PRO HB3 . 16273 1 1104 . 1 1 91 91 PRO HD2 H 1 3.699 0.006 . . . . . . 91 PRO HD2 . 16273 1 1105 . 1 1 91 91 PRO HD3 H 1 3.824 0.004 . . . . . . 91 PRO HD3 . 16273 1 1106 . 1 1 91 91 PRO HG2 H 1 1.878 0.006 . . . . . . 91 PRO HG2 . 16273 1 1107 . 1 1 91 91 PRO HG3 H 1 1.926 0.004 . . . . . . 91 PRO HG3 . 16273 1 1108 . 1 1 91 91 PRO C C 13 176.447 0.002 . . . . . . 91 PRO C . 16273 1 1109 . 1 1 91 91 PRO CA C 13 63.243 0.019 . . . . . . 91 PRO CA . 16273 1 1110 . 1 1 91 91 PRO CB C 13 32.088 0.019 . . . . . . 91 PRO CB . 16273 1 1111 . 1 1 91 91 PRO CD C 13 50.800 0.042 . . . . . . 91 PRO CD . 16273 1 1112 . 1 1 91 91 PRO CG C 13 27.383 0.006 . . . . . . 91 PRO CG . 16273 1 1113 . 1 1 92 92 ASP H H 1 8.269 0.003 . . . . . . 92 ASP H . 16273 1 1114 . 1 1 92 92 ASP HA H 1 4.522 0.007 . . . . . . 92 ASP HA . 16273 1 1115 . 1 1 92 92 ASP HB2 H 1 2.588 0.007 . . . . . . 92 ASP HB2 . 16273 1 1116 . 1 1 92 92 ASP HB3 H 1 2.664 0.013 . . . . . . 92 ASP HB3 . 16273 1 1117 . 1 1 92 92 ASP C C 13 176.879 0.020 . . . . . . 92 ASP C . 16273 1 1118 . 1 1 92 92 ASP CA C 13 54.355 0.027 . . . . . . 92 ASP CA . 16273 1 1119 . 1 1 92 92 ASP CB C 13 41.293 0.127 . . . . . . 92 ASP CB . 16273 1 1120 . 1 1 92 92 ASP N N 15 119.724 0.039 . . . . . . 92 ASP N . 16273 1 1121 . 1 1 93 93 GLY H H 1 8.321 0.004 . . . . . . 93 GLY H . 16273 1 1122 . 1 1 93 93 GLY HA2 H 1 3.849 0.006 . . . . . . 93 GLY HA2 . 16273 1 1123 . 1 1 93 93 GLY HA3 H 1 3.969 0.006 . . . . . . 93 GLY HA3 . 16273 1 1124 . 1 1 93 93 GLY C C 13 174.528 0.038 . . . . . . 93 GLY C . 16273 1 1125 . 1 1 93 93 GLY CA C 13 45.761 0.008 . . . . . . 93 GLY CA . 16273 1 1126 . 1 1 93 93 GLY N N 15 109.873 0.014 . . . . . . 93 GLY N . 16273 1 1127 . 1 1 94 94 GLU H H 1 8.252 0.004 . . . . . . 94 GLU H . 16273 1 1128 . 1 1 94 94 GLU HA H 1 4.213 0.008 . . . . . . 94 GLU HA . 16273 1 1129 . 1 1 94 94 GLU HB2 H 1 1.895 0.004 . . . . . . 94 GLU HB2 . 16273 1 1130 . 1 1 94 94 GLU HB3 H 1 2.004 0.004 . . . . . . 94 GLU HB3 . 16273 1 1131 . 1 1 94 94 GLU HG2 H 1 2.231 0.004 . . . . . . 94 GLU HG2 . 16273 1 1132 . 1 1 94 94 GLU HG3 H 1 2.157 0.011 . . . . . . 94 GLU HG3 . 16273 1 1133 . 1 1 94 94 GLU C C 13 176.419 0.032 . . . . . . 94 GLU C . 16273 1 1134 . 1 1 94 94 GLU CA C 13 56.987 0.011 . . . . . . 94 GLU CA . 16273 1 1135 . 1 1 94 94 GLU CB C 13 30.262 0.040 . . . . . . 94 GLU CB . 16273 1 1136 . 1 1 94 94 GLU CG C 13 36.296 0.000 . . . . . . 94 GLU CG . 16273 1 1137 . 1 1 94 94 GLU N N 15 120.380 0.050 . . . . . . 94 GLU N . 16273 1 1138 . 1 1 95 95 LEU H H 1 8.099 0.009 . . . . . . 95 LEU H . 16273 1 1139 . 1 1 95 95 LEU HA H 1 4.255 0.006 . . . . . . 95 LEU HA . 16273 1 1140 . 1 1 95 95 LEU HB2 H 1 1.534 0.005 . . . . . . 95 LEU HB2 . 16273 1 1141 . 1 1 95 95 LEU HB3 H 1 1.430 0.003 . . . . . . 95 LEU HB3 . 16273 1 1142 . 1 1 95 95 LEU HD11 H 1 0.795 0.002 . . . . . . 95 LEU HD11 . 16273 1 1143 . 1 1 95 95 LEU HD12 H 1 0.795 0.002 . . . . . . 95 LEU HD12 . 16273 1 1144 . 1 1 95 95 LEU HD13 H 1 0.795 0.002 . . . . . . 95 LEU HD13 . 16273 1 1145 . 1 1 95 95 LEU HD21 H 1 0.862 0.004 . . . . . . 95 LEU HD21 . 16273 1 1146 . 1 1 95 95 LEU HD22 H 1 0.862 0.004 . . . . . . 95 LEU HD22 . 16273 1 1147 . 1 1 95 95 LEU HD23 H 1 0.862 0.004 . . . . . . 95 LEU HD23 . 16273 1 1148 . 1 1 95 95 LEU HG H 1 1.510 0.000 . . . . . . 95 LEU HG . 16273 1 1149 . 1 1 95 95 LEU C C 13 176.673 0.013 . . . . . . 95 LEU C . 16273 1 1150 . 1 1 95 95 LEU CA C 13 55.017 0.053 . . . . . . 95 LEU CA . 16273 1 1151 . 1 1 95 95 LEU CB C 13 42.281 0.052 . . . . . . 95 LEU CB . 16273 1 1152 . 1 1 95 95 LEU CD1 C 13 23.509 0.046 . . . . . . 95 LEU CD1 . 16273 1 1153 . 1 1 95 95 LEU CD2 C 13 24.936 0.000 . . . . . . 95 LEU CD2 . 16273 1 1154 . 1 1 95 95 LEU CG C 13 27.002 0.000 . . . . . . 95 LEU CG . 16273 1 1155 . 1 1 95 95 LEU N N 15 120.982 0.036 . . . . . . 95 LEU N . 16273 1 1156 . 1 1 96 96 TYR H H 1 7.986 0.005 . . . . . . 96 TYR H . 16273 1 1157 . 1 1 96 96 TYR HA H 1 4.345 0.004 . . . . . . 96 TYR HA . 16273 1 1158 . 1 1 96 96 TYR HB2 H 1 2.839 0.009 . . . . . . 96 TYR HB2 . 16273 1 1159 . 1 1 96 96 TYR HB3 H 1 2.936 0.006 . . . . . . 96 TYR HB3 . 16273 1 1160 . 1 1 96 96 TYR HD1 H 1 7.022 0.010 . . . . . . 96 TYR HD1 . 16273 1 1161 . 1 1 96 96 TYR HD2 H 1 7.022 0.010 . . . . . . 96 TYR HD2 . 16273 1 1162 . 1 1 96 96 TYR HE1 H 1 6.795 0.003 . . . . . . 96 TYR HE1 . 16273 1 1163 . 1 1 96 96 TYR HE2 H 1 6.795 0.003 . . . . . . 96 TYR HE2 . 16273 1 1164 . 1 1 96 96 TYR C C 13 175.144 0.018 . . . . . . 96 TYR C . 16273 1 1165 . 1 1 96 96 TYR CA C 13 58.358 0.021 . . . . . . 96 TYR CA . 16273 1 1166 . 1 1 96 96 TYR CB C 13 38.500 0.021 . . . . . . 96 TYR CB . 16273 1 1167 . 1 1 96 96 TYR CD1 C 13 133.292 0.073 . . . . . . 96 TYR CD1 . 16273 1 1168 . 1 1 96 96 TYR CD2 C 13 133.283 0.000 . . . . . . 96 TYR CD2 . 16273 1 1169 . 1 1 96 96 TYR CE1 C 13 118.393 0.039 . . . . . . 96 TYR CE1 . 16273 1 1170 . 1 1 96 96 TYR CE2 C 13 118.393 0.000 . . . . . . 96 TYR CE2 . 16273 1 1171 . 1 1 96 96 TYR N N 15 121.326 0.029 . . . . . . 96 TYR N . 16273 1 1172 . 1 1 97 97 ILE H H 1 7.727 0.004 . . . . . . 97 ILE H . 16273 1 1173 . 1 1 97 97 ILE HA H 1 3.987 0.007 . . . . . . 97 ILE HA . 16273 1 1174 . 1 1 97 97 ILE HB H 1 1.610 0.009 . . . . . . 97 ILE HB . 16273 1 1175 . 1 1 97 97 ILE HD11 H 1 0.745 0.004 . . . . . . 97 ILE HD11 . 16273 1 1176 . 1 1 97 97 ILE HD12 H 1 0.745 0.004 . . . . . . 97 ILE HD12 . 16273 1 1177 . 1 1 97 97 ILE HD13 H 1 0.745 0.004 . . . . . . 97 ILE HD13 . 16273 1 1178 . 1 1 97 97 ILE HG12 H 1 1.355 0.006 . . . . . . 97 ILE HG12 . 16273 1 1179 . 1 1 97 97 ILE HG13 H 1 1.037 0.004 . . . . . . 97 ILE HG13 . 16273 1 1180 . 1 1 97 97 ILE HG21 H 1 0.754 0.006 . . . . . . 97 ILE HG21 . 16273 1 1181 . 1 1 97 97 ILE HG22 H 1 0.754 0.006 . . . . . . 97 ILE HG22 . 16273 1 1182 . 1 1 97 97 ILE HG23 H 1 0.754 0.006 . . . . . . 97 ILE HG23 . 16273 1 1183 . 1 1 97 97 ILE C C 13 175.529 0.007 . . . . . . 97 ILE C . 16273 1 1184 . 1 1 97 97 ILE CA C 13 60.035 0.045 . . . . . . 97 ILE CA . 16273 1 1185 . 1 1 97 97 ILE CB C 13 38.740 0.075 . . . . . . 97 ILE CB . 16273 1 1186 . 1 1 97 97 ILE CD1 C 13 12.568 0.042 . . . . . . 97 ILE CD1 . 16273 1 1187 . 1 1 97 97 ILE CG1 C 13 27.010 0.016 . . . . . . 97 ILE CG1 . 16273 1 1188 . 1 1 97 97 ILE CG2 C 13 17.115 0.028 . . . . . . 97 ILE CG2 . 16273 1 1189 . 1 1 97 97 ILE N N 15 125.260 0.017 . . . . . . 97 ILE N . 16273 1 1190 . 1 1 98 98 LEU H H 1 8.221 0.006 . . . . . . 98 LEU H . 16273 1 1191 . 1 1 98 98 LEU HA H 1 4.004 0.009 . . . . . . 98 LEU HA . 16273 1 1192 . 1 1 98 98 LEU HB2 H 1 1.499 0.004 . . . . . . 98 LEU HB2 . 16273 1 1193 . 1 1 98 98 LEU HB3 H 1 1.559 0.003 . . . . . . 98 LEU HB3 . 16273 1 1194 . 1 1 98 98 LEU HD11 H 1 0.953 0.004 . . . . . . 98 LEU HD11 . 16273 1 1195 . 1 1 98 98 LEU HD12 H 1 0.953 0.004 . . . . . . 98 LEU HD12 . 16273 1 1196 . 1 1 98 98 LEU HD13 H 1 0.953 0.004 . . . . . . 98 LEU HD13 . 16273 1 1197 . 1 1 98 98 LEU HD21 H 1 0.892 0.005 . . . . . . 98 LEU HD21 . 16273 1 1198 . 1 1 98 98 LEU HD22 H 1 0.892 0.005 . . . . . . 98 LEU HD22 . 16273 1 1199 . 1 1 98 98 LEU HD23 H 1 0.892 0.005 . . . . . . 98 LEU HD23 . 16273 1 1200 . 1 1 98 98 LEU HG H 1 1.560 0.000 . . . . . . 98 LEU HG . 16273 1 1201 . 1 1 98 98 LEU C C 13 177.428 0.012 . . . . . . 98 LEU C . 16273 1 1202 . 1 1 98 98 LEU CA C 13 56.387 0.047 . . . . . . 98 LEU CA . 16273 1 1203 . 1 1 98 98 LEU CB C 13 41.858 0.145 . . . . . . 98 LEU CB . 16273 1 1204 . 1 1 98 98 LEU CD1 C 13 24.709 0.034 . . . . . . 98 LEU CD1 . 16273 1 1205 . 1 1 98 98 LEU CD2 C 13 24.264 0.053 . . . . . . 98 LEU CD2 . 16273 1 1206 . 1 1 98 98 LEU CG C 13 27.005 0.006 . . . . . . 98 LEU CG . 16273 1 1207 . 1 1 98 98 LEU N N 15 127.385 0.032 . . . . . . 98 LEU N . 16273 1 1208 . 1 1 99 99 GLY H H 1 7.841 0.009 . . . . . . 99 GLY H . 16273 1 1209 . 1 1 99 99 GLY HA2 H 1 2.960 0.009 . . . . . . 99 GLY HA2 . 16273 1 1210 . 1 1 99 99 GLY HA3 H 1 3.953 0.013 . . . . . . 99 GLY HA3 . 16273 1 1211 . 1 1 99 99 GLY C C 13 174.123 0.035 . . . . . . 99 GLY C . 16273 1 1212 . 1 1 99 99 GLY CA C 13 44.807 0.038 . . . . . . 99 GLY CA . 16273 1 1213 . 1 1 99 99 GLY N N 15 111.796 0.034 . . . . . . 99 GLY N . 16273 1 1214 . 1 1 100 100 SER H H 1 7.883 0.007 . . . . . . 100 SER H . 16273 1 1215 . 1 1 100 100 SER HA H 1 4.388 0.012 . . . . . . 100 SER HA . 16273 1 1216 . 1 1 100 100 SER HB2 H 1 3.850 0.007 . . . . . . 100 SER HB2 . 16273 1 1217 . 1 1 100 100 SER HB3 H 1 3.850 0.007 . . . . . . 100 SER HB3 . 16273 1 1218 . 1 1 100 100 SER C C 13 174.678 0.005 . . . . . . 100 SER C . 16273 1 1219 . 1 1 100 100 SER CA C 13 58.509 0.066 . . . . . . 100 SER CA . 16273 1 1220 . 1 1 100 100 SER CB C 13 64.134 0.092 . . . . . . 100 SER CB . 16273 1 1221 . 1 1 100 100 SER N N 15 115.927 0.041 . . . . . . 100 SER N . 16273 1 1222 . 1 1 101 101 ASP H H 1 8.321 0.007 . . . . . . 101 ASP H . 16273 1 1223 . 1 1 101 101 ASP HA H 1 4.834 0.007 . . . . . . 101 ASP HA . 16273 1 1224 . 1 1 101 101 ASP HB2 H 1 2.619 0.009 . . . . . . 101 ASP HB2 . 16273 1 1225 . 1 1 101 101 ASP HB3 H 1 2.432 0.008 . . . . . . 101 ASP HB3 . 16273 1 1226 . 1 1 101 101 ASP C C 13 175.786 0.006 . . . . . . 101 ASP C . 16273 1 1227 . 1 1 101 101 ASP CA C 13 55.342 0.015 . . . . . . 101 ASP CA . 16273 1 1228 . 1 1 101 101 ASP CB C 13 41.640 0.038 . . . . . . 101 ASP CB . 16273 1 1229 . 1 1 101 101 ASP N N 15 121.525 0.022 . . . . . . 101 ASP N . 16273 1 1230 . 1 1 102 102 VAL H H 1 9.014 0.006 . . . . . . 102 VAL H . 16273 1 1231 . 1 1 102 102 VAL HA H 1 4.234 0.010 . . . . . . 102 VAL HA . 16273 1 1232 . 1 1 102 102 VAL HB H 1 1.964 0.007 . . . . . . 102 VAL HB . 16273 1 1233 . 1 1 102 102 VAL HG11 H 1 0.988 0.007 . . . . . . 102 VAL HG11 . 16273 1 1234 . 1 1 102 102 VAL HG12 H 1 0.988 0.007 . . . . . . 102 VAL HG12 . 16273 1 1235 . 1 1 102 102 VAL HG13 H 1 0.988 0.007 . . . . . . 102 VAL HG13 . 16273 1 1236 . 1 1 102 102 VAL HG21 H 1 0.884 0.003 . . . . . . 102 VAL HG21 . 16273 1 1237 . 1 1 102 102 VAL HG22 H 1 0.884 0.003 . . . . . . 102 VAL HG22 . 16273 1 1238 . 1 1 102 102 VAL HG23 H 1 0.884 0.003 . . . . . . 102 VAL HG23 . 16273 1 1239 . 1 1 102 102 VAL C C 13 175.714 0.007 . . . . . . 102 VAL C . 16273 1 1240 . 1 1 102 102 VAL CA C 13 61.787 0.014 . . . . . . 102 VAL CA . 16273 1 1241 . 1 1 102 102 VAL CB C 13 34.229 0.044 . . . . . . 102 VAL CB . 16273 1 1242 . 1 1 102 102 VAL CG1 C 13 21.010 0.034 . . . . . . 102 VAL CG1 . 16273 1 1243 . 1 1 102 102 VAL CG2 C 13 20.993 0.034 . . . . . . 102 VAL CG2 . 16273 1 1244 . 1 1 102 102 VAL N N 15 121.497 0.021 . . . . . . 102 VAL N . 16273 1 1245 . 1 1 103 103 THR H H 1 8.964 0.004 . . . . . . 103 THR H . 16273 1 1246 . 1 1 103 103 THR HA H 1 5.226 0.008 . . . . . . 103 THR HA . 16273 1 1247 . 1 1 103 103 THR HB H 1 4.055 0.006 . . . . . . 103 THR HB . 16273 1 1248 . 1 1 103 103 THR HG21 H 1 1.075 0.005 . . . . . . 103 THR HG21 . 16273 1 1249 . 1 1 103 103 THR HG22 H 1 1.075 0.005 . . . . . . 103 THR HG22 . 16273 1 1250 . 1 1 103 103 THR HG23 H 1 1.075 0.005 . . . . . . 103 THR HG23 . 16273 1 1251 . 1 1 103 103 THR C C 13 174.026 0.008 . . . . . . 103 THR C . 16273 1 1252 . 1 1 103 103 THR CA C 13 62.784 0.041 . . . . . . 103 THR CA . 16273 1 1253 . 1 1 103 103 THR CB C 13 69.118 0.062 . . . . . . 103 THR CB . 16273 1 1254 . 1 1 103 103 THR CG2 C 13 21.808 0.043 . . . . . . 103 THR CG2 . 16273 1 1255 . 1 1 103 103 THR N N 15 124.795 0.035 . . . . . . 103 THR N . 16273 1 1256 . 1 1 104 104 VAL H H 1 9.378 0.007 . . . . . . 104 VAL H . 16273 1 1257 . 1 1 104 104 VAL HA H 1 5.179 0.008 . . . . . . 104 VAL HA . 16273 1 1258 . 1 1 104 104 VAL HB H 1 1.868 0.007 . . . . . . 104 VAL HB . 16273 1 1259 . 1 1 104 104 VAL HG11 H 1 0.859 0.002 . . . . . . 104 VAL HG11 . 16273 1 1260 . 1 1 104 104 VAL HG12 H 1 0.859 0.002 . . . . . . 104 VAL HG12 . 16273 1 1261 . 1 1 104 104 VAL HG13 H 1 0.859 0.002 . . . . . . 104 VAL HG13 . 16273 1 1262 . 1 1 104 104 VAL HG21 H 1 0.821 0.003 . . . . . . 104 VAL HG21 . 16273 1 1263 . 1 1 104 104 VAL HG22 H 1 0.821 0.003 . . . . . . 104 VAL HG22 . 16273 1 1264 . 1 1 104 104 VAL HG23 H 1 0.821 0.003 . . . . . . 104 VAL HG23 . 16273 1 1265 . 1 1 104 104 VAL C C 13 173.148 0.015 . . . . . . 104 VAL C . 16273 1 1266 . 1 1 104 104 VAL CA C 13 58.713 0.007 . . . . . . 104 VAL CA . 16273 1 1267 . 1 1 104 104 VAL CB C 13 35.484 0.036 . . . . . . 104 VAL CB . 16273 1 1268 . 1 1 104 104 VAL CG1 C 13 20.527 0.028 . . . . . . 104 VAL CG1 . 16273 1 1269 . 1 1 104 104 VAL CG2 C 13 21.923 0.038 . . . . . . 104 VAL CG2 . 16273 1 1270 . 1 1 104 104 VAL N N 15 121.396 0.032 . . . . . . 104 VAL N . 16273 1 1271 . 1 1 105 105 GLN H H 1 9.174 0.008 . . . . . . 105 GLN H . 16273 1 1272 . 1 1 105 105 GLN HA H 1 5.294 0.009 . . . . . . 105 GLN HA . 16273 1 1273 . 1 1 105 105 GLN HB2 H 1 1.939 0.004 . . . . . . 105 GLN HB2 . 16273 1 1274 . 1 1 105 105 GLN HB3 H 1 1.867 0.006 . . . . . . 105 GLN HB3 . 16273 1 1275 . 1 1 105 105 GLN HE21 H 1 7.622 0.003 . . . . . . 105 GLN HE21 . 16273 1 1276 . 1 1 105 105 GLN HE22 H 1 6.714 0.005 . . . . . . 105 GLN HE22 . 16273 1 1277 . 1 1 105 105 GLN HG2 H 1 2.108 0.005 . . . . . . 105 GLN HG2 . 16273 1 1278 . 1 1 105 105 GLN HG3 H 1 2.061 0.005 . . . . . . 105 GLN HG3 . 16273 1 1279 . 1 1 105 105 GLN C C 13 173.943 0.013 . . . . . . 105 GLN C . 16273 1 1280 . 1 1 105 105 GLN CA C 13 53.962 0.043 . . . . . . 105 GLN CA . 16273 1 1281 . 1 1 105 105 GLN CB C 13 32.117 0.026 . . . . . . 105 GLN CB . 16273 1 1282 . 1 1 105 105 GLN CG C 13 34.515 0.014 . . . . . . 105 GLN CG . 16273 1 1283 . 1 1 105 105 GLN N N 15 122.256 0.052 . . . . . . 105 GLN N . 16273 1 1284 . 1 1 105 105 GLN NE2 N 15 111.691 0.047 . . . . . . 105 GLN NE2 . 16273 1 1285 . 1 1 106 106 LEU H H 1 9.446 0.004 . . . . . . 106 LEU H . 16273 1 1286 . 1 1 106 106 LEU HA H 1 4.785 0.008 . . . . . . 106 LEU HA . 16273 1 1287 . 1 1 106 106 LEU HB2 H 1 1.620 0.004 . . . . . . 106 LEU HB2 . 16273 1 1288 . 1 1 106 106 LEU HB3 H 1 1.620 0.004 . . . . . . 106 LEU HB3 . 16273 1 1289 . 1 1 106 106 LEU HD11 H 1 0.784 0.002 . . . . . . 106 LEU HD11 . 16273 1 1290 . 1 1 106 106 LEU HD12 H 1 0.784 0.002 . . . . . . 106 LEU HD12 . 16273 1 1291 . 1 1 106 106 LEU HD13 H 1 0.784 0.002 . . . . . . 106 LEU HD13 . 16273 1 1292 . 1 1 106 106 LEU HD21 H 1 0.855 0.001 . . . . . . 106 LEU HD21 . 16273 1 1293 . 1 1 106 106 LEU HD22 H 1 0.855 0.001 . . . . . . 106 LEU HD22 . 16273 1 1294 . 1 1 106 106 LEU HD23 H 1 0.855 0.001 . . . . . . 106 LEU HD23 . 16273 1 1295 . 1 1 106 106 LEU HG H 1 1.607 0.000 . . . . . . 106 LEU HG . 16273 1 1296 . 1 1 106 106 LEU C C 13 174.456 0.008 . . . . . . 106 LEU C . 16273 1 1297 . 1 1 106 106 LEU CA C 13 53.655 0.065 . . . . . . 106 LEU CA . 16273 1 1298 . 1 1 106 106 LEU CB C 13 43.808 0.046 . . . . . . 106 LEU CB . 16273 1 1299 . 1 1 106 106 LEU CD1 C 13 24.834 0.023 . . . . . . 106 LEU CD1 . 16273 1 1300 . 1 1 106 106 LEU CD2 C 13 23.499 0.000 . . . . . . 106 LEU CD2 . 16273 1 1301 . 1 1 106 106 LEU CG C 13 27.709 0.009 . . . . . . 106 LEU CG . 16273 1 1302 . 1 1 106 106 LEU N N 15 127.720 0.054 . . . . . . 106 LEU N . 16273 1 1303 . 1 1 107 107 ASN H H 1 8.587 0.007 . . . . . . 107 ASN H . 16273 1 1304 . 1 1 107 107 ASN HA H 1 5.520 0.010 . . . . . . 107 ASN HA . 16273 1 1305 . 1 1 107 107 ASN HB2 H 1 2.631 0.009 . . . . . . 107 ASN HB2 . 16273 1 1306 . 1 1 107 107 ASN HB3 H 1 2.565 0.007 . . . . . . 107 ASN HB3 . 16273 1 1307 . 1 1 107 107 ASN HD21 H 1 7.176 0.002 . . . . . . 107 ASN HD21 . 16273 1 1308 . 1 1 107 107 ASN HD22 H 1 6.821 0.005 . . . . . . 107 ASN HD22 . 16273 1 1309 . 1 1 107 107 ASN C C 13 173.836 0.011 . . . . . . 107 ASN C . 16273 1 1310 . 1 1 107 107 ASN CA C 13 52.547 0.024 . . . . . . 107 ASN CA . 16273 1 1311 . 1 1 107 107 ASN CB C 13 42.664 0.024 . . . . . . 107 ASN CB . 16273 1 1312 . 1 1 107 107 ASN N N 15 122.282 0.032 . . . . . . 107 ASN N . 16273 1 1313 . 1 1 107 107 ASN ND2 N 15 112.897 0.041 . . . . . . 107 ASN ND2 . 16273 1 1314 . 1 1 108 108 THR H H 1 8.685 0.005 . . . . . . 108 THR H . 16273 1 1315 . 1 1 108 108 THR HA H 1 4.744 0.002 . . . . . . 108 THR HA . 16273 1 1316 . 1 1 108 108 THR HB H 1 4.666 0.007 . . . . . . 108 THR HB . 16273 1 1317 . 1 1 108 108 THR HG21 H 1 1.222 0.012 . . . . . . 108 THR HG21 . 16273 1 1318 . 1 1 108 108 THR HG22 H 1 1.222 0.012 . . . . . . 108 THR HG22 . 16273 1 1319 . 1 1 108 108 THR HG23 H 1 1.222 0.012 . . . . . . 108 THR HG23 . 16273 1 1320 . 1 1 108 108 THR C C 13 174.399 0.013 . . . . . . 108 THR C . 16273 1 1321 . 1 1 108 108 THR CA C 13 59.563 0.057 . . . . . . 108 THR CA . 16273 1 1322 . 1 1 108 108 THR CB C 13 71.190 0.002 . . . . . . 108 THR CB . 16273 1 1323 . 1 1 108 108 THR CG2 C 13 22.610 0.032 . . . . . . 108 THR CG2 . 16273 1 1324 . 1 1 108 108 THR N N 15 112.899 0.036 . . . . . . 108 THR N . 16273 1 1325 . 1 1 109 109 ALA H H 1 9.298 0.010 . . . . . . 109 ALA H . 16273 1 1326 . 1 1 109 109 ALA HA H 1 4.118 0.004 . . . . . . 109 ALA HA . 16273 1 1327 . 1 1 109 109 ALA HB1 H 1 1.439 0.006 . . . . . . 109 ALA HB1 . 16273 1 1328 . 1 1 109 109 ALA HB2 H 1 1.439 0.006 . . . . . . 109 ALA HB2 . 16273 1 1329 . 1 1 109 109 ALA HB3 H 1 1.439 0.006 . . . . . . 109 ALA HB3 . 16273 1 1330 . 1 1 109 109 ALA C C 13 178.935 0.006 . . . . . . 109 ALA C . 16273 1 1331 . 1 1 109 109 ALA CA C 13 55.296 0.007 . . . . . . 109 ALA CA . 16273 1 1332 . 1 1 109 109 ALA CB C 13 18.230 0.044 . . . . . . 109 ALA CB . 16273 1 1333 . 1 1 109 109 ALA N N 15 121.929 0.036 . . . . . . 109 ALA N . 16273 1 1334 . 1 1 110 110 GLU H H 1 7.953 0.006 . . . . . . 110 GLU H . 16273 1 1335 . 1 1 110 110 GLU HA H 1 4.418 0.008 . . . . . . 110 GLU HA . 16273 1 1336 . 1 1 110 110 GLU HB2 H 1 2.064 0.010 . . . . . . 110 GLU HB2 . 16273 1 1337 . 1 1 110 110 GLU HB3 H 1 1.788 0.010 . . . . . . 110 GLU HB3 . 16273 1 1338 . 1 1 110 110 GLU HG2 H 1 2.174 0.005 . . . . . . 110 GLU HG2 . 16273 1 1339 . 1 1 110 110 GLU HG3 H 1 2.174 0.005 . . . . . . 110 GLU HG3 . 16273 1 1340 . 1 1 110 110 GLU C C 13 175.738 0.006 . . . . . . 110 GLU C . 16273 1 1341 . 1 1 110 110 GLU CA C 13 56.479 0.025 . . . . . . 110 GLU CA . 16273 1 1342 . 1 1 110 110 GLU CB C 13 32.061 0.033 . . . . . . 110 GLU CB . 16273 1 1343 . 1 1 110 110 GLU CG C 13 36.291 0.049 . . . . . . 110 GLU CG . 16273 1 1344 . 1 1 110 110 GLU N N 15 112.666 0.046 . . . . . . 110 GLU N . 16273 1 1345 . 1 1 111 111 LEU H H 1 7.702 0.005 . . . . . . 111 LEU H . 16273 1 1346 . 1 1 111 111 LEU HA H 1 4.603 0.006 . . . . . . 111 LEU HA . 16273 1 1347 . 1 1 111 111 LEU HB2 H 1 1.443 0.008 . . . . . . 111 LEU HB2 . 16273 1 1348 . 1 1 111 111 LEU HB3 H 1 1.612 0.004 . . . . . . 111 LEU HB3 . 16273 1 1349 . 1 1 111 111 LEU HD11 H 1 0.836 0.004 . . . . . . 111 LEU HD11 . 16273 1 1350 . 1 1 111 111 LEU HD12 H 1 0.836 0.004 . . . . . . 111 LEU HD12 . 16273 1 1351 . 1 1 111 111 LEU HD13 H 1 0.836 0.004 . . . . . . 111 LEU HD13 . 16273 1 1352 . 1 1 111 111 LEU HD21 H 1 0.796 0.003 . . . . . . 111 LEU HD21 . 16273 1 1353 . 1 1 111 111 LEU HD22 H 1 0.796 0.003 . . . . . . 111 LEU HD22 . 16273 1 1354 . 1 1 111 111 LEU HD23 H 1 0.796 0.003 . . . . . . 111 LEU HD23 . 16273 1 1355 . 1 1 111 111 LEU HG H 1 1.466 0.007 . . . . . . 111 LEU HG . 16273 1 1356 . 1 1 111 111 LEU C C 13 175.056 0.003 . . . . . . 111 LEU C . 16273 1 1357 . 1 1 111 111 LEU CA C 13 54.572 0.031 . . . . . . 111 LEU CA . 16273 1 1358 . 1 1 111 111 LEU CB C 13 45.560 0.026 . . . . . . 111 LEU CB . 16273 1 1359 . 1 1 111 111 LEU CD1 C 13 25.277 0.000 . . . . . . 111 LEU CD1 . 16273 1 1360 . 1 1 111 111 LEU CD2 C 13 24.945 0.000 . . . . . . 111 LEU CD2 . 16273 1 1361 . 1 1 111 111 LEU CG C 13 26.800 0.000 . . . . . . 111 LEU CG . 16273 1 1362 . 1 1 111 111 LEU N N 15 120.380 0.029 . . . . . . 111 LEU N . 16273 1 1363 . 1 1 112 112 LYS H H 1 8.048 0.005 . . . . . . 112 LYS H . 16273 1 1364 . 1 1 112 112 LYS HA H 1 5.151 0.012 . . . . . . 112 LYS HA . 16273 1 1365 . 1 1 112 112 LYS HB2 H 1 1.688 0.003 . . . . . . 112 LYS HB2 . 16273 1 1366 . 1 1 112 112 LYS HB3 H 1 1.619 0.003 . . . . . . 112 LYS HB3 . 16273 1 1367 . 1 1 112 112 LYS HD2 H 1 1.576 0.008 . . . . . . 112 LYS HD2 . 16273 1 1368 . 1 1 112 112 LYS HD3 H 1 1.576 0.008 . . . . . . 112 LYS HD3 . 16273 1 1369 . 1 1 112 112 LYS HE2 H 1 2.858 0.005 . . . . . . 112 LYS HE2 . 16273 1 1370 . 1 1 112 112 LYS HE3 H 1 2.858 0.005 . . . . . . 112 LYS HE3 . 16273 1 1371 . 1 1 112 112 LYS HG2 H 1 1.368 0.004 . . . . . . 112 LYS HG2 . 16273 1 1372 . 1 1 112 112 LYS HG3 H 1 1.190 0.003 . . . . . . 112 LYS HG3 . 16273 1 1373 . 1 1 112 112 LYS C C 13 175.465 0.027 . . . . . . 112 LYS C . 16273 1 1374 . 1 1 112 112 LYS CA C 13 55.779 0.070 . . . . . . 112 LYS CA . 16273 1 1375 . 1 1 112 112 LYS CB C 13 34.650 0.012 . . . . . . 112 LYS CB . 16273 1 1376 . 1 1 112 112 LYS CD C 13 29.399 0.019 . . . . . . 112 LYS CD . 16273 1 1377 . 1 1 112 112 LYS CE C 13 42.079 0.034 . . . . . . 112 LYS CE . 16273 1 1378 . 1 1 112 112 LYS CG C 13 24.636 0.084 . . . . . . 112 LYS CG . 16273 1 1379 . 1 1 112 112 LYS N N 15 122.175 0.039 . . . . . . 112 LYS N . 16273 1 1380 . 1 1 113 113 LEU H H 1 8.864 0.006 . . . . . . 113 LEU H . 16273 1 1381 . 1 1 113 113 LEU HA H 1 4.762 0.007 . . . . . . 113 LEU HA . 16273 1 1382 . 1 1 113 113 LEU HB2 H 1 1.684 0.009 . . . . . . 113 LEU HB2 . 16273 1 1383 . 1 1 113 113 LEU HB3 H 1 1.126 0.004 . . . . . . 113 LEU HB3 . 16273 1 1384 . 1 1 113 113 LEU HD11 H 1 0.902 0.004 . . . . . . 113 LEU HD11 . 16273 1 1385 . 1 1 113 113 LEU HD12 H 1 0.902 0.004 . . . . . . 113 LEU HD12 . 16273 1 1386 . 1 1 113 113 LEU HD13 H 1 0.902 0.004 . . . . . . 113 LEU HD13 . 16273 1 1387 . 1 1 113 113 LEU HD21 H 1 0.869 0.006 . . . . . . 113 LEU HD21 . 16273 1 1388 . 1 1 113 113 LEU HD22 H 1 0.869 0.006 . . . . . . 113 LEU HD22 . 16273 1 1389 . 1 1 113 113 LEU HD23 H 1 0.869 0.006 . . . . . . 113 LEU HD23 . 16273 1 1390 . 1 1 113 113 LEU HG H 1 1.556 0.003 . . . . . . 113 LEU HG . 16273 1 1391 . 1 1 113 113 LEU C C 13 175.017 0.010 . . . . . . 113 LEU C . 16273 1 1392 . 1 1 113 113 LEU CA C 13 53.473 0.029 . . . . . . 113 LEU CA . 16273 1 1393 . 1 1 113 113 LEU CB C 13 46.529 0.045 . . . . . . 113 LEU CB . 16273 1 1394 . 1 1 113 113 LEU CD1 C 13 23.534 0.045 . . . . . . 113 LEU CD1 . 16273 1 1395 . 1 1 113 113 LEU N N 15 124.697 0.033 . . . . . . 113 LEU N . 16273 1 1396 . 1 1 114 114 VAL H H 1 8.439 0.004 . . . . . . 114 VAL H . 16273 1 1397 . 1 1 114 114 VAL HA H 1 4.748 0.005 . . . . . . 114 VAL HA . 16273 1 1398 . 1 1 114 114 VAL HB H 1 1.972 0.008 . . . . . . 114 VAL HB . 16273 1 1399 . 1 1 114 114 VAL HG11 H 1 0.877 0.002 . . . . . . 114 VAL HG11 . 16273 1 1400 . 1 1 114 114 VAL HG12 H 1 0.877 0.002 . . . . . . 114 VAL HG12 . 16273 1 1401 . 1 1 114 114 VAL HG13 H 1 0.877 0.002 . . . . . . 114 VAL HG13 . 16273 1 1402 . 1 1 114 114 VAL HG21 H 1 0.843 0.001 . . . . . . 114 VAL HG21 . 16273 1 1403 . 1 1 114 114 VAL HG22 H 1 0.843 0.001 . . . . . . 114 VAL HG22 . 16273 1 1404 . 1 1 114 114 VAL HG23 H 1 0.843 0.001 . . . . . . 114 VAL HG23 . 16273 1 1405 . 1 1 114 114 VAL C C 13 174.146 0.007 . . . . . . 114 VAL C . 16273 1 1406 . 1 1 114 114 VAL CA C 13 61.847 0.012 . . . . . . 114 VAL CA . 16273 1 1407 . 1 1 114 114 VAL CB C 13 33.610 0.114 . . . . . . 114 VAL CB . 16273 1 1408 . 1 1 114 114 VAL CG1 C 13 21.633 0.046 . . . . . . 114 VAL CG1 . 16273 1 1409 . 1 1 114 114 VAL CG2 C 13 21.410 0.016 . . . . . . 114 VAL CG2 . 16273 1 1410 . 1 1 114 114 VAL N N 15 123.436 0.046 . . . . . . 114 VAL N . 16273 1 1411 . 1 1 115 115 PHE H H 1 9.157 0.005 . . . . . . 115 PHE H . 16273 1 1412 . 1 1 115 115 PHE HA H 1 5.825 0.007 . . . . . . 115 PHE HA . 16273 1 1413 . 1 1 115 115 PHE HB2 H 1 2.575 0.008 . . . . . . 115 PHE HB2 . 16273 1 1414 . 1 1 115 115 PHE HB3 H 1 2.722 0.005 . . . . . . 115 PHE HB3 . 16273 1 1415 . 1 1 115 115 PHE HD1 H 1 6.842 0.008 . . . . . . 115 PHE HD1 . 16273 1 1416 . 1 1 115 115 PHE HD2 H 1 6.842 0.008 . . . . . . 115 PHE HD2 . 16273 1 1417 . 1 1 115 115 PHE HE1 H 1 6.969 0.008 . . . . . . 115 PHE HE1 . 16273 1 1418 . 1 1 115 115 PHE HE2 H 1 6.969 0.008 . . . . . . 115 PHE HE2 . 16273 1 1419 . 1 1 115 115 PHE HZ H 1 6.995 0.006 . . . . . . 115 PHE HZ . 16273 1 1420 . 1 1 115 115 PHE C C 13 175.505 0.012 . . . . . . 115 PHE C . 16273 1 1421 . 1 1 115 115 PHE CA C 13 55.523 0.038 . . . . . . 115 PHE CA . 16273 1 1422 . 1 1 115 115 PHE CB C 13 44.041 0.046 . . . . . . 115 PHE CB . 16273 1 1423 . 1 1 115 115 PHE CD1 C 13 131.435 0.017 . . . . . . 115 PHE CD1 . 16273 1 1424 . 1 1 115 115 PHE CD2 C 13 131.441 0.000 . . . . . . 115 PHE CD2 . 16273 1 1425 . 1 1 115 115 PHE CE1 C 13 130.977 0.042 . . . . . . 115 PHE CE1 . 16273 1 1426 . 1 1 115 115 PHE CE2 C 13 130.901 0.000 . . . . . . 115 PHE CE2 . 16273 1 1427 . 1 1 115 115 PHE CZ C 13 128.765 0.000 . . . . . . 115 PHE CZ . 16273 1 1428 . 1 1 115 115 PHE N N 15 122.652 0.042 . . . . . . 115 PHE N . 16273 1 1429 . 1 1 116 116 GLN H H 1 9.148 0.005 . . . . . . 116 GLN H . 16273 1 1430 . 1 1 116 116 GLN HA H 1 5.443 0.010 . . . . . . 116 GLN HA . 16273 1 1431 . 1 1 116 116 GLN HB2 H 1 1.895 0.006 . . . . . . 116 GLN HB2 . 16273 1 1432 . 1 1 116 116 GLN HB3 H 1 1.825 0.008 . . . . . . 116 GLN HB3 . 16273 1 1433 . 1 1 116 116 GLN HE21 H 1 7.349 0.001 . . . . . . 116 GLN HE21 . 16273 1 1434 . 1 1 116 116 GLN HE22 H 1 6.721 0.001 . . . . . . 116 GLN HE22 . 16273 1 1435 . 1 1 116 116 GLN HG2 H 1 2.305 0.005 . . . . . . 116 GLN HG2 . 16273 1 1436 . 1 1 116 116 GLN HG3 H 1 2.305 0.005 . . . . . . 116 GLN HG3 . 16273 1 1437 . 1 1 116 116 GLN C C 13 176.082 0.011 . . . . . . 116 GLN C . 16273 1 1438 . 1 1 116 116 GLN CA C 13 54.803 0.055 . . . . . . 116 GLN CA . 16273 1 1439 . 1 1 116 116 GLN CB C 13 30.814 0.048 . . . . . . 116 GLN CB . 16273 1 1440 . 1 1 116 116 GLN CG C 13 34.510 0.025 . . . . . . 116 GLN CG . 16273 1 1441 . 1 1 116 116 GLN N N 15 117.893 0.026 . . . . . . 116 GLN N . 16273 1 1442 . 1 1 116 116 GLN NE2 N 15 111.151 0.056 . . . . . . 116 GLN NE2 . 16273 1 1443 . 1 1 117 117 LEU H H 1 9.643 0.005 . . . . . . 117 LEU H . 16273 1 1444 . 1 1 117 117 LEU HA H 1 5.100 0.008 . . . . . . 117 LEU HA . 16273 1 1445 . 1 1 117 117 LEU HB2 H 1 1.567 0.007 . . . . . . 117 LEU HB2 . 16273 1 1446 . 1 1 117 117 LEU HB3 H 1 1.517 0.009 . . . . . . 117 LEU HB3 . 16273 1 1447 . 1 1 117 117 LEU HD11 H 1 0.773 0.004 . . . . . . 117 LEU HD11 . 16273 1 1448 . 1 1 117 117 LEU HD12 H 1 0.773 0.004 . . . . . . 117 LEU HD12 . 16273 1 1449 . 1 1 117 117 LEU HD13 H 1 0.773 0.004 . . . . . . 117 LEU HD13 . 16273 1 1450 . 1 1 117 117 LEU HD21 H 1 0.681 0.004 . . . . . . 117 LEU HD21 . 16273 1 1451 . 1 1 117 117 LEU HD22 H 1 0.681 0.004 . . . . . . 117 LEU HD22 . 16273 1 1452 . 1 1 117 117 LEU HD23 H 1 0.681 0.004 . . . . . . 117 LEU HD23 . 16273 1 1453 . 1 1 117 117 LEU HG H 1 1.599 0.007 . . . . . . 117 LEU HG . 16273 1 1454 . 1 1 117 117 LEU CA C 13 51.472 0.005 . . . . . . 117 LEU CA . 16273 1 1455 . 1 1 117 117 LEU CB C 13 43.693 0.009 . . . . . . 117 LEU CB . 16273 1 1456 . 1 1 117 117 LEU CD1 C 13 26.678 0.035 . . . . . . 117 LEU CD1 . 16273 1 1457 . 1 1 117 117 LEU CD2 C 13 23.975 0.016 . . . . . . 117 LEU CD2 . 16273 1 1458 . 1 1 117 117 LEU CG C 13 27.383 0.025 . . . . . . 117 LEU CG . 16273 1 1459 . 1 1 117 117 LEU N N 15 126.616 0.037 . . . . . . 117 LEU N . 16273 1 1460 . 1 1 118 118 PRO HA H 1 4.596 0.004 . . . . . . 118 PRO HA . 16273 1 1461 . 1 1 118 118 PRO HB2 H 1 2.388 0.004 . . . . . . 118 PRO HB2 . 16273 1 1462 . 1 1 118 118 PRO HB3 H 1 1.837 0.007 . . . . . . 118 PRO HB3 . 16273 1 1463 . 1 1 118 118 PRO HD2 H 1 3.445 0.012 . . . . . . 118 PRO HD2 . 16273 1 1464 . 1 1 118 118 PRO HD3 H 1 4.085 0.015 . . . . . . 118 PRO HD3 . 16273 1 1465 . 1 1 118 118 PRO HG2 H 1 2.089 0.007 . . . . . . 118 PRO HG2 . 16273 1 1466 . 1 1 118 118 PRO HG3 H 1 2.089 0.007 . . . . . . 118 PRO HG3 . 16273 1 1467 . 1 1 118 118 PRO C C 13 177.466 0.016 . . . . . . 118 PRO C . 16273 1 1468 . 1 1 118 118 PRO CA C 13 62.465 0.048 . . . . . . 118 PRO CA . 16273 1 1469 . 1 1 118 118 PRO CB C 13 32.311 0.038 . . . . . . 118 PRO CB . 16273 1 1470 . 1 1 118 118 PRO CD C 13 50.933 0.052 . . . . . . 118 PRO CD . 16273 1 1471 . 1 1 118 118 PRO CG C 13 28.184 0.054 . . . . . . 118 PRO CG . 16273 1 1472 . 1 1 119 119 PHE H H 1 8.963 0.004 . . . . . . 119 PHE H . 16273 1 1473 . 1 1 119 119 PHE HA H 1 4.229 0.006 . . . . . . 119 PHE HA . 16273 1 1474 . 1 1 119 119 PHE HB2 H 1 3.277 0.008 . . . . . . 119 PHE HB2 . 16273 1 1475 . 1 1 119 119 PHE HB3 H 1 2.830 0.008 . . . . . . 119 PHE HB3 . 16273 1 1476 . 1 1 119 119 PHE HD1 H 1 7.232 0.003 . . . . . . 119 PHE HD1 . 16273 1 1477 . 1 1 119 119 PHE HD2 H 1 7.232 0.003 . . . . . . 119 PHE HD2 . 16273 1 1478 . 1 1 119 119 PHE HE1 H 1 7.405 0.004 . . . . . . 119 PHE HE1 . 16273 1 1479 . 1 1 119 119 PHE HE2 H 1 7.405 0.004 . . . . . . 119 PHE HE2 . 16273 1 1480 . 1 1 119 119 PHE C C 13 176.437 0.006 . . . . . . 119 PHE C . 16273 1 1481 . 1 1 119 119 PHE CA C 13 59.683 0.086 . . . . . . 119 PHE CA . 16273 1 1482 . 1 1 119 119 PHE CB C 13 39.479 0.023 . . . . . . 119 PHE CB . 16273 1 1483 . 1 1 119 119 PHE CD1 C 13 132.204 0.064 . . . . . . 119 PHE CD1 . 16273 1 1484 . 1 1 119 119 PHE CD2 C 13 132.280 0.000 . . . . . . 119 PHE CD2 . 16273 1 1485 . 1 1 119 119 PHE CE1 C 13 131.800 0.000 . . . . . . 119 PHE CE1 . 16273 1 1486 . 1 1 119 119 PHE N N 15 123.184 0.044 . . . . . . 119 PHE N . 16273 1 1487 . 1 1 120 120 GLY H H 1 7.542 0.003 . . . . . . 120 GLY H . 16273 1 1488 . 1 1 120 120 GLY HA2 H 1 3.302 0.001 . . . . . . 120 GLY HA2 . 16273 1 1489 . 1 1 120 120 GLY HA3 H 1 4.561 0.004 . . . . . . 120 GLY HA3 . 16273 1 1490 . 1 1 120 120 GLY CA C 13 44.553 0.012 . . . . . . 120 GLY CA . 16273 1 1491 . 1 1 120 120 GLY N N 15 113.307 0.027 . . . . . . 120 GLY N . 16273 1 1492 . 1 1 122 122 HIS HA H 1 4.378 0.013 . . . . . . 122 HIS HA . 16273 1 1493 . 1 1 122 122 HIS HB2 H 1 3.111 0.012 . . . . . . 122 HIS HB2 . 16273 1 1494 . 1 1 122 122 HIS HB3 H 1 3.194 0.004 . . . . . . 122 HIS HB3 . 16273 1 1495 . 1 1 122 122 HIS HD2 H 1 7.117 0.005 . . . . . . 122 HIS HD2 . 16273 1 1496 . 1 1 122 122 HIS HE1 H 1 8.059 0.019 . . . . . . 122 HIS HE1 . 16273 1 1497 . 1 1 122 122 HIS C C 13 177.141 0.015 . . . . . . 122 HIS C . 16273 1 1498 . 1 1 122 122 HIS CA C 13 60.688 0.020 . . . . . . 122 HIS CA . 16273 1 1499 . 1 1 122 122 HIS CB C 13 30.311 0.029 . . . . . . 122 HIS CB . 16273 1 1500 . 1 1 122 122 HIS CD2 C 13 118.229 0.038 . . . . . . 122 HIS CD2 . 16273 1 1501 . 1 1 122 122 HIS CE1 C 13 114.272 0.040 . . . . . . 122 HIS CE1 . 16273 1 1502 . 1 1 123 123 THR H H 1 7.709 0.005 . . . . . . 123 THR H . 16273 1 1503 . 1 1 123 123 THR HA H 1 3.632 0.007 . . . . . . 123 THR HA . 16273 1 1504 . 1 1 123 123 THR HB H 1 4.221 0.011 . . . . . . 123 THR HB . 16273 1 1505 . 1 1 123 123 THR HG1 H 1 6.287 0.001 . . . . . . 123 THR HG1 . 16273 1 1506 . 1 1 123 123 THR HG21 H 1 1.031 0.006 . . . . . . 123 THR HG21 . 16273 1 1507 . 1 1 123 123 THR HG22 H 1 1.031 0.006 . . . . . . 123 THR HG22 . 16273 1 1508 . 1 1 123 123 THR HG23 H 1 1.031 0.006 . . . . . . 123 THR HG23 . 16273 1 1509 . 1 1 123 123 THR C C 13 175.799 0.023 . . . . . . 123 THR C . 16273 1 1510 . 1 1 123 123 THR CA C 13 66.436 0.044 . . . . . . 123 THR CA . 16273 1 1511 . 1 1 123 123 THR CB C 13 68.668 0.030 . . . . . . 123 THR CB . 16273 1 1512 . 1 1 123 123 THR CG2 C 13 23.847 0.027 . . . . . . 123 THR CG2 . 16273 1 1513 . 1 1 123 123 THR N N 15 117.875 0.040 . . . . . . 123 THR N . 16273 1 1514 . 1 1 124 124 ARG H H 1 7.727 0.005 . . . . . . 124 ARG H . 16273 1 1515 . 1 1 124 124 ARG HA H 1 3.891 0.009 . . . . . . 124 ARG HA . 16273 1 1516 . 1 1 124 124 ARG HB2 H 1 1.905 0.009 . . . . . . 124 ARG HB2 . 16273 1 1517 . 1 1 124 124 ARG HB3 H 1 1.905 0.009 . . . . . . 124 ARG HB3 . 16273 1 1518 . 1 1 124 124 ARG HD2 H 1 3.126 0.019 . . . . . . 124 ARG HD2 . 16273 1 1519 . 1 1 124 124 ARG HD3 H 1 3.178 0.019 . . . . . . 124 ARG HD3 . 16273 1 1520 . 1 1 124 124 ARG HG2 H 1 1.694 0.002 . . . . . . 124 ARG HG2 . 16273 1 1521 . 1 1 124 124 ARG HG3 H 1 1.599 0.004 . . . . . . 124 ARG HG3 . 16273 1 1522 . 1 1 124 124 ARG C C 13 178.564 0.001 . . . . . . 124 ARG C . 16273 1 1523 . 1 1 124 124 ARG CA C 13 59.349 0.053 . . . . . . 124 ARG CA . 16273 1 1524 . 1 1 124 124 ARG CB C 13 28.515 0.039 . . . . . . 124 ARG CB . 16273 1 1525 . 1 1 124 124 ARG CD C 13 42.404 0.032 . . . . . . 124 ARG CD . 16273 1 1526 . 1 1 124 124 ARG CG C 13 26.122 0.028 . . . . . . 124 ARG CG . 16273 1 1527 . 1 1 124 124 ARG N N 15 119.925 0.051 . . . . . . 124 ARG N . 16273 1 1528 . 1 1 125 125 THR H H 1 8.441 0.005 . . . . . . 125 THR H . 16273 1 1529 . 1 1 125 125 THR HA H 1 3.867 0.006 . . . . . . 125 THR HA . 16273 1 1530 . 1 1 125 125 THR HB H 1 4.170 0.010 . . . . . . 125 THR HB . 16273 1 1531 . 1 1 125 125 THR HG21 H 1 1.186 0.004 . . . . . . 125 THR HG21 . 16273 1 1532 . 1 1 125 125 THR HG22 H 1 1.186 0.004 . . . . . . 125 THR HG22 . 16273 1 1533 . 1 1 125 125 THR HG23 H 1 1.186 0.004 . . . . . . 125 THR HG23 . 16273 1 1534 . 1 1 125 125 THR C C 13 175.510 0.037 . . . . . . 125 THR C . 16273 1 1535 . 1 1 125 125 THR CA C 13 66.939 0.055 . . . . . . 125 THR CA . 16273 1 1536 . 1 1 125 125 THR CB C 13 68.392 0.044 . . . . . . 125 THR CB . 16273 1 1537 . 1 1 125 125 THR CG2 C 13 22.086 0.015 . . . . . . 125 THR CG2 . 16273 1 1538 . 1 1 125 125 THR N N 15 118.501 0.038 . . . . . . 125 THR N . 16273 1 1539 . 1 1 126 126 PHE H H 1 8.393 0.007 . . . . . . 126 PHE H . 16273 1 1540 . 1 1 126 126 PHE HA H 1 3.801 0.004 . . . . . . 126 PHE HA . 16273 1 1541 . 1 1 126 126 PHE HB2 H 1 2.566 0.009 . . . . . . 126 PHE HB2 . 16273 1 1542 . 1 1 126 126 PHE HB3 H 1 3.321 0.009 . . . . . . 126 PHE HB3 . 16273 1 1543 . 1 1 126 126 PHE HD1 H 1 6.836 0.006 . . . . . . 126 PHE HD1 . 16273 1 1544 . 1 1 126 126 PHE HD2 H 1 6.836 0.006 . . . . . . 126 PHE HD2 . 16273 1 1545 . 1 1 126 126 PHE HE1 H 1 6.787 0.006 . . . . . . 126 PHE HE1 . 16273 1 1546 . 1 1 126 126 PHE HE2 H 1 6.787 0.006 . . . . . . 126 PHE HE2 . 16273 1 1547 . 1 1 126 126 PHE HZ H 1 6.689 0.006 . . . . . . 126 PHE HZ . 16273 1 1548 . 1 1 126 126 PHE C C 13 175.651 0.021 . . . . . . 126 PHE C . 16273 1 1549 . 1 1 126 126 PHE CA C 13 62.542 0.043 . . . . . . 126 PHE CA . 16273 1 1550 . 1 1 126 126 PHE CB C 13 38.766 0.037 . . . . . . 126 PHE CB . 16273 1 1551 . 1 1 126 126 PHE CD1 C 13 132.110 0.027 . . . . . . 126 PHE CD1 . 16273 1 1552 . 1 1 126 126 PHE CE1 C 13 130.301 0.052 . . . . . . 126 PHE CE1 . 16273 1 1553 . 1 1 126 126 PHE CZ C 13 129.662 0.018 . . . . . . 126 PHE CZ . 16273 1 1554 . 1 1 126 126 PHE N N 15 123.173 0.072 . . . . . . 126 PHE N . 16273 1 1555 . 1 1 127 127 LEU H H 1 8.356 0.004 . . . . . . 127 LEU H . 16273 1 1556 . 1 1 127 127 LEU HA H 1 3.641 0.008 . . . . . . 127 LEU HA . 16273 1 1557 . 1 1 127 127 LEU HB2 H 1 1.442 0.009 . . . . . . 127 LEU HB2 . 16273 1 1558 . 1 1 127 127 LEU HB3 H 1 1.931 0.006 . . . . . . 127 LEU HB3 . 16273 1 1559 . 1 1 127 127 LEU HD11 H 1 0.771 0.012 . . . . . . 127 LEU HD11 . 16273 1 1560 . 1 1 127 127 LEU HD12 H 1 0.771 0.012 . . . . . . 127 LEU HD12 . 16273 1 1561 . 1 1 127 127 LEU HD13 H 1 0.771 0.012 . . . . . . 127 LEU HD13 . 16273 1 1562 . 1 1 127 127 LEU HD21 H 1 0.845 0.008 . . . . . . 127 LEU HD21 . 16273 1 1563 . 1 1 127 127 LEU HD22 H 1 0.845 0.008 . . . . . . 127 LEU HD22 . 16273 1 1564 . 1 1 127 127 LEU HD23 H 1 0.845 0.008 . . . . . . 127 LEU HD23 . 16273 1 1565 . 1 1 127 127 LEU HG H 1 2.007 0.018 . . . . . . 127 LEU HG . 16273 1 1566 . 1 1 127 127 LEU C C 13 179.988 0.005 . . . . . . 127 LEU C . 16273 1 1567 . 1 1 127 127 LEU CA C 13 58.039 0.081 . . . . . . 127 LEU CA . 16273 1 1568 . 1 1 127 127 LEU CB C 13 40.853 0.017 . . . . . . 127 LEU CB . 16273 1 1569 . 1 1 127 127 LEU CD1 C 13 25.729 0.001 . . . . . . 127 LEU CD1 . 16273 1 1570 . 1 1 127 127 LEU CD2 C 13 22.921 0.033 . . . . . . 127 LEU CD2 . 16273 1 1571 . 1 1 127 127 LEU CG C 13 26.890 0.000 . . . . . . 127 LEU CG . 16273 1 1572 . 1 1 127 127 LEU N N 15 118.133 0.039 . . . . . . 127 LEU N . 16273 1 1573 . 1 1 128 128 GLN H H 1 8.120 0.006 . . . . . . 128 GLN H . 16273 1 1574 . 1 1 128 128 GLN HA H 1 3.993 0.008 . . . . . . 128 GLN HA . 16273 1 1575 . 1 1 128 128 GLN HB2 H 1 2.047 0.006 . . . . . . 128 GLN HB2 . 16273 1 1576 . 1 1 128 128 GLN HB3 H 1 2.252 0.005 . . . . . . 128 GLN HB3 . 16273 1 1577 . 1 1 128 128 GLN HE21 H 1 7.427 0.002 . . . . . . 128 GLN HE21 . 16273 1 1578 . 1 1 128 128 GLN HE22 H 1 6.799 0.002 . . . . . . 128 GLN HE22 . 16273 1 1579 . 1 1 128 128 GLN HG2 H 1 2.466 0.006 . . . . . . 128 GLN HG2 . 16273 1 1580 . 1 1 128 128 GLN HG3 H 1 2.269 0.006 . . . . . . 128 GLN HG3 . 16273 1 1581 . 1 1 128 128 GLN C C 13 178.803 0.014 . . . . . . 128 GLN C . 16273 1 1582 . 1 1 128 128 GLN CA C 13 58.988 0.114 . . . . . . 128 GLN CA . 16273 1 1583 . 1 1 128 128 GLN CB C 13 28.675 0.050 . . . . . . 128 GLN CB . 16273 1 1584 . 1 1 128 128 GLN CG C 13 34.271 0.003 . . . . . . 128 GLN CG . 16273 1 1585 . 1 1 128 128 GLN N N 15 120.177 0.096 . . . . . . 128 GLN N . 16273 1 1586 . 1 1 128 128 GLN NE2 N 15 111.091 0.054 . . . . . . 128 GLN NE2 . 16273 1 1587 . 1 1 129 129 GLU H H 1 8.513 0.005 . . . . . . 129 GLU H . 16273 1 1588 . 1 1 129 129 GLU HA H 1 3.933 0.007 . . . . . . 129 GLU HA . 16273 1 1589 . 1 1 129 129 GLU HB2 H 1 1.715 0.006 . . . . . . 129 GLU HB2 . 16273 1 1590 . 1 1 129 129 GLU HB3 H 1 1.715 0.006 . . . . . . 129 GLU HB3 . 16273 1 1591 . 1 1 129 129 GLU HG2 H 1 1.980 0.006 . . . . . . 129 GLU HG2 . 16273 1 1592 . 1 1 129 129 GLU HG3 H 1 2.365 0.003 . . . . . . 129 GLU HG3 . 16273 1 1593 . 1 1 129 129 GLU C C 13 179.727 0.045 . . . . . . 129 GLU C . 16273 1 1594 . 1 1 129 129 GLU CA C 13 58.398 0.040 . . . . . . 129 GLU CA . 16273 1 1595 . 1 1 129 129 GLU CB C 13 28.758 0.077 . . . . . . 129 GLU CB . 16273 1 1596 . 1 1 129 129 GLU CG C 13 35.362 0.013 . . . . . . 129 GLU CG . 16273 1 1597 . 1 1 129 129 GLU N N 15 119.854 0.050 . . . . . . 129 GLU N . 16273 1 1598 . 1 1 130 130 VAL H H 1 8.117 0.008 . . . . . . 130 VAL H . 16273 1 1599 . 1 1 130 130 VAL HA H 1 3.061 0.004 . . . . . . 130 VAL HA . 16273 1 1600 . 1 1 130 130 VAL HB H 1 1.744 0.006 . . . . . . 130 VAL HB . 16273 1 1601 . 1 1 130 130 VAL HG11 H 1 0.783 0.004 . . . . . . 130 VAL HG11 . 16273 1 1602 . 1 1 130 130 VAL HG12 H 1 0.783 0.004 . . . . . . 130 VAL HG12 . 16273 1 1603 . 1 1 130 130 VAL HG13 H 1 0.783 0.004 . . . . . . 130 VAL HG13 . 16273 1 1604 . 1 1 130 130 VAL HG21 H 1 0.163 0.004 . . . . . . 130 VAL HG21 . 16273 1 1605 . 1 1 130 130 VAL HG22 H 1 0.163 0.004 . . . . . . 130 VAL HG22 . 16273 1 1606 . 1 1 130 130 VAL HG23 H 1 0.163 0.004 . . . . . . 130 VAL HG23 . 16273 1 1607 . 1 1 130 130 VAL C C 13 177.291 0.015 . . . . . . 130 VAL C . 16273 1 1608 . 1 1 130 130 VAL CA C 13 66.815 0.045 . . . . . . 130 VAL CA . 16273 1 1609 . 1 1 130 130 VAL CB C 13 31.263 0.020 . . . . . . 130 VAL CB . 16273 1 1610 . 1 1 130 130 VAL CG1 C 13 22.696 0.026 . . . . . . 130 VAL CG1 . 16273 1 1611 . 1 1 130 130 VAL CG2 C 13 23.598 0.039 . . . . . . 130 VAL CG2 . 16273 1 1612 . 1 1 130 130 VAL N N 15 119.684 0.071 . . . . . . 130 VAL N . 16273 1 1613 . 1 1 131 131 ALA H H 1 7.674 0.006 . . . . . . 131 ALA H . 16273 1 1614 . 1 1 131 131 ALA HA H 1 4.131 0.009 . . . . . . 131 ALA HA . 16273 1 1615 . 1 1 131 131 ALA HB1 H 1 1.473 0.009 . . . . . . 131 ALA HB1 . 16273 1 1616 . 1 1 131 131 ALA HB2 H 1 1.473 0.009 . . . . . . 131 ALA HB2 . 16273 1 1617 . 1 1 131 131 ALA HB3 H 1 1.473 0.009 . . . . . . 131 ALA HB3 . 16273 1 1618 . 1 1 131 131 ALA C C 13 181.151 0.007 . . . . . . 131 ALA C . 16273 1 1619 . 1 1 131 131 ALA CA C 13 55.784 0.029 . . . . . . 131 ALA CA . 16273 1 1620 . 1 1 131 131 ALA CB C 13 17.954 0.045 . . . . . . 131 ALA CB . 16273 1 1621 . 1 1 131 131 ALA N N 15 119.993 0.057 . . . . . . 131 ALA N . 16273 1 1622 . 1 1 132 132 ARG H H 1 7.757 0.007 . . . . . . 132 ARG H . 16273 1 1623 . 1 1 132 132 ARG HA H 1 3.838 0.006 . . . . . . 132 ARG HA . 16273 1 1624 . 1 1 132 132 ARG HB2 H 1 1.718 0.007 . . . . . . 132 ARG HB2 . 16273 1 1625 . 1 1 132 132 ARG HB3 H 1 1.718 0.007 . . . . . . 132 ARG HB3 . 16273 1 1626 . 1 1 132 132 ARG HD2 H 1 3.033 0.003 . . . . . . 132 ARG HD2 . 16273 1 1627 . 1 1 132 132 ARG HD3 H 1 3.081 0.008 . . . . . . 132 ARG HD3 . 16273 1 1628 . 1 1 132 132 ARG HG2 H 1 1.651 0.004 . . . . . . 132 ARG HG2 . 16273 1 1629 . 1 1 132 132 ARG HG3 H 1 1.555 0.005 . . . . . . 132 ARG HG3 . 16273 1 1630 . 1 1 132 132 ARG C C 13 176.473 0.018 . . . . . . 132 ARG C . 16273 1 1631 . 1 1 132 132 ARG CA C 13 57.960 0.042 . . . . . . 132 ARG CA . 16273 1 1632 . 1 1 132 132 ARG CB C 13 30.402 0.045 . . . . . . 132 ARG CB . 16273 1 1633 . 1 1 132 132 ARG CD C 13 43.582 0.066 . . . . . . 132 ARG CD . 16273 1 1634 . 1 1 132 132 ARG CG C 13 27.514 0.124 . . . . . . 132 ARG CG . 16273 1 1635 . 1 1 132 132 ARG N N 15 115.893 0.032 . . . . . . 132 ARG N . 16273 1 1636 . 1 1 133 133 ALA H H 1 7.237 0.004 . . . . . . 133 ALA H . 16273 1 1637 . 1 1 133 133 ALA HA H 1 3.797 0.008 . . . . . . 133 ALA HA . 16273 1 1638 . 1 1 133 133 ALA HB1 H 1 0.458 0.005 . . . . . . 133 ALA HB1 . 16273 1 1639 . 1 1 133 133 ALA HB2 H 1 0.458 0.005 . . . . . . 133 ALA HB2 . 16273 1 1640 . 1 1 133 133 ALA HB3 H 1 0.458 0.005 . . . . . . 133 ALA HB3 . 16273 1 1641 . 1 1 133 133 ALA C C 13 176.758 0.017 . . . . . . 133 ALA C . 16273 1 1642 . 1 1 133 133 ALA CA C 13 52.273 0.056 . . . . . . 133 ALA CA . 16273 1 1643 . 1 1 133 133 ALA CB C 13 18.298 0.032 . . . . . . 133 ALA CB . 16273 1 1644 . 1 1 133 133 ALA N N 15 120.200 0.013 . . . . . . 133 ALA N . 16273 1 1645 . 1 1 134 134 CYS H H 1 7.118 0.006 . . . . . . 134 CYS H . 16273 1 1646 . 1 1 134 134 CYS HA H 1 4.340 0.009 . . . . . . 134 CYS HA . 16273 1 1647 . 1 1 134 134 CYS HB2 H 1 3.093 0.009 . . . . . . 134 CYS HB2 . 16273 1 1648 . 1 1 134 134 CYS HB3 H 1 3.093 0.009 . . . . . . 134 CYS HB3 . 16273 1 1649 . 1 1 134 134 CYS CA C 13 59.939 0.001 . . . . . . 134 CYS CA . 16273 1 1650 . 1 1 134 134 CYS CB C 13 27.135 0.037 . . . . . . 134 CYS CB . 16273 1 1651 . 1 1 134 134 CYS N N 15 118.768 0.042 . . . . . . 134 CYS N . 16273 1 1652 . 1 1 135 135 PRO HA H 1 4.489 0.015 . . . . . . 135 PRO HA . 16273 1 1653 . 1 1 135 135 PRO HB2 H 1 2.468 0.006 . . . . . . 135 PRO HB2 . 16273 1 1654 . 1 1 135 135 PRO HB3 H 1 1.997 0.005 . . . . . . 135 PRO HB3 . 16273 1 1655 . 1 1 135 135 PRO HD2 H 1 3.679 0.012 . . . . . . 135 PRO HD2 . 16273 1 1656 . 1 1 135 135 PRO HD3 H 1 4.018 0.008 . . . . . . 135 PRO HD3 . 16273 1 1657 . 1 1 135 135 PRO HG2 H 1 2.220 0.007 . . . . . . 135 PRO HG2 . 16273 1 1658 . 1 1 135 135 PRO HG3 H 1 1.945 0.003 . . . . . . 135 PRO HG3 . 16273 1 1659 . 1 1 135 135 PRO C C 13 177.323 0.008 . . . . . . 135 PRO C . 16273 1 1660 . 1 1 135 135 PRO CA C 13 64.283 0.027 . . . . . . 135 PRO CA . 16273 1 1661 . 1 1 135 135 PRO CB C 13 32.099 0.041 . . . . . . 135 PRO CB . 16273 1 1662 . 1 1 135 135 PRO CD C 13 51.370 0.072 . . . . . . 135 PRO CD . 16273 1 1663 . 1 1 135 135 PRO CG C 13 27.968 0.028 . . . . . . 135 PRO CG . 16273 1 1664 . 1 1 136 136 GLY H H 1 8.487 0.005 . . . . . . 136 GLY H . 16273 1 1665 . 1 1 136 136 GLY HA2 H 1 3.984 0.009 . . . . . . 136 GLY HA2 . 16273 1 1666 . 1 1 136 136 GLY HA3 H 1 3.842 0.008 . . . . . . 136 GLY HA3 . 16273 1 1667 . 1 1 136 136 GLY C C 13 173.370 0.079 . . . . . . 136 GLY C . 16273 1 1668 . 1 1 136 136 GLY CA C 13 45.058 0.017 . . . . . . 136 GLY CA . 16273 1 1669 . 1 1 136 136 GLY N N 15 107.203 0.045 . . . . . . 136 GLY N . 16273 1 1670 . 1 1 137 137 PHE H H 1 7.885 0.003 . . . . . . 137 PHE H . 16273 1 1671 . 1 1 137 137 PHE HA H 1 4.591 0.009 . . . . . . 137 PHE HA . 16273 1 1672 . 1 1 137 137 PHE HB2 H 1 3.074 0.009 . . . . . . 137 PHE HB2 . 16273 1 1673 . 1 1 137 137 PHE HB3 H 1 3.231 0.009 . . . . . . 137 PHE HB3 . 16273 1 1674 . 1 1 137 137 PHE HD1 H 1 7.292 0.002 . . . . . . 137 PHE HD1 . 16273 1 1675 . 1 1 137 137 PHE HD2 H 1 7.292 0.002 . . . . . . 137 PHE HD2 . 16273 1 1676 . 1 1 137 137 PHE HE1 H 1 7.393 0.004 . . . . . . 137 PHE HE1 . 16273 1 1677 . 1 1 137 137 PHE HE2 H 1 7.393 0.004 . . . . . . 137 PHE HE2 . 16273 1 1678 . 1 1 137 137 PHE C C 13 175.968 0.019 . . . . . . 137 PHE C . 16273 1 1679 . 1 1 137 137 PHE CA C 13 58.086 0.020 . . . . . . 137 PHE CA . 16273 1 1680 . 1 1 137 137 PHE CB C 13 39.279 0.058 . . . . . . 137 PHE CB . 16273 1 1681 . 1 1 137 137 PHE CD1 C 13 131.800 0.000 . . . . . . 137 PHE CD1 . 16273 1 1682 . 1 1 137 137 PHE CD2 C 13 131.800 0.000 . . . . . . 137 PHE CD2 . 16273 1 1683 . 1 1 137 137 PHE CE1 C 13 131.797 0.005 . . . . . . 137 PHE CE1 . 16273 1 1684 . 1 1 137 137 PHE CE2 C 13 131.800 0.000 . . . . . . 137 PHE CE2 . 16273 1 1685 . 1 1 137 137 PHE N N 15 116.883 0.045 . . . . . . 137 PHE N . 16273 1 1686 . 1 1 138 138 ASP H H 1 7.956 0.005 . . . . . . 138 ASP H . 16273 1 1687 . 1 1 138 138 ASP HA H 1 4.864 0.007 . . . . . . 138 ASP HA . 16273 1 1688 . 1 1 138 138 ASP HB2 H 1 2.603 0.009 . . . . . . 138 ASP HB2 . 16273 1 1689 . 1 1 138 138 ASP HB3 H 1 2.851 0.010 . . . . . . 138 ASP HB3 . 16273 1 1690 . 1 1 138 138 ASP CA C 13 52.219 0.012 . . . . . . 138 ASP CA . 16273 1 1691 . 1 1 138 138 ASP CB C 13 41.692 0.127 . . . . . . 138 ASP CB . 16273 1 1692 . 1 1 138 138 ASP N N 15 121.924 0.061 . . . . . . 138 ASP N . 16273 1 1693 . 1 1 139 139 PRO HA H 1 4.387 0.004 . . . . . . 139 PRO HA . 16273 1 1694 . 1 1 139 139 PRO HB2 H 1 2.372 0.004 . . . . . . 139 PRO HB2 . 16273 1 1695 . 1 1 139 139 PRO HB3 H 1 1.998 0.007 . . . . . . 139 PRO HB3 . 16273 1 1696 . 1 1 139 139 PRO HD2 H 1 3.881 0.005 . . . . . . 139 PRO HD2 . 16273 1 1697 . 1 1 139 139 PRO HD3 H 1 3.814 0.011 . . . . . . 139 PRO HD3 . 16273 1 1698 . 1 1 139 139 PRO HG2 H 1 2.054 0.006 . . . . . . 139 PRO HG2 . 16273 1 1699 . 1 1 139 139 PRO HG3 H 1 2.054 0.006 . . . . . . 139 PRO HG3 . 16273 1 1700 . 1 1 139 139 PRO C C 13 177.510 0.006 . . . . . . 139 PRO C . 16273 1 1701 . 1 1 139 139 PRO CA C 13 64.429 0.028 . . . . . . 139 PRO CA . 16273 1 1702 . 1 1 139 139 PRO CB C 13 32.350 0.029 . . . . . . 139 PRO CB . 16273 1 1703 . 1 1 139 139 PRO CD C 13 51.044 0.008 . . . . . . 139 PRO CD . 16273 1 1704 . 1 1 139 139 PRO CG C 13 27.337 0.033 . . . . . . 139 PRO CG . 16273 1 1705 . 1 1 140 140 GLU H H 1 8.470 0.004 . . . . . . 140 GLU H . 16273 1 1706 . 1 1 140 140 GLU HA H 1 4.253 0.001 . . . . . . 140 GLU HA . 16273 1 1707 . 1 1 140 140 GLU HB2 H 1 2.010 0.004 . . . . . . 140 GLU HB2 . 16273 1 1708 . 1 1 140 140 GLU HB3 H 1 1.905 0.006 . . . . . . 140 GLU HB3 . 16273 1 1709 . 1 1 140 140 GLU HG2 H 1 2.173 0.003 . . . . . . 140 GLU HG2 . 16273 1 1710 . 1 1 140 140 GLU HG3 H 1 2.173 0.003 . . . . . . 140 GLU HG3 . 16273 1 1711 . 1 1 140 140 GLU C C 13 176.990 0.013 . . . . . . 140 GLU C . 16273 1 1712 . 1 1 140 140 GLU CA C 13 56.731 0.052 . . . . . . 140 GLU CA . 16273 1 1713 . 1 1 140 140 GLU CB C 13 29.508 0.047 . . . . . . 140 GLU CB . 16273 1 1714 . 1 1 140 140 GLU N N 15 116.150 0.046 . . . . . . 140 GLU N . 16273 1 1715 . 1 1 141 141 THR H H 1 7.629 0.005 . . . . . . 141 THR H . 16273 1 1716 . 1 1 141 141 THR HA H 1 4.218 0.005 . . . . . . 141 THR HA . 16273 1 1717 . 1 1 141 141 THR HB H 1 4.170 0.007 . . . . . . 141 THR HB . 16273 1 1718 . 1 1 141 141 THR HG21 H 1 1.334 0.009 . . . . . . 141 THR HG21 . 16273 1 1719 . 1 1 141 141 THR HG22 H 1 1.334 0.009 . . . . . . 141 THR HG22 . 16273 1 1720 . 1 1 141 141 THR HG23 H 1 1.334 0.009 . . . . . . 141 THR HG23 . 16273 1 1721 . 1 1 141 141 THR C C 13 174.494 0.000 . . . . . . 141 THR C . 16273 1 1722 . 1 1 141 141 THR CA C 13 62.479 0.042 . . . . . . 141 THR CA . 16273 1 1723 . 1 1 141 141 THR CB C 13 69.831 0.002 . . . . . . 141 THR CB . 16273 1 1724 . 1 1 141 141 THR CG2 C 13 22.021 0.057 . . . . . . 141 THR CG2 . 16273 1 1725 . 1 1 141 141 THR N N 15 115.711 0.033 . . . . . . 141 THR N . 16273 1 1726 . 1 1 142 142 ARG H H 1 8.585 0.006 . . . . . . 142 ARG H . 16273 1 1727 . 1 1 142 142 ARG HA H 1 4.202 0.007 . . . . . . 142 ARG HA . 16273 1 1728 . 1 1 142 142 ARG HB2 H 1 1.813 0.004 . . . . . . 142 ARG HB2 . 16273 1 1729 . 1 1 142 142 ARG HB3 H 1 1.755 0.003 . . . . . . 142 ARG HB3 . 16273 1 1730 . 1 1 142 142 ARG HD2 H 1 3.146 0.006 . . . . . . 142 ARG HD2 . 16273 1 1731 . 1 1 142 142 ARG HD3 H 1 3.146 0.006 . . . . . . 142 ARG HD3 . 16273 1 1732 . 1 1 142 142 ARG HG2 H 1 1.536 0.010 . . . . . . 142 ARG HG2 . 16273 1 1733 . 1 1 142 142 ARG HG3 H 1 1.536 0.010 . . . . . . 142 ARG HG3 . 16273 1 1734 . 1 1 142 142 ARG C C 13 175.786 0.006 . . . . . . 142 ARG C . 16273 1 1735 . 1 1 142 142 ARG CA C 13 56.109 0.037 . . . . . . 142 ARG CA . 16273 1 1736 . 1 1 142 142 ARG CB C 13 30.931 0.031 . . . . . . 142 ARG CB . 16273 1 1737 . 1 1 142 142 ARG CG C 13 27.190 0.000 . . . . . . 142 ARG CG . 16273 1 1738 . 1 1 142 142 ARG N N 15 127.015 0.036 . . . . . . 142 ARG N . 16273 1 1739 . 1 1 143 143 ASP H H 1 8.624 0.005 . . . . . . 143 ASP H . 16273 1 1740 . 1 1 143 143 ASP HA H 1 4.830 0.009 . . . . . . 143 ASP HA . 16273 1 1741 . 1 1 143 143 ASP HB2 H 1 2.676 0.008 . . . . . . 143 ASP HB2 . 16273 1 1742 . 1 1 143 143 ASP HB3 H 1 2.531 0.008 . . . . . . 143 ASP HB3 . 16273 1 1743 . 1 1 143 143 ASP CA C 13 52.730 0.000 . . . . . . 143 ASP CA . 16273 1 1744 . 1 1 143 143 ASP CB C 13 40.533 0.018 . . . . . . 143 ASP CB . 16273 1 1745 . 1 1 143 143 ASP N N 15 125.690 0.040 . . . . . . 143 ASP N . 16273 1 1746 . 1 1 144 144 PRO HA H 1 4.314 0.002 . . . . . . 144 PRO HA . 16273 1 1747 . 1 1 144 144 PRO HB2 H 1 1.093 0.003 . . . . . . 144 PRO HB2 . 16273 1 1748 . 1 1 144 144 PRO HB3 H 1 1.971 0.001 . . . . . . 144 PRO HB3 . 16273 1 1749 . 1 1 144 144 PRO HD2 H 1 3.971 0.001 . . . . . . 144 PRO HD2 . 16273 1 1750 . 1 1 144 144 PRO HD3 H 1 4.049 0.002 . . . . . . 144 PRO HD3 . 16273 1 1751 . 1 1 144 144 PRO HG2 H 1 2.223 0.007 . . . . . . 144 PRO HG2 . 16273 1 1752 . 1 1 144 144 PRO HG3 H 1 2.223 0.007 . . . . . . 144 PRO HG3 . 16273 1 1753 . 1 1 144 144 PRO C C 13 176.306 0.013 . . . . . . 144 PRO C . 16273 1 1754 . 1 1 144 144 PRO CA C 13 62.252 0.011 . . . . . . 144 PRO CA . 16273 1 1755 . 1 1 144 144 PRO CB C 13 31.768 0.002 . . . . . . 144 PRO CB . 16273 1 1756 . 1 1 144 144 PRO CD C 13 50.180 0.000 . . . . . . 144 PRO CD . 16273 1 1757 . 1 1 144 144 PRO CG C 13 28.118 0.027 . . . . . . 144 PRO CG . 16273 1 1758 . 1 1 145 145 GLU H H 1 8.944 0.003 . . . . . . 145 GLU H . 16273 1 1759 . 1 1 145 145 GLU HA H 1 4.316 0.012 . . . . . . 145 GLU HA . 16273 1 1760 . 1 1 145 145 GLU HB2 H 1 2.029 0.000 . . . . . . 145 GLU HB2 . 16273 1 1761 . 1 1 145 145 GLU HB3 H 1 2.029 0.000 . . . . . . 145 GLU HB3 . 16273 1 1762 . 1 1 145 145 GLU HG2 H 1 2.154 0.019 . . . . . . 145 GLU HG2 . 16273 1 1763 . 1 1 145 145 GLU HG3 H 1 2.154 0.019 . . . . . . 145 GLU HG3 . 16273 1 1764 . 1 1 145 145 GLU C C 13 177.226 0.000 . . . . . . 145 GLU C . 16273 1 1765 . 1 1 145 145 GLU CA C 13 57.202 0.003 . . . . . . 145 GLU CA . 16273 1 1766 . 1 1 145 145 GLU CB C 13 31.905 0.000 . . . . . . 145 GLU CB . 16273 1 1767 . 1 1 145 145 GLU N N 15 120.509 0.030 . . . . . . 145 GLU N . 16273 1 1768 . 1 1 146 146 PHE H H 1 9.324 0.006 . . . . . . 146 PHE H . 16273 1 1769 . 1 1 146 146 PHE HA H 1 3.963 0.009 . . . . . . 146 PHE HA . 16273 1 1770 . 1 1 146 146 PHE HB2 H 1 2.980 0.006 . . . . . . 146 PHE HB2 . 16273 1 1771 . 1 1 146 146 PHE HB3 H 1 2.938 0.006 . . . . . . 146 PHE HB3 . 16273 1 1772 . 1 1 146 146 PHE HD1 H 1 7.560 0.005 . . . . . . 146 PHE HD1 . 16273 1 1773 . 1 1 146 146 PHE HD2 H 1 7.560 0.005 . . . . . . 146 PHE HD2 . 16273 1 1774 . 1 1 146 146 PHE HE1 H 1 6.905 0.007 . . . . . . 146 PHE HE1 . 16273 1 1775 . 1 1 146 146 PHE HE2 H 1 6.905 0.007 . . . . . . 146 PHE HE2 . 16273 1 1776 . 1 1 146 146 PHE HZ H 1 7.257 0.010 . . . . . . 146 PHE HZ . 16273 1 1777 . 1 1 146 146 PHE C C 13 177.149 0.000 . . . . . . 146 PHE C . 16273 1 1778 . 1 1 146 146 PHE CA C 13 59.322 0.095 . . . . . . 146 PHE CA . 16273 1 1779 . 1 1 146 146 PHE CB C 13 35.660 0.020 . . . . . . 146 PHE CB . 16273 1 1780 . 1 1 146 146 PHE CD1 C 13 131.726 0.022 . . . . . . 146 PHE CD1 . 16273 1 1781 . 1 1 146 146 PHE CD2 C 13 131.747 0.000 . . . . . . 146 PHE CD2 . 16273 1 1782 . 1 1 146 146 PHE CE1 C 13 131.729 0.054 . . . . . . 146 PHE CE1 . 16273 1 1783 . 1 1 146 146 PHE CE2 C 13 131.722 0.000 . . . . . . 146 PHE CE2 . 16273 1 1784 . 1 1 146 146 PHE CZ C 13 130.000 0.000 . . . . . . 146 PHE CZ . 16273 1 1785 . 1 1 146 146 PHE N N 15 115.501 0.009 . . . . . . 146 PHE N . 16273 1 1786 . 1 1 147 147 GLU H H 1 9.212 0.011 . . . . . . 147 GLU H . 16273 1 1787 . 1 1 147 147 GLU HA H 1 4.082 0.007 . . . . . . 147 GLU HA . 16273 1 1788 . 1 1 147 147 GLU HB2 H 1 2.080 0.005 . . . . . . 147 GLU HB2 . 16273 1 1789 . 1 1 147 147 GLU HB3 H 1 2.144 0.011 . . . . . . 147 GLU HB3 . 16273 1 1790 . 1 1 147 147 GLU HG2 H 1 2.368 0.007 . . . . . . 147 GLU HG2 . 16273 1 1791 . 1 1 147 147 GLU HG3 H 1 2.286 0.004 . . . . . . 147 GLU HG3 . 16273 1 1792 . 1 1 147 147 GLU C C 13 177.752 0.000 . . . . . . 147 GLU C . 16273 1 1793 . 1 1 147 147 GLU CA C 13 59.892 0.125 . . . . . . 147 GLU CA . 16273 1 1794 . 1 1 147 147 GLU CB C 13 29.337 0.007 . . . . . . 147 GLU CB . 16273 1 1795 . 1 1 147 147 GLU CG C 13 36.517 0.060 . . . . . . 147 GLU CG . 16273 1 1796 . 1 1 147 147 GLU N N 15 122.508 0.029 . . . . . . 147 GLU N . 16273 1 1797 . 1 1 148 148 TRP H H 1 7.341 0.005 . . . . . . 148 TRP H . 16273 1 1798 . 1 1 148 148 TRP HA H 1 4.181 0.000 . . . . . . 148 TRP HA . 16273 1 1799 . 1 1 148 148 TRP HB2 H 1 2.981 0.013 . . . . . . 148 TRP HB2 . 16273 1 1800 . 1 1 148 148 TRP HB3 H 1 2.981 0.013 . . . . . . 148 TRP HB3 . 16273 1 1801 . 1 1 148 148 TRP HD1 H 1 7.224 0.006 . . . . . . 148 TRP HD1 . 16273 1 1802 . 1 1 148 148 TRP HE1 H 1 11.109 0.011 . . . . . . 148 TRP HE1 . 16273 1 1803 . 1 1 148 148 TRP HE3 H 1 7.824 0.009 . . . . . . 148 TRP HE3 . 16273 1 1804 . 1 1 148 148 TRP HH2 H 1 7.002 0.008 . . . . . . 148 TRP HH2 . 16273 1 1805 . 1 1 148 148 TRP HZ2 H 1 7.105 0.007 . . . . . . 148 TRP HZ2 . 16273 1 1806 . 1 1 148 148 TRP HZ3 H 1 6.881 0.013 . . . . . . 148 TRP HZ3 . 16273 1 1807 . 1 1 148 148 TRP C C 13 177.394 0.000 . . . . . . 148 TRP C . 16273 1 1808 . 1 1 148 148 TRP CA C 13 55.329 0.000 . . . . . . 148 TRP CA . 16273 1 1809 . 1 1 148 148 TRP CD1 C 13 126.864 0.033 . . . . . . 148 TRP CD1 . 16273 1 1810 . 1 1 148 148 TRP CE3 C 13 122.735 0.049 . . . . . . 148 TRP CE3 . 16273 1 1811 . 1 1 148 148 TRP CH2 C 13 124.921 0.024 . . . . . . 148 TRP CH2 . 16273 1 1812 . 1 1 148 148 TRP CZ2 C 13 112.918 0.026 . . . . . . 148 TRP CZ2 . 16273 1 1813 . 1 1 148 148 TRP CZ3 C 13 122.485 0.023 . . . . . . 148 TRP CZ3 . 16273 1 1814 . 1 1 148 148 TRP N N 15 115.221 0.090 . . . . . . 148 TRP N . 16273 1 1815 . 1 1 148 148 TRP NE1 N 15 133.081 0.055 . . . . . . 148 TRP NE1 . 16273 1 1816 . 1 1 149 149 LEU H H 1 6.608 0.005 . . . . . . 149 LEU H . 16273 1 1817 . 1 1 149 149 LEU HA H 1 3.840 0.011 . . . . . . 149 LEU HA . 16273 1 1818 . 1 1 149 149 LEU HB2 H 1 1.556 0.007 . . . . . . 149 LEU HB2 . 16273 1 1819 . 1 1 149 149 LEU HB3 H 1 1.099 0.010 . . . . . . 149 LEU HB3 . 16273 1 1820 . 1 1 149 149 LEU HD11 H 1 -0.239 0.008 . . . . . . 149 LEU HD11 . 16273 1 1821 . 1 1 149 149 LEU HD12 H 1 -0.239 0.008 . . . . . . 149 LEU HD12 . 16273 1 1822 . 1 1 149 149 LEU HD13 H 1 -0.239 0.008 . . . . . . 149 LEU HD13 . 16273 1 1823 . 1 1 149 149 LEU HD21 H 1 0.290 0.009 . . . . . . 149 LEU HD21 . 16273 1 1824 . 1 1 149 149 LEU HD22 H 1 0.290 0.009 . . . . . . 149 LEU HD22 . 16273 1 1825 . 1 1 149 149 LEU HD23 H 1 0.290 0.009 . . . . . . 149 LEU HD23 . 16273 1 1826 . 1 1 149 149 LEU HG H 1 1.283 0.001 . . . . . . 149 LEU HG . 16273 1 1827 . 1 1 149 149 LEU C C 13 178.884 0.011 . . . . . . 149 LEU C . 16273 1 1828 . 1 1 149 149 LEU CA C 13 56.658 0.108 . . . . . . 149 LEU CA . 16273 1 1829 . 1 1 149 149 LEU CB C 13 40.250 0.086 . . . . . . 149 LEU CB . 16273 1 1830 . 1 1 149 149 LEU CD1 C 13 21.385 0.047 . . . . . . 149 LEU CD1 . 16273 1 1831 . 1 1 149 149 LEU CD2 C 13 25.395 0.090 . . . . . . 149 LEU CD2 . 16273 1 1832 . 1 1 149 149 LEU CG C 13 24.673 0.041 . . . . . . 149 LEU CG . 16273 1 1833 . 1 1 149 149 LEU N N 15 118.616 0.047 . . . . . . 149 LEU N . 16273 1 1834 . 1 1 150 150 SER H H 1 7.767 0.005 . . . . . . 150 SER H . 16273 1 1835 . 1 1 150 150 SER HA H 1 4.167 0.009 . . . . . . 150 SER HA . 16273 1 1836 . 1 1 150 150 SER HB2 H 1 3.971 0.005 . . . . . . 150 SER HB2 . 16273 1 1837 . 1 1 150 150 SER HB3 H 1 3.971 0.005 . . . . . . 150 SER HB3 . 16273 1 1838 . 1 1 150 150 SER C C 13 174.862 0.059 . . . . . . 150 SER C . 16273 1 1839 . 1 1 150 150 SER CA C 13 60.759 0.044 . . . . . . 150 SER CA . 16273 1 1840 . 1 1 150 150 SER CB C 13 62.791 0.042 . . . . . . 150 SER CB . 16273 1 1841 . 1 1 150 150 SER N N 15 114.702 0.080 . . . . . . 150 SER N . 16273 1 1842 . 1 1 151 151 ARG H H 1 7.041 0.017 . . . . . . 151 ARG H . 16273 1 1843 . 1 1 151 151 ARG HA H 1 4.186 0.010 . . . . . . 151 ARG HA . 16273 1 1844 . 1 1 151 151 ARG HB2 H 1 1.608 0.005 . . . . . . 151 ARG HB2 . 16273 1 1845 . 1 1 151 151 ARG HB3 H 1 1.771 0.003 . . . . . . 151 ARG HB3 . 16273 1 1846 . 1 1 151 151 ARG HD2 H 1 3.194 0.011 . . . . . . 151 ARG HD2 . 16273 1 1847 . 1 1 151 151 ARG HD3 H 1 3.194 0.011 . . . . . . 151 ARG HD3 . 16273 1 1848 . 1 1 151 151 ARG HG2 H 1 1.489 0.005 . . . . . . 151 ARG HG2 . 16273 1 1849 . 1 1 151 151 ARG HG3 H 1 1.592 0.002 . . . . . . 151 ARG HG3 . 16273 1 1850 . 1 1 151 151 ARG C C 13 175.346 0.077 . . . . . . 151 ARG C . 16273 1 1851 . 1 1 151 151 ARG CA C 13 56.518 0.057 . . . . . . 151 ARG CA . 16273 1 1852 . 1 1 151 151 ARG CB C 13 29.650 0.014 . . . . . . 151 ARG CB . 16273 1 1853 . 1 1 151 151 ARG CD C 13 43.279 0.043 . . . . . . 151 ARG CD . 16273 1 1854 . 1 1 151 151 ARG CG C 13 26.678 0.133 . . . . . . 151 ARG CG . 16273 1 1855 . 1 1 151 151 ARG N N 15 117.834 0.053 . . . . . . 151 ARG N . 16273 1 1856 . 1 1 152 152 HIS H H 1 7.615 0.012 . . . . . . 152 HIS H . 16273 1 1857 . 1 1 152 152 HIS HA H 1 4.600 0.015 . . . . . . 152 HIS HA . 16273 1 1858 . 1 1 152 152 HIS HB2 H 1 2.824 0.006 . . . . . . 152 HIS HB2 . 16273 1 1859 . 1 1 152 152 HIS HB3 H 1 2.737 0.006 . . . . . . 152 HIS HB3 . 16273 1 1860 . 1 1 152 152 HIS HD2 H 1 7.148 0.007 . . . . . . 152 HIS HD2 . 16273 1 1861 . 1 1 152 152 HIS HE1 H 1 8.701 0.007 . . . . . . 152 HIS HE1 . 16273 1 1862 . 1 1 152 152 HIS C C 13 173.625 0.098 . . . . . . 152 HIS C . 16273 1 1863 . 1 1 152 152 HIS CA C 13 54.990 0.045 . . . . . . 152 HIS CA . 16273 1 1864 . 1 1 152 152 HIS CB C 13 30.369 0.050 . . . . . . 152 HIS CB . 16273 1 1865 . 1 1 152 152 HIS CD2 C 13 122.219 0.071 . . . . . . 152 HIS CD2 . 16273 1 1866 . 1 1 152 152 HIS CE1 C 13 113.345 0.000 . . . . . . 152 HIS CE1 . 16273 1 1867 . 1 1 152 152 HIS N N 15 117.160 0.091 . . . . . . 152 HIS N . 16273 1 1868 . 1 1 153 153 THR H H 1 8.222 0.031 . . . . . . 153 THR H . 16273 1 1869 . 1 1 153 153 THR HA H 1 4.323 0.011 . . . . . . 153 THR HA . 16273 1 1870 . 1 1 153 153 THR HB H 1 4.027 0.017 . . . . . . 153 THR HB . 16273 1 1871 . 1 1 153 153 THR HG21 H 1 1.146 0.006 . . . . . . 153 THR HG21 . 16273 1 1872 . 1 1 153 153 THR HG22 H 1 1.146 0.006 . . . . . . 153 THR HG22 . 16273 1 1873 . 1 1 153 153 THR HG23 H 1 1.146 0.006 . . . . . . 153 THR HG23 . 16273 1 1874 . 1 1 153 153 THR C C 13 174.067 0.031 . . . . . . 153 THR C . 16273 1 1875 . 1 1 153 153 THR CA C 13 61.694 0.050 . . . . . . 153 THR CA . 16273 1 1876 . 1 1 153 153 THR CB C 13 70.107 0.037 . . . . . . 153 THR CB . 16273 1 1877 . 1 1 153 153 THR CG2 C 13 21.502 0.064 . . . . . . 153 THR CG2 . 16273 1 1878 . 1 1 153 153 THR N N 15 116.387 0.261 . . . . . . 153 THR N . 16273 1 1879 . 1 1 154 154 CYS H H 1 8.566 0.019 . . . . . . 154 CYS H . 16273 1 1880 . 1 1 154 154 CYS HA H 1 4.306 0.020 . . . . . . 154 CYS HA . 16273 1 1881 . 1 1 154 154 CYS HB2 H 1 2.727 0.006 . . . . . . 154 CYS HB2 . 16273 1 1882 . 1 1 154 154 CYS HB3 H 1 2.790 0.008 . . . . . . 154 CYS HB3 . 16273 1 1883 . 1 1 154 154 CYS C C 13 173.869 0.001 . . . . . . 154 CYS C . 16273 1 1884 . 1 1 154 154 CYS CA C 13 58.435 0.058 . . . . . . 154 CYS CA . 16273 1 1885 . 1 1 154 154 CYS CB C 13 28.402 0.039 . . . . . . 154 CYS CB . 16273 1 1886 . 1 1 154 154 CYS N N 15 123.812 0.218 . . . . . . 154 CYS N . 16273 1 1887 . 1 1 155 155 ALA H H 1 8.348 0.020 . . . . . . 155 ALA H . 16273 1 1888 . 1 1 155 155 ALA HA H 1 4.258 0.006 . . . . . . 155 ALA HA . 16273 1 1889 . 1 1 155 155 ALA HB1 H 1 1.355 0.006 . . . . . . 155 ALA HB1 . 16273 1 1890 . 1 1 155 155 ALA HB2 H 1 1.355 0.006 . . . . . . 155 ALA HB2 . 16273 1 1891 . 1 1 155 155 ALA HB3 H 1 1.355 0.006 . . . . . . 155 ALA HB3 . 16273 1 1892 . 1 1 155 155 ALA C C 13 177.261 0.000 . . . . . . 155 ALA C . 16273 1 1893 . 1 1 155 155 ALA CA C 13 52.392 0.096 . . . . . . 155 ALA CA . 16273 1 1894 . 1 1 155 155 ALA CB C 13 19.562 0.023 . . . . . . 155 ALA CB . 16273 1 1895 . 1 1 155 155 ALA N N 15 125.499 0.035 . . . . . . 155 ALA N . 16273 1 1896 . 1 1 156 156 GLU H H 1 8.421 0.006 . . . . . . 156 GLU H . 16273 1 1897 . 1 1 156 156 GLU HA H 1 4.504 0.011 . . . . . . 156 GLU HA . 16273 1 1898 . 1 1 156 156 GLU HB2 H 1 1.855 0.007 . . . . . . 156 GLU HB2 . 16273 1 1899 . 1 1 156 156 GLU HB3 H 1 2.001 0.007 . . . . . . 156 GLU HB3 . 16273 1 1900 . 1 1 156 156 GLU HG2 H 1 2.276 0.004 . . . . . . 156 GLU HG2 . 16273 1 1901 . 1 1 156 156 GLU HG3 H 1 2.276 0.004 . . . . . . 156 GLU HG3 . 16273 1 1902 . 1 1 156 156 GLU CA C 13 54.426 0.047 . . . . . . 156 GLU CA . 16273 1 1903 . 1 1 156 156 GLU CB C 13 29.591 0.071 . . . . . . 156 GLU CB . 16273 1 1904 . 1 1 156 156 GLU CG C 13 36.001 0.000 . . . . . . 156 GLU CG . 16273 1 1905 . 1 1 156 156 GLU N N 15 122.217 0.060 . . . . . . 156 GLU N . 16273 1 1906 . 1 1 157 157 PRO HA H 1 4.365 0.006 . . . . . . 157 PRO HA . 16273 1 1907 . 1 1 157 157 PRO HB2 H 1 1.853 0.008 . . . . . . 157 PRO HB2 . 16273 1 1908 . 1 1 157 157 PRO HB3 H 1 2.250 0.004 . . . . . . 157 PRO HB3 . 16273 1 1909 . 1 1 157 157 PRO HD2 H 1 3.783 0.006 . . . . . . 157 PRO HD2 . 16273 1 1910 . 1 1 157 157 PRO HD3 H 1 3.655 0.005 . . . . . . 157 PRO HD3 . 16273 1 1911 . 1 1 157 157 PRO HG2 H 1 1.972 0.001 . . . . . . 157 PRO HG2 . 16273 1 1912 . 1 1 157 157 PRO HG3 H 1 1.972 0.001 . . . . . . 157 PRO HG3 . 16273 1 1913 . 1 1 157 157 PRO C C 13 176.736 0.015 . . . . . . 157 PRO C . 16273 1 1914 . 1 1 157 157 PRO CA C 13 63.193 0.099 . . . . . . 157 PRO CA . 16273 1 1915 . 1 1 157 157 PRO CB C 13 32.128 0.039 . . . . . . 157 PRO CB . 16273 1 1916 . 1 1 157 157 PRO CD C 13 50.603 0.015 . . . . . . 157 PRO CD . 16273 1 1917 . 1 1 157 157 PRO CG C 13 27.344 0.022 . . . . . . 157 PRO CG . 16273 1 1918 . 1 1 158 158 ASP H H 1 8.417 0.007 . . . . . . 158 ASP H . 16273 1 1919 . 1 1 158 158 ASP HA H 1 4.505 0.003 . . . . . . 158 ASP HA . 16273 1 1920 . 1 1 158 158 ASP HB2 H 1 2.665 0.007 . . . . . . 158 ASP HB2 . 16273 1 1921 . 1 1 158 158 ASP HB3 H 1 2.575 0.015 . . . . . . 158 ASP HB3 . 16273 1 1922 . 1 1 158 158 ASP C C 13 176.080 0.000 . . . . . . 158 ASP C . 16273 1 1923 . 1 1 158 158 ASP CA C 13 54.261 0.044 . . . . . . 158 ASP CA . 16273 1 1924 . 1 1 158 158 ASP CB C 13 41.141 0.027 . . . . . . 158 ASP CB . 16273 1 1925 . 1 1 158 158 ASP N N 15 120.534 0.261 . . . . . . 158 ASP N . 16273 1 1926 . 1 1 159 159 ALA H H 1 8.204 0.003 . . . . . . 159 ALA H . 16273 1 1927 . 1 1 159 159 ALA HA H 1 4.256 0.007 . . . . . . 159 ALA HA . 16273 1 1928 . 1 1 159 159 ALA HB1 H 1 1.370 0.008 . . . . . . 159 ALA HB1 . 16273 1 1929 . 1 1 159 159 ALA HB2 H 1 1.370 0.008 . . . . . . 159 ALA HB2 . 16273 1 1930 . 1 1 159 159 ALA HB3 H 1 1.370 0.008 . . . . . . 159 ALA HB3 . 16273 1 1931 . 1 1 159 159 ALA C C 13 177.756 0.000 . . . . . . 159 ALA C . 16273 1 1932 . 1 1 159 159 ALA CA C 13 52.719 0.121 . . . . . . 159 ALA CA . 16273 1 1933 . 1 1 159 159 ALA CB C 13 19.500 0.000 . . . . . . 159 ALA CB . 16273 1 1934 . 1 1 159 159 ALA N N 15 124.500 0.045 . . . . . . 159 ALA N . 16273 1 1935 . 1 1 160 160 GLU H H 1 8.402 0.002 . . . . . . 160 GLU H . 16273 1 1936 . 1 1 160 160 GLU HA H 1 4.246 0.004 . . . . . . 160 GLU HA . 16273 1 1937 . 1 1 160 160 GLU HB2 H 1 2.066 0.024 . . . . . . 160 GLU HB2 . 16273 1 1938 . 1 1 160 160 GLU HB3 H 1 1.908 0.004 . . . . . . 160 GLU HB3 . 16273 1 1939 . 1 1 160 160 GLU HG2 H 1 2.220 0.036 . . . . . . 160 GLU HG2 . 16273 1 1940 . 1 1 160 160 GLU HG3 H 1 2.220 0.036 . . . . . . 160 GLU HG3 . 16273 1 1941 . 1 1 160 160 GLU C C 13 175.726 0.000 . . . . . . 160 GLU C . 16273 1 1942 . 1 1 160 160 GLU CA C 13 56.381 0.088 . . . . . . 160 GLU CA . 16273 1 1943 . 1 1 160 160 GLU N N 15 120.305 0.046 . . . . . . 160 GLU N . 16273 1 1944 . 1 1 161 161 SER H H 1 7.880 0.002 . . . . . . 161 SER H . 16273 1 1945 . 1 1 161 161 SER HA H 1 4.682 0.001 . . . . . . 161 SER HA . 16273 1 1946 . 1 1 161 161 SER HB2 H 1 3.829 0.018 . . . . . . 161 SER HB2 . 16273 1 1947 . 1 1 161 161 SER HB3 H 1 3.780 0.000 . . . . . . 161 SER HB3 . 16273 1 1948 . 1 1 161 161 SER CA C 13 56.630 0.000 . . . . . . 161 SER CA . 16273 1 1949 . 1 1 161 161 SER CB C 13 63.200 0.000 . . . . . . 161 SER CB . 16273 1 1950 . 1 1 161 161 SER N N 15 122.187 0.018 . . . . . . 161 SER N . 16273 1 stop_ save_