data_27879 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27879 _Entry.Title ; Resonance assignemnt of HpDnaB:ADP:AlF4-:DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-17 _Entry.Accession_date 2019-04-17 _Entry.Last_release_date 2019-04-17 _Entry.Original_release_date 2019-04-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Maarten Schledorn . . . . 27879 2 Riccardo Cadalbert . . . . 27879 3 'Beat H.' Meier . . . . 27879 4 Anja Boeckmann . . . . 27879 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27879 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 721 27879 '15N chemical shifts' 191 27879 '1H chemical shifts' 289 27879 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-08-14 2019-04-17 update BMRB 'update entry citation' 27879 1 . . 2019-04-18 2019-04-17 original author 'original release' 27879 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27879 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31310428 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nucleotide binding modes in a motor protein revealed by 31P and 1H-detected MAS solid-state NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume 21 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1439-7633 _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 324 _Citation.Page_last 330 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Wiegand T. . . . 27879 1 2 Maarten Schledorn M. . . . 27879 1 3 Alexander Malar A. A. . . 27879 1 4 Riccardo Cadalbert R. . . . 27879 1 5 Alexander Dapp A. . . . 27879 1 6 Laurent Terradot L. . . . 27879 1 7 Beat Meier B. H. . . 27879 1 8 Anja Bockmann A. . . . 27879 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27879 _Assembly.ID 1 _Assembly.Name 'DnaB (double-)hexamer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 "The system contains (dT)20: single-stranded DNA oligonucleotide with sequence 5'-(T)20-3'." _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 'DnaB helicase' 1 $DnaB_helicase A . yes native yes no . . . 27879 1 2 'Magnesium ion' 2 $entity_MG B . no native yes no . . . 27879 1 3 ADP 3 $entity_ADP C . no native yes no . . . 27879 1 4 AlF4- 4 $entity_ALF D . no native yes no . . . 27879 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaB_helicase _Entity.Sf_category entity _Entity.Sf_framecode DnaB_helicase _Entity.Entry_ID 27879 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DnaB_helicase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDHLKHLQQLQNIERIVLSG IVLANHKIEEVHSVLEPSDF YYPPNGLFFEIALKLHEEDC PIDENFIRQKMPKDKQIKEE DLVAIFAASPIDNIEAYVEE IKNASIKRKLFGLANTIREQ ALESAQKSSDILGAVEREVY ALLNGSTIEGFRNIKEVLES AMDLITENQRKGSLEVTGIP TGFVQLDNYTSGFNKGSLVI IGARPSMGKTSLMMNMVLSA LNDDRGVAVFSLEMSAEQLA LRALSDLTSINMHDLESGRL DDDQWENLAKCFDHLSQKKL FFYDKSYVRIEQIRLQLRKL KSQHKELGIAFIDYLQLMSG SKATKERHEQIAEISRELKT LARELEIPIIALVQLNRSLE NRDDKRPILSDIKDSGGIEQ DADIVLFLYRGYIYQMRAED NKIDKLKKEGKIEEAQELYL KVNEERRIHKQNGSIEEAEI IVAKNRNGATGTVYTRFNAP FTRYEDMPIDSHLEEGQETK VDYDIVTT ; _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 488 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27879 1 2 . ASP . 27879 1 3 . HIS . 27879 1 4 . LEU . 27879 1 5 . LYS . 27879 1 6 . HIS . 27879 1 7 . LEU . 27879 1 8 . GLN . 27879 1 9 . GLN . 27879 1 10 . LEU . 27879 1 11 . GLN . 27879 1 12 . ASN . 27879 1 13 . ILE . 27879 1 14 . GLU . 27879 1 15 . ARG . 27879 1 16 . ILE . 27879 1 17 . VAL . 27879 1 18 . LEU . 27879 1 19 . SER . 27879 1 20 . GLY . 27879 1 21 . ILE . 27879 1 22 . VAL . 27879 1 23 . LEU . 27879 1 24 . ALA . 27879 1 25 . ASN . 27879 1 26 . HIS . 27879 1 27 . LYS . 27879 1 28 . ILE . 27879 1 29 . GLU . 27879 1 30 . GLU . 27879 1 31 . VAL . 27879 1 32 . HIS . 27879 1 33 . SER . 27879 1 34 . VAL . 27879 1 35 . LEU . 27879 1 36 . GLU . 27879 1 37 . PRO . 27879 1 38 . SER . 27879 1 39 . ASP . 27879 1 40 . PHE . 27879 1 41 . TYR . 27879 1 42 . TYR . 27879 1 43 . PRO . 27879 1 44 . PRO . 27879 1 45 . ASN . 27879 1 46 . GLY . 27879 1 47 . LEU . 27879 1 48 . PHE . 27879 1 49 . PHE . 27879 1 50 . GLU . 27879 1 51 . ILE . 27879 1 52 . ALA . 27879 1 53 . LEU . 27879 1 54 . LYS . 27879 1 55 . LEU . 27879 1 56 . HIS . 27879 1 57 . GLU . 27879 1 58 . GLU . 27879 1 59 . ASP . 27879 1 60 . CYS . 27879 1 61 . PRO . 27879 1 62 . ILE . 27879 1 63 . ASP . 27879 1 64 . GLU . 27879 1 65 . ASN . 27879 1 66 . PHE . 27879 1 67 . ILE . 27879 1 68 . ARG . 27879 1 69 . GLN . 27879 1 70 . LYS . 27879 1 71 . MET . 27879 1 72 . PRO . 27879 1 73 . LYS . 27879 1 74 . ASP . 27879 1 75 . LYS . 27879 1 76 . GLN . 27879 1 77 . ILE . 27879 1 78 . LYS . 27879 1 79 . GLU . 27879 1 80 . GLU . 27879 1 81 . ASP . 27879 1 82 . LEU . 27879 1 83 . VAL . 27879 1 84 . ALA . 27879 1 85 . ILE . 27879 1 86 . PHE . 27879 1 87 . ALA . 27879 1 88 . ALA . 27879 1 89 . SER . 27879 1 90 . PRO . 27879 1 91 . ILE . 27879 1 92 . ASP . 27879 1 93 . ASN . 27879 1 94 . ILE . 27879 1 95 . GLU . 27879 1 96 . ALA . 27879 1 97 . TYR . 27879 1 98 . VAL . 27879 1 99 . GLU . 27879 1 100 . GLU . 27879 1 101 . ILE . 27879 1 102 . LYS . 27879 1 103 . ASN . 27879 1 104 . ALA . 27879 1 105 . SER . 27879 1 106 . ILE . 27879 1 107 . LYS . 27879 1 108 . ARG . 27879 1 109 . LYS . 27879 1 110 . LEU . 27879 1 111 . PHE . 27879 1 112 . GLY . 27879 1 113 . LEU . 27879 1 114 . ALA . 27879 1 115 . ASN . 27879 1 116 . THR . 27879 1 117 . ILE . 27879 1 118 . ARG . 27879 1 119 . GLU . 27879 1 120 . GLN . 27879 1 121 . ALA . 27879 1 122 . LEU . 27879 1 123 . GLU . 27879 1 124 . SER . 27879 1 125 . ALA . 27879 1 126 . GLN . 27879 1 127 . LYS . 27879 1 128 . SER . 27879 1 129 . SER . 27879 1 130 . ASP . 27879 1 131 . ILE . 27879 1 132 . LEU . 27879 1 133 . GLY . 27879 1 134 . ALA . 27879 1 135 . VAL . 27879 1 136 . GLU . 27879 1 137 . ARG . 27879 1 138 . GLU . 27879 1 139 . VAL . 27879 1 140 . TYR . 27879 1 141 . ALA . 27879 1 142 . LEU . 27879 1 143 . LEU . 27879 1 144 . ASN . 27879 1 145 . GLY . 27879 1 146 . SER . 27879 1 147 . THR . 27879 1 148 . ILE . 27879 1 149 . GLU . 27879 1 150 . GLY . 27879 1 151 . PHE . 27879 1 152 . ARG . 27879 1 153 . ASN . 27879 1 154 . ILE . 27879 1 155 . LYS . 27879 1 156 . GLU . 27879 1 157 . VAL . 27879 1 158 . LEU . 27879 1 159 . GLU . 27879 1 160 . SER . 27879 1 161 . ALA . 27879 1 162 . MET . 27879 1 163 . ASP . 27879 1 164 . LEU . 27879 1 165 . ILE . 27879 1 166 . THR . 27879 1 167 . GLU . 27879 1 168 . ASN . 27879 1 169 . GLN . 27879 1 170 . ARG . 27879 1 171 . LYS . 27879 1 172 . GLY . 27879 1 173 . SER . 27879 1 174 . LEU . 27879 1 175 . GLU . 27879 1 176 . VAL . 27879 1 177 . THR . 27879 1 178 . GLY . 27879 1 179 . ILE . 27879 1 180 . PRO . 27879 1 181 . THR . 27879 1 182 . GLY . 27879 1 183 . PHE . 27879 1 184 . VAL . 27879 1 185 . GLN . 27879 1 186 . LEU . 27879 1 187 . ASP . 27879 1 188 . ASN . 27879 1 189 . TYR . 27879 1 190 . THR . 27879 1 191 . SER . 27879 1 192 . GLY . 27879 1 193 . PHE . 27879 1 194 . ASN . 27879 1 195 . LYS . 27879 1 196 . GLY . 27879 1 197 . SER . 27879 1 198 . LEU . 27879 1 199 . VAL . 27879 1 200 . ILE . 27879 1 201 . ILE . 27879 1 202 . GLY . 27879 1 203 . ALA . 27879 1 204 . ARG . 27879 1 205 . PRO . 27879 1 206 . SER . 27879 1 207 . MET . 27879 1 208 . GLY . 27879 1 209 . LYS . 27879 1 210 . THR . 27879 1 211 . SER . 27879 1 212 . LEU . 27879 1 213 . MET . 27879 1 214 . MET . 27879 1 215 . ASN . 27879 1 216 . MET . 27879 1 217 . VAL . 27879 1 218 . LEU . 27879 1 219 . SER . 27879 1 220 . ALA . 27879 1 221 . LEU . 27879 1 222 . ASN . 27879 1 223 . ASP . 27879 1 224 . ASP . 27879 1 225 . ARG . 27879 1 226 . GLY . 27879 1 227 . VAL . 27879 1 228 . ALA . 27879 1 229 . VAL . 27879 1 230 . PHE . 27879 1 231 . SER . 27879 1 232 . LEU . 27879 1 233 . GLU . 27879 1 234 . MET . 27879 1 235 . SER . 27879 1 236 . ALA . 27879 1 237 . GLU . 27879 1 238 . GLN . 27879 1 239 . LEU . 27879 1 240 . ALA . 27879 1 241 . LEU . 27879 1 242 . ARG . 27879 1 243 . ALA . 27879 1 244 . LEU . 27879 1 245 . SER . 27879 1 246 . ASP . 27879 1 247 . LEU . 27879 1 248 . THR . 27879 1 249 . SER . 27879 1 250 . ILE . 27879 1 251 . ASN . 27879 1 252 . MET . 27879 1 253 . HIS . 27879 1 254 . ASP . 27879 1 255 . LEU . 27879 1 256 . GLU . 27879 1 257 . SER . 27879 1 258 . GLY . 27879 1 259 . ARG . 27879 1 260 . LEU . 27879 1 261 . ASP . 27879 1 262 . ASP . 27879 1 263 . ASP . 27879 1 264 . GLN . 27879 1 265 . TRP . 27879 1 266 . GLU . 27879 1 267 . ASN . 27879 1 268 . LEU . 27879 1 269 . ALA . 27879 1 270 . LYS . 27879 1 271 . CYS . 27879 1 272 . PHE . 27879 1 273 . ASP . 27879 1 274 . HIS . 27879 1 275 . LEU . 27879 1 276 . SER . 27879 1 277 . GLN . 27879 1 278 . LYS . 27879 1 279 . LYS . 27879 1 280 . LEU . 27879 1 281 . PHE . 27879 1 282 . PHE . 27879 1 283 . TYR . 27879 1 284 . ASP . 27879 1 285 . LYS . 27879 1 286 . SER . 27879 1 287 . TYR . 27879 1 288 . VAL . 27879 1 289 . ARG . 27879 1 290 . ILE . 27879 1 291 . GLU . 27879 1 292 . GLN . 27879 1 293 . ILE . 27879 1 294 . ARG . 27879 1 295 . LEU . 27879 1 296 . GLN . 27879 1 297 . LEU . 27879 1 298 . ARG . 27879 1 299 . LYS . 27879 1 300 . LEU . 27879 1 301 . LYS . 27879 1 302 . SER . 27879 1 303 . GLN . 27879 1 304 . HIS . 27879 1 305 . LYS . 27879 1 306 . GLU . 27879 1 307 . LEU . 27879 1 308 . GLY . 27879 1 309 . ILE . 27879 1 310 . ALA . 27879 1 311 . PHE . 27879 1 312 . ILE . 27879 1 313 . ASP . 27879 1 314 . TYR . 27879 1 315 . LEU . 27879 1 316 . GLN . 27879 1 317 . LEU . 27879 1 318 . MET . 27879 1 319 . SER . 27879 1 320 . GLY . 27879 1 321 . SER . 27879 1 322 . LYS . 27879 1 323 . ALA . 27879 1 324 . THR . 27879 1 325 . LYS . 27879 1 326 . GLU . 27879 1 327 . ARG . 27879 1 328 . HIS . 27879 1 329 . GLU . 27879 1 330 . GLN . 27879 1 331 . ILE . 27879 1 332 . ALA . 27879 1 333 . GLU . 27879 1 334 . ILE . 27879 1 335 . SER . 27879 1 336 . ARG . 27879 1 337 . GLU . 27879 1 338 . LEU . 27879 1 339 . LYS . 27879 1 340 . THR . 27879 1 341 . LEU . 27879 1 342 . ALA . 27879 1 343 . ARG . 27879 1 344 . GLU . 27879 1 345 . LEU . 27879 1 346 . GLU . 27879 1 347 . ILE . 27879 1 348 . PRO . 27879 1 349 . ILE . 27879 1 350 . ILE . 27879 1 351 . ALA . 27879 1 352 . LEU . 27879 1 353 . VAL . 27879 1 354 . GLN . 27879 1 355 . LEU . 27879 1 356 . ASN . 27879 1 357 . ARG . 27879 1 358 . SER . 27879 1 359 . LEU . 27879 1 360 . GLU . 27879 1 361 . ASN . 27879 1 362 . ARG . 27879 1 363 . ASP . 27879 1 364 . ASP . 27879 1 365 . LYS . 27879 1 366 . ARG . 27879 1 367 . PRO . 27879 1 368 . ILE . 27879 1 369 . LEU . 27879 1 370 . SER . 27879 1 371 . ASP . 27879 1 372 . ILE . 27879 1 373 . LYS . 27879 1 374 . ASP . 27879 1 375 . SER . 27879 1 376 . GLY . 27879 1 377 . GLY . 27879 1 378 . ILE . 27879 1 379 . GLU . 27879 1 380 . GLN . 27879 1 381 . ASP . 27879 1 382 . ALA . 27879 1 383 . ASP . 27879 1 384 . ILE . 27879 1 385 . VAL . 27879 1 386 . LEU . 27879 1 387 . PHE . 27879 1 388 . LEU . 27879 1 389 . TYR . 27879 1 390 . ARG . 27879 1 391 . GLY . 27879 1 392 . TYR . 27879 1 393 . ILE . 27879 1 394 . TYR . 27879 1 395 . GLN . 27879 1 396 . MET . 27879 1 397 . ARG . 27879 1 398 . ALA . 27879 1 399 . GLU . 27879 1 400 . ASP . 27879 1 401 . ASN . 27879 1 402 . LYS . 27879 1 403 . ILE . 27879 1 404 . ASP . 27879 1 405 . LYS . 27879 1 406 . LEU . 27879 1 407 . LYS . 27879 1 408 . LYS . 27879 1 409 . GLU . 27879 1 410 . GLY . 27879 1 411 . LYS . 27879 1 412 . ILE . 27879 1 413 . GLU . 27879 1 414 . GLU . 27879 1 415 . ALA . 27879 1 416 . GLN . 27879 1 417 . GLU . 27879 1 418 . LEU . 27879 1 419 . TYR . 27879 1 420 . LEU . 27879 1 421 . LYS . 27879 1 422 . VAL . 27879 1 423 . ASN . 27879 1 424 . GLU . 27879 1 425 . GLU . 27879 1 426 . ARG . 27879 1 427 . ARG . 27879 1 428 . ILE . 27879 1 429 . HIS . 27879 1 430 . LYS . 27879 1 431 . GLN . 27879 1 432 . ASN . 27879 1 433 . GLY . 27879 1 434 . SER . 27879 1 435 . ILE . 27879 1 436 . GLU . 27879 1 437 . GLU . 27879 1 438 . ALA . 27879 1 439 . GLU . 27879 1 440 . ILE . 27879 1 441 . ILE . 27879 1 442 . VAL . 27879 1 443 . ALA . 27879 1 444 . LYS . 27879 1 445 . ASN . 27879 1 446 . ARG . 27879 1 447 . ASN . 27879 1 448 . GLY . 27879 1 449 . ALA . 27879 1 450 . THR . 27879 1 451 . GLY . 27879 1 452 . THR . 27879 1 453 . VAL . 27879 1 454 . TYR . 27879 1 455 . THR . 27879 1 456 . ARG . 27879 1 457 . PHE . 27879 1 458 . ASN . 27879 1 459 . ALA . 27879 1 460 . PRO . 27879 1 461 . PHE . 27879 1 462 . THR . 27879 1 463 . ARG . 27879 1 464 . TYR . 27879 1 465 . GLU . 27879 1 466 . ASP . 27879 1 467 . MET . 27879 1 468 . PRO . 27879 1 469 . ILE . 27879 1 470 . ASP . 27879 1 471 . SER . 27879 1 472 . HIS . 27879 1 473 . LEU . 27879 1 474 . GLU . 27879 1 475 . GLU . 27879 1 476 . GLY . 27879 1 477 . GLN . 27879 1 478 . GLU . 27879 1 479 . THR . 27879 1 480 . LYS . 27879 1 481 . VAL . 27879 1 482 . ASP . 27879 1 483 . TYR . 27879 1 484 . ASP . 27879 1 485 . ILE . 27879 1 486 . VAL . 27879 1 487 . THR . 27879 1 488 . THR . 27879 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27879 1 . ASP 2 2 27879 1 . HIS 3 3 27879 1 . LEU 4 4 27879 1 . LYS 5 5 27879 1 . HIS 6 6 27879 1 . LEU 7 7 27879 1 . GLN 8 8 27879 1 . GLN 9 9 27879 1 . LEU 10 10 27879 1 . GLN 11 11 27879 1 . ASN 12 12 27879 1 . ILE 13 13 27879 1 . GLU 14 14 27879 1 . ARG 15 15 27879 1 . ILE 16 16 27879 1 . VAL 17 17 27879 1 . LEU 18 18 27879 1 . SER 19 19 27879 1 . GLY 20 20 27879 1 . ILE 21 21 27879 1 . VAL 22 22 27879 1 . LEU 23 23 27879 1 . ALA 24 24 27879 1 . ASN 25 25 27879 1 . HIS 26 26 27879 1 . LYS 27 27 27879 1 . ILE 28 28 27879 1 . GLU 29 29 27879 1 . GLU 30 30 27879 1 . VAL 31 31 27879 1 . HIS 32 32 27879 1 . SER 33 33 27879 1 . VAL 34 34 27879 1 . LEU 35 35 27879 1 . GLU 36 36 27879 1 . PRO 37 37 27879 1 . SER 38 38 27879 1 . ASP 39 39 27879 1 . PHE 40 40 27879 1 . TYR 41 41 27879 1 . TYR 42 42 27879 1 . PRO 43 43 27879 1 . PRO 44 44 27879 1 . ASN 45 45 27879 1 . GLY 46 46 27879 1 . LEU 47 47 27879 1 . PHE 48 48 27879 1 . PHE 49 49 27879 1 . GLU 50 50 27879 1 . ILE 51 51 27879 1 . ALA 52 52 27879 1 . LEU 53 53 27879 1 . LYS 54 54 27879 1 . LEU 55 55 27879 1 . HIS 56 56 27879 1 . GLU 57 57 27879 1 . GLU 58 58 27879 1 . ASP 59 59 27879 1 . CYS 60 60 27879 1 . PRO 61 61 27879 1 . ILE 62 62 27879 1 . ASP 63 63 27879 1 . GLU 64 64 27879 1 . ASN 65 65 27879 1 . PHE 66 66 27879 1 . ILE 67 67 27879 1 . ARG 68 68 27879 1 . GLN 69 69 27879 1 . LYS 70 70 27879 1 . MET 71 71 27879 1 . PRO 72 72 27879 1 . LYS 73 73 27879 1 . ASP 74 74 27879 1 . LYS 75 75 27879 1 . GLN 76 76 27879 1 . ILE 77 77 27879 1 . LYS 78 78 27879 1 . GLU 79 79 27879 1 . GLU 80 80 27879 1 . ASP 81 81 27879 1 . LEU 82 82 27879 1 . VAL 83 83 27879 1 . ALA 84 84 27879 1 . ILE 85 85 27879 1 . PHE 86 86 27879 1 . ALA 87 87 27879 1 . ALA 88 88 27879 1 . SER 89 89 27879 1 . PRO 90 90 27879 1 . ILE 91 91 27879 1 . ASP 92 92 27879 1 . ASN 93 93 27879 1 . ILE 94 94 27879 1 . GLU 95 95 27879 1 . ALA 96 96 27879 1 . TYR 97 97 27879 1 . VAL 98 98 27879 1 . GLU 99 99 27879 1 . GLU 100 100 27879 1 . ILE 101 101 27879 1 . LYS 102 102 27879 1 . ASN 103 103 27879 1 . ALA 104 104 27879 1 . SER 105 105 27879 1 . ILE 106 106 27879 1 . LYS 107 107 27879 1 . ARG 108 108 27879 1 . LYS 109 109 27879 1 . LEU 110 110 27879 1 . PHE 111 111 27879 1 . GLY 112 112 27879 1 . LEU 113 113 27879 1 . ALA 114 114 27879 1 . ASN 115 115 27879 1 . THR 116 116 27879 1 . ILE 117 117 27879 1 . ARG 118 118 27879 1 . GLU 119 119 27879 1 . GLN 120 120 27879 1 . ALA 121 121 27879 1 . LEU 122 122 27879 1 . GLU 123 123 27879 1 . SER 124 124 27879 1 . ALA 125 125 27879 1 . GLN 126 126 27879 1 . LYS 127 127 27879 1 . SER 128 128 27879 1 . SER 129 129 27879 1 . ASP 130 130 27879 1 . ILE 131 131 27879 1 . LEU 132 132 27879 1 . GLY 133 133 27879 1 . ALA 134 134 27879 1 . VAL 135 135 27879 1 . GLU 136 136 27879 1 . ARG 137 137 27879 1 . GLU 138 138 27879 1 . VAL 139 139 27879 1 . TYR 140 140 27879 1 . ALA 141 141 27879 1 . LEU 142 142 27879 1 . LEU 143 143 27879 1 . ASN 144 144 27879 1 . GLY 145 145 27879 1 . SER 146 146 27879 1 . THR 147 147 27879 1 . ILE 148 148 27879 1 . GLU 149 149 27879 1 . GLY 150 150 27879 1 . PHE 151 151 27879 1 . ARG 152 152 27879 1 . ASN 153 153 27879 1 . ILE 154 154 27879 1 . LYS 155 155 27879 1 . GLU 156 156 27879 1 . VAL 157 157 27879 1 . LEU 158 158 27879 1 . GLU 159 159 27879 1 . SER 160 160 27879 1 . ALA 161 161 27879 1 . MET 162 162 27879 1 . ASP 163 163 27879 1 . LEU 164 164 27879 1 . ILE 165 165 27879 1 . THR 166 166 27879 1 . GLU 167 167 27879 1 . ASN 168 168 27879 1 . GLN 169 169 27879 1 . ARG 170 170 27879 1 . LYS 171 171 27879 1 . GLY 172 172 27879 1 . SER 173 173 27879 1 . LEU 174 174 27879 1 . GLU 175 175 27879 1 . VAL 176 176 27879 1 . THR 177 177 27879 1 . GLY 178 178 27879 1 . ILE 179 179 27879 1 . PRO 180 180 27879 1 . THR 181 181 27879 1 . GLY 182 182 27879 1 . PHE 183 183 27879 1 . VAL 184 184 27879 1 . GLN 185 185 27879 1 . LEU 186 186 27879 1 . ASP 187 187 27879 1 . ASN 188 188 27879 1 . TYR 189 189 27879 1 . THR 190 190 27879 1 . SER 191 191 27879 1 . GLY 192 192 27879 1 . PHE 193 193 27879 1 . ASN 194 194 27879 1 . LYS 195 195 27879 1 . GLY 196 196 27879 1 . SER 197 197 27879 1 . LEU 198 198 27879 1 . VAL 199 199 27879 1 . ILE 200 200 27879 1 . ILE 201 201 27879 1 . GLY 202 202 27879 1 . ALA 203 203 27879 1 . ARG 204 204 27879 1 . PRO 205 205 27879 1 . SER 206 206 27879 1 . MET 207 207 27879 1 . GLY 208 208 27879 1 . LYS 209 209 27879 1 . THR 210 210 27879 1 . SER 211 211 27879 1 . LEU 212 212 27879 1 . MET 213 213 27879 1 . MET 214 214 27879 1 . ASN 215 215 27879 1 . MET 216 216 27879 1 . VAL 217 217 27879 1 . LEU 218 218 27879 1 . SER 219 219 27879 1 . ALA 220 220 27879 1 . LEU 221 221 27879 1 . ASN 222 222 27879 1 . ASP 223 223 27879 1 . ASP 224 224 27879 1 . ARG 225 225 27879 1 . GLY 226 226 27879 1 . VAL 227 227 27879 1 . ALA 228 228 27879 1 . VAL 229 229 27879 1 . PHE 230 230 27879 1 . SER 231 231 27879 1 . LEU 232 232 27879 1 . GLU 233 233 27879 1 . MET 234 234 27879 1 . SER 235 235 27879 1 . ALA 236 236 27879 1 . GLU 237 237 27879 1 . GLN 238 238 27879 1 . LEU 239 239 27879 1 . ALA 240 240 27879 1 . LEU 241 241 27879 1 . ARG 242 242 27879 1 . ALA 243 243 27879 1 . LEU 244 244 27879 1 . SER 245 245 27879 1 . ASP 246 246 27879 1 . LEU 247 247 27879 1 . THR 248 248 27879 1 . SER 249 249 27879 1 . ILE 250 250 27879 1 . ASN 251 251 27879 1 . MET 252 252 27879 1 . HIS 253 253 27879 1 . ASP 254 254 27879 1 . LEU 255 255 27879 1 . GLU 256 256 27879 1 . SER 257 257 27879 1 . GLY 258 258 27879 1 . ARG 259 259 27879 1 . LEU 260 260 27879 1 . ASP 261 261 27879 1 . ASP 262 262 27879 1 . ASP 263 263 27879 1 . GLN 264 264 27879 1 . TRP 265 265 27879 1 . GLU 266 266 27879 1 . ASN 267 267 27879 1 . LEU 268 268 27879 1 . ALA 269 269 27879 1 . LYS 270 270 27879 1 . CYS 271 271 27879 1 . PHE 272 272 27879 1 . ASP 273 273 27879 1 . HIS 274 274 27879 1 . LEU 275 275 27879 1 . SER 276 276 27879 1 . GLN 277 277 27879 1 . LYS 278 278 27879 1 . LYS 279 279 27879 1 . LEU 280 280 27879 1 . PHE 281 281 27879 1 . PHE 282 282 27879 1 . TYR 283 283 27879 1 . ASP 284 284 27879 1 . LYS 285 285 27879 1 . SER 286 286 27879 1 . TYR 287 287 27879 1 . VAL 288 288 27879 1 . ARG 289 289 27879 1 . ILE 290 290 27879 1 . GLU 291 291 27879 1 . GLN 292 292 27879 1 . ILE 293 293 27879 1 . ARG 294 294 27879 1 . LEU 295 295 27879 1 . GLN 296 296 27879 1 . LEU 297 297 27879 1 . ARG 298 298 27879 1 . LYS 299 299 27879 1 . LEU 300 300 27879 1 . LYS 301 301 27879 1 . SER 302 302 27879 1 . GLN 303 303 27879 1 . HIS 304 304 27879 1 . LYS 305 305 27879 1 . GLU 306 306 27879 1 . LEU 307 307 27879 1 . GLY 308 308 27879 1 . ILE 309 309 27879 1 . ALA 310 310 27879 1 . PHE 311 311 27879 1 . ILE 312 312 27879 1 . ASP 313 313 27879 1 . TYR 314 314 27879 1 . LEU 315 315 27879 1 . GLN 316 316 27879 1 . LEU 317 317 27879 1 . MET 318 318 27879 1 . SER 319 319 27879 1 . GLY 320 320 27879 1 . SER 321 321 27879 1 . LYS 322 322 27879 1 . ALA 323 323 27879 1 . THR 324 324 27879 1 . LYS 325 325 27879 1 . GLU 326 326 27879 1 . ARG 327 327 27879 1 . HIS 328 328 27879 1 . GLU 329 329 27879 1 . GLN 330 330 27879 1 . ILE 331 331 27879 1 . ALA 332 332 27879 1 . GLU 333 333 27879 1 . ILE 334 334 27879 1 . SER 335 335 27879 1 . ARG 336 336 27879 1 . GLU 337 337 27879 1 . LEU 338 338 27879 1 . LYS 339 339 27879 1 . THR 340 340 27879 1 . LEU 341 341 27879 1 . ALA 342 342 27879 1 . ARG 343 343 27879 1 . GLU 344 344 27879 1 . LEU 345 345 27879 1 . GLU 346 346 27879 1 . ILE 347 347 27879 1 . PRO 348 348 27879 1 . ILE 349 349 27879 1 . ILE 350 350 27879 1 . ALA 351 351 27879 1 . LEU 352 352 27879 1 . VAL 353 353 27879 1 . GLN 354 354 27879 1 . LEU 355 355 27879 1 . ASN 356 356 27879 1 . ARG 357 357 27879 1 . SER 358 358 27879 1 . LEU 359 359 27879 1 . GLU 360 360 27879 1 . ASN 361 361 27879 1 . ARG 362 362 27879 1 . ASP 363 363 27879 1 . ASP 364 364 27879 1 . LYS 365 365 27879 1 . ARG 366 366 27879 1 . PRO 367 367 27879 1 . ILE 368 368 27879 1 . LEU 369 369 27879 1 . SER 370 370 27879 1 . ASP 371 371 27879 1 . ILE 372 372 27879 1 . LYS 373 373 27879 1 . ASP 374 374 27879 1 . SER 375 375 27879 1 . GLY 376 376 27879 1 . GLY 377 377 27879 1 . ILE 378 378 27879 1 . GLU 379 379 27879 1 . GLN 380 380 27879 1 . ASP 381 381 27879 1 . ALA 382 382 27879 1 . ASP 383 383 27879 1 . ILE 384 384 27879 1 . VAL 385 385 27879 1 . LEU 386 386 27879 1 . PHE 387 387 27879 1 . LEU 388 388 27879 1 . TYR 389 389 27879 1 . ARG 390 390 27879 1 . GLY 391 391 27879 1 . TYR 392 392 27879 1 . ILE 393 393 27879 1 . TYR 394 394 27879 1 . GLN 395 395 27879 1 . MET 396 396 27879 1 . ARG 397 397 27879 1 . ALA 398 398 27879 1 . GLU 399 399 27879 1 . ASP 400 400 27879 1 . ASN 401 401 27879 1 . LYS 402 402 27879 1 . ILE 403 403 27879 1 . ASP 404 404 27879 1 . LYS 405 405 27879 1 . LEU 406 406 27879 1 . LYS 407 407 27879 1 . LYS 408 408 27879 1 . GLU 409 409 27879 1 . GLY 410 410 27879 1 . LYS 411 411 27879 1 . ILE 412 412 27879 1 . GLU 413 413 27879 1 . GLU 414 414 27879 1 . ALA 415 415 27879 1 . GLN 416 416 27879 1 . GLU 417 417 27879 1 . LEU 418 418 27879 1 . TYR 419 419 27879 1 . LEU 420 420 27879 1 . LYS 421 421 27879 1 . VAL 422 422 27879 1 . ASN 423 423 27879 1 . GLU 424 424 27879 1 . GLU 425 425 27879 1 . ARG 426 426 27879 1 . ARG 427 427 27879 1 . ILE 428 428 27879 1 . HIS 429 429 27879 1 . LYS 430 430 27879 1 . GLN 431 431 27879 1 . ASN 432 432 27879 1 . GLY 433 433 27879 1 . SER 434 434 27879 1 . ILE 435 435 27879 1 . GLU 436 436 27879 1 . GLU 437 437 27879 1 . ALA 438 438 27879 1 . GLU 439 439 27879 1 . ILE 440 440 27879 1 . ILE 441 441 27879 1 . VAL 442 442 27879 1 . ALA 443 443 27879 1 . LYS 444 444 27879 1 . ASN 445 445 27879 1 . ARG 446 446 27879 1 . ASN 447 447 27879 1 . GLY 448 448 27879 1 . ALA 449 449 27879 1 . THR 450 450 27879 1 . GLY 451 451 27879 1 . THR 452 452 27879 1 . VAL 453 453 27879 1 . TYR 454 454 27879 1 . THR 455 455 27879 1 . ARG 456 456 27879 1 . PHE 457 457 27879 1 . ASN 458 458 27879 1 . ALA 459 459 27879 1 . PRO 460 460 27879 1 . PHE 461 461 27879 1 . THR 462 462 27879 1 . ARG 463 463 27879 1 . TYR 464 464 27879 1 . GLU 465 465 27879 1 . ASP 466 466 27879 1 . MET 467 467 27879 1 . PRO 468 468 27879 1 . ILE 469 469 27879 1 . ASP 470 470 27879 1 . SER 471 471 27879 1 . HIS 472 472 27879 1 . LEU 473 473 27879 1 . GLU 474 474 27879 1 . GLU 475 475 27879 1 . GLY 476 476 27879 1 . GLN 477 477 27879 1 . GLU 478 478 27879 1 . THR 479 479 27879 1 . LYS 480 480 27879 1 . VAL 481 481 27879 1 . ASP 482 482 27879 1 . TYR 483 483 27879 1 . ASP 484 484 27879 1 . ILE 485 485 27879 1 . VAL 486 486 27879 1 . THR 487 487 27879 1 . THR 488 488 27879 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 27879 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 27879 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 27879 2 MG 'Three letter code' 27879 2 stop_ 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 1 MG $chem_comp_MG 27879 2 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 27879 _Entity.ID 3 _Entity.BMRB_code ADP _Entity.Name entity_ADP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 427.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 27879 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 27879 3 ADP 'Three letter code' 27879 3 stop_ 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 1 ADP $chem_comp_ADP 27879 3 stop_ save_ save_entity_ALF _Entity.Sf_category entity _Entity.Sf_framecode entity_ALF _Entity.Entry_ID 27879 _Entity.ID 4 _Entity.BMRB_code ALF _Entity.Name entity_ALF _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ALF _Entity.Nonpolymer_comp_label $chem_comp_ALF _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 102.975 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TETRAFLUOROALUMINATE ION' BMRB 27879 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'TETRAFLUOROALUMINATE ION' BMRB 27879 4 ALF 'Three letter code' 27879 4 stop_ 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 1 ALF $chem_comp_ALF 27879 4 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 27879 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DnaB_helicase . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27879 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 27879 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DnaB_helicase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pACYC-duet1 . . . 27879 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 27879 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 27879 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 27879 MG [Mg++] SMILES CACTVS 3.341 27879 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 27879 MG [Mg+2] SMILES ACDLabs 10.04 27879 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 27879 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27879 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 27879 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27879 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27879 MG stop_ save_ save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 27879 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 27879 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 27879 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 27879 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 27879 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 27879 ADP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 27879 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27879 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27879 ADP "adenosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 27879 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 27879 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 27879 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 27879 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 27879 ADP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 27879 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 27879 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 27879 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 27879 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 27879 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 27879 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 27879 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 27879 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 27879 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 27879 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 27879 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 27879 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 27879 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 27879 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 27879 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 27879 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 27879 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 27879 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 27879 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 27879 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 27879 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 27879 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 27879 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 27879 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 27879 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 27879 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 27879 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 27879 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 27879 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 27879 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 27879 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 27879 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 27879 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 27879 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 27879 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 27879 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 27879 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 27879 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 27879 ADP 2 . SING PB O2B no N 2 . 27879 ADP 3 . SING PB O3B no N 3 . 27879 ADP 4 . SING PB O3A no N 4 . 27879 ADP 5 . SING O2B HOB2 no N 5 . 27879 ADP 6 . SING O3B HOB3 no N 6 . 27879 ADP 7 . DOUB PA O1A no N 7 . 27879 ADP 8 . SING PA O2A no N 8 . 27879 ADP 9 . SING PA O3A no N 9 . 27879 ADP 10 . SING PA O5' no N 10 . 27879 ADP 11 . SING O2A HOA2 no N 11 . 27879 ADP 12 . SING O5' C5' no N 12 . 27879 ADP 13 . SING C5' C4' no N 13 . 27879 ADP 14 . SING C5' H5'1 no N 14 . 27879 ADP 15 . SING C5' H5'2 no N 15 . 27879 ADP 16 . SING C4' O4' no N 16 . 27879 ADP 17 . SING C4' C3' no N 17 . 27879 ADP 18 . SING C4' H4' no N 18 . 27879 ADP 19 . SING O4' C1' no N 19 . 27879 ADP 20 . SING C3' O3' no N 20 . 27879 ADP 21 . SING C3' C2' no N 21 . 27879 ADP 22 . SING C3' H3' no N 22 . 27879 ADP 23 . SING O3' HO3' no N 23 . 27879 ADP 24 . SING C2' O2' no N 24 . 27879 ADP 25 . SING C2' C1' no N 25 . 27879 ADP 26 . SING C2' H2' no N 26 . 27879 ADP 27 . SING O2' HO2' no N 27 . 27879 ADP 28 . SING C1' N9 no N 28 . 27879 ADP 29 . SING C1' H1' no N 29 . 27879 ADP 30 . SING N9 C8 yes N 30 . 27879 ADP 31 . SING N9 C4 yes N 31 . 27879 ADP 32 . DOUB C8 N7 yes N 32 . 27879 ADP 33 . SING C8 H8 no N 33 . 27879 ADP 34 . SING N7 C5 yes N 34 . 27879 ADP 35 . SING C5 C6 yes N 35 . 27879 ADP 36 . DOUB C5 C4 yes N 36 . 27879 ADP 37 . SING C6 N6 no N 37 . 27879 ADP 38 . DOUB C6 N1 yes N 38 . 27879 ADP 39 . SING N6 HN61 no N 39 . 27879 ADP 40 . SING N6 HN62 no N 40 . 27879 ADP 41 . SING N1 C2 yes N 41 . 27879 ADP 42 . DOUB C2 N3 yes N 42 . 27879 ADP 43 . SING C2 H2 no N 43 . 27879 ADP 44 . SING N3 C4 yes N 44 . 27879 ADP stop_ save_ save_chem_comp_ALF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ALF _Chem_comp.Entry_ID 27879 _Chem_comp.ID ALF _Chem_comp.Provenance PDB _Chem_comp.Name 'TETRAFLUOROALUMINATE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ALF _Chem_comp.PDB_code ALF _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ALF _Chem_comp.Number_atoms_all 5 _Chem_comp.Number_atoms_nh 5 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Al F4' _Chem_comp.Formula_weight 102.975 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1TAD _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID F[Al-](F)(F)F SMILES ACDLabs 10.04 27879 ALF F[Al-](F)(F)F SMILES CACTVS 3.341 27879 ALF F[Al-](F)(F)F SMILES 'OpenEye OEToolkits' 1.5.0 27879 ALF F[Al-](F)(F)F SMILES_CANONICAL CACTVS 3.341 27879 ALF F[Al-](F)(F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27879 ALF InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4 InChI InChI 1.03 27879 ALF UYOMQIYKOOHAMK-UHFFFAOYSA-J InChIKey InChI 1.03 27879 ALF stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID tetrafluoroaluminate(1-) 'SYSTEMATIC NAME' ACDLabs 10.04 27879 ALF tetrafluoroaluminum 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27879 ALF stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID AL AL AL AL . AL . . N -1 . . . 0 no no . . . . 7.392 . 68.829 . 74.609 . . . . 1 . 27879 ALF F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 8.574 . 70.028 . 75.184 . . . . 2 . 27879 ALF F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 6.161 . 67.636 . 74.036 . . . . 3 . 27879 ALF F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 8.325 . 68.619 . 73.094 . . . . 4 . 27879 ALF F4 F4 F4 F4 . F . . N 0 . . . 1 no no . . . . 6.468 . 69.049 . 76.125 . . . . 5 . 27879 ALF stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING AL F1 no N 1 . 27879 ALF 2 . SING AL F2 no N 2 . 27879 ALF 3 . SING AL F3 no N 3 . 27879 ALF 4 . SING AL F4 no N 4 . 27879 ALF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27879 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 'DnaB helicase' '[U-100% 13C; U-100% 15N]' . . 1 $DnaB_helicase . . 0.3 . . mM . . . . 27879 1 2 'Magnesium ion' 'natural abundance' . . 2 $entity_MG . . 5 . . mM . . . . 27879 1 3 ADP 'natural abundance' . . 3 $entity_ADP . . 5 . . mM . . . . 27879 1 4 AlF4- 'natural abundance' . . 4 $entity_ALF . . 5 . . mM . . . . 27879 1 5 (dT)20 'natural abundance' . . . . . . 1 . . mM . . . . 27879 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 27879 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 6.5 . pH 27879 1 temperature 292 . K 27879 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27879 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27879 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27879 1 . processing 27879 1 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 27879 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27879 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27879 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Bruker Avance . 500 . . . 27879 1 2 spectrometer_2 Bruker Avance . 850 . . . 27879 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 27879 _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 NCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 2 NCACX no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 3 NCOCX no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 4 CANCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 5 NcoCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 6 CANcoCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 7 hNCAH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 8 hCANH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 9 hNcoCAH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 10 hCAcoNH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 11 NCX no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 12 NHHP no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 13 CHHP no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 1 14 NCC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27879 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 27879 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27879 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27879 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27879 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 27879 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 NCACB . . . 27879 1 2 NCACX . . . 27879 1 3 NCOCX . . . 27879 1 4 CANCO . . . 27879 1 5 NcoCACB . . . 27879 1 6 CANcoCA . . . 27879 1 7 hNCAH . . . 27879 1 8 hCANH . . . 27879 1 9 hNcoCAH . . . 27879 1 10 hCAcoNH . . . 27879 1 11 NCX . . . 27879 1 12 NHHP . . . 27879 1 13 CHHP . . . 27879 1 14 NCC . . . 27879 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 177 177 THR H H 1 8.305 0.000 . 1 . . . . . 177 THR H . 27879 1 2 . 1 . 1 177 177 THR C C 13 176.267 0.057 . 1 . . . . . 177 THR C . 27879 1 3 . 1 . 1 177 177 THR CA C 13 63.009 0.095 . 1 . . . . . 177 THR CA . 27879 1 4 . 1 . 1 177 177 THR CB C 13 69.517 0.035 . 1 . . . . . 177 THR CB . 27879 1 5 . 1 . 1 177 177 THR CG2 C 13 21.880 0.000 . 1 . . . . . 177 THR CG2 . 27879 1 6 . 1 . 1 177 177 THR N N 15 116.701 0.139 . 1 . . . . . 177 THR N . 27879 1 7 . 1 . 1 178 178 GLY C C 13 171.604 0.010 . 1 . . . . . 178 GLY C . 27879 1 8 . 1 . 1 178 178 GLY CA C 13 43.136 0.059 . 1 . . . . . 178 GLY CA . 27879 1 9 . 1 . 1 178 178 GLY N N 15 110.944 0.096 . 1 . . . . . 178 GLY N . 27879 1 10 . 1 . 1 179 179 ILE H H 1 8.356 0.000 . 1 . . . . . 179 ILE H . 27879 1 11 . 1 . 1 179 179 ILE HA H 1 4.097 0.000 . 1 . . . . . 179 ILE HA . 27879 1 12 . 1 . 1 179 179 ILE C C 13 173.869 0.024 . 1 . . . . . 179 ILE C . 27879 1 13 . 1 . 1 179 179 ILE CA C 13 59.415 0.120 . 1 . . . . . 179 ILE CA . 27879 1 14 . 1 . 1 179 179 ILE CB C 13 40.358 0.001 . 1 . . . . . 179 ILE CB . 27879 1 15 . 1 . 1 179 179 ILE CG1 C 13 25.147 0.000 . 1 . . . . . 179 ILE CG1 . 27879 1 16 . 1 . 1 179 179 ILE CG2 C 13 16.114 0.000 . 1 . . . . . 179 ILE CG2 . 27879 1 17 . 1 . 1 179 179 ILE CD1 C 13 14.786 0.000 . 1 . . . . . 179 ILE CD1 . 27879 1 18 . 1 . 1 179 179 ILE N N 15 122.736 0.158 . 1 . . . . . 179 ILE N . 27879 1 19 . 1 . 1 180 180 PRO C C 13 177.015 0.035 . 1 . . . . . 180 PRO C . 27879 1 20 . 1 . 1 180 180 PRO CA C 13 62.611 0.117 . 1 . . . . . 180 PRO CA . 27879 1 21 . 1 . 1 180 180 PRO CB C 13 32.773 0.040 . 1 . . . . . 180 PRO CB . 27879 1 22 . 1 . 1 180 180 PRO CG C 13 27.576 0.001 . 1 . . . . . 180 PRO CG . 27879 1 23 . 1 . 1 180 180 PRO CD C 13 51.457 0.041 . 1 . . . . . 180 PRO CD . 27879 1 24 . 1 . 1 180 180 PRO N N 15 138.760 0.191 . 1 . . . . . 180 PRO N . 27879 1 25 . 1 . 1 181 181 THR H H 1 10.086 0.000 . 1 . . . . . 181 THR H . 27879 1 26 . 1 . 1 181 181 THR HA H 1 4.003 0.014 . 1 . . . . . 181 THR HA . 27879 1 27 . 1 . 1 181 181 THR C C 13 174.950 0.024 . 1 . . . . . 181 THR C . 27879 1 28 . 1 . 1 181 181 THR CA C 13 63.611 0.114 . 1 . . . . . 181 THR CA . 27879 1 29 . 1 . 1 181 181 THR CB C 13 71.913 0.022 . 1 . . . . . 181 THR CB . 27879 1 30 . 1 . 1 181 181 THR CG2 C 13 19.643 0.002 . 1 . . . . . 181 THR CG2 . 27879 1 31 . 1 . 1 181 181 THR N N 15 113.649 0.233 . 1 . . . . . 181 THR N . 27879 1 32 . 1 . 1 182 182 GLY H H 1 8.173 0.006 . 1 . . . . . 182 GLY H . 27879 1 33 . 1 . 1 182 182 GLY HA2 H 1 4.111 0.009 . 2 . . . . . 182 GLY HA2 . 27879 1 34 . 1 . 1 182 182 GLY HA3 H 1 3.205 0.009 . 2 . . . . . 182 GLY HA3 . 27879 1 35 . 1 . 1 182 182 GLY C C 13 173.556 0.134 . 1 . . . . . 182 GLY C . 27879 1 36 . 1 . 1 182 182 GLY CA C 13 44.317 0.062 . 1 . . . . . 182 GLY CA . 27879 1 37 . 1 . 1 182 182 GLY N N 15 106.646 0.069 . 1 . . . . . 182 GLY N . 27879 1 38 . 1 . 1 183 183 PHE H H 1 7.597 0.021 . 1 . . . . . 183 PHE H . 27879 1 39 . 1 . 1 183 183 PHE HA H 1 4.732 0.001 . 1 . . . . . 183 PHE HA . 27879 1 40 . 1 . 1 183 183 PHE C C 13 176.345 0.017 . 1 . . . . . 183 PHE C . 27879 1 41 . 1 . 1 183 183 PHE CA C 13 55.630 0.103 . 1 . . . . . 183 PHE CA . 27879 1 42 . 1 . 1 183 183 PHE CB C 13 40.255 0.014 . 1 . . . . . 183 PHE CB . 27879 1 43 . 1 . 1 183 183 PHE CG C 13 137.985 0.000 . 1 . . . . . 183 PHE CG . 27879 1 44 . 1 . 1 183 183 PHE N N 15 118.498 0.243 . 1 . . . . . 183 PHE N . 27879 1 45 . 1 . 1 184 184 VAL H H 1 9.803 0.005 . 1 . . . . . 184 VAL H . 27879 1 46 . 1 . 1 184 184 VAL HA H 1 3.683 0.009 . 1 . . . . . 184 VAL HA . 27879 1 47 . 1 . 1 184 184 VAL C C 13 178.978 0.019 . 1 . . . . . 184 VAL C . 27879 1 48 . 1 . 1 184 184 VAL CA C 13 67.197 0.103 . 1 . . . . . 184 VAL CA . 27879 1 49 . 1 . 1 184 184 VAL CB C 13 31.786 0.095 . 1 . . . . . 184 VAL CB . 27879 1 50 . 1 . 1 184 184 VAL CG1 C 13 20.983 0.012 . 2 . . . . . 184 VAL CG1 . 27879 1 51 . 1 . 1 184 184 VAL CG2 C 13 22.485 0.016 . 2 . . . . . 184 VAL CG2 . 27879 1 52 . 1 . 1 184 184 VAL N N 15 129.395 0.068 . 1 . . . . . 184 VAL N . 27879 1 53 . 1 . 1 185 185 GLN H H 1 10.232 0.005 . 1 . . . . . 185 GLN H . 27879 1 54 . 1 . 1 185 185 GLN C C 13 179.164 0.000 . 1 . . . . . 185 GLN C . 27879 1 55 . 1 . 1 185 185 GLN CA C 13 57.781 0.168 . 1 . . . . . 185 GLN CA . 27879 1 56 . 1 . 1 185 185 GLN CB C 13 28.938 0.000 . 1 . . . . . 185 GLN CB . 27879 1 57 . 1 . 1 185 185 GLN CG C 13 32.480 0.000 . 1 . . . . . 185 GLN CG . 27879 1 58 . 1 . 1 185 185 GLN N N 15 117.934 0.166 . 1 . . . . . 185 GLN N . 27879 1 59 . 1 . 1 187 187 ASP C C 13 177.335 0.029 . 1 . . . . . 187 ASP C . 27879 1 60 . 1 . 1 187 187 ASP CA C 13 59.353 0.161 . 1 . . . . . 187 ASP CA . 27879 1 61 . 1 . 1 187 187 ASP CB C 13 41.534 0.007 . 1 . . . . . 187 ASP CB . 27879 1 62 . 1 . 1 188 188 ASN H H 1 8.034 0.006 . 1 . . . . . 188 ASN H . 27879 1 63 . 1 . 1 188 188 ASN HA H 1 4.437 0.017 . 1 . . . . . 188 ASN HA . 27879 1 64 . 1 . 1 188 188 ASN C C 13 177.810 0.062 . 1 . . . . . 188 ASN C . 27879 1 65 . 1 . 1 188 188 ASN CA C 13 56.091 0.044 . 1 . . . . . 188 ASN CA . 27879 1 66 . 1 . 1 188 188 ASN CB C 13 37.687 0.044 . 1 . . . . . 188 ASN CB . 27879 1 67 . 1 . 1 188 188 ASN N N 15 119.256 0.132 . 1 . . . . . 188 ASN N . 27879 1 68 . 1 . 1 189 189 TYR H H 1 7.911 0.000 . 1 . . . . . 189 TYR H . 27879 1 69 . 1 . 1 189 189 TYR HA H 1 4.250 0.007 . 1 . . . . . 189 TYR HA . 27879 1 70 . 1 . 1 189 189 TYR C C 13 179.969 0.060 . 1 . . . . . 189 TYR C . 27879 1 71 . 1 . 1 189 189 TYR CA C 13 62.329 0.108 . 1 . . . . . 189 TYR CA . 27879 1 72 . 1 . 1 189 189 TYR CB C 13 39.717 0.062 . 1 . . . . . 189 TYR CB . 27879 1 73 . 1 . 1 189 189 TYR CD1 C 13 132.713 0.000 . 1 . . . . . 189 TYR CD1 . 27879 1 74 . 1 . 1 189 189 TYR CD2 C 13 132.713 0.000 . 1 . . . . . 189 TYR CD2 . 27879 1 75 . 1 . 1 189 189 TYR N N 15 115.375 0.155 . 1 . . . . . 189 TYR N . 27879 1 76 . 1 . 1 190 190 THR H H 1 8.168 0.000 . 1 . . . . . 190 THR H . 27879 1 77 . 1 . 1 190 190 THR HA H 1 4.285 0.009 . 1 . . . . . 190 THR HA . 27879 1 78 . 1 . 1 190 190 THR C C 13 175.079 0.023 . 1 . . . . . 190 THR C . 27879 1 79 . 1 . 1 190 190 THR CA C 13 63.604 0.080 . 1 . . . . . 190 THR CA . 27879 1 80 . 1 . 1 190 190 THR CB C 13 71.473 0.017 . 1 . . . . . 190 THR CB . 27879 1 81 . 1 . 1 190 190 THR CG2 C 13 21.881 0.012 . 1 . . . . . 190 THR CG2 . 27879 1 82 . 1 . 1 190 190 THR N N 15 106.582 0.072 . 1 . . . . . 190 THR N . 27879 1 83 . 1 . 1 191 191 SER H H 1 8.856 0.007 . 1 . . . . . 191 SER H . 27879 1 84 . 1 . 1 191 191 SER HA H 1 4.067 0.004 . 1 . . . . . 191 SER HA . 27879 1 85 . 1 . 1 191 191 SER C C 13 176.045 0.019 . 1 . . . . . 191 SER C . 27879 1 86 . 1 . 1 191 191 SER CA C 13 60.397 0.067 . 1 . . . . . 191 SER CA . 27879 1 87 . 1 . 1 191 191 SER CB C 13 63.711 0.035 . 1 . . . . . 191 SER CB . 27879 1 88 . 1 . 1 191 191 SER N N 15 118.027 0.186 . 1 . . . . . 191 SER N . 27879 1 89 . 1 . 1 192 192 GLY H H 1 8.312 0.000 . 1 . . . . . 192 GLY H . 27879 1 90 . 1 . 1 192 192 GLY HA2 H 1 3.552 0.000 . 2 . . . . . 192 GLY HA2 . 27879 1 91 . 1 . 1 192 192 GLY HA3 H 1 3.077 0.022 . 2 . . . . . 192 GLY HA3 . 27879 1 92 . 1 . 1 192 192 GLY C C 13 171.159 0.029 . 1 . . . . . 192 GLY C . 27879 1 93 . 1 . 1 192 192 GLY CA C 13 43.572 0.066 . 1 . . . . . 192 GLY CA . 27879 1 94 . 1 . 1 192 192 GLY N N 15 108.421 0.134 . 1 . . . . . 192 GLY N . 27879 1 95 . 1 . 1 193 193 PHE H H 1 8.975 0.004 . 1 . . . . . 193 PHE H . 27879 1 96 . 1 . 1 193 193 PHE HA H 1 5.347 0.026 . 1 . . . . . 193 PHE HA . 27879 1 97 . 1 . 1 193 193 PHE C C 13 177.007 0.020 . 1 . . . . . 193 PHE C . 27879 1 98 . 1 . 1 193 193 PHE CA C 13 53.282 0.201 . 1 . . . . . 193 PHE CA . 27879 1 99 . 1 . 1 193 193 PHE CB C 13 38.145 0.055 . 1 . . . . . 193 PHE CB . 27879 1 100 . 1 . 1 193 193 PHE N N 15 115.260 0.094 . 1 . . . . . 193 PHE N . 27879 1 101 . 1 . 1 194 194 ASN H H 1 9.919 0.031 . 1 . . . . . 194 ASN H . 27879 1 102 . 1 . 1 194 194 ASN HA H 1 4.842 0.012 . 1 . . . . . 194 ASN HA . 27879 1 103 . 1 . 1 194 194 ASN C C 13 174.044 0.018 . 1 . . . . . 194 ASN C . 27879 1 104 . 1 . 1 194 194 ASN CA C 13 53.968 0.123 . 1 . . . . . 194 ASN CA . 27879 1 105 . 1 . 1 194 194 ASN CB C 13 42.262 0.032 . 1 . . . . . 194 ASN CB . 27879 1 106 . 1 . 1 194 194 ASN CG C 13 177.020 0.015 . 1 . . . . . 194 ASN CG . 27879 1 107 . 1 . 1 194 194 ASN N N 15 127.111 0.262 . 1 . . . . . 194 ASN N . 27879 1 108 . 1 . 1 195 195 LYS H H 1 8.554 0.004 . 1 . . . . . 195 LYS H . 27879 1 109 . 1 . 1 195 195 LYS HA H 1 4.542 0.000 . 1 . . . . . 195 LYS HA . 27879 1 110 . 1 . 1 195 195 LYS C C 13 177.027 0.062 . 1 . . . . . 195 LYS C . 27879 1 111 . 1 . 1 195 195 LYS CA C 13 59.109 0.122 . 1 . . . . . 195 LYS CA . 27879 1 112 . 1 . 1 195 195 LYS CB C 13 33.364 0.023 . 1 . . . . . 195 LYS CB . 27879 1 113 . 1 . 1 195 195 LYS CG C 13 25.165 0.033 . 1 . . . . . 195 LYS CG . 27879 1 114 . 1 . 1 195 195 LYS N N 15 119.945 0.120 . 1 . . . . . 195 LYS N . 27879 1 115 . 1 . 1 196 196 GLY H H 1 6.446 0.000 . 1 . . . . . 196 GLY H . 27879 1 116 . 1 . 1 196 196 GLY HA2 H 1 4.162 0.011 . 2 . . . . . 196 GLY HA2 . 27879 1 117 . 1 . 1 196 196 GLY HA3 H 1 3.244 0.029 . 2 . . . . . 196 GLY HA3 . 27879 1 118 . 1 . 1 196 196 GLY C C 13 172.574 0.015 . 1 . . . . . 196 GLY C . 27879 1 119 . 1 . 1 196 196 GLY CA C 13 45.410 0.068 . 1 . . . . . 196 GLY CA . 27879 1 120 . 1 . 1 196 196 GLY N N 15 108.937 0.173 . 1 . . . . . 196 GLY N . 27879 1 121 . 1 . 1 197 197 SER H H 1 7.337 0.007 . 1 . . . . . 197 SER H . 27879 1 122 . 1 . 1 197 197 SER HA H 1 4.575 0.003 . 1 . . . . . 197 SER HA . 27879 1 123 . 1 . 1 197 197 SER C C 13 171.422 0.012 . 1 . . . . . 197 SER C . 27879 1 124 . 1 . 1 197 197 SER CA C 13 58.866 0.076 . 1 . . . . . 197 SER CA . 27879 1 125 . 1 . 1 197 197 SER CB C 13 65.330 0.020 . 1 . . . . . 197 SER CB . 27879 1 126 . 1 . 1 197 197 SER N N 15 115.233 0.081 . 1 . . . . . 197 SER N . 27879 1 127 . 1 . 1 198 198 LEU H H 1 8.191 0.000 . 1 . . . . . 198 LEU H . 27879 1 128 . 1 . 1 198 198 LEU HA H 1 5.251 0.006 . 1 . . . . . 198 LEU HA . 27879 1 129 . 1 . 1 198 198 LEU C C 13 175.015 0.037 . 1 . . . . . 198 LEU C . 27879 1 130 . 1 . 1 198 198 LEU CA C 13 53.639 0.085 . 1 . . . . . 198 LEU CA . 27879 1 131 . 1 . 1 198 198 LEU CB C 13 44.791 0.046 . 1 . . . . . 198 LEU CB . 27879 1 132 . 1 . 1 198 198 LEU CG C 13 28.288 0.004 . 1 . . . . . 198 LEU CG . 27879 1 133 . 1 . 1 198 198 LEU CD1 C 13 26.711 0.000 . 2 . . . . . 198 LEU CD1 . 27879 1 134 . 1 . 1 198 198 LEU CD2 C 13 23.119 0.021 . 2 . . . . . 198 LEU CD2 . 27879 1 135 . 1 . 1 198 198 LEU N N 15 123.942 0.081 . 1 . . . . . 198 LEU N . 27879 1 136 . 1 . 1 199 199 VAL H H 1 9.280 0.012 . 1 . . . . . 199 VAL H . 27879 1 137 . 1 . 1 199 199 VAL HA H 1 4.758 0.005 . 1 . . . . . 199 VAL HA . 27879 1 138 . 1 . 1 199 199 VAL C C 13 172.927 0.026 . 1 . . . . . 199 VAL C . 27879 1 139 . 1 . 1 199 199 VAL CA C 13 60.129 0.100 . 1 . . . . . 199 VAL CA . 27879 1 140 . 1 . 1 199 199 VAL CB C 13 33.136 0.044 . 1 . . . . . 199 VAL CB . 27879 1 141 . 1 . 1 199 199 VAL CG1 C 13 19.726 0.023 . 1 . . . . . 199 VAL CG1 . 27879 1 142 . 1 . 1 199 199 VAL N N 15 130.244 0.099 . 1 . . . . . 199 VAL N . 27879 1 143 . 1 . 1 200 200 ILE H H 1 8.773 0.008 . 1 . . . . . 200 ILE H . 27879 1 144 . 1 . 1 200 200 ILE HA H 1 5.478 0.003 . 1 . . . . . 200 ILE HA . 27879 1 145 . 1 . 1 200 200 ILE C C 13 175.449 0.055 . 1 . . . . . 200 ILE C . 27879 1 146 . 1 . 1 200 200 ILE CA C 13 55.332 0.079 . 1 . . . . . 200 ILE CA . 27879 1 147 . 1 . 1 200 200 ILE CB C 13 38.416 0.034 . 1 . . . . . 200 ILE CB . 27879 1 148 . 1 . 1 200 200 ILE CG1 C 13 27.768 0.000 . 1 . . . . . 200 ILE CG1 . 27879 1 149 . 1 . 1 200 200 ILE CG2 C 13 19.671 0.001 . 1 . . . . . 200 ILE CG2 . 27879 1 150 . 1 . 1 200 200 ILE CD1 C 13 10.012 0.000 . 1 . . . . . 200 ILE CD1 . 27879 1 151 . 1 . 1 200 200 ILE N N 15 127.634 0.075 . 1 . . . . . 200 ILE N . 27879 1 152 . 1 . 1 201 201 ILE H H 1 8.230 0.015 . 1 . . . . . 201 ILE H . 27879 1 153 . 1 . 1 201 201 ILE HA H 1 5.172 0.004 . 1 . . . . . 201 ILE HA . 27879 1 154 . 1 . 1 201 201 ILE C C 13 175.143 0.043 . 1 . . . . . 201 ILE C . 27879 1 155 . 1 . 1 201 201 ILE CA C 13 59.997 0.077 . 1 . . . . . 201 ILE CA . 27879 1 156 . 1 . 1 201 201 ILE CB C 13 40.057 0.013 . 1 . . . . . 201 ILE CB . 27879 1 157 . 1 . 1 201 201 ILE CG1 C 13 27.119 0.079 . 1 . . . . . 201 ILE CG1 . 27879 1 158 . 1 . 1 201 201 ILE CG2 C 13 16.524 0.022 . 1 . . . . . 201 ILE CG2 . 27879 1 159 . 1 . 1 201 201 ILE CD1 C 13 14.240 0.032 . 1 . . . . . 201 ILE CD1 . 27879 1 160 . 1 . 1 201 201 ILE N N 15 125.469 0.121 . 1 . . . . . 201 ILE N . 27879 1 161 . 1 . 1 202 202 GLY H H 1 9.802 0.006 . 1 . . . . . 202 GLY H . 27879 1 162 . 1 . 1 202 202 GLY HA2 H 1 6.097 0.000 . 2 . . . . . 202 GLY HA2 . 27879 1 163 . 1 . 1 202 202 GLY HA3 H 1 3.327 0.013 . 2 . . . . . 202 GLY HA3 . 27879 1 164 . 1 . 1 202 202 GLY C C 13 171.945 0.017 . 1 . . . . . 202 GLY C . 27879 1 165 . 1 . 1 202 202 GLY CA C 13 44.712 0.102 . 1 . . . . . 202 GLY CA . 27879 1 166 . 1 . 1 202 202 GLY N N 15 112.395 0.120 . 1 . . . . . 202 GLY N . 27879 1 167 . 1 . 1 203 203 ALA H H 1 7.657 0.021 . 1 . . . . . 203 ALA H . 27879 1 168 . 1 . 1 203 203 ALA HA H 1 4.601 0.002 . 1 . . . . . 203 ALA HA . 27879 1 169 . 1 . 1 203 203 ALA C C 13 176.628 0.055 . 1 . . . . . 203 ALA C . 27879 1 170 . 1 . 1 203 203 ALA CA C 13 51.636 0.051 . 1 . . . . . 203 ALA CA . 27879 1 171 . 1 . 1 203 203 ALA CB C 13 24.544 0.010 . 1 . . . . . 203 ALA CB . 27879 1 172 . 1 . 1 203 203 ALA N N 15 118.972 0.112 . 1 . . . . . 203 ALA N . 27879 1 173 . 1 . 1 204 204 ARG H H 1 8.345 0.004 . 1 . . . . . 204 ARG H . 27879 1 174 . 1 . 1 204 204 ARG C C 13 172.967 0.029 . 1 . . . . . 204 ARG C . 27879 1 175 . 1 . 1 204 204 ARG CA C 13 52.784 0.097 . 1 . . . . . 204 ARG CA . 27879 1 176 . 1 . 1 204 204 ARG CB C 13 26.677 0.000 . 1 . . . . . 204 ARG CB . 27879 1 177 . 1 . 1 204 204 ARG N N 15 117.986 0.237 . 1 . . . . . 204 ARG N . 27879 1 178 . 1 . 1 205 205 PRO HA H 1 4.805 0.000 . 1 . . . . . 205 PRO HA . 27879 1 179 . 1 . 1 205 205 PRO C C 13 177.464 0.010 . 1 . . . . . 205 PRO C . 27879 1 180 . 1 . 1 205 205 PRO CA C 13 63.923 0.067 . 1 . . . . . 205 PRO CA . 27879 1 181 . 1 . 1 205 205 PRO CB C 13 32.486 0.034 . 1 . . . . . 205 PRO CB . 27879 1 182 . 1 . 1 205 205 PRO CD C 13 50.810 0.000 . 1 . . . . . 205 PRO CD . 27879 1 183 . 1 . 1 205 205 PRO N N 15 131.827 0.110 . 1 . . . . . 205 PRO N . 27879 1 184 . 1 . 1 206 206 SER H H 1 9.433 0.005 . 1 . . . . . 206 SER H . 27879 1 185 . 1 . 1 206 206 SER HA H 1 4.558 0.009 . 1 . . . . . 206 SER HA . 27879 1 186 . 1 . 1 206 206 SER C C 13 175.667 0.064 . 1 . . . . . 206 SER C . 27879 1 187 . 1 . 1 206 206 SER CA C 13 60.229 0.168 . 1 . . . . . 206 SER CA . 27879 1 188 . 1 . 1 206 206 SER CB C 13 68.419 0.146 . 1 . . . . . 206 SER CB . 27879 1 189 . 1 . 1 206 206 SER N N 15 121.089 0.136 . 1 . . . . . 206 SER N . 27879 1 190 . 1 . 1 207 207 MET H H 1 7.450 0.019 . 1 . . . . . 207 MET H . 27879 1 191 . 1 . 1 207 207 MET HA H 1 4.513 0.003 . 1 . . . . . 207 MET HA . 27879 1 192 . 1 . 1 207 207 MET C C 13 174.809 0.076 . 1 . . . . . 207 MET C . 27879 1 193 . 1 . 1 207 207 MET CA C 13 54.498 0.063 . 1 . . . . . 207 MET CA . 27879 1 194 . 1 . 1 207 207 MET CB C 13 33.238 0.152 . 1 . . . . . 207 MET CB . 27879 1 195 . 1 . 1 207 207 MET N N 15 115.641 0.117 . 1 . . . . . 207 MET N . 27879 1 196 . 1 . 1 208 208 GLY H H 1 8.196 0.026 . 1 . . . . . 208 GLY H . 27879 1 197 . 1 . 1 208 208 GLY C C 13 174.081 0.016 . 1 . . . . . 208 GLY C . 27879 1 198 . 1 . 1 208 208 GLY CA C 13 45.149 0.191 . 1 . . . . . 208 GLY CA . 27879 1 199 . 1 . 1 208 208 GLY N N 15 104.824 0.272 . 1 . . . . . 208 GLY N . 27879 1 200 . 1 . 1 209 209 LYS H H 1 11.047 0.033 . 1 . . . . . 209 LYS H . 27879 1 201 . 1 . 1 209 209 LYS HA H 1 3.774 0.003 . 1 . . . . . 209 LYS HA . 27879 1 202 . 1 . 1 209 209 LYS HZ1 H 1 6.929 0.000 . 1 . . . . . 209 LYS HZ1 . 27879 1 203 . 1 . 1 209 209 LYS HZ2 H 1 6.929 0.000 . 1 . . . . . 209 LYS HZ2 . 27879 1 204 . 1 . 1 209 209 LYS HZ3 H 1 6.929 0.000 . 1 . . . . . 209 LYS HZ3 . 27879 1 205 . 1 . 1 209 209 LYS C C 13 178.383 0.018 . 1 . . . . . 209 LYS C . 27879 1 206 . 1 . 1 209 209 LYS CA C 13 60.792 0.150 . 1 . . . . . 209 LYS CA . 27879 1 207 . 1 . 1 209 209 LYS CB C 13 29.479 0.066 . 1 . . . . . 209 LYS CB . 27879 1 208 . 1 . 1 209 209 LYS CG C 13 24.491 0.057 . 1 . . . . . 209 LYS CG . 27879 1 209 . 1 . 1 209 209 LYS CD C 13 28.754 0.029 . 1 . . . . . 209 LYS CD . 27879 1 210 . 1 . 1 209 209 LYS CE C 13 38.959 0.194 . 1 . . . . . 209 LYS CE . 27879 1 211 . 1 . 1 209 209 LYS N N 15 126.923 0.120 . 1 . . . . . 209 LYS N . 27879 1 212 . 1 . 1 209 209 LYS NZ N 15 30.977 0.099 . 1 . . . . . 209 LYS NZ . 27879 1 213 . 1 . 1 210 210 THR H H 1 9.695 0.010 . 1 . . . . . 210 THR H . 27879 1 214 . 1 . 1 210 210 THR HA H 1 4.399 0.015 . 1 . . . . . 210 THR HA . 27879 1 215 . 1 . 1 210 210 THR C C 13 178.155 0.013 . 1 . . . . . 210 THR C . 27879 1 216 . 1 . 1 210 210 THR CA C 13 67.467 0.078 . 1 . . . . . 210 THR CA . 27879 1 217 . 1 . 1 210 210 THR CB C 13 67.804 0.104 . 1 . . . . . 210 THR CB . 27879 1 218 . 1 . 1 210 210 THR CG2 C 13 22.409 0.008 . 1 . . . . . 210 THR CG2 . 27879 1 219 . 1 . 1 210 210 THR N N 15 118.747 0.063 . 1 . . . . . 210 THR N . 27879 1 220 . 1 . 1 211 211 SER H H 1 7.723 0.016 . 1 . . . . . 211 SER H . 27879 1 221 . 1 . 1 211 211 SER HA H 1 4.683 0.000 . 1 . . . . . 211 SER HA . 27879 1 222 . 1 . 1 211 211 SER C C 13 172.981 0.017 . 1 . . . . . 211 SER C . 27879 1 223 . 1 . 1 211 211 SER CA C 13 63.485 0.086 . 1 . . . . . 211 SER CA . 27879 1 224 . 1 . 1 211 211 SER CB C 13 62.581 0.080 . 1 . . . . . 211 SER CB . 27879 1 225 . 1 . 1 211 211 SER N N 15 122.153 0.055 . 1 . . . . . 211 SER N . 27879 1 226 . 1 . 1 212 212 LEU C C 13 179.051 0.037 . 1 . . . . . 212 LEU C . 27879 1 227 . 1 . 1 212 212 LEU CA C 13 57.202 0.097 . 1 . . . . . 212 LEU CA . 27879 1 228 . 1 . 1 212 212 LEU CB C 13 41.521 0.050 . 1 . . . . . 212 LEU CB . 27879 1 229 . 1 . 1 212 212 LEU CD1 C 13 24.646 0.053 . 2 . . . . . 212 LEU CD1 . 27879 1 230 . 1 . 1 212 212 LEU CD2 C 13 26.410 0.000 . 2 . . . . . 212 LEU CD2 . 27879 1 231 . 1 . 1 212 212 LEU N N 15 122.610 0.092 . 1 . . . . . 212 LEU N . 27879 1 232 . 1 . 1 213 213 MET H H 1 9.031 0.026 . 1 . . . . . 213 MET H . 27879 1 233 . 1 . 1 213 213 MET HA H 1 3.793 0.043 . 1 . . . . . 213 MET HA . 27879 1 234 . 1 . 1 213 213 MET C C 13 177.516 0.019 . 1 . . . . . 213 MET C . 27879 1 235 . 1 . 1 213 213 MET CA C 13 59.800 0.054 . 1 . . . . . 213 MET CA . 27879 1 236 . 1 . 1 213 213 MET CB C 13 33.418 0.030 . 1 . . . . . 213 MET CB . 27879 1 237 . 1 . 1 213 213 MET CG C 13 31.976 0.009 . 1 . . . . . 213 MET CG . 27879 1 238 . 1 . 1 213 213 MET CE C 13 18.269 0.000 . 1 . . . . . 213 MET CE . 27879 1 239 . 1 . 1 213 213 MET N N 15 116.362 0.245 . 1 . . . . . 213 MET N . 27879 1 240 . 1 . 1 214 214 MET H H 1 7.832 0.007 . 1 . . . . . 214 MET H . 27879 1 241 . 1 . 1 214 214 MET HA H 1 4.615 0.000 . 1 . . . . . 214 MET HA . 27879 1 242 . 1 . 1 214 214 MET C C 13 178.664 0.088 . 1 . . . . . 214 MET C . 27879 1 243 . 1 . 1 214 214 MET CA C 13 55.290 0.095 . 1 . . . . . 214 MET CA . 27879 1 244 . 1 . 1 214 214 MET CB C 13 27.310 0.033 . 1 . . . . . 214 MET CB . 27879 1 245 . 1 . 1 214 214 MET CG C 13 32.583 0.000 . 1 . . . . . 214 MET CG . 27879 1 246 . 1 . 1 214 214 MET N N 15 113.092 0.150 . 1 . . . . . 214 MET N . 27879 1 247 . 1 . 1 215 215 ASN H H 1 8.383 0.002 . 1 . . . . . 215 ASN H . 27879 1 248 . 1 . 1 215 215 ASN HA H 1 4.448 0.003 . 1 . . . . . 215 ASN HA . 27879 1 249 . 1 . 1 215 215 ASN C C 13 179.103 0.016 . 1 . . . . . 215 ASN C . 27879 1 250 . 1 . 1 215 215 ASN CA C 13 57.375 0.112 . 1 . . . . . 215 ASN CA . 27879 1 251 . 1 . 1 215 215 ASN CB C 13 40.147 0.098 . 1 . . . . . 215 ASN CB . 27879 1 252 . 1 . 1 215 215 ASN N N 15 120.675 0.190 . 1 . . . . . 215 ASN N . 27879 1 253 . 1 . 1 216 216 MET H H 1 8.516 0.025 . 1 . . . . . 216 MET H . 27879 1 254 . 1 . 1 216 216 MET HA H 1 4.292 0.000 . 1 . . . . . 216 MET HA . 27879 1 255 . 1 . 1 216 216 MET C C 13 179.463 0.052 . 1 . . . . . 216 MET C . 27879 1 256 . 1 . 1 216 216 MET CA C 13 59.926 0.096 . 1 . . . . . 216 MET CA . 27879 1 257 . 1 . 1 216 216 MET CB C 13 32.677 0.007 . 1 . . . . . 216 MET CB . 27879 1 258 . 1 . 1 216 216 MET CG C 13 34.265 0.008 . 1 . . . . . 216 MET CG . 27879 1 259 . 1 . 1 216 216 MET CE C 13 18.955 0.000 . 1 . . . . . 216 MET CE . 27879 1 260 . 1 . 1 216 216 MET N N 15 121.451 0.244 . 1 . . . . . 216 MET N . 27879 1 261 . 1 . 1 217 217 VAL H H 1 8.887 0.005 . 1 . . . . . 217 VAL H . 27879 1 262 . 1 . 1 217 217 VAL HA H 1 3.306 0.007 . 1 . . . . . 217 VAL HA . 27879 1 263 . 1 . 1 217 217 VAL C C 13 177.517 0.039 . 1 . . . . . 217 VAL C . 27879 1 264 . 1 . 1 217 217 VAL CA C 13 66.507 0.103 . 1 . . . . . 217 VAL CA . 27879 1 265 . 1 . 1 217 217 VAL CB C 13 31.275 0.034 . 1 . . . . . 217 VAL CB . 27879 1 266 . 1 . 1 217 217 VAL CG1 C 13 23.105 0.007 . 2 . . . . . 217 VAL CG1 . 27879 1 267 . 1 . 1 217 217 VAL CG2 C 13 22.010 0.015 . 2 . . . . . 217 VAL CG2 . 27879 1 268 . 1 . 1 217 217 VAL N N 15 124.307 0.106 . 1 . . . . . 217 VAL N . 27879 1 269 . 1 . 1 218 218 LEU H H 1 7.944 0.041 . 1 . . . . . 218 LEU H . 27879 1 270 . 1 . 1 218 218 LEU HA H 1 4.030 0.019 . 1 . . . . . 218 LEU HA . 27879 1 271 . 1 . 1 218 218 LEU C C 13 179.623 0.018 . 1 . . . . . 218 LEU C . 27879 1 272 . 1 . 1 218 218 LEU CA C 13 58.533 0.123 . 1 . . . . . 218 LEU CA . 27879 1 273 . 1 . 1 218 218 LEU CB C 13 40.473 0.055 . 1 . . . . . 218 LEU CB . 27879 1 274 . 1 . 1 218 218 LEU CG C 13 26.949 0.017 . 1 . . . . . 218 LEU CG . 27879 1 275 . 1 . 1 218 218 LEU CD1 C 13 25.748 0.000 . 1 . . . . . 218 LEU CD1 . 27879 1 276 . 1 . 1 218 218 LEU N N 15 117.722 0.256 . 1 . . . . . 218 LEU N . 27879 1 277 . 1 . 1 219 219 SER H H 1 7.963 0.002 . 1 . . . . . 219 SER H . 27879 1 278 . 1 . 1 219 219 SER HA H 1 4.187 0.014 . 1 . . . . . 219 SER HA . 27879 1 279 . 1 . 1 219 219 SER C C 13 176.887 0.080 . 1 . . . . . 219 SER C . 27879 1 280 . 1 . 1 219 219 SER CA C 13 62.152 0.152 . 1 . . . . . 219 SER CA . 27879 1 281 . 1 . 1 219 219 SER CB C 13 62.746 0.000 . 1 . . . . . 219 SER CB . 27879 1 282 . 1 . 1 219 219 SER N N 15 114.913 0.185 . 1 . . . . . 219 SER N . 27879 1 283 . 1 . 1 220 220 ALA H H 1 8.206 0.016 . 1 . . . . . 220 ALA H . 27879 1 284 . 1 . 1 220 220 ALA HA H 1 4.075 0.007 . 1 . . . . . 220 ALA HA . 27879 1 285 . 1 . 1 220 220 ALA C C 13 181.136 0.033 . 1 . . . . . 220 ALA C . 27879 1 286 . 1 . 1 220 220 ALA CA C 13 55.259 0.078 . 1 . . . . . 220 ALA CA . 27879 1 287 . 1 . 1 220 220 ALA CB C 13 18.223 0.014 . 1 . . . . . 220 ALA CB . 27879 1 288 . 1 . 1 220 220 ALA N N 15 123.690 0.161 . 1 . . . . . 220 ALA N . 27879 1 289 . 1 . 1 221 221 LEU H H 1 8.156 0.000 . 1 . . . . . 221 LEU H . 27879 1 290 . 1 . 1 221 221 LEU CA C 13 59.349 0.000 . 1 . . . . . 221 LEU CA . 27879 1 291 . 1 . 1 221 221 LEU N N 15 118.302 0.087 . 1 . . . . . 221 LEU N . 27879 1 292 . 1 . 1 226 226 GLY H H 1 7.853 0.000 . 1 . . . . . 226 GLY H . 27879 1 293 . 1 . 1 226 226 GLY HA2 H 1 3.219 0.007 . 1 . . . . . 226 GLY HA2 . 27879 1 294 . 1 . 1 226 226 GLY C C 13 174.396 0.030 . 1 . . . . . 226 GLY C . 27879 1 295 . 1 . 1 226 226 GLY CA C 13 44.689 0.147 . 1 . . . . . 226 GLY CA . 27879 1 296 . 1 . 1 226 226 GLY N N 15 106.372 0.173 . 1 . . . . . 226 GLY N . 27879 1 297 . 1 . 1 227 227 VAL H H 1 8.137 0.000 . 1 . . . . . 227 VAL H . 27879 1 298 . 1 . 1 227 227 VAL HA H 1 4.772 0.008 . 1 . . . . . 227 VAL HA . 27879 1 299 . 1 . 1 227 227 VAL C C 13 173.399 0.032 . 1 . . . . . 227 VAL C . 27879 1 300 . 1 . 1 227 227 VAL CA C 13 61.131 0.100 . 1 . . . . . 227 VAL CA . 27879 1 301 . 1 . 1 227 227 VAL CB C 13 36.319 0.042 . 1 . . . . . 227 VAL CB . 27879 1 302 . 1 . 1 227 227 VAL CG1 C 13 23.476 0.009 . 1 . . . . . 227 VAL CG1 . 27879 1 303 . 1 . 1 227 227 VAL N N 15 124.379 0.132 . 1 . . . . . 227 VAL N . 27879 1 304 . 1 . 1 228 228 ALA H H 1 8.083 0.004 . 1 . . . . . 228 ALA H . 27879 1 305 . 1 . 1 228 228 ALA HA H 1 5.362 0.000 . 1 . . . . . 228 ALA HA . 27879 1 306 . 1 . 1 228 228 ALA C C 13 176.032 0.021 . 1 . . . . . 228 ALA C . 27879 1 307 . 1 . 1 228 228 ALA CA C 13 49.532 0.059 . 1 . . . . . 228 ALA CA . 27879 1 308 . 1 . 1 228 228 ALA CB C 13 22.165 0.010 . 1 . . . . . 228 ALA CB . 27879 1 309 . 1 . 1 228 228 ALA N N 15 127.383 0.107 . 1 . . . . . 228 ALA N . 27879 1 310 . 1 . 1 229 229 VAL H H 1 8.903 0.003 . 1 . . . . . 229 VAL H . 27879 1 311 . 1 . 1 229 229 VAL HA H 1 4.912 0.011 . 1 . . . . . 229 VAL HA . 27879 1 312 . 1 . 1 229 229 VAL C C 13 174.666 0.038 . 1 . . . . . 229 VAL C . 27879 1 313 . 1 . 1 229 229 VAL CA C 13 61.245 0.066 . 1 . . . . . 229 VAL CA . 27879 1 314 . 1 . 1 229 229 VAL CB C 13 35.170 0.015 . 1 . . . . . 229 VAL CB . 27879 1 315 . 1 . 1 229 229 VAL CG1 C 13 22.501 0.022 . 2 . . . . . 229 VAL CG1 . 27879 1 316 . 1 . 1 229 229 VAL CG2 C 13 20.695 0.001 . 2 . . . . . 229 VAL CG2 . 27879 1 317 . 1 . 1 229 229 VAL N N 15 121.518 0.068 . 1 . . . . . 229 VAL N . 27879 1 318 . 1 . 1 230 230 PHE H H 1 9.683 0.005 . 1 . . . . . 230 PHE H . 27879 1 319 . 1 . 1 230 230 PHE HA H 1 5.397 0.009 . 1 . . . . . 230 PHE HA . 27879 1 320 . 1 . 1 230 230 PHE C C 13 173.878 0.050 . 1 . . . . . 230 PHE C . 27879 1 321 . 1 . 1 230 230 PHE CA C 13 56.912 0.080 . 1 . . . . . 230 PHE CA . 27879 1 322 . 1 . 1 230 230 PHE CB C 13 39.599 0.051 . 1 . . . . . 230 PHE CB . 27879 1 323 . 1 . 1 230 230 PHE CZ C 13 129.375 0.000 . 1 . . . . . 230 PHE CZ . 27879 1 324 . 1 . 1 230 230 PHE N N 15 126.541 0.121 . 1 . . . . . 230 PHE N . 27879 1 325 . 1 . 1 231 231 SER CA C 13 57.951 0.037 . 1 . . . . . 231 SER CA . 27879 1 326 . 1 . 1 231 231 SER CB C 13 59.710 0.000 . 1 . . . . . 231 SER CB . 27879 1 327 . 1 . 1 231 231 SER N N 15 118.514 0.295 . 1 . . . . . 231 SER N . 27879 1 328 . 1 . 1 235 235 SER C C 13 174.542 0.039 . 1 . . . . . 235 SER C . 27879 1 329 . 1 . 1 235 235 SER CA C 13 57.308 0.072 . 1 . . . . . 235 SER CA . 27879 1 330 . 1 . 1 235 235 SER CB C 13 65.301 0.026 . 1 . . . . . 235 SER CB . 27879 1 331 . 1 . 1 235 235 SER N N 15 120.449 0.031 . 1 . . . . . 235 SER N . 27879 1 332 . 1 . 1 236 236 ALA H H 1 10.175 0.000 . 1 . . . . . 236 ALA H . 27879 1 333 . 1 . 1 236 236 ALA HA H 1 3.297 0.003 . 1 . . . . . 236 ALA HA . 27879 1 334 . 1 . 1 236 236 ALA C C 13 178.340 0.032 . 1 . . . . . 236 ALA C . 27879 1 335 . 1 . 1 236 236 ALA CA C 13 55.049 0.073 . 1 . . . . . 236 ALA CA . 27879 1 336 . 1 . 1 236 236 ALA CB C 13 18.259 0.012 . 1 . . . . . 236 ALA CB . 27879 1 337 . 1 . 1 236 236 ALA N N 15 123.709 0.200 . 1 . . . . . 236 ALA N . 27879 1 338 . 1 . 1 237 237 GLU H H 1 9.868 0.015 . 1 . . . . . 237 GLU H . 27879 1 339 . 1 . 1 237 237 GLU HA H 1 3.386 0.000 . 1 . . . . . 237 GLU HA . 27879 1 340 . 1 . 1 237 237 GLU C C 13 178.289 0.022 . 1 . . . . . 237 GLU C . 27879 1 341 . 1 . 1 237 237 GLU CA C 13 62.235 0.073 . 1 . . . . . 237 GLU CA . 27879 1 342 . 1 . 1 237 237 GLU CB C 13 28.723 0.066 . 1 . . . . . 237 GLU CB . 27879 1 343 . 1 . 1 237 237 GLU CG C 13 37.492 0.076 . 1 . . . . . 237 GLU CG . 27879 1 344 . 1 . 1 237 237 GLU CD C 13 184.003 0.000 . 1 . . . . . 237 GLU CD . 27879 1 345 . 1 . 1 237 237 GLU N N 15 116.985 0.117 . 1 . . . . . 237 GLU N . 27879 1 346 . 1 . 1 238 238 GLN CA C 13 59.612 0.067 . 1 . . . . . 238 GLN CA . 27879 1 347 . 1 . 1 238 238 GLN CB C 13 29.170 0.000 . 1 . . . . . 238 GLN CB . 27879 1 348 . 1 . 1 238 238 GLN CG C 13 35.362 0.000 . 1 . . . . . 238 GLN CG . 27879 1 349 . 1 . 1 238 238 GLN N N 15 117.148 0.157 . 1 . . . . . 238 GLN N . 27879 1 350 . 1 . 1 247 247 LEU C C 13 179.436 0.049 . 1 . . . . . 247 LEU C . 27879 1 351 . 1 . 1 247 247 LEU CA C 13 57.928 0.056 . 1 . . . . . 247 LEU CA . 27879 1 352 . 1 . 1 247 247 LEU CB C 13 43.056 0.042 . 1 . . . . . 247 LEU CB . 27879 1 353 . 1 . 1 247 247 LEU CD1 C 13 22.679 0.044 . 1 . . . . . 247 LEU CD1 . 27879 1 354 . 1 . 1 247 247 LEU N N 15 116.781 0.125 . 1 . . . . . 247 LEU N . 27879 1 355 . 1 . 1 248 248 THR H H 1 8.106 0.000 . 1 . . . . . 248 THR H . 27879 1 356 . 1 . 1 248 248 THR HA H 1 4.123 0.000 . 1 . . . . . 248 THR HA . 27879 1 357 . 1 . 1 248 248 THR C C 13 175.294 0.070 . 1 . . . . . 248 THR C . 27879 1 358 . 1 . 1 248 248 THR CA C 13 62.186 0.091 . 1 . . . . . 248 THR CA . 27879 1 359 . 1 . 1 248 248 THR CB C 13 70.679 0.040 . 1 . . . . . 248 THR CB . 27879 1 360 . 1 . 1 248 248 THR CG2 C 13 23.116 0.005 . 1 . . . . . 248 THR CG2 . 27879 1 361 . 1 . 1 248 248 THR N N 15 106.942 0.158 . 1 . . . . . 248 THR N . 27879 1 362 . 1 . 1 249 249 SER H H 1 7.599 0.000 . 1 . . . . . 249 SER H . 27879 1 363 . 1 . 1 249 249 SER C C 13 173.025 0.031 . 1 . . . . . 249 SER C . 27879 1 364 . 1 . 1 249 249 SER CA C 13 58.470 0.081 . 1 . . . . . 249 SER CA . 27879 1 365 . 1 . 1 249 249 SER CB C 13 60.894 0.014 . 1 . . . . . 249 SER CB . 27879 1 366 . 1 . 1 249 249 SER N N 15 114.923 0.174 . 1 . . . . . 249 SER N . 27879 1 367 . 1 . 1 250 250 ILE C C 13 175.853 0.073 . 1 . . . . . 250 ILE C . 27879 1 368 . 1 . 1 250 250 ILE CA C 13 60.246 0.098 . 1 . . . . . 250 ILE CA . 27879 1 369 . 1 . 1 250 250 ILE CB C 13 41.050 0.061 . 1 . . . . . 250 ILE CB . 27879 1 370 . 1 . 1 250 250 ILE CG1 C 13 27.237 0.057 . 1 . . . . . 250 ILE CG1 . 27879 1 371 . 1 . 1 250 250 ILE CG2 C 13 17.924 0.062 . 1 . . . . . 250 ILE CG2 . 27879 1 372 . 1 . 1 250 250 ILE CD1 C 13 13.719 0.000 . 1 . . . . . 250 ILE CD1 . 27879 1 373 . 1 . 1 250 250 ILE N N 15 121.598 0.144 . 1 . . . . . 250 ILE N . 27879 1 374 . 1 . 1 251 251 ASN CA C 13 53.923 0.032 . 1 . . . . . 251 ASN CA . 27879 1 375 . 1 . 1 251 251 ASN CB C 13 38.727 0.015 . 1 . . . . . 251 ASN CB . 27879 1 376 . 1 . 1 251 251 ASN N N 15 125.999 0.134 . 1 . . . . . 251 ASN N . 27879 1 377 . 1 . 1 257 257 SER C C 13 174.826 0.090 . 1 . . . . . 257 SER C . 27879 1 378 . 1 . 1 257 257 SER CA C 13 59.070 0.017 . 1 . . . . . 257 SER CA . 27879 1 379 . 1 . 1 257 257 SER CB C 13 64.764 0.028 . 1 . . . . . 257 SER CB . 27879 1 380 . 1 . 1 257 257 SER N N 15 108.510 0.149 . 1 . . . . . 257 SER N . 27879 1 381 . 1 . 1 258 258 GLY C C 13 174.415 0.007 . 1 . . . . . 258 GLY C . 27879 1 382 . 1 . 1 258 258 GLY CA C 13 46.708 0.029 . 1 . . . . . 258 GLY CA . 27879 1 383 . 1 . 1 258 258 GLY N N 15 109.655 0.138 . 1 . . . . . 258 GLY N . 27879 1 384 . 1 . 1 259 259 ARG C C 13 173.360 0.009 . 1 . . . . . 259 ARG C . 27879 1 385 . 1 . 1 259 259 ARG CA C 13 55.273 0.111 . 1 . . . . . 259 ARG CA . 27879 1 386 . 1 . 1 259 259 ARG CB C 13 28.497 0.126 . 1 . . . . . 259 ARG CB . 27879 1 387 . 1 . 1 259 259 ARG CG C 13 27.529 0.000 . 1 . . . . . 259 ARG CG . 27879 1 388 . 1 . 1 259 259 ARG N N 15 124.761 0.194 . 1 . . . . . 259 ARG N . 27879 1 389 . 1 . 1 260 260 LEU C C 13 176.814 0.019 . 1 . . . . . 260 LEU C . 27879 1 390 . 1 . 1 260 260 LEU CA C 13 53.006 0.036 . 1 . . . . . 260 LEU CA . 27879 1 391 . 1 . 1 260 260 LEU CB C 13 43.719 0.179 . 1 . . . . . 260 LEU CB . 27879 1 392 . 1 . 1 260 260 LEU CG C 13 27.997 0.116 . 1 . . . . . 260 LEU CG . 27879 1 393 . 1 . 1 260 260 LEU N N 15 122.180 0.127 . 1 . . . . . 260 LEU N . 27879 1 394 . 1 . 1 261 261 ASP H H 1 9.027 0.000 . 1 . . . . . 261 ASP H . 27879 1 395 . 1 . 1 261 261 ASP HA H 1 4.860 0.025 . 1 . . . . . 261 ASP HA . 27879 1 396 . 1 . 1 261 261 ASP C C 13 176.074 0.009 . 1 . . . . . 261 ASP C . 27879 1 397 . 1 . 1 261 261 ASP CA C 13 52.136 0.051 . 1 . . . . . 261 ASP CA . 27879 1 398 . 1 . 1 261 261 ASP CB C 13 40.670 0.040 . 1 . . . . . 261 ASP CB . 27879 1 399 . 1 . 1 261 261 ASP CG C 13 178.620 0.000 . 1 . . . . . 261 ASP CG . 27879 1 400 . 1 . 1 261 261 ASP N N 15 121.950 0.157 . 1 . . . . . 261 ASP N . 27879 1 401 . 1 . 1 262 262 ASP H H 1 8.349 0.000 . 1 . . . . . 262 ASP H . 27879 1 402 . 1 . 1 262 262 ASP CA C 13 58.364 0.113 . 1 . . . . . 262 ASP CA . 27879 1 403 . 1 . 1 262 262 ASP CB C 13 41.197 0.030 . 1 . . . . . 262 ASP CB . 27879 1 404 . 1 . 1 262 262 ASP N N 15 117.383 0.163 . 1 . . . . . 262 ASP N . 27879 1 405 . 1 . 1 263 263 ASP N N 15 120.886 0.000 . 1 . . . . . 263 ASP N . 27879 1 406 . 1 . 1 271 271 CYS CA C 13 63.935 0.000 . 1 . . . . . 271 CYS CA . 27879 1 407 . 1 . 1 271 271 CYS CB C 13 26.918 0.000 . 1 . . . . . 271 CYS CB . 27879 1 408 . 1 . 1 271 271 CYS N N 15 119.496 0.000 . 1 . . . . . 271 CYS N . 27879 1 409 . 1 . 1 275 275 LEU HA H 1 4.300 0.000 . 1 . . . . . 275 LEU HA . 27879 1 410 . 1 . 1 275 275 LEU C C 13 177.781 0.054 . 1 . . . . . 275 LEU C . 27879 1 411 . 1 . 1 275 275 LEU CB C 13 42.112 0.008 . 1 . . . . . 275 LEU CB . 27879 1 412 . 1 . 1 275 275 LEU CG C 13 26.661 0.000 . 1 . . . . . 275 LEU CG . 27879 1 413 . 1 . 1 276 276 SER H H 1 8.005 0.017 . 1 . . . . . 276 SER H . 27879 1 414 . 1 . 1 276 276 SER HA H 1 3.839 0.000 . 1 . . . . . 276 SER HA . 27879 1 415 . 1 . 1 276 276 SER C C 13 173.707 0.011 . 1 . . . . . 276 SER C . 27879 1 416 . 1 . 1 276 276 SER CA C 13 61.746 0.095 . 1 . . . . . 276 SER CA . 27879 1 417 . 1 . 1 276 276 SER CB C 13 63.032 0.066 . 1 . . . . . 276 SER CB . 27879 1 418 . 1 . 1 276 276 SER N N 15 111.088 0.226 . 1 . . . . . 276 SER N . 27879 1 419 . 1 . 1 277 277 GLN H H 1 6.905 0.036 . 1 . . . . . 277 GLN H . 27879 1 420 . 1 . 1 277 277 GLN C C 13 176.804 0.058 . 1 . . . . . 277 GLN C . 27879 1 421 . 1 . 1 277 277 GLN CA C 13 55.087 0.073 . 1 . . . . . 277 GLN CA . 27879 1 422 . 1 . 1 277 277 GLN CB C 13 29.519 0.038 . 1 . . . . . 277 GLN CB . 27879 1 423 . 1 . 1 277 277 GLN CD C 13 180.550 0.000 . 1 . . . . . 277 GLN CD . 27879 1 424 . 1 . 1 277 277 GLN N N 15 116.279 0.149 . 1 . . . . . 277 GLN N . 27879 1 425 . 1 . 1 278 278 LYS H H 1 8.200 0.000 . 1 . . . . . 278 LYS H . 27879 1 426 . 1 . 1 278 278 LYS HA H 1 4.360 0.021 . 1 . . . . . 278 LYS HA . 27879 1 427 . 1 . 1 278 278 LYS C C 13 176.087 0.060 . 1 . . . . . 278 LYS C . 27879 1 428 . 1 . 1 278 278 LYS CA C 13 53.074 0.098 . 1 . . . . . 278 LYS CA . 27879 1 429 . 1 . 1 278 278 LYS CB C 13 32.993 0.043 . 1 . . . . . 278 LYS CB . 27879 1 430 . 1 . 1 278 278 LYS CG C 13 27.400 0.000 . 1 . . . . . 278 LYS CG . 27879 1 431 . 1 . 1 278 278 LYS CD C 13 23.412 0.000 . 1 . . . . . 278 LYS CD . 27879 1 432 . 1 . 1 278 278 LYS N N 15 117.700 0.129 . 1 . . . . . 278 LYS N . 27879 1 433 . 1 . 1 279 279 LYS H H 1 8.922 0.019 . 1 . . . . . 279 LYS H . 27879 1 434 . 1 . 1 279 279 LYS HA H 1 4.052 0.032 . 1 . . . . . 279 LYS HA . 27879 1 435 . 1 . 1 279 279 LYS C C 13 172.037 0.016 . 1 . . . . . 279 LYS C . 27879 1 436 . 1 . 1 279 279 LYS CA C 13 53.978 0.106 . 1 . . . . . 279 LYS CA . 27879 1 437 . 1 . 1 279 279 LYS CB C 13 30.210 0.032 . 1 . . . . . 279 LYS CB . 27879 1 438 . 1 . 1 279 279 LYS CG C 13 24.356 0.000 . 1 . . . . . 279 LYS CG . 27879 1 439 . 1 . 1 279 279 LYS CE C 13 41.333 0.000 . 1 . . . . . 279 LYS CE . 27879 1 440 . 1 . 1 279 279 LYS N N 15 122.923 0.291 . 1 . . . . . 279 LYS N . 27879 1 441 . 1 . 1 280 280 LEU H H 1 6.447 0.000 . 1 . . . . . 280 LEU H . 27879 1 442 . 1 . 1 280 280 LEU HA H 1 4.754 0.000 . 1 . . . . . 280 LEU HA . 27879 1 443 . 1 . 1 280 280 LEU C C 13 172.997 0.074 . 1 . . . . . 280 LEU C . 27879 1 444 . 1 . 1 280 280 LEU CA C 13 52.422 0.086 . 1 . . . . . 280 LEU CA . 27879 1 445 . 1 . 1 280 280 LEU CB C 13 43.515 0.069 . 1 . . . . . 280 LEU CB . 27879 1 446 . 1 . 1 280 280 LEU CG C 13 26.734 0.030 . 1 . . . . . 280 LEU CG . 27879 1 447 . 1 . 1 280 280 LEU CD1 C 13 25.193 0.000 . 2 . . . . . 280 LEU CD1 . 27879 1 448 . 1 . 1 280 280 LEU CD2 C 13 22.856 0.187 . 2 . . . . . 280 LEU CD2 . 27879 1 449 . 1 . 1 280 280 LEU N N 15 122.514 0.150 . 1 . . . . . 280 LEU N . 27879 1 450 . 1 . 1 281 281 PHE C C 13 174.215 0.025 . 1 . . . . . 281 PHE C . 27879 1 451 . 1 . 1 281 281 PHE CA C 13 55.861 0.117 . 1 . . . . . 281 PHE CA . 27879 1 452 . 1 . 1 281 281 PHE CB C 13 41.982 0.119 . 1 . . . . . 281 PHE CB . 27879 1 453 . 1 . 1 281 281 PHE N N 15 125.185 0.225 . 1 . . . . . 281 PHE N . 27879 1 454 . 1 . 1 282 282 PHE H H 1 8.658 0.000 . 1 . . . . . 282 PHE H . 27879 1 455 . 1 . 1 282 282 PHE C C 13 176.108 0.097 . 1 . . . . . 282 PHE C . 27879 1 456 . 1 . 1 282 282 PHE CA C 13 57.141 0.173 . 1 . . . . . 282 PHE CA . 27879 1 457 . 1 . 1 282 282 PHE CB C 13 38.131 0.122 . 1 . . . . . 282 PHE CB . 27879 1 458 . 1 . 1 282 282 PHE CD1 C 13 131.855 0.000 . 1 . . . . . 282 PHE CD1 . 27879 1 459 . 1 . 1 282 282 PHE CD2 C 13 131.855 0.000 . 1 . . . . . 282 PHE CD2 . 27879 1 460 . 1 . 1 282 282 PHE N N 15 119.056 0.186 . 1 . . . . . 282 PHE N . 27879 1 461 . 1 . 1 283 283 TYR CA C 13 55.723 0.116 . 1 . . . . . 283 TYR CA . 27879 1 462 . 1 . 1 283 283 TYR CG C 13 130.228 0.000 . 1 . . . . . 283 TYR CG . 27879 1 463 . 1 . 1 283 283 TYR N N 15 118.647 0.124 . 1 . . . . . 283 TYR N . 27879 1 464 . 1 . 1 285 285 LYS H H 1 7.872 0.000 . 1 . . . . . 285 LYS H . 27879 1 465 . 1 . 1 285 285 LYS HA H 1 3.975 0.000 . 1 . . . . . 285 LYS HA . 27879 1 466 . 1 . 1 285 285 LYS C C 13 177.437 0.025 . 1 . . . . . 285 LYS C . 27879 1 467 . 1 . 1 285 285 LYS CA C 13 57.544 0.125 . 1 . . . . . 285 LYS CA . 27879 1 468 . 1 . 1 285 285 LYS CB C 13 32.443 0.032 . 1 . . . . . 285 LYS CB . 27879 1 469 . 1 . 1 285 285 LYS CD C 13 25.325 0.042 . 1 . . . . . 285 LYS CD . 27879 1 470 . 1 . 1 285 285 LYS N N 15 118.256 0.238 . 1 . . . . . 285 LYS N . 27879 1 471 . 1 . 1 286 286 SER H H 1 7.569 0.005 . 1 . . . . . 286 SER H . 27879 1 472 . 1 . 1 286 286 SER HA H 1 4.194 0.002 . 1 . . . . . 286 SER HA . 27879 1 473 . 1 . 1 286 286 SER C C 13 175.669 0.071 . 1 . . . . . 286 SER C . 27879 1 474 . 1 . 1 286 286 SER CA C 13 61.034 0.084 . 1 . . . . . 286 SER CA . 27879 1 475 . 1 . 1 286 286 SER CB C 13 63.055 0.063 . 1 . . . . . 286 SER CB . 27879 1 476 . 1 . 1 286 286 SER N N 15 111.702 0.196 . 1 . . . . . 286 SER N . 27879 1 477 . 1 . 1 287 287 TYR H H 1 7.428 0.027 . 1 . . . . . 287 TYR H . 27879 1 478 . 1 . 1 287 287 TYR HA H 1 5.639 0.004 . 1 . . . . . 287 TYR HA . 27879 1 479 . 1 . 1 287 287 TYR CA C 13 56.964 0.090 . 1 . . . . . 287 TYR CA . 27879 1 480 . 1 . 1 287 287 TYR CB C 13 30.425 0.068 . 1 . . . . . 287 TYR CB . 27879 1 481 . 1 . 1 287 287 TYR CD1 C 13 131.742 0.000 . 1 . . . . . 287 TYR CD1 . 27879 1 482 . 1 . 1 287 287 TYR CD2 C 13 131.742 0.000 . 1 . . . . . 287 TYR CD2 . 27879 1 483 . 1 . 1 287 287 TYR N N 15 118.384 0.163 . 1 . . . . . 287 TYR N . 27879 1 484 . 1 . 1 288 288 VAL N N 15 127.301 0.000 . 1 . . . . . 288 VAL N . 27879 1 485 . 1 . 1 307 307 LEU H H 1 9.690 0.000 . 1 . . . . . 307 LEU H . 27879 1 486 . 1 . 1 307 307 LEU HA H 1 3.840 0.000 . 1 . . . . . 307 LEU HA . 27879 1 487 . 1 . 1 307 307 LEU C C 13 176.057 0.041 . 1 . . . . . 307 LEU C . 27879 1 488 . 1 . 1 307 307 LEU CA C 13 57.173 0.111 . 1 . . . . . 307 LEU CA . 27879 1 489 . 1 . 1 307 307 LEU CB C 13 41.336 0.000 . 1 . . . . . 307 LEU CB . 27879 1 490 . 1 . 1 307 307 LEU N N 15 119.068 0.111 . 1 . . . . . 307 LEU N . 27879 1 491 . 1 . 1 308 308 GLY H H 1 9.629 0.048 . 1 . . . . . 308 GLY H . 27879 1 492 . 1 . 1 308 308 GLY HA2 H 1 4.862 0.006 . 2 . . . . . 308 GLY HA2 . 27879 1 493 . 1 . 1 308 308 GLY HA3 H 1 3.672 0.017 . 2 . . . . . 308 GLY HA3 . 27879 1 494 . 1 . 1 308 308 GLY C C 13 171.886 0.027 . 1 . . . . . 308 GLY C . 27879 1 495 . 1 . 1 308 308 GLY CA C 13 44.892 0.089 . 1 . . . . . 308 GLY CA . 27879 1 496 . 1 . 1 308 308 GLY N N 15 114.513 0.130 . 1 . . . . . 308 GLY N . 27879 1 497 . 1 . 1 309 309 ILE H H 1 7.432 0.001 . 1 . . . . . 309 ILE H . 27879 1 498 . 1 . 1 309 309 ILE HA H 1 4.712 0.004 . 1 . . . . . 309 ILE HA . 27879 1 499 . 1 . 1 309 309 ILE C C 13 170.626 0.024 . 1 . . . . . 309 ILE C . 27879 1 500 . 1 . 1 309 309 ILE CA C 13 60.966 0.108 . 1 . . . . . 309 ILE CA . 27879 1 501 . 1 . 1 309 309 ILE CB C 13 37.906 0.014 . 1 . . . . . 309 ILE CB . 27879 1 502 . 1 . 1 309 309 ILE CG1 C 13 27.529 0.025 . 1 . . . . . 309 ILE CG1 . 27879 1 503 . 1 . 1 309 309 ILE CG2 C 13 16.726 0.028 . 1 . . . . . 309 ILE CG2 . 27879 1 504 . 1 . 1 309 309 ILE CD1 C 13 15.742 0.014 . 1 . . . . . 309 ILE CD1 . 27879 1 505 . 1 . 1 309 309 ILE N N 15 114.686 0.075 . 1 . . . . . 309 ILE N . 27879 1 506 . 1 . 1 310 310 ALA H H 1 7.462 0.045 . 1 . . . . . 310 ALA H . 27879 1 507 . 1 . 1 310 310 ALA HA H 1 6.003 0.006 . 1 . . . . . 310 ALA HA . 27879 1 508 . 1 . 1 310 310 ALA C C 13 173.795 0.066 . 1 . . . . . 310 ALA C . 27879 1 509 . 1 . 1 310 310 ALA CA C 13 49.485 0.064 . 1 . . . . . 310 ALA CA . 27879 1 510 . 1 . 1 310 310 ALA CB C 13 23.313 0.033 . 1 . . . . . 310 ALA CB . 27879 1 511 . 1 . 1 310 310 ALA N N 15 125.131 0.121 . 1 . . . . . 310 ALA N . 27879 1 512 . 1 . 1 311 311 PHE H H 1 8.952 0.015 . 1 . . . . . 311 PHE H . 27879 1 513 . 1 . 1 311 311 PHE HA H 1 5.934 0.002 . 1 . . . . . 311 PHE HA . 27879 1 514 . 1 . 1 311 311 PHE C C 13 176.324 0.040 . 1 . . . . . 311 PHE C . 27879 1 515 . 1 . 1 311 311 PHE CA C 13 55.835 0.136 . 1 . . . . . 311 PHE CA . 27879 1 516 . 1 . 1 311 311 PHE CB C 13 44.420 0.049 . 1 . . . . . 311 PHE CB . 27879 1 517 . 1 . 1 311 311 PHE CD1 C 13 131.921 0.000 . 1 . . . . . 311 PHE CD1 . 27879 1 518 . 1 . 1 311 311 PHE CD2 C 13 131.921 0.000 . 1 . . . . . 311 PHE CD2 . 27879 1 519 . 1 . 1 311 311 PHE N N 15 118.111 0.067 . 1 . . . . . 311 PHE N . 27879 1 520 . 1 . 1 312 312 ILE H H 1 9.322 0.006 . 1 . . . . . 312 ILE H . 27879 1 521 . 1 . 1 312 312 ILE HA H 1 5.023 0.000 . 1 . . . . . 312 ILE HA . 27879 1 522 . 1 . 1 312 312 ILE C C 13 179.252 0.000 . 1 . . . . . 312 ILE C . 27879 1 523 . 1 . 1 312 312 ILE CA C 13 61.019 0.122 . 1 . . . . . 312 ILE CA . 27879 1 524 . 1 . 1 312 312 ILE CB C 13 42.469 0.020 . 1 . . . . . 312 ILE CB . 27879 1 525 . 1 . 1 312 312 ILE CG1 C 13 27.844 0.034 . 1 . . . . . 312 ILE CG1 . 27879 1 526 . 1 . 1 312 312 ILE CG2 C 13 16.164 0.001 . 1 . . . . . 312 ILE CG2 . 27879 1 527 . 1 . 1 312 312 ILE N N 15 120.075 0.135 . 1 . . . . . 312 ILE N . 27879 1 528 . 1 . 1 313 313 ASP H H 1 9.242 0.001 . 1 . . . . . 313 ASP H . 27879 1 529 . 1 . 1 313 313 ASP HA H 1 5.458 0.000 . 1 . . . . . 313 ASP HA . 27879 1 530 . 1 . 1 313 313 ASP C C 13 174.533 0.051 . 1 . . . . . 313 ASP C . 27879 1 531 . 1 . 1 313 313 ASP CA C 13 48.373 0.075 . 1 . . . . . 313 ASP CA . 27879 1 532 . 1 . 1 313 313 ASP CB C 13 42.474 0.053 . 1 . . . . . 313 ASP CB . 27879 1 533 . 1 . 1 313 313 ASP CG C 13 180.284 0.053 . 1 . . . . . 313 ASP CG . 27879 1 534 . 1 . 1 313 313 ASP N N 15 126.787 0.070 . 1 . . . . . 313 ASP N . 27879 1 535 . 1 . 1 314 314 TYR H H 1 5.962 0.007 . 1 . . . . . 314 TYR H . 27879 1 536 . 1 . 1 314 314 TYR HA H 1 5.062 0.029 . 1 . . . . . 314 TYR HA . 27879 1 537 . 1 . 1 314 314 TYR C C 13 175.347 0.028 . 1 . . . . . 314 TYR C . 27879 1 538 . 1 . 1 314 314 TYR CA C 13 57.678 0.094 . 1 . . . . . 314 TYR CA . 27879 1 539 . 1 . 1 314 314 TYR CB C 13 39.751 0.020 . 1 . . . . . 314 TYR CB . 27879 1 540 . 1 . 1 314 314 TYR CG C 13 128.966 0.245 . 1 . . . . . 314 TYR CG . 27879 1 541 . 1 . 1 314 314 TYR N N 15 112.466 0.110 . 1 . . . . . 314 TYR N . 27879 1 542 . 1 . 1 315 315 LEU H H 1 9.409 0.001 . 1 . . . . . 315 LEU H . 27879 1 543 . 1 . 1 315 315 LEU HA H 1 3.771 0.015 . 1 . . . . . 315 LEU HA . 27879 1 544 . 1 . 1 315 315 LEU C C 13 178.572 0.134 . 1 . . . . . 315 LEU C . 27879 1 545 . 1 . 1 315 315 LEU CA C 13 61.753 0.071 . 1 . . . . . 315 LEU CA . 27879 1 546 . 1 . 1 315 315 LEU CB C 13 44.933 0.026 . 1 . . . . . 315 LEU CB . 27879 1 547 . 1 . 1 315 315 LEU CG C 13 28.810 0.024 . 1 . . . . . 315 LEU CG . 27879 1 548 . 1 . 1 315 315 LEU CD1 C 13 26.826 0.000 . 2 . . . . . 315 LEU CD1 . 27879 1 549 . 1 . 1 315 315 LEU CD2 C 13 25.943 0.000 . 2 . . . . . 315 LEU CD2 . 27879 1 550 . 1 . 1 315 315 LEU N N 15 120.303 0.172 . 1 . . . . . 315 LEU N . 27879 1 551 . 1 . 1 316 316 GLN H H 1 8.042 0.000 . 1 . . . . . 316 GLN H . 27879 1 552 . 1 . 1 316 316 GLN C C 13 174.983 0.061 . 1 . . . . . 316 GLN C . 27879 1 553 . 1 . 1 316 316 GLN CA C 13 58.932 0.062 . 1 . . . . . 316 GLN CA . 27879 1 554 . 1 . 1 316 316 GLN CB C 13 26.378 0.041 . 1 . . . . . 316 GLN CB . 27879 1 555 . 1 . 1 316 316 GLN CG C 13 33.412 0.027 . 1 . . . . . 316 GLN CG . 27879 1 556 . 1 . 1 316 316 GLN CD C 13 181.781 0.009 . 1 . . . . . 316 GLN CD . 27879 1 557 . 1 . 1 316 316 GLN N N 15 109.439 0.103 . 1 . . . . . 316 GLN N . 27879 1 558 . 1 . 1 317 317 LEU N N 15 116.160 0.080 . 1 . . . . . 317 LEU N . 27879 1 559 . 1 . 1 330 330 GLN C C 13 177.390 0.004 . 1 . . . . . 330 GLN C . 27879 1 560 . 1 . 1 331 331 ILE C C 13 177.499 0.078 . 1 . . . . . 331 ILE C . 27879 1 561 . 1 . 1 331 331 ILE CA C 13 57.293 0.051 . 1 . . . . . 331 ILE CA . 27879 1 562 . 1 . 1 331 331 ILE CB C 13 41.877 0.081 . 1 . . . . . 331 ILE CB . 27879 1 563 . 1 . 1 331 331 ILE CG1 C 13 26.656 0.013 . 1 . . . . . 331 ILE CG1 . 27879 1 564 . 1 . 1 331 331 ILE CD1 C 13 16.943 0.000 . 1 . . . . . 331 ILE CD1 . 27879 1 565 . 1 . 1 331 331 ILE N N 15 125.813 0.099 . 1 . . . . . 331 ILE N . 27879 1 566 . 1 . 1 332 332 ALA H H 1 8.220 0.000 . 1 . . . . . 332 ALA H . 27879 1 567 . 1 . 1 332 332 ALA HA H 1 3.940 0.005 . 1 . . . . . 332 ALA HA . 27879 1 568 . 1 . 1 332 332 ALA C C 13 181.008 0.016 . 1 . . . . . 332 ALA C . 27879 1 569 . 1 . 1 332 332 ALA CA C 13 55.905 0.067 . 1 . . . . . 332 ALA CA . 27879 1 570 . 1 . 1 332 332 ALA CB C 13 16.983 0.031 . 1 . . . . . 332 ALA CB . 27879 1 571 . 1 . 1 332 332 ALA N N 15 123.814 0.171 . 1 . . . . . 332 ALA N . 27879 1 572 . 1 . 1 333 333 GLU H H 1 7.643 0.018 . 1 . . . . . 333 GLU H . 27879 1 573 . 1 . 1 333 333 GLU C C 13 179.013 0.000 . 1 . . . . . 333 GLU C . 27879 1 574 . 1 . 1 333 333 GLU CA C 13 59.141 0.093 . 1 . . . . . 333 GLU CA . 27879 1 575 . 1 . 1 333 333 GLU CB C 13 30.121 0.022 . 1 . . . . . 333 GLU CB . 27879 1 576 . 1 . 1 333 333 GLU CD C 13 181.099 0.032 . 1 . . . . . 333 GLU CD . 27879 1 577 . 1 . 1 333 333 GLU N N 15 115.573 0.098 . 1 . . . . . 333 GLU N . 27879 1 578 . 1 . 1 334 334 ILE H H 1 7.604 0.000 . 1 . . . . . 334 ILE H . 27879 1 579 . 1 . 1 334 334 ILE HA H 1 3.470 0.000 . 1 . . . . . 334 ILE HA . 27879 1 580 . 1 . 1 334 334 ILE C C 13 176.788 0.032 . 1 . . . . . 334 ILE C . 27879 1 581 . 1 . 1 334 334 ILE CA C 13 66.135 0.066 . 1 . . . . . 334 ILE CA . 27879 1 582 . 1 . 1 334 334 ILE CB C 13 38.646 0.001 . 1 . . . . . 334 ILE CB . 27879 1 583 . 1 . 1 334 334 ILE CG2 C 13 18.892 0.017 . 1 . . . . . 334 ILE CG2 . 27879 1 584 . 1 . 1 334 334 ILE CD1 C 13 14.144 0.008 . 1 . . . . . 334 ILE CD1 . 27879 1 585 . 1 . 1 334 334 ILE N N 15 119.479 0.142 . 1 . . . . . 334 ILE N . 27879 1 586 . 1 . 1 335 335 SER H H 1 8.332 0.004 . 1 . . . . . 335 SER H . 27879 1 587 . 1 . 1 335 335 SER HA H 1 3.759 0.002 . 1 . . . . . 335 SER HA . 27879 1 588 . 1 . 1 335 335 SER C C 13 175.769 0.023 . 1 . . . . . 335 SER C . 27879 1 589 . 1 . 1 335 335 SER CA C 13 62.839 0.068 . 1 . . . . . 335 SER CA . 27879 1 590 . 1 . 1 335 335 SER N N 15 112.149 0.176 . 1 . . . . . 335 SER N . 27879 1 591 . 1 . 1 336 336 ARG CA C 13 58.375 0.037 . 1 . . . . . 336 ARG CA . 27879 1 592 . 1 . 1 336 336 ARG CB C 13 27.723 0.017 . 1 . . . . . 336 ARG CB . 27879 1 593 . 1 . 1 336 336 ARG N N 15 118.736 0.259 . 1 . . . . . 336 ARG N . 27879 1 594 . 1 . 1 343 343 ARG CA C 13 56.029 0.000 . 1 . . . . . 343 ARG CA . 27879 1 595 . 1 . 1 344 344 GLU H H 1 7.643 0.018 . 1 . . . . . 344 GLU H . 27879 1 596 . 1 . 1 344 344 GLU HA H 1 3.989 0.003 . 1 . . . . . 344 GLU HA . 27879 1 597 . 1 . 1 344 344 GLU C C 13 178.798 0.044 . 1 . . . . . 344 GLU C . 27879 1 598 . 1 . 1 344 344 GLU CA C 13 59.282 0.102 . 1 . . . . . 344 GLU CA . 27879 1 599 . 1 . 1 344 344 GLU CB C 13 30.229 0.068 . 1 . . . . . 344 GLU CB . 27879 1 600 . 1 . 1 344 344 GLU N N 15 115.679 0.037 . 1 . . . . . 344 GLU N . 27879 1 601 . 1 . 1 345 345 LEU H H 1 8.599 0.011 . 1 . . . . . 345 LEU H . 27879 1 602 . 1 . 1 345 345 LEU HA H 1 4.221 0.011 . 1 . . . . . 345 LEU HA . 27879 1 603 . 1 . 1 345 345 LEU C C 13 175.532 0.072 . 1 . . . . . 345 LEU C . 27879 1 604 . 1 . 1 345 345 LEU CA C 13 54.659 0.074 . 1 . . . . . 345 LEU CA . 27879 1 605 . 1 . 1 345 345 LEU CB C 13 43.109 0.035 . 1 . . . . . 345 LEU CB . 27879 1 606 . 1 . 1 345 345 LEU CG C 13 28.047 0.000 . 1 . . . . . 345 LEU CG . 27879 1 607 . 1 . 1 345 345 LEU CD1 C 13 26.644 0.023 . 2 . . . . . 345 LEU CD1 . 27879 1 608 . 1 . 1 345 345 LEU CD2 C 13 22.426 0.025 . 2 . . . . . 345 LEU CD2 . 27879 1 609 . 1 . 1 345 345 LEU N N 15 115.256 0.109 . 1 . . . . . 345 LEU N . 27879 1 610 . 1 . 1 346 346 GLU H H 1 7.827 0.002 . 1 . . . . . 346 GLU H . 27879 1 611 . 1 . 1 346 346 GLU HA H 1 3.760 0.005 . 1 . . . . . 346 GLU HA . 27879 1 612 . 1 . 1 346 346 GLU C C 13 174.738 0.020 . 1 . . . . . 346 GLU C . 27879 1 613 . 1 . 1 346 346 GLU CA C 13 56.493 0.082 . 1 . . . . . 346 GLU CA . 27879 1 614 . 1 . 1 346 346 GLU CB C 13 26.928 0.016 . 1 . . . . . 346 GLU CB . 27879 1 615 . 1 . 1 346 346 GLU CD C 13 184.795 0.000 . 1 . . . . . 346 GLU CD . 27879 1 616 . 1 . 1 346 346 GLU N N 15 115.525 0.112 . 1 . . . . . 346 GLU N . 27879 1 617 . 1 . 1 347 347 ILE H H 1 8.042 0.001 . 1 . . . . . 347 ILE H . 27879 1 618 . 1 . 1 347 347 ILE C C 13 173.102 0.025 . 1 . . . . . 347 ILE C . 27879 1 619 . 1 . 1 347 347 ILE CA C 13 58.749 0.081 . 1 . . . . . 347 ILE CA . 27879 1 620 . 1 . 1 347 347 ILE CB C 13 40.953 0.012 . 1 . . . . . 347 ILE CB . 27879 1 621 . 1 . 1 347 347 ILE CG1 C 13 23.655 0.000 . 1 . . . . . 347 ILE CG1 . 27879 1 622 . 1 . 1 347 347 ILE CG2 C 13 17.770 0.005 . 1 . . . . . 347 ILE CG2 . 27879 1 623 . 1 . 1 347 347 ILE CD1 C 13 13.307 0.000 . 1 . . . . . 347 ILE CD1 . 27879 1 624 . 1 . 1 347 347 ILE N N 15 109.105 0.158 . 1 . . . . . 347 ILE N . 27879 1 625 . 1 . 1 348 348 PRO HA H 1 5.258 0.000 . 1 . . . . . 348 PRO HA . 27879 1 626 . 1 . 1 348 348 PRO C C 13 176.050 0.023 . 1 . . . . . 348 PRO C . 27879 1 627 . 1 . 1 348 348 PRO CA C 13 61.720 0.077 . 1 . . . . . 348 PRO CA . 27879 1 628 . 1 . 1 348 348 PRO CB C 13 30.967 0.007 . 1 . . . . . 348 PRO CB . 27879 1 629 . 1 . 1 348 348 PRO CG C 13 26.711 0.000 . 1 . . . . . 348 PRO CG . 27879 1 630 . 1 . 1 348 348 PRO CD C 13 49.407 0.110 . 1 . . . . . 348 PRO CD . 27879 1 631 . 1 . 1 348 348 PRO N N 15 134.217 0.102 . 1 . . . . . 348 PRO N . 27879 1 632 . 1 . 1 349 349 ILE H H 1 8.318 0.001 . 1 . . . . . 349 ILE H . 27879 1 633 . 1 . 1 349 349 ILE HA H 1 4.427 0.003 . 1 . . . . . 349 ILE HA . 27879 1 634 . 1 . 1 349 349 ILE C C 13 172.650 0.026 . 1 . . . . . 349 ILE C . 27879 1 635 . 1 . 1 349 349 ILE CA C 13 60.313 0.055 . 1 . . . . . 349 ILE CA . 27879 1 636 . 1 . 1 349 349 ILE CB C 13 39.777 0.033 . 1 . . . . . 349 ILE CB . 27879 1 637 . 1 . 1 349 349 ILE CG1 C 13 27.864 0.000 . 1 . . . . . 349 ILE CG1 . 27879 1 638 . 1 . 1 349 349 ILE CG2 C 13 16.244 0.000 . 1 . . . . . 349 ILE CG2 . 27879 1 639 . 1 . 1 349 349 ILE CD1 C 13 12.272 0.002 . 1 . . . . . 349 ILE CD1 . 27879 1 640 . 1 . 1 349 349 ILE N N 15 119.584 0.100 . 1 . . . . . 349 ILE N . 27879 1 641 . 1 . 1 350 350 ILE H H 1 8.728 0.004 . 1 . . . . . 350 ILE H . 27879 1 642 . 1 . 1 350 350 ILE HA H 1 4.908 0.014 . 1 . . . . . 350 ILE HA . 27879 1 643 . 1 . 1 350 350 ILE C C 13 174.666 0.010 . 1 . . . . . 350 ILE C . 27879 1 644 . 1 . 1 350 350 ILE CA C 13 57.602 0.104 . 1 . . . . . 350 ILE CA . 27879 1 645 . 1 . 1 350 350 ILE CB C 13 35.789 0.031 . 1 . . . . . 350 ILE CB . 27879 1 646 . 1 . 1 350 350 ILE CG1 C 13 28.734 0.031 . 1 . . . . . 350 ILE CG1 . 27879 1 647 . 1 . 1 350 350 ILE CG2 C 13 19.552 0.014 . 1 . . . . . 350 ILE CG2 . 27879 1 648 . 1 . 1 350 350 ILE CD1 C 13 12.347 0.000 . 1 . . . . . 350 ILE CD1 . 27879 1 649 . 1 . 1 350 350 ILE N N 15 129.230 0.083 . 1 . . . . . 350 ILE N . 27879 1 650 . 1 . 1 351 351 ALA H H 1 9.642 0.002 . 1 . . . . . 351 ALA H . 27879 1 651 . 1 . 1 351 351 ALA HA H 1 5.272 0.014 . 1 . . . . . 351 ALA HA . 27879 1 652 . 1 . 1 351 351 ALA C C 13 175.035 0.042 . 1 . . . . . 351 ALA C . 27879 1 653 . 1 . 1 351 351 ALA CA C 13 49.582 0.053 . 1 . . . . . 351 ALA CA . 27879 1 654 . 1 . 1 351 351 ALA CB C 13 20.653 0.016 . 1 . . . . . 351 ALA CB . 27879 1 655 . 1 . 1 351 351 ALA N N 15 128.359 0.090 . 1 . . . . . 351 ALA N . 27879 1 656 . 1 . 1 352 352 LEU H H 1 8.820 0.029 . 1 . . . . . 352 LEU H . 27879 1 657 . 1 . 1 352 352 LEU HA H 1 5.486 0.004 . 1 . . . . . 352 LEU HA . 27879 1 658 . 1 . 1 352 352 LEU C C 13 177.243 0.024 . 1 . . . . . 352 LEU C . 27879 1 659 . 1 . 1 352 352 LEU CA C 13 54.528 0.069 . 1 . . . . . 352 LEU CA . 27879 1 660 . 1 . 1 352 352 LEU CB C 13 42.684 0.017 . 1 . . . . . 352 LEU CB . 27879 1 661 . 1 . 1 352 352 LEU CG C 13 26.311 0.000 . 1 . . . . . 352 LEU CG . 27879 1 662 . 1 . 1 352 352 LEU CD1 C 13 20.665 0.039 . 2 . . . . . 352 LEU CD1 . 27879 1 663 . 1 . 1 352 352 LEU CD2 C 13 23.741 0.000 . 2 . . . . . 352 LEU CD2 . 27879 1 664 . 1 . 1 352 352 LEU N N 15 126.353 0.123 . 1 . . . . . 352 LEU N . 27879 1 665 . 1 . 1 353 353 VAL H H 1 9.486 0.002 . 1 . . . . . 353 VAL H . 27879 1 666 . 1 . 1 353 353 VAL HA H 1 5.391 0.001 . 1 . . . . . 353 VAL HA . 27879 1 667 . 1 . 1 353 353 VAL C C 13 175.046 0.076 . 1 . . . . . 353 VAL C . 27879 1 668 . 1 . 1 353 353 VAL CA C 13 58.699 0.085 . 1 . . . . . 353 VAL CA . 27879 1 669 . 1 . 1 353 353 VAL CB C 13 36.441 0.025 . 1 . . . . . 353 VAL CB . 27879 1 670 . 1 . 1 353 353 VAL CG1 C 13 23.914 0.005 . 2 . . . . . 353 VAL CG1 . 27879 1 671 . 1 . 1 353 353 VAL CG2 C 13 20.628 0.017 . 2 . . . . . 353 VAL CG2 . 27879 1 672 . 1 . 1 353 353 VAL N N 15 111.950 0.083 . 1 . . . . . 353 VAL N . 27879 1 673 . 1 . 1 354 354 GLN H H 1 8.461 0.000 . 1 . . . . . 354 GLN H . 27879 1 674 . 1 . 1 354 354 GLN C C 13 176.819 0.023 . 1 . . . . . 354 GLN C . 27879 1 675 . 1 . 1 354 354 GLN CA C 13 54.234 0.089 . 1 . . . . . 354 GLN CA . 27879 1 676 . 1 . 1 354 354 GLN CB C 13 27.757 0.093 . 1 . . . . . 354 GLN CB . 27879 1 677 . 1 . 1 354 354 GLN CG C 13 31.345 0.000 . 1 . . . . . 354 GLN CG . 27879 1 678 . 1 . 1 354 354 GLN N N 15 117.022 0.161 . 1 . . . . . 354 GLN N . 27879 1 679 . 1 . 1 355 355 LEU C C 13 177.470 0.030 . 1 . . . . . 355 LEU C . 27879 1 680 . 1 . 1 355 355 LEU CA C 13 52.984 0.102 . 1 . . . . . 355 LEU CA . 27879 1 681 . 1 . 1 355 355 LEU CB C 13 42.495 0.000 . 1 . . . . . 355 LEU CB . 27879 1 682 . 1 . 1 355 355 LEU CG C 13 27.596 0.037 . 1 . . . . . 355 LEU CG . 27879 1 683 . 1 . 1 355 355 LEU N N 15 119.655 0.232 . 1 . . . . . 355 LEU N . 27879 1 684 . 1 . 1 356 356 ASN C C 13 176.740 0.162 . 1 . . . . . 356 ASN C . 27879 1 685 . 1 . 1 356 356 ASN CA C 13 51.913 0.091 . 1 . . . . . 356 ASN CA . 27879 1 686 . 1 . 1 356 356 ASN CB C 13 37.834 0.024 . 1 . . . . . 356 ASN CB . 27879 1 687 . 1 . 1 356 356 ASN N N 15 117.487 0.118 . 1 . . . . . 356 ASN N . 27879 1 688 . 1 . 1 357 357 ARG C C 13 177.696 0.027 . 1 . . . . . 357 ARG C . 27879 1 689 . 1 . 1 357 357 ARG CA C 13 57.457 0.153 . 1 . . . . . 357 ARG CA . 27879 1 690 . 1 . 1 357 357 ARG CB C 13 30.945 0.074 . 1 . . . . . 357 ARG CB . 27879 1 691 . 1 . 1 357 357 ARG CG C 13 27.432 0.000 . 1 . . . . . 357 ARG CG . 27879 1 692 . 1 . 1 357 357 ARG CD C 13 44.667 0.083 . 1 . . . . . 357 ARG CD . 27879 1 693 . 1 . 1 357 357 ARG CZ C 13 161.245 0.022 . 1 . . . . . 357 ARG CZ . 27879 1 694 . 1 . 1 357 357 ARG N N 15 116.127 0.223 . 1 . . . . . 357 ARG N . 27879 1 695 . 1 . 1 357 357 ARG NE N 15 81.921 0.226 . 1 . . . . . 357 ARG NE . 27879 1 696 . 1 . 1 357 357 ARG NH1 N 15 69.232 0.096 . 1 . . . . . 357 ARG NH1 . 27879 1 697 . 1 . 1 357 357 ARG NH2 N 15 78.626 0.030 . 1 . . . . . 357 ARG NH2 . 27879 1 698 . 1 . 1 358 358 SER H H 1 8.666 0.000 . 1 . . . . . 358 SER H . 27879 1 699 . 1 . 1 358 358 SER HA H 1 3.980 0.020 . 1 . . . . . 358 SER HA . 27879 1 700 . 1 . 1 358 358 SER C C 13 178.203 0.049 . 1 . . . . . 358 SER C . 27879 1 701 . 1 . 1 358 358 SER CA C 13 63.208 0.079 . 1 . . . . . 358 SER CA . 27879 1 702 . 1 . 1 358 358 SER CB C 13 62.395 0.041 . 1 . . . . . 358 SER CB . 27879 1 703 . 1 . 1 358 358 SER N N 15 119.710 0.226 . 1 . . . . . 358 SER N . 27879 1 704 . 1 . 1 359 359 LEU H H 1 8.772 0.000 . 1 . . . . . 359 LEU H . 27879 1 705 . 1 . 1 359 359 LEU CA C 13 57.722 0.135 . 1 . . . . . 359 LEU CA . 27879 1 706 . 1 . 1 359 359 LEU CB C 13 42.002 0.040 . 1 . . . . . 359 LEU CB . 27879 1 707 . 1 . 1 359 359 LEU CG C 13 26.135 0.000 . 1 . . . . . 359 LEU CG . 27879 1 708 . 1 . 1 359 359 LEU CD1 C 13 22.804 0.000 . 2 . . . . . 359 LEU CD1 . 27879 1 709 . 1 . 1 359 359 LEU CD2 C 13 23.941 0.000 . 2 . . . . . 359 LEU CD2 . 27879 1 710 . 1 . 1 359 359 LEU N N 15 122.149 0.237 . 1 . . . . . 359 LEU N . 27879 1 711 . 1 . 1 366 366 ARG C C 13 174.726 0.000 . 1 . . . . . 366 ARG C . 27879 1 712 . 1 . 1 366 366 ARG CA C 13 54.494 0.000 . 1 . . . . . 366 ARG CA . 27879 1 713 . 1 . 1 367 367 PRO C C 13 174.364 0.038 . 1 . . . . . 367 PRO C . 27879 1 714 . 1 . 1 367 367 PRO CA C 13 61.698 0.048 . 1 . . . . . 367 PRO CA . 27879 1 715 . 1 . 1 367 367 PRO N N 15 135.519 0.209 . 1 . . . . . 367 PRO N . 27879 1 716 . 1 . 1 368 368 ILE C C 13 177.294 0.036 . 1 . . . . . 368 ILE C . 27879 1 717 . 1 . 1 368 368 ILE CA C 13 59.404 0.063 . 1 . . . . . 368 ILE CA . 27879 1 718 . 1 . 1 368 368 ILE CB C 13 41.473 0.095 . 1 . . . . . 368 ILE CB . 27879 1 719 . 1 . 1 368 368 ILE CG1 C 13 25.403 0.015 . 1 . . . . . 368 ILE CG1 . 27879 1 720 . 1 . 1 368 368 ILE CG2 C 13 17.366 0.000 . 1 . . . . . 368 ILE CG2 . 27879 1 721 . 1 . 1 368 368 ILE CD1 C 13 14.083 0.000 . 1 . . . . . 368 ILE CD1 . 27879 1 722 . 1 . 1 368 368 ILE N N 15 115.064 0.131 . 1 . . . . . 368 ILE N . 27879 1 723 . 1 . 1 369 369 LEU C C 13 176.179 0.057 . 1 . . . . . 369 LEU C . 27879 1 724 . 1 . 1 369 369 LEU CA C 13 59.295 0.035 . 1 . . . . . 369 LEU CA . 27879 1 725 . 1 . 1 369 369 LEU CB C 13 41.102 0.023 . 1 . . . . . 369 LEU CB . 27879 1 726 . 1 . 1 369 369 LEU CG C 13 26.739 0.025 . 1 . . . . . 369 LEU CG . 27879 1 727 . 1 . 1 369 369 LEU CD1 C 13 25.297 0.010 . 1 . . . . . 369 LEU CD1 . 27879 1 728 . 1 . 1 369 369 LEU N N 15 119.019 0.200 . 1 . . . . . 369 LEU N . 27879 1 729 . 1 . 1 370 370 SER H H 1 7.418 0.000 . 1 . . . . . 370 SER H . 27879 1 730 . 1 . 1 370 370 SER HA H 1 3.946 0.000 . 1 . . . . . 370 SER HA . 27879 1 731 . 1 . 1 370 370 SER C C 13 173.765 0.015 . 1 . . . . . 370 SER C . 27879 1 732 . 1 . 1 370 370 SER CA C 13 58.486 0.141 . 1 . . . . . 370 SER CA . 27879 1 733 . 1 . 1 370 370 SER CB C 13 62.415 0.017 . 1 . . . . . 370 SER CB . 27879 1 734 . 1 . 1 370 370 SER N N 15 103.308 0.175 . 1 . . . . . 370 SER N . 27879 1 735 . 1 . 1 371 371 ASP H H 1 8.060 0.006 . 1 . . . . . 371 ASP H . 27879 1 736 . 1 . 1 371 371 ASP HA H 1 4.599 0.007 . 1 . . . . . 371 ASP HA . 27879 1 737 . 1 . 1 371 371 ASP C C 13 176.328 0.046 . 1 . . . . . 371 ASP C . 27879 1 738 . 1 . 1 371 371 ASP CA C 13 54.848 0.077 . 1 . . . . . 371 ASP CA . 27879 1 739 . 1 . 1 371 371 ASP CB C 13 42.192 0.067 . 1 . . . . . 371 ASP CB . 27879 1 740 . 1 . 1 371 371 ASP CG C 13 179.473 0.000 . 1 . . . . . 371 ASP CG . 27879 1 741 . 1 . 1 371 371 ASP N N 15 120.309 0.114 . 1 . . . . . 371 ASP N . 27879 1 742 . 1 . 1 372 372 ILE H H 1 7.317 0.012 . 1 . . . . . 372 ILE H . 27879 1 743 . 1 . 1 372 372 ILE HA H 1 3.649 0.017 . 1 . . . . . 372 ILE HA . 27879 1 744 . 1 . 1 372 372 ILE C C 13 176.126 0.067 . 1 . . . . . 372 ILE C . 27879 1 745 . 1 . 1 372 372 ILE CA C 13 64.708 0.159 . 1 . . . . . 372 ILE CA . 27879 1 746 . 1 . 1 372 372 ILE CB C 13 37.713 0.238 . 1 . . . . . 372 ILE CB . 27879 1 747 . 1 . 1 372 372 ILE CG1 C 13 29.612 0.052 . 1 . . . . . 372 ILE CG1 . 27879 1 748 . 1 . 1 372 372 ILE CG2 C 13 19.085 0.004 . 1 . . . . . 372 ILE CG2 . 27879 1 749 . 1 . 1 372 372 ILE CD1 C 13 13.646 0.024 . 1 . . . . . 372 ILE CD1 . 27879 1 750 . 1 . 1 372 372 ILE N N 15 120.232 0.187 . 1 . . . . . 372 ILE N . 27879 1 751 . 1 . 1 373 373 LYS H H 1 8.541 0.027 . 1 . . . . . 373 LYS H . 27879 1 752 . 1 . 1 373 373 LYS HA H 1 4.283 0.000 . 1 . . . . . 373 LYS HA . 27879 1 753 . 1 . 1 373 373 LYS HZ1 H 1 7.639 0.000 . 1 . . . . . 373 LYS HZ1 . 27879 1 754 . 1 . 1 373 373 LYS HZ2 H 1 7.639 0.000 . 1 . . . . . 373 LYS HZ2 . 27879 1 755 . 1 . 1 373 373 LYS HZ3 H 1 7.639 0.000 . 1 . . . . . 373 LYS HZ3 . 27879 1 756 . 1 . 1 373 373 LYS C C 13 178.311 0.093 . 1 . . . . . 373 LYS C . 27879 1 757 . 1 . 1 373 373 LYS CA C 13 58.318 0.104 . 1 . . . . . 373 LYS CA . 27879 1 758 . 1 . 1 373 373 LYS CB C 13 33.375 0.079 . 1 . . . . . 373 LYS CB . 27879 1 759 . 1 . 1 373 373 LYS CG C 13 27.349 0.034 . 1 . . . . . 373 LYS CG . 27879 1 760 . 1 . 1 373 373 LYS CD C 13 29.564 0.000 . 1 . . . . . 373 LYS CD . 27879 1 761 . 1 . 1 373 373 LYS CE C 13 42.665 0.165 . 1 . . . . . 373 LYS CE . 27879 1 762 . 1 . 1 373 373 LYS N N 15 129.494 0.156 . 1 . . . . . 373 LYS N . 27879 1 763 . 1 . 1 373 373 LYS NZ N 15 30.524 0.141 . 1 . . . . . 373 LYS NZ . 27879 1 764 . 1 . 1 374 374 ASP H H 1 10.120 0.014 . 1 . . . . . 374 ASP H . 27879 1 765 . 1 . 1 374 374 ASP HA H 1 4.475 0.000 . 1 . . . . . 374 ASP HA . 27879 1 766 . 1 . 1 374 374 ASP C C 13 178.056 0.257 . 1 . . . . . 374 ASP C . 27879 1 767 . 1 . 1 374 374 ASP CA C 13 59.610 0.132 . 1 . . . . . 374 ASP CA . 27879 1 768 . 1 . 1 374 374 ASP CB C 13 41.313 0.014 . 1 . . . . . 374 ASP CB . 27879 1 769 . 1 . 1 374 374 ASP CG C 13 182.963 0.000 . 1 . . . . . 374 ASP CG . 27879 1 770 . 1 . 1 374 374 ASP N N 15 119.718 0.198 . 1 . . . . . 374 ASP N . 27879 1 771 . 1 . 1 375 375 SER H H 1 7.245 0.022 . 1 . . . . . 375 SER H . 27879 1 772 . 1 . 1 375 375 SER HA H 1 4.747 0.015 . 1 . . . . . 375 SER HA . 27879 1 773 . 1 . 1 375 375 SER C C 13 174.027 0.027 . 1 . . . . . 375 SER C . 27879 1 774 . 1 . 1 375 375 SER CA C 13 59.151 0.066 . 1 . . . . . 375 SER CA . 27879 1 775 . 1 . 1 375 375 SER CB C 13 65.648 0.022 . 1 . . . . . 375 SER CB . 27879 1 776 . 1 . 1 375 375 SER N N 15 109.213 0.194 . 1 . . . . . 375 SER N . 27879 1 777 . 1 . 1 376 376 GLY H H 1 9.283 0.011 . 1 . . . . . 376 GLY H . 27879 1 778 . 1 . 1 376 376 GLY HA2 H 1 3.516 0.000 . 2 . . . . . 376 GLY HA2 . 27879 1 779 . 1 . 1 376 376 GLY HA3 H 1 5.436 0.048 . 2 . . . . . 376 GLY HA3 . 27879 1 780 . 1 . 1 376 376 GLY C C 13 175.349 0.092 . 1 . . . . . 376 GLY C . 27879 1 781 . 1 . 1 376 376 GLY CA C 13 44.278 0.097 . 1 . . . . . 376 GLY CA . 27879 1 782 . 1 . 1 376 376 GLY N N 15 116.045 0.239 . 1 . . . . . 376 GLY N . 27879 1 783 . 1 . 1 377 377 GLY H H 1 8.875 0.044 . 1 . . . . . 377 GLY H . 27879 1 784 . 1 . 1 377 377 GLY HA2 H 1 4.019 0.021 . 2 . . . . . 377 GLY HA2 . 27879 1 785 . 1 . 1 377 377 GLY HA3 H 1 3.577 0.013 . 2 . . . . . 377 GLY HA3 . 27879 1 786 . 1 . 1 377 377 GLY C C 13 174.636 0.020 . 1 . . . . . 377 GLY C . 27879 1 787 . 1 . 1 377 377 GLY CA C 13 46.982 0.079 . 1 . . . . . 377 GLY CA . 27879 1 788 . 1 . 1 377 377 GLY N N 15 106.981 0.163 . 1 . . . . . 377 GLY N . 27879 1 789 . 1 . 1 378 378 ILE H H 1 6.660 0.022 . 1 . . . . . 378 ILE H . 27879 1 790 . 1 . 1 378 378 ILE HA H 1 4.113 0.000 . 1 . . . . . 378 ILE HA . 27879 1 791 . 1 . 1 378 378 ILE C C 13 177.656 0.086 . 1 . . . . . 378 ILE C . 27879 1 792 . 1 . 1 378 378 ILE CA C 13 64.859 0.059 . 1 . . . . . 378 ILE CA . 27879 1 793 . 1 . 1 378 378 ILE CB C 13 37.242 0.016 . 1 . . . . . 378 ILE CB . 27879 1 794 . 1 . 1 378 378 ILE CG1 C 13 29.521 0.091 . 1 . . . . . 378 ILE CG1 . 27879 1 795 . 1 . 1 378 378 ILE CG2 C 13 19.644 0.008 . 1 . . . . . 378 ILE CG2 . 27879 1 796 . 1 . 1 378 378 ILE CD1 C 13 14.218 0.026 . 1 . . . . . 378 ILE CD1 . 27879 1 797 . 1 . 1 378 378 ILE N N 15 116.385 0.093 . 1 . . . . . 378 ILE N . 27879 1 798 . 1 . 1 379 379 GLU H H 1 8.564 0.000 . 1 . . . . . 379 GLU H . 27879 1 799 . 1 . 1 379 379 GLU C C 13 177.309 0.000 . 1 . . . . . 379 GLU C . 27879 1 800 . 1 . 1 379 379 GLU CA C 13 59.226 0.080 . 1 . . . . . 379 GLU CA . 27879 1 801 . 1 . 1 379 379 GLU CB C 13 27.858 0.066 . 1 . . . . . 379 GLU CB . 27879 1 802 . 1 . 1 379 379 GLU CG C 13 35.698 0.000 . 1 . . . . . 379 GLU CG . 27879 1 803 . 1 . 1 379 379 GLU CD C 13 182.827 0.000 . 1 . . . . . 379 GLU CD . 27879 1 804 . 1 . 1 379 379 GLU N N 15 114.030 0.097 . 1 . . . . . 379 GLU N . 27879 1 805 . 1 . 1 380 380 GLN CA C 13 58.821 0.004 . 1 . . . . . 380 GLN CA . 27879 1 806 . 1 . 1 380 380 GLN CB C 13 26.856 0.091 . 1 . . . . . 380 GLN CB . 27879 1 807 . 1 . 1 380 380 GLN N N 15 120.695 0.046 . 1 . . . . . 380 GLN N . 27879 1 808 . 1 . 1 381 381 ASP H H 1 8.460 0.000 . 1 . . . . . 381 ASP H . 27879 1 809 . 1 . 1 381 381 ASP C C 13 177.367 0.115 . 1 . . . . . 381 ASP C . 27879 1 810 . 1 . 1 381 381 ASP CA C 13 56.254 0.030 . 1 . . . . . 381 ASP CA . 27879 1 811 . 1 . 1 381 381 ASP CB C 13 42.102 0.042 . 1 . . . . . 381 ASP CB . 27879 1 812 . 1 . 1 381 381 ASP N N 15 118.932 0.055 . 1 . . . . . 381 ASP N . 27879 1 813 . 1 . 1 382 382 ALA H H 1 7.472 0.000 . 1 . . . . . 382 ALA H . 27879 1 814 . 1 . 1 382 382 ALA HA H 1 3.698 0.007 . 1 . . . . . 382 ALA HA . 27879 1 815 . 1 . 1 382 382 ALA C C 13 177.529 0.025 . 1 . . . . . 382 ALA C . 27879 1 816 . 1 . 1 382 382 ALA CA C 13 53.243 0.073 . 1 . . . . . 382 ALA CA . 27879 1 817 . 1 . 1 382 382 ALA CB C 13 20.806 0.035 . 1 . . . . . 382 ALA CB . 27879 1 818 . 1 . 1 382 382 ALA N N 15 116.901 0.165 . 1 . . . . . 382 ALA N . 27879 1 819 . 1 . 1 383 383 ASP H H 1 9.470 0.023 . 1 . . . . . 383 ASP H . 27879 1 820 . 1 . 1 383 383 ASP HA H 1 4.539 0.006 . 1 . . . . . 383 ASP HA . 27879 1 821 . 1 . 1 383 383 ASP C C 13 175.467 0.076 . 1 . . . . . 383 ASP C . 27879 1 822 . 1 . 1 383 383 ASP CA C 13 57.099 0.117 . 1 . . . . . 383 ASP CA . 27879 1 823 . 1 . 1 383 383 ASP CB C 13 43.206 0.027 . 1 . . . . . 383 ASP CB . 27879 1 824 . 1 . 1 383 383 ASP N N 15 121.329 0.257 . 1 . . . . . 383 ASP N . 27879 1 825 . 1 . 1 384 384 ILE H H 1 7.330 0.001 . 1 . . . . . 384 ILE H . 27879 1 826 . 1 . 1 384 384 ILE HA H 1 4.671 0.014 . 1 . . . . . 384 ILE HA . 27879 1 827 . 1 . 1 384 384 ILE C C 13 174.927 0.041 . 1 . . . . . 384 ILE C . 27879 1 828 . 1 . 1 384 384 ILE CA C 13 58.467 0.139 . 1 . . . . . 384 ILE CA . 27879 1 829 . 1 . 1 384 384 ILE CB C 13 43.540 0.033 . 1 . . . . . 384 ILE CB . 27879 1 830 . 1 . 1 384 384 ILE CG2 C 13 17.313 0.030 . 1 . . . . . 384 ILE CG2 . 27879 1 831 . 1 . 1 384 384 ILE CD1 C 13 14.200 0.021 . 1 . . . . . 384 ILE CD1 . 27879 1 832 . 1 . 1 384 384 ILE N N 15 115.163 0.176 . 1 . . . . . 384 ILE N . 27879 1 833 . 1 . 1 385 385 VAL H H 1 8.607 0.005 . 1 . . . . . 385 VAL H . 27879 1 834 . 1 . 1 385 385 VAL HA H 1 4.625 0.014 . 1 . . . . . 385 VAL HA . 27879 1 835 . 1 . 1 385 385 VAL C C 13 173.354 0.069 . 1 . . . . . 385 VAL C . 27879 1 836 . 1 . 1 385 385 VAL CA C 13 60.907 0.088 . 1 . . . . . 385 VAL CA . 27879 1 837 . 1 . 1 385 385 VAL CB C 13 33.108 0.032 . 1 . . . . . 385 VAL CB . 27879 1 838 . 1 . 1 385 385 VAL CG1 C 13 21.266 0.007 . 1 . . . . . 385 VAL CG1 . 27879 1 839 . 1 . 1 385 385 VAL N N 15 125.739 0.166 . 1 . . . . . 385 VAL N . 27879 1 840 . 1 . 1 386 386 LEU H H 1 9.255 0.001 . 1 . . . . . 386 LEU H . 27879 1 841 . 1 . 1 386 386 LEU HA H 1 5.431 0.000 . 1 . . . . . 386 LEU HA . 27879 1 842 . 1 . 1 386 386 LEU C C 13 175.416 0.016 . 1 . . . . . 386 LEU C . 27879 1 843 . 1 . 1 386 386 LEU CA C 13 51.258 0.128 . 1 . . . . . 386 LEU CA . 27879 1 844 . 1 . 1 386 386 LEU CB C 13 43.037 0.043 . 1 . . . . . 386 LEU CB . 27879 1 845 . 1 . 1 386 386 LEU CG C 13 26.973 0.003 . 1 . . . . . 386 LEU CG . 27879 1 846 . 1 . 1 386 386 LEU CD1 C 13 21.338 0.000 . 1 . . . . . 386 LEU CD1 . 27879 1 847 . 1 . 1 386 386 LEU N N 15 126.377 0.198 . 1 . . . . . 386 LEU N . 27879 1 848 . 1 . 1 387 387 PHE H H 1 9.415 0.014 . 1 . . . . . 387 PHE H . 27879 1 849 . 1 . 1 387 387 PHE HA H 1 6.455 0.012 . 1 . . . . . 387 PHE HA . 27879 1 850 . 1 . 1 387 387 PHE C C 13 175.384 0.054 . 1 . . . . . 387 PHE C . 27879 1 851 . 1 . 1 387 387 PHE CA C 13 53.016 0.104 . 1 . . . . . 387 PHE CA . 27879 1 852 . 1 . 1 387 387 PHE CB C 13 42.867 0.022 . 1 . . . . . 387 PHE CB . 27879 1 853 . 1 . 1 387 387 PHE CG C 13 138.652 0.000 . 1 . . . . . 387 PHE CG . 27879 1 854 . 1 . 1 387 387 PHE CE1 C 13 130.038 0.000 . 1 . . . . . 387 PHE CE1 . 27879 1 855 . 1 . 1 387 387 PHE CE2 C 13 130.038 0.000 . 1 . . . . . 387 PHE CE2 . 27879 1 856 . 1 . 1 387 387 PHE N N 15 119.069 0.238 . 1 . . . . . 387 PHE N . 27879 1 857 . 1 . 1 388 388 LEU H H 1 7.962 0.028 . 1 . . . . . 388 LEU H . 27879 1 858 . 1 . 1 388 388 LEU HA H 1 5.125 0.004 . 1 . . . . . 388 LEU HA . 27879 1 859 . 1 . 1 388 388 LEU C C 13 175.135 0.023 . 1 . . . . . 388 LEU C . 27879 1 860 . 1 . 1 388 388 LEU CA C 13 53.241 0.141 . 1 . . . . . 388 LEU CA . 27879 1 861 . 1 . 1 388 388 LEU CB C 13 42.499 0.050 . 1 . . . . . 388 LEU CB . 27879 1 862 . 1 . 1 388 388 LEU CG C 13 26.963 0.000 . 1 . . . . . 388 LEU CG . 27879 1 863 . 1 . 1 388 388 LEU CD1 C 13 24.602 0.000 . 1 . . . . . 388 LEU CD1 . 27879 1 864 . 1 . 1 388 388 LEU N N 15 118.918 0.209 . 1 . . . . . 388 LEU N . 27879 1 865 . 1 . 1 389 389 TYR H H 1 8.686 0.000 . 1 . . . . . 389 TYR H . 27879 1 866 . 1 . 1 389 389 TYR HA H 1 4.804 0.000 . 1 . . . . . 389 TYR HA . 27879 1 867 . 1 . 1 389 389 TYR C C 13 173.363 0.093 . 1 . . . . . 389 TYR C . 27879 1 868 . 1 . 1 389 389 TYR CA C 13 57.324 0.072 . 1 . . . . . 389 TYR CA . 27879 1 869 . 1 . 1 389 389 TYR CB C 13 42.008 0.103 . 1 . . . . . 389 TYR CB . 27879 1 870 . 1 . 1 389 389 TYR N N 15 121.708 0.192 . 1 . . . . . 389 TYR N . 27879 1 871 . 1 . 1 390 390 ARG H H 1 7.045 0.000 . 1 . . . . . 390 ARG H . 27879 1 872 . 1 . 1 390 390 ARG HA H 1 4.737 0.038 . 1 . . . . . 390 ARG HA . 27879 1 873 . 1 . 1 390 390 ARG C C 13 176.154 0.066 . 1 . . . . . 390 ARG C . 27879 1 874 . 1 . 1 390 390 ARG CA C 13 54.673 0.094 . 1 . . . . . 390 ARG CA . 27879 1 875 . 1 . 1 390 390 ARG CB C 13 31.045 0.036 . 1 . . . . . 390 ARG CB . 27879 1 876 . 1 . 1 390 390 ARG CG C 13 25.400 0.000 . 1 . . . . . 390 ARG CG . 27879 1 877 . 1 . 1 390 390 ARG CD C 13 44.606 0.000 . 1 . . . . . 390 ARG CD . 27879 1 878 . 1 . 1 390 390 ARG N N 15 128.723 0.187 . 1 . . . . . 390 ARG N . 27879 1 879 . 1 . 1 391 391 GLY HA2 H 1 3.889 0.000 . 2 . . . . . 391 GLY HA2 . 27879 1 880 . 1 . 1 391 391 GLY HA3 H 1 3.444 0.000 . 2 . . . . . 391 GLY HA3 . 27879 1 881 . 1 . 1 391 391 GLY C C 13 176.437 0.034 . 1 . . . . . 391 GLY C . 27879 1 882 . 1 . 1 391 391 GLY CA C 13 47.754 0.071 . 1 . . . . . 391 GLY CA . 27879 1 883 . 1 . 1 391 391 GLY N N 15 109.448 0.324 . 1 . . . . . 391 GLY N . 27879 1 884 . 1 . 1 392 392 TYR H H 1 9.761 0.000 . 1 . . . . . 392 TYR H . 27879 1 885 . 1 . 1 392 392 TYR HA H 1 4.258 0.002 . 1 . . . . . 392 TYR HA . 27879 1 886 . 1 . 1 392 392 TYR C C 13 177.539 0.034 . 1 . . . . . 392 TYR C . 27879 1 887 . 1 . 1 392 392 TYR CA C 13 61.017 0.122 . 1 . . . . . 392 TYR CA . 27879 1 888 . 1 . 1 392 392 TYR CB C 13 39.297 0.034 . 1 . . . . . 392 TYR CB . 27879 1 889 . 1 . 1 392 392 TYR CG C 13 128.715 0.000 . 1 . . . . . 392 TYR CG . 27879 1 890 . 1 . 1 392 392 TYR N N 15 123.625 0.230 . 1 . . . . . 392 TYR N . 27879 1 891 . 1 . 1 393 393 ILE H H 1 7.032 0.019 . 1 . . . . . 393 ILE H . 27879 1 892 . 1 . 1 393 393 ILE HA H 1 3.390 0.000 . 1 . . . . . 393 ILE HA . 27879 1 893 . 1 . 1 393 393 ILE C C 13 179.003 0.073 . 1 . . . . . 393 ILE C . 27879 1 894 . 1 . 1 393 393 ILE CA C 13 63.081 0.041 . 1 . . . . . 393 ILE CA . 27879 1 895 . 1 . 1 393 393 ILE CB C 13 36.851 0.046 . 1 . . . . . 393 ILE CB . 27879 1 896 . 1 . 1 393 393 ILE CG1 C 13 28.214 0.000 . 1 . . . . . 393 ILE CG1 . 27879 1 897 . 1 . 1 393 393 ILE CG2 C 13 16.149 0.037 . 1 . . . . . 393 ILE CG2 . 27879 1 898 . 1 . 1 393 393 ILE N N 15 115.253 0.147 . 1 . . . . . 393 ILE N . 27879 1 899 . 1 . 1 394 394 TYR N N 15 119.032 0.078 . 1 . . . . . 394 TYR N . 27879 1 900 . 1 . 1 402 402 LYS CA C 13 57.764 0.093 . 1 . . . . . 402 LYS CA . 27879 1 901 . 1 . 1 403 403 ILE H H 1 6.825 0.006 . 1 . . . . . 403 ILE H . 27879 1 902 . 1 . 1 403 403 ILE HA H 1 4.240 0.000 . 1 . . . . . 403 ILE HA . 27879 1 903 . 1 . 1 403 403 ILE C C 13 180.344 0.042 . 1 . . . . . 403 ILE C . 27879 1 904 . 1 . 1 403 403 ILE CA C 13 57.141 0.074 . 1 . . . . . 403 ILE CA . 27879 1 905 . 1 . 1 403 403 ILE CB C 13 41.931 0.024 . 1 . . . . . 403 ILE CB . 27879 1 906 . 1 . 1 403 403 ILE CG1 C 13 27.122 0.052 . 1 . . . . . 403 ILE CG1 . 27879 1 907 . 1 . 1 403 403 ILE CG2 C 13 24.235 0.008 . 1 . . . . . 403 ILE CG2 . 27879 1 908 . 1 . 1 403 403 ILE N N 15 118.509 0.051 . 1 . . . . . 403 ILE N . 27879 1 909 . 1 . 1 404 404 ASP H H 1 8.810 0.007 . 1 . . . . . 404 ASP H . 27879 1 910 . 1 . 1 404 404 ASP HA H 1 4.107 0.002 . 1 . . . . . 404 ASP HA . 27879 1 911 . 1 . 1 404 404 ASP C C 13 178.735 0.037 . 1 . . . . . 404 ASP C . 27879 1 912 . 1 . 1 404 404 ASP CA C 13 58.000 0.095 . 1 . . . . . 404 ASP CA . 27879 1 913 . 1 . 1 404 404 ASP CB C 13 38.936 0.033 . 1 . . . . . 404 ASP CB . 27879 1 914 . 1 . 1 404 404 ASP CG C 13 177.448 0.000 . 1 . . . . . 404 ASP CG . 27879 1 915 . 1 . 1 404 404 ASP N N 15 126.340 0.065 . 1 . . . . . 404 ASP N . 27879 1 916 . 1 . 1 405 405 LYS C C 13 177.696 0.013 . 1 . . . . . 405 LYS C . 27879 1 917 . 1 . 1 405 405 LYS CA C 13 55.931 0.101 . 1 . . . . . 405 LYS CA . 27879 1 918 . 1 . 1 405 405 LYS CB C 13 38.392 0.027 . 1 . . . . . 405 LYS CB . 27879 1 919 . 1 . 1 405 405 LYS N N 15 119.378 0.067 . 1 . . . . . 405 LYS N . 27879 1 920 . 1 . 1 406 406 LEU H H 1 8.937 0.000 . 1 . . . . . 406 LEU H . 27879 1 921 . 1 . 1 406 406 LEU C C 13 175.529 0.000 . 1 . . . . . 406 LEU C . 27879 1 922 . 1 . 1 406 406 LEU CA C 13 58.523 0.029 . 1 . . . . . 406 LEU CA . 27879 1 923 . 1 . 1 406 406 LEU CB C 13 41.467 0.000 . 1 . . . . . 406 LEU CB . 27879 1 924 . 1 . 1 406 406 LEU CD1 C 13 17.997 0.000 . 1 . . . . . 406 LEU CD1 . 27879 1 925 . 1 . 1 406 406 LEU N N 15 121.392 0.065 . 1 . . . . . 406 LEU N . 27879 1 926 . 1 . 1 407 407 LYS C C 13 177.338 0.068 . 1 . . . . . 407 LYS C . 27879 1 927 . 1 . 1 407 407 LYS CA C 13 55.986 0.107 . 1 . . . . . 407 LYS CA . 27879 1 928 . 1 . 1 408 408 LYS C C 13 178.849 0.156 . 1 . . . . . 408 LYS C . 27879 1 929 . 1 . 1 408 408 LYS CA C 13 59.462 0.096 . 1 . . . . . 408 LYS CA . 27879 1 930 . 1 . 1 408 408 LYS CB C 13 31.999 0.092 . 1 . . . . . 408 LYS CB . 27879 1 931 . 1 . 1 408 408 LYS CE C 13 43.135 0.000 . 1 . . . . . 408 LYS CE . 27879 1 932 . 1 . 1 408 408 LYS N N 15 123.189 0.350 . 1 . . . . . 408 LYS N . 27879 1 933 . 1 . 1 409 409 GLU C C 13 176.586 0.046 . 1 . . . . . 409 GLU C . 27879 1 934 . 1 . 1 409 409 GLU CA C 13 56.299 0.054 . 1 . . . . . 409 GLU CA . 27879 1 935 . 1 . 1 409 409 GLU CB C 13 30.062 0.043 . 1 . . . . . 409 GLU CB . 27879 1 936 . 1 . 1 409 409 GLU CG C 13 36.059 0.000 . 1 . . . . . 409 GLU CG . 27879 1 937 . 1 . 1 409 409 GLU CD C 13 182.993 0.000 . 1 . . . . . 409 GLU CD . 27879 1 938 . 1 . 1 409 409 GLU N N 15 116.491 0.194 . 1 . . . . . 409 GLU N . 27879 1 939 . 1 . 1 410 410 GLY C C 13 175.115 0.029 . 1 . . . . . 410 GLY C . 27879 1 940 . 1 . 1 410 410 GLY CA C 13 45.278 0.051 . 1 . . . . . 410 GLY CA . 27879 1 941 . 1 . 1 410 410 GLY N N 15 107.744 0.099 . 1 . . . . . 410 GLY N . 27879 1 942 . 1 . 1 411 411 LYS H H 1 9.015 0.000 . 1 . . . . . 411 LYS H . 27879 1 943 . 1 . 1 411 411 LYS C C 13 176.459 0.031 . 1 . . . . . 411 LYS C . 27879 1 944 . 1 . 1 411 411 LYS CA C 13 54.540 0.098 . 1 . . . . . 411 LYS CA . 27879 1 945 . 1 . 1 411 411 LYS CB C 13 30.301 0.059 . 1 . . . . . 411 LYS CB . 27879 1 946 . 1 . 1 411 411 LYS CG C 13 24.880 0.000 . 1 . . . . . 411 LYS CG . 27879 1 947 . 1 . 1 411 411 LYS CD C 13 23.605 0.000 . 1 . . . . . 411 LYS CD . 27879 1 948 . 1 . 1 411 411 LYS N N 15 126.108 0.116 . 1 . . . . . 411 LYS N . 27879 1 949 . 1 . 1 412 412 ILE H H 1 7.429 0.000 . 1 . . . . . 412 ILE H . 27879 1 950 . 1 . 1 412 412 ILE HA H 1 3.575 0.002 . 1 . . . . . 412 ILE HA . 27879 1 951 . 1 . 1 412 412 ILE C C 13 178.633 0.022 . 1 . . . . . 412 ILE C . 27879 1 952 . 1 . 1 412 412 ILE CA C 13 63.973 0.046 . 1 . . . . . 412 ILE CA . 27879 1 953 . 1 . 1 412 412 ILE CB C 13 37.270 0.022 . 1 . . . . . 412 ILE CB . 27879 1 954 . 1 . 1 412 412 ILE CG1 C 13 27.891 0.000 . 1 . . . . . 412 ILE CG1 . 27879 1 955 . 1 . 1 412 412 ILE CG2 C 13 17.774 0.000 . 1 . . . . . 412 ILE CG2 . 27879 1 956 . 1 . 1 412 412 ILE CD1 C 13 11.946 0.000 . 1 . . . . . 412 ILE CD1 . 27879 1 957 . 1 . 1 412 412 ILE N N 15 118.809 0.124 . 1 . . . . . 412 ILE N . 27879 1 958 . 1 . 1 413 413 GLU CA C 13 58.844 0.066 . 1 . . . . . 413 GLU CA . 27879 1 959 . 1 . 1 413 413 GLU CB C 13 29.695 0.000 . 1 . . . . . 413 GLU CB . 27879 1 960 . 1 . 1 413 413 GLU CG C 13 34.714 0.000 . 1 . . . . . 413 GLU CG . 27879 1 961 . 1 . 1 413 413 GLU CD C 13 183.526 0.000 . 1 . . . . . 413 GLU CD . 27879 1 962 . 1 . 1 413 413 GLU N N 15 121.964 0.080 . 1 . . . . . 413 GLU N . 27879 1 963 . 1 . 1 430 430 LYS C C 13 180.406 0.050 . 1 . . . . . 430 LYS C . 27879 1 964 . 1 . 1 430 430 LYS CA C 13 58.881 0.074 . 1 . . . . . 430 LYS CA . 27879 1 965 . 1 . 1 430 430 LYS CB C 13 32.505 0.066 . 1 . . . . . 430 LYS CB . 27879 1 966 . 1 . 1 431 431 GLN C C 13 177.462 0.022 . 1 . . . . . 431 GLN C . 27879 1 967 . 1 . 1 431 431 GLN CA C 13 58.683 0.031 . 1 . . . . . 431 GLN CA . 27879 1 968 . 1 . 1 431 431 GLN CB C 13 28.757 0.013 . 1 . . . . . 431 GLN CB . 27879 1 969 . 1 . 1 431 431 GLN CD C 13 180.264 0.000 . 1 . . . . . 431 GLN CD . 27879 1 970 . 1 . 1 431 431 GLN N N 15 123.105 0.237 . 1 . . . . . 431 GLN N . 27879 1 971 . 1 . 1 432 432 ASN H H 1 8.008 0.000 . 1 . . . . . 432 ASN H . 27879 1 972 . 1 . 1 432 432 ASN HA H 1 4.792 0.002 . 1 . . . . . 432 ASN HA . 27879 1 973 . 1 . 1 432 432 ASN C C 13 174.865 0.031 . 1 . . . . . 432 ASN C . 27879 1 974 . 1 . 1 432 432 ASN CA C 13 52.964 0.058 . 1 . . . . . 432 ASN CA . 27879 1 975 . 1 . 1 432 432 ASN CB C 13 38.395 0.025 . 1 . . . . . 432 ASN CB . 27879 1 976 . 1 . 1 432 432 ASN N N 15 115.452 0.115 . 1 . . . . . 432 ASN N . 27879 1 977 . 1 . 1 433 433 GLY H H 1 7.606 0.008 . 1 . . . . . 433 GLY H . 27879 1 978 . 1 . 1 433 433 GLY HA2 H 1 4.162 0.000 . 1 . . . . . 433 GLY HA2 . 27879 1 979 . 1 . 1 433 433 GLY C C 13 173.647 0.148 . 1 . . . . . 433 GLY C . 27879 1 980 . 1 . 1 433 433 GLY CA C 13 45.000 0.131 . 1 . . . . . 433 GLY CA . 27879 1 981 . 1 . 1 433 433 GLY N N 15 105.693 0.067 . 1 . . . . . 433 GLY N . 27879 1 982 . 1 . 1 434 434 SER H H 1 8.235 0.000 . 1 . . . . . 434 SER H . 27879 1 983 . 1 . 1 434 434 SER C C 13 172.829 0.023 . 1 . . . . . 434 SER C . 27879 1 984 . 1 . 1 434 434 SER CA C 13 58.436 0.112 . 1 . . . . . 434 SER CA . 27879 1 985 . 1 . 1 434 434 SER CB C 13 60.223 0.031 . 1 . . . . . 434 SER CB . 27879 1 986 . 1 . 1 434 434 SER N N 15 111.240 0.084 . 1 . . . . . 434 SER N . 27879 1 987 . 1 . 1 435 435 ILE H H 1 7.776 0.000 . 1 . . . . . 435 ILE H . 27879 1 988 . 1 . 1 435 435 ILE HA H 1 4.389 0.000 . 1 . . . . . 435 ILE HA . 27879 1 989 . 1 . 1 435 435 ILE C C 13 175.950 0.090 . 1 . . . . . 435 ILE C . 27879 1 990 . 1 . 1 435 435 ILE CA C 13 60.236 0.105 . 1 . . . . . 435 ILE CA . 27879 1 991 . 1 . 1 435 435 ILE CB C 13 38.288 0.010 . 1 . . . . . 435 ILE CB . 27879 1 992 . 1 . 1 435 435 ILE CG2 C 13 18.559 0.020 . 1 . . . . . 435 ILE CG2 . 27879 1 993 . 1 . 1 435 435 ILE N N 15 120.168 0.173 . 1 . . . . . 435 ILE N . 27879 1 994 . 1 . 1 436 436 GLU H H 1 8.470 0.000 . 1 . . . . . 436 GLU H . 27879 1 995 . 1 . 1 436 436 GLU HA H 1 4.840 0.000 . 1 . . . . . 436 GLU HA . 27879 1 996 . 1 . 1 436 436 GLU C C 13 176.731 0.050 . 1 . . . . . 436 GLU C . 27879 1 997 . 1 . 1 436 436 GLU CA C 13 53.181 0.101 . 1 . . . . . 436 GLU CA . 27879 1 998 . 1 . 1 436 436 GLU CB C 13 33.915 0.041 . 1 . . . . . 436 GLU CB . 27879 1 999 . 1 . 1 436 436 GLU CG C 13 35.854 0.000 . 1 . . . . . 436 GLU CG . 27879 1 1000 . 1 . 1 436 436 GLU CD C 13 182.992 0.000 . 1 . . . . . 436 GLU CD . 27879 1 1001 . 1 . 1 436 436 GLU N N 15 125.076 0.207 . 1 . . . . . 436 GLU N . 27879 1 1002 . 1 . 1 437 437 GLU H H 1 9.062 0.001 . 1 . . . . . 437 GLU H . 27879 1 1003 . 1 . 1 437 437 GLU HA H 1 4.837 0.031 . 1 . . . . . 437 GLU HA . 27879 1 1004 . 1 . 1 437 437 GLU C C 13 176.069 0.018 . 1 . . . . . 437 GLU C . 27879 1 1005 . 1 . 1 437 437 GLU CA C 13 57.244 0.075 . 1 . . . . . 437 GLU CA . 27879 1 1006 . 1 . 1 437 437 GLU CB C 13 29.692 0.084 . 1 . . . . . 437 GLU CB . 27879 1 1007 . 1 . 1 437 437 GLU CG C 13 33.389 0.000 . 1 . . . . . 437 GLU CG . 27879 1 1008 . 1 . 1 437 437 GLU CD C 13 183.315 0.000 . 1 . . . . . 437 GLU CD . 27879 1 1009 . 1 . 1 437 437 GLU N N 15 122.478 0.145 . 1 . . . . . 437 GLU N . 27879 1 1010 . 1 . 1 438 438 ALA H H 1 9.293 0.038 . 1 . . . . . 438 ALA H . 27879 1 1011 . 1 . 1 438 438 ALA HA H 1 5.452 0.014 . 1 . . . . . 438 ALA HA . 27879 1 1012 . 1 . 1 438 438 ALA C C 13 175.224 0.052 . 1 . . . . . 438 ALA C . 27879 1 1013 . 1 . 1 438 438 ALA CA C 13 51.135 0.062 . 1 . . . . . 438 ALA CA . 27879 1 1014 . 1 . 1 438 438 ALA CB C 13 24.091 0.031 . 1 . . . . . 438 ALA CB . 27879 1 1015 . 1 . 1 438 438 ALA N N 15 130.766 0.197 . 1 . . . . . 438 ALA N . 27879 1 1016 . 1 . 1 439 439 GLU HA H 1 4.598 0.003 . 1 . . . . . 439 GLU HA . 27879 1 1017 . 1 . 1 439 439 GLU C C 13 175.119 0.018 . 1 . . . . . 439 GLU C . 27879 1 1018 . 1 . 1 439 439 GLU CA C 13 55.107 0.101 . 1 . . . . . 439 GLU CA . 27879 1 1019 . 1 . 1 439 439 GLU CB C 13 33.664 0.054 . 1 . . . . . 439 GLU CB . 27879 1 1020 . 1 . 1 439 439 GLU CG C 13 35.873 0.000 . 1 . . . . . 439 GLU CG . 27879 1 1021 . 1 . 1 439 439 GLU CD C 13 183.032 0.000 . 1 . . . . . 439 GLU CD . 27879 1 1022 . 1 . 1 439 439 GLU N N 15 118.633 0.228 . 1 . . . . . 439 GLU N . 27879 1 1023 . 1 . 1 440 440 ILE H H 1 8.908 0.009 . 1 . . . . . 440 ILE H . 27879 1 1024 . 1 . 1 440 440 ILE HA H 1 4.512 0.002 . 1 . . . . . 440 ILE HA . 27879 1 1025 . 1 . 1 440 440 ILE C C 13 174.786 0.043 . 1 . . . . . 440 ILE C . 27879 1 1026 . 1 . 1 440 440 ILE CA C 13 60.879 0.053 . 1 . . . . . 440 ILE CA . 27879 1 1027 . 1 . 1 440 440 ILE CB C 13 38.752 0.015 . 1 . . . . . 440 ILE CB . 27879 1 1028 . 1 . 1 440 440 ILE CG1 C 13 25.864 0.006 . 1 . . . . . 440 ILE CG1 . 27879 1 1029 . 1 . 1 440 440 ILE CG2 C 13 17.745 0.006 . 1 . . . . . 440 ILE CG2 . 27879 1 1030 . 1 . 1 440 440 ILE CD1 C 13 13.173 0.030 . 1 . . . . . 440 ILE CD1 . 27879 1 1031 . 1 . 1 440 440 ILE N N 15 120.573 0.095 . 1 . . . . . 440 ILE N . 27879 1 1032 . 1 . 1 441 441 ILE H H 1 9.864 0.010 . 1 . . . . . 441 ILE H . 27879 1 1033 . 1 . 1 441 441 ILE HA H 1 3.959 0.006 . 1 . . . . . 441 ILE HA . 27879 1 1034 . 1 . 1 441 441 ILE C C 13 176.320 0.041 . 1 . . . . . 441 ILE C . 27879 1 1035 . 1 . 1 441 441 ILE CA C 13 61.747 0.069 . 1 . . . . . 441 ILE CA . 27879 1 1036 . 1 . 1 441 441 ILE CB C 13 40.590 0.113 . 1 . . . . . 441 ILE CB . 27879 1 1037 . 1 . 1 441 441 ILE CG1 C 13 27.934 0.000 . 1 . . . . . 441 ILE CG1 . 27879 1 1038 . 1 . 1 441 441 ILE CG2 C 13 16.757 0.007 . 1 . . . . . 441 ILE CG2 . 27879 1 1039 . 1 . 1 441 441 ILE CD1 C 13 14.262 0.000 . 1 . . . . . 441 ILE CD1 . 27879 1 1040 . 1 . 1 441 441 ILE N N 15 128.404 0.091 . 1 . . . . . 441 ILE N . 27879 1 1041 . 1 . 1 442 442 VAL H H 1 9.045 0.003 . 1 . . . . . 442 VAL H . 27879 1 1042 . 1 . 1 442 442 VAL HA H 1 4.091 0.010 . 1 . . . . . 442 VAL HA . 27879 1 1043 . 1 . 1 442 442 VAL C C 13 174.219 0.026 . 1 . . . . . 442 VAL C . 27879 1 1044 . 1 . 1 442 442 VAL CA C 13 61.251 0.092 . 1 . . . . . 442 VAL CA . 27879 1 1045 . 1 . 1 442 442 VAL CB C 13 28.988 0.014 . 1 . . . . . 442 VAL CB . 27879 1 1046 . 1 . 1 442 442 VAL CG1 C 13 21.289 0.042 . 2 . . . . . 442 VAL CG1 . 27879 1 1047 . 1 . 1 442 442 VAL CG2 C 13 19.668 0.005 . 2 . . . . . 442 VAL CG2 . 27879 1 1048 . 1 . 1 442 442 VAL N N 15 129.132 0.190 . 1 . . . . . 442 VAL N . 27879 1 1049 . 1 . 1 443 443 ALA H H 1 8.091 0.013 . 1 . . . . . 443 ALA H . 27879 1 1050 . 1 . 1 443 443 ALA HA H 1 4.205 0.005 . 1 . . . . . 443 ALA HA . 27879 1 1051 . 1 . 1 443 443 ALA C C 13 176.929 0.018 . 1 . . . . . 443 ALA C . 27879 1 1052 . 1 . 1 443 443 ALA CA C 13 52.365 0.091 . 1 . . . . . 443 ALA CA . 27879 1 1053 . 1 . 1 443 443 ALA CB C 13 22.174 0.023 . 1 . . . . . 443 ALA CB . 27879 1 1054 . 1 . 1 443 443 ALA N N 15 130.449 0.162 . 1 . . . . . 443 ALA N . 27879 1 1055 . 1 . 1 444 444 LYS H H 1 7.626 0.003 . 1 . . . . . 444 LYS H . 27879 1 1056 . 1 . 1 444 444 LYS HA H 1 4.386 0.000 . 1 . . . . . 444 LYS HA . 27879 1 1057 . 1 . 1 444 444 LYS HZ1 H 1 7.774 0.000 . 1 . . . . . 444 LYS HZ1 . 27879 1 1058 . 1 . 1 444 444 LYS HZ2 H 1 7.774 0.000 . 1 . . . . . 444 LYS HZ2 . 27879 1 1059 . 1 . 1 444 444 LYS HZ3 H 1 7.774 0.000 . 1 . . . . . 444 LYS HZ3 . 27879 1 1060 . 1 . 1 444 444 LYS C C 13 173.348 0.015 . 1 . . . . . 444 LYS C . 27879 1 1061 . 1 . 1 444 444 LYS CA C 13 55.510 0.110 . 1 . . . . . 444 LYS CA . 27879 1 1062 . 1 . 1 444 444 LYS CB C 13 37.033 0.029 . 1 . . . . . 444 LYS CB . 27879 1 1063 . 1 . 1 444 444 LYS CG C 13 26.038 0.026 . 1 . . . . . 444 LYS CG . 27879 1 1064 . 1 . 1 444 444 LYS CE C 13 43.360 0.016 . 1 . . . . . 444 LYS CE . 27879 1 1065 . 1 . 1 444 444 LYS N N 15 116.350 0.262 . 1 . . . . . 444 LYS N . 27879 1 1066 . 1 . 1 444 444 LYS NZ N 15 30.801 0.019 . 1 . . . . . 444 LYS NZ . 27879 1 1067 . 1 . 1 445 445 ASN H H 1 10.046 0.000 . 1 . . . . . 445 ASN H . 27879 1 1068 . 1 . 1 445 445 ASN HA H 1 4.686 0.000 . 1 . . . . . 445 ASN HA . 27879 1 1069 . 1 . 1 445 445 ASN C C 13 172.652 0.039 . 1 . . . . . 445 ASN C . 27879 1 1070 . 1 . 1 445 445 ASN CA C 13 51.440 0.095 . 1 . . . . . 445 ASN CA . 27879 1 1071 . 1 . 1 445 445 ASN CB C 13 37.183 0.101 . 1 . . . . . 445 ASN CB . 27879 1 1072 . 1 . 1 445 445 ASN CG C 13 176.504 0.000 . 1 . . . . . 445 ASN CG . 27879 1 1073 . 1 . 1 445 445 ASN N N 15 127.314 0.209 . 1 . . . . . 445 ASN N . 27879 1 1074 . 1 . 1 446 446 ARG H H 1 8.930 0.000 . 1 . . . . . 446 ARG H . 27879 1 1075 . 1 . 1 446 446 ARG HA H 1 3.883 0.010 . 1 . . . . . 446 ARG HA . 27879 1 1076 . 1 . 1 446 446 ARG HH11 H 1 10.110 0.000 . 1 . . . . . 446 ARG HH11 . 27879 1 1077 . 1 . 1 446 446 ARG C C 13 175.109 0.016 . 1 . . . . . 446 ARG C . 27879 1 1078 . 1 . 1 446 446 ARG CA C 13 60.932 0.151 . 1 . . . . . 446 ARG CA . 27879 1 1079 . 1 . 1 446 446 ARG CB C 13 31.746 0.259 . 1 . . . . . 446 ARG CB . 27879 1 1080 . 1 . 1 446 446 ARG CG C 13 27.013 0.056 . 1 . . . . . 446 ARG CG . 27879 1 1081 . 1 . 1 446 446 ARG CD C 13 43.439 0.000 . 1 . . . . . 446 ARG CD . 27879 1 1082 . 1 . 1 446 446 ARG CZ C 13 159.789 0.036 . 1 . . . . . 446 ARG CZ . 27879 1 1083 . 1 . 1 446 446 ARG N N 15 124.857 0.190 . 1 . . . . . 446 ARG N . 27879 1 1084 . 1 . 1 446 446 ARG NE N 15 85.161 0.042 . 1 . . . . . 446 ARG NE . 27879 1 1085 . 1 . 1 446 446 ARG NH1 N 15 69.383 0.277 . 1 . . . . . 446 ARG NH1 . 27879 1 1086 . 1 . 1 446 446 ARG NH2 N 15 73.709 0.000 . 1 . . . . . 446 ARG NH2 . 27879 1 1087 . 1 . 1 447 447 ASN H H 1 7.917 0.018 . 1 . . . . . 447 ASN H . 27879 1 1088 . 1 . 1 447 447 ASN HA H 1 5.413 0.003 . 1 . . . . . 447 ASN HA . 27879 1 1089 . 1 . 1 447 447 ASN C C 13 173.956 0.045 . 1 . . . . . 447 ASN C . 27879 1 1090 . 1 . 1 447 447 ASN CA C 13 50.795 0.149 . 1 . . . . . 447 ASN CA . 27879 1 1091 . 1 . 1 447 447 ASN CB C 13 40.072 0.028 . 1 . . . . . 447 ASN CB . 27879 1 1092 . 1 . 1 447 447 ASN CG C 13 177.647 0.140 . 1 . . . . . 447 ASN CG . 27879 1 1093 . 1 . 1 447 447 ASN N N 15 109.940 0.093 . 1 . . . . . 447 ASN N . 27879 1 1094 . 1 . 1 448 448 GLY H H 1 6.963 0.018 . 1 . . . . . 448 GLY H . 27879 1 1095 . 1 . 1 448 448 GLY HA2 H 1 3.624 0.006 . 2 . . . . . 448 GLY HA2 . 27879 1 1096 . 1 . 1 448 448 GLY HA3 H 1 3.206 0.013 . 2 . . . . . 448 GLY HA3 . 27879 1 1097 . 1 . 1 448 448 GLY C C 13 168.721 0.017 . 1 . . . . . 448 GLY C . 27879 1 1098 . 1 . 1 448 448 GLY CA C 13 45.376 0.071 . 1 . . . . . 448 GLY CA . 27879 1 1099 . 1 . 1 448 448 GLY N N 15 104.441 0.109 . 1 . . . . . 448 GLY N . 27879 1 1100 . 1 . 1 449 449 ALA H H 1 8.454 0.000 . 1 . . . . . 449 ALA H . 27879 1 1101 . 1 . 1 449 449 ALA HA H 1 3.499 0.005 . 1 . . . . . 449 ALA HA . 27879 1 1102 . 1 . 1 449 449 ALA C C 13 176.801 0.032 . 1 . . . . . 449 ALA C . 27879 1 1103 . 1 . 1 449 449 ALA CA C 13 50.951 0.093 . 1 . . . . . 449 ALA CA . 27879 1 1104 . 1 . 1 449 449 ALA CB C 13 19.954 0.051 . 1 . . . . . 449 ALA CB . 27879 1 1105 . 1 . 1 449 449 ALA N N 15 120.680 0.067 . 1 . . . . . 449 ALA N . 27879 1 1106 . 1 . 1 450 450 THR H H 1 7.774 0.006 . 1 . . . . . 450 THR H . 27879 1 1107 . 1 . 1 450 450 THR HA H 1 4.142 0.003 . 1 . . . . . 450 THR HA . 27879 1 1108 . 1 . 1 450 450 THR C C 13 173.541 0.038 . 1 . . . . . 450 THR C . 27879 1 1109 . 1 . 1 450 450 THR CA C 13 59.242 0.118 . 1 . . . . . 450 THR CA . 27879 1 1110 . 1 . 1 450 450 THR CB C 13 69.848 0.025 . 1 . . . . . 450 THR CB . 27879 1 1111 . 1 . 1 450 450 THR CG2 C 13 21.817 0.006 . 1 . . . . . 450 THR CG2 . 27879 1 1112 . 1 . 1 450 450 THR N N 15 106.738 0.096 . 1 . . . . . 450 THR N . 27879 1 1113 . 1 . 1 451 451 GLY H H 1 7.571 0.027 . 1 . . . . . 451 GLY H . 27879 1 1114 . 1 . 1 451 451 GLY HA2 H 1 4.376 0.013 . 2 . . . . . 451 GLY HA2 . 27879 1 1115 . 1 . 1 451 451 GLY HA3 H 1 3.807 0.016 . 2 . . . . . 451 GLY HA3 . 27879 1 1116 . 1 . 1 451 451 GLY C C 13 171.144 0.020 . 1 . . . . . 451 GLY C . 27879 1 1117 . 1 . 1 451 451 GLY CA C 13 45.208 0.066 . 1 . . . . . 451 GLY CA . 27879 1 1118 . 1 . 1 451 451 GLY N N 15 105.807 0.122 . 1 . . . . . 451 GLY N . 27879 1 1119 . 1 . 1 452 452 THR H H 1 8.293 0.012 . 1 . . . . . 452 THR H . 27879 1 1120 . 1 . 1 452 452 THR HA H 1 4.484 0.025 . 1 . . . . . 452 THR HA . 27879 1 1121 . 1 . 1 452 452 THR C C 13 171.778 0.014 . 1 . . . . . 452 THR C . 27879 1 1122 . 1 . 1 452 452 THR CA C 13 63.052 0.089 . 1 . . . . . 452 THR CA . 27879 1 1123 . 1 . 1 452 452 THR CB C 13 71.069 0.032 . 1 . . . . . 452 THR CB . 27879 1 1124 . 1 . 1 452 452 THR CG2 C 13 21.606 0.019 . 1 . . . . . 452 THR CG2 . 27879 1 1125 . 1 . 1 452 452 THR N N 15 116.931 0.114 . 1 . . . . . 452 THR N . 27879 1 1126 . 1 . 1 453 453 VAL H H 1 9.176 0.022 . 1 . . . . . 453 VAL H . 27879 1 1127 . 1 . 1 453 453 VAL HA H 1 4.185 0.006 . 1 . . . . . 453 VAL HA . 27879 1 1128 . 1 . 1 453 453 VAL C C 13 174.366 0.077 . 1 . . . . . 453 VAL C . 27879 1 1129 . 1 . 1 453 453 VAL CA C 13 60.986 0.069 . 1 . . . . . 453 VAL CA . 27879 1 1130 . 1 . 1 453 453 VAL CB C 13 32.710 0.023 . 1 . . . . . 453 VAL CB . 27879 1 1131 . 1 . 1 453 453 VAL CG1 C 13 21.584 0.009 . 2 . . . . . 453 VAL CG1 . 27879 1 1132 . 1 . 1 453 453 VAL CG2 C 13 20.810 0.030 . 2 . . . . . 453 VAL CG2 . 27879 1 1133 . 1 . 1 453 453 VAL N N 15 128.044 0.189 . 1 . . . . . 453 VAL N . 27879 1 1134 . 1 . 1 454 454 TYR H H 1 8.816 0.003 . 1 . . . . . 454 TYR H . 27879 1 1135 . 1 . 1 454 454 TYR HA H 1 4.768 0.031 . 1 . . . . . 454 TYR HA . 27879 1 1136 . 1 . 1 454 454 TYR C C 13 175.468 0.029 . 1 . . . . . 454 TYR C . 27879 1 1137 . 1 . 1 454 454 TYR CA C 13 59.879 0.100 . 1 . . . . . 454 TYR CA . 27879 1 1138 . 1 . 1 454 454 TYR CB C 13 38.053 0.102 . 1 . . . . . 454 TYR CB . 27879 1 1139 . 1 . 1 454 454 TYR CD1 C 13 133.251 0.000 . 1 . . . . . 454 TYR CD1 . 27879 1 1140 . 1 . 1 454 454 TYR CD2 C 13 132.009 0.000 . 1 . . . . . 454 TYR CD2 . 27879 1 1141 . 1 . 1 454 454 TYR N N 15 128.409 0.155 . 1 . . . . . 454 TYR N . 27879 1 1142 . 1 . 1 455 455 THR H H 1 8.753 0.019 . 1 . . . . . 455 THR H . 27879 1 1143 . 1 . 1 455 455 THR HA H 1 5.103 0.006 . 1 . . . . . 455 THR HA . 27879 1 1144 . 1 . 1 455 455 THR C C 13 173.772 0.013 . 1 . . . . . 455 THR C . 27879 1 1145 . 1 . 1 455 455 THR CA C 13 59.947 0.054 . 1 . . . . . 455 THR CA . 27879 1 1146 . 1 . 1 455 455 THR CB C 13 72.525 0.097 . 1 . . . . . 455 THR CB . 27879 1 1147 . 1 . 1 455 455 THR CG2 C 13 22.455 0.088 . 1 . . . . . 455 THR CG2 . 27879 1 1148 . 1 . 1 455 455 THR N N 15 114.597 0.154 . 1 . . . . . 455 THR N . 27879 1 1149 . 1 . 1 456 456 ARG H H 1 9.092 0.022 . 1 . . . . . 456 ARG H . 27879 1 1150 . 1 . 1 456 456 ARG HA H 1 5.556 0.016 . 1 . . . . . 456 ARG HA . 27879 1 1151 . 1 . 1 456 456 ARG C C 13 175.260 0.079 . 1 . . . . . 456 ARG C . 27879 1 1152 . 1 . 1 456 456 ARG CA C 13 54.393 0.094 . 1 . . . . . 456 ARG CA . 27879 1 1153 . 1 . 1 456 456 ARG CB C 13 33.218 0.043 . 1 . . . . . 456 ARG CB . 27879 1 1154 . 1 . 1 456 456 ARG CG C 13 27.691 0.177 . 1 . . . . . 456 ARG CG . 27879 1 1155 . 1 . 1 456 456 ARG CD C 13 42.439 0.000 . 1 . . . . . 456 ARG CD . 27879 1 1156 . 1 . 1 456 456 ARG N N 15 119.639 0.224 . 1 . . . . . 456 ARG N . 27879 1 1157 . 1 . 1 457 457 PHE H H 1 9.519 0.004 . 1 . . . . . 457 PHE H . 27879 1 1158 . 1 . 1 457 457 PHE HA H 1 4.721 0.013 . 1 . . . . . 457 PHE HA . 27879 1 1159 . 1 . 1 457 457 PHE C C 13 173.332 0.046 . 1 . . . . . 457 PHE C . 27879 1 1160 . 1 . 1 457 457 PHE CA C 13 55.400 0.101 . 1 . . . . . 457 PHE CA . 27879 1 1161 . 1 . 1 457 457 PHE CB C 13 39.997 0.008 . 1 . . . . . 457 PHE CB . 27879 1 1162 . 1 . 1 457 457 PHE CG C 13 137.702 0.000 . 1 . . . . . 457 PHE CG . 27879 1 1163 . 1 . 1 457 457 PHE CE1 C 13 130.324 0.000 . 1 . . . . . 457 PHE CE1 . 27879 1 1164 . 1 . 1 457 457 PHE CE2 C 13 130.324 0.000 . 1 . . . . . 457 PHE CE2 . 27879 1 1165 . 1 . 1 457 457 PHE N N 15 121.901 0.235 . 1 . . . . . 457 PHE N . 27879 1 1166 . 1 . 1 458 458 ASN H H 1 8.997 0.012 . 1 . . . . . 458 ASN H . 27879 1 1167 . 1 . 1 458 458 ASN HA H 1 4.113 0.003 . 1 . . . . . 458 ASN HA . 27879 1 1168 . 1 . 1 458 458 ASN C C 13 173.404 0.048 . 1 . . . . . 458 ASN C . 27879 1 1169 . 1 . 1 458 458 ASN CA C 13 51.080 0.096 . 1 . . . . . 458 ASN CA . 27879 1 1170 . 1 . 1 458 458 ASN CB C 13 36.377 0.045 . 1 . . . . . 458 ASN CB . 27879 1 1171 . 1 . 1 458 458 ASN CG C 13 174.630 0.022 . 1 . . . . . 458 ASN CG . 27879 1 1172 . 1 . 1 458 458 ASN N N 15 129.276 0.081 . 1 . . . . . 458 ASN N . 27879 1 1173 . 1 . 1 459 459 ALA H H 1 6.254 0.029 . 1 . . . . . 459 ALA H . 27879 1 1174 . 1 . 1 459 459 ALA HA H 1 2.429 0.000 . 1 . . . . . 459 ALA HA . 27879 1 1175 . 1 . 1 459 459 ALA C C 13 174.164 0.042 . 1 . . . . . 459 ALA C . 27879 1 1176 . 1 . 1 459 459 ALA CA C 13 55.819 0.088 . 1 . . . . . 459 ALA CA . 27879 1 1177 . 1 . 1 459 459 ALA CB C 13 17.651 0.016 . 1 . . . . . 459 ALA CB . 27879 1 1178 . 1 . 1 459 459 ALA N N 15 125.222 0.094 . 1 . . . . . 459 ALA N . 27879 1 1179 . 1 . 1 460 460 PRO C C 13 175.782 0.078 . 1 . . . . . 460 PRO C . 27879 1 1180 . 1 . 1 460 460 PRO CA C 13 64.102 0.090 . 1 . . . . . 460 PRO CA . 27879 1 1181 . 1 . 1 460 460 PRO CB C 13 30.628 0.033 . 1 . . . . . 460 PRO CB . 27879 1 1182 . 1 . 1 460 460 PRO CG C 13 28.412 0.000 . 1 . . . . . 460 PRO CG . 27879 1 1183 . 1 . 1 460 460 PRO CD C 13 49.941 0.000 . 1 . . . . . 460 PRO CD . 27879 1 1184 . 1 . 1 460 460 PRO N N 15 128.815 0.141 . 1 . . . . . 460 PRO N . 27879 1 1185 . 1 . 1 461 461 PHE H H 1 5.962 0.000 . 1 . . . . . 461 PHE H . 27879 1 1186 . 1 . 1 461 461 PHE HA H 1 5.027 0.029 . 1 . . . . . 461 PHE HA . 27879 1 1187 . 1 . 1 461 461 PHE C C 13 173.647 0.107 . 1 . . . . . 461 PHE C . 27879 1 1188 . 1 . 1 461 461 PHE CA C 13 52.163 0.143 . 1 . . . . . 461 PHE CA . 27879 1 1189 . 1 . 1 461 461 PHE CB C 13 38.388 0.018 . 1 . . . . . 461 PHE CB . 27879 1 1190 . 1 . 1 461 461 PHE N N 15 112.323 0.134 . 1 . . . . . 461 PHE N . 27879 1 1191 . 1 . 1 462 462 THR H H 1 7.474 0.000 . 1 . . . . . 462 THR H . 27879 1 1192 . 1 . 1 462 462 THR HA H 1 2.969 0.004 . 1 . . . . . 462 THR HA . 27879 1 1193 . 1 . 1 462 462 THR C C 13 173.302 0.055 . 1 . . . . . 462 THR C . 27879 1 1194 . 1 . 1 462 462 THR CA C 13 60.921 0.103 . 1 . . . . . 462 THR CA . 27879 1 1195 . 1 . 1 462 462 THR CB C 13 68.294 0.044 . 1 . . . . . 462 THR CB . 27879 1 1196 . 1 . 1 462 462 THR CG2 C 13 22.121 0.025 . 1 . . . . . 462 THR CG2 . 27879 1 1197 . 1 . 1 462 462 THR N N 15 108.576 0.235 . 1 . . . . . 462 THR N . 27879 1 1198 . 1 . 1 463 463 ARG H H 1 6.716 0.018 . 1 . . . . . 463 ARG H . 27879 1 1199 . 1 . 1 463 463 ARG CA C 13 54.550 0.066 . 1 . . . . . 463 ARG CA . 27879 1 1200 . 1 . 1 463 463 ARG CB C 13 33.229 0.000 . 1 . . . . . 463 ARG CB . 27879 1 1201 . 1 . 1 463 463 ARG N N 15 115.794 0.101 . 1 . . . . . 463 ARG N . 27879 1 stop_ save_