data_52978 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52978 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignment for human E3 ubiquitin-protein ligase SH3RF1 intrinsically disordered region (260-445) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-24 _Entry.Accession_date 2025-03-24 _Entry.Last_release_date 2025-03-24 _Entry.Original_release_date 2025-03-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kjaer Lenette . F. . . 52978 2 Bessa Luiza . M. . . 52978 3 Elise Delaforge . . . . 52978 4 Malene Jensen . R. . . 52978 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale' . 52978 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52978 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 52978 '15N chemical shifts' 151 52978 '1H chemical shifts' 151 52978 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-11-05 . original BMRB . 52978 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52979 'Backbone assignment for human E3 ubiquitin-protein ligase SH3RF1 intrinsically disordered region (315-380)' 52978 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52978 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Hierarchical folding-upon-binding of an intrinsically disordered protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kjaer Lenette . F. . . 52978 1 2 Elise Delaforge . . . . 52978 1 3 Malene Jensen . R. . . 52978 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52978 _Assembly.ID 1 _Assembly.Name 'POSH 260-445' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'POSH 260-445' 1 $entity_1 . . yes native no no . . . 52978 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52978 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRRAKQLIEWDKPPVPGVDA GECSSAAAQSSTAPKHSDTK KNTKKRHSFTSLTMANKSSQ ASQNRHSMEISPPVLISSSN PTAAARISELSGLSCSAPSQ VHISTTGLIVTPPPSSPVTT GPSFTFPSDVPYQAALGTLN PPLPPPPLLAATVLASTPPG ATAAAAAAGMGPRPMAGSTD QIAHLRPQT ; _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 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q7Z6J0 . . . . . . . . . . . . . . . . 52978 1 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 1 257 GLY . 52978 1 2 258 ARG . 52978 1 3 259 ARG . 52978 1 4 260 ALA . 52978 1 5 261 LYS . 52978 1 6 262 GLN . 52978 1 7 263 LEU . 52978 1 8 264 ILE . 52978 1 9 265 GLU . 52978 1 10 266 TRP . 52978 1 11 267 ASP . 52978 1 12 268 LYS . 52978 1 13 269 PRO . 52978 1 14 270 PRO . 52978 1 15 271 VAL . 52978 1 16 272 PRO . 52978 1 17 273 GLY . 52978 1 18 274 VAL . 52978 1 19 275 ASP . 52978 1 20 276 ALA . 52978 1 21 277 GLY . 52978 1 22 278 GLU . 52978 1 23 279 CYS . 52978 1 24 280 SER . 52978 1 25 281 SER . 52978 1 26 282 ALA . 52978 1 27 283 ALA . 52978 1 28 284 ALA . 52978 1 29 285 GLN . 52978 1 30 286 SER . 52978 1 31 287 SER . 52978 1 32 288 THR . 52978 1 33 289 ALA . 52978 1 34 290 PRO . 52978 1 35 291 LYS . 52978 1 36 292 HIS . 52978 1 37 293 SER . 52978 1 38 294 ASP . 52978 1 39 295 THR . 52978 1 40 296 LYS . 52978 1 41 297 LYS . 52978 1 42 298 ASN . 52978 1 43 299 THR . 52978 1 44 300 LYS . 52978 1 45 301 LYS . 52978 1 46 302 ARG . 52978 1 47 303 HIS . 52978 1 48 304 SER . 52978 1 49 305 PHE . 52978 1 50 306 THR . 52978 1 51 307 SER . 52978 1 52 308 LEU . 52978 1 53 309 THR . 52978 1 54 310 MET . 52978 1 55 311 ALA . 52978 1 56 312 ASN . 52978 1 57 313 LYS . 52978 1 58 314 SER . 52978 1 59 315 SER . 52978 1 60 316 GLN . 52978 1 61 317 ALA . 52978 1 62 318 SER . 52978 1 63 319 GLN . 52978 1 64 320 ASN . 52978 1 65 321 ARG . 52978 1 66 322 HIS . 52978 1 67 323 SER . 52978 1 68 324 MET . 52978 1 69 325 GLU . 52978 1 70 326 ILE . 52978 1 71 327 SER . 52978 1 72 328 PRO . 52978 1 73 329 PRO . 52978 1 74 330 VAL . 52978 1 75 331 LEU . 52978 1 76 332 ILE . 52978 1 77 333 SER . 52978 1 78 334 SER . 52978 1 79 335 SER . 52978 1 80 336 ASN . 52978 1 81 337 PRO . 52978 1 82 338 THR . 52978 1 83 339 ALA . 52978 1 84 340 ALA . 52978 1 85 341 ALA . 52978 1 86 342 ARG . 52978 1 87 343 ILE . 52978 1 88 344 SER . 52978 1 89 345 GLU . 52978 1 90 346 LEU . 52978 1 91 347 SER . 52978 1 92 348 GLY . 52978 1 93 349 LEU . 52978 1 94 350 SER . 52978 1 95 351 CYS . 52978 1 96 352 SER . 52978 1 97 353 ALA . 52978 1 98 354 PRO . 52978 1 99 355 SER . 52978 1 100 356 GLN . 52978 1 101 357 VAL . 52978 1 102 358 HIS . 52978 1 103 359 ILE . 52978 1 104 360 SER . 52978 1 105 361 THR . 52978 1 106 362 THR . 52978 1 107 363 GLY . 52978 1 108 364 LEU . 52978 1 109 365 ILE . 52978 1 110 366 VAL . 52978 1 111 367 THR . 52978 1 112 368 PRO . 52978 1 113 369 PRO . 52978 1 114 370 PRO . 52978 1 115 371 SER . 52978 1 116 372 SER . 52978 1 117 373 PRO . 52978 1 118 374 VAL . 52978 1 119 375 THR . 52978 1 120 376 THR . 52978 1 121 377 GLY . 52978 1 122 378 PRO . 52978 1 123 379 SER . 52978 1 124 380 PHE . 52978 1 125 381 THR . 52978 1 126 382 PHE . 52978 1 127 383 PRO . 52978 1 128 384 SER . 52978 1 129 385 ASP . 52978 1 130 386 VAL . 52978 1 131 387 PRO . 52978 1 132 388 TYR . 52978 1 133 389 GLN . 52978 1 134 390 ALA . 52978 1 135 391 ALA . 52978 1 136 392 LEU . 52978 1 137 393 GLY . 52978 1 138 394 THR . 52978 1 139 395 LEU . 52978 1 140 396 ASN . 52978 1 141 397 PRO . 52978 1 142 398 PRO . 52978 1 143 399 LEU . 52978 1 144 400 PRO . 52978 1 145 401 PRO . 52978 1 146 402 PRO . 52978 1 147 403 PRO . 52978 1 148 404 LEU . 52978 1 149 405 LEU . 52978 1 150 406 ALA . 52978 1 151 407 ALA . 52978 1 152 408 THR . 52978 1 153 409 VAL . 52978 1 154 410 LEU . 52978 1 155 411 ALA . 52978 1 156 412 SER . 52978 1 157 413 THR . 52978 1 158 414 PRO . 52978 1 159 415 PRO . 52978 1 160 416 GLY . 52978 1 161 417 ALA . 52978 1 162 418 THR . 52978 1 163 419 ALA . 52978 1 164 420 ALA . 52978 1 165 421 ALA . 52978 1 166 422 ALA . 52978 1 167 423 ALA . 52978 1 168 424 ALA . 52978 1 169 425 GLY . 52978 1 170 426 MET . 52978 1 171 427 GLY . 52978 1 172 428 PRO . 52978 1 173 429 ARG . 52978 1 174 430 PRO . 52978 1 175 431 MET . 52978 1 176 432 ALA . 52978 1 177 433 GLY . 52978 1 178 434 SER . 52978 1 179 435 THR . 52978 1 180 436 ASP . 52978 1 181 437 GLN . 52978 1 182 438 ILE . 52978 1 183 439 ALA . 52978 1 184 440 HIS . 52978 1 185 441 LEU . 52978 1 186 442 ARG . 52978 1 187 443 PRO . 52978 1 188 444 GLN . 52978 1 189 445 THR . 52978 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52978 1 . ARG 2 2 52978 1 . ARG 3 3 52978 1 . ALA 4 4 52978 1 . LYS 5 5 52978 1 . GLN 6 6 52978 1 . LEU 7 7 52978 1 . ILE 8 8 52978 1 . GLU 9 9 52978 1 . TRP 10 10 52978 1 . ASP 11 11 52978 1 . LYS 12 12 52978 1 . PRO 13 13 52978 1 . PRO 14 14 52978 1 . VAL 15 15 52978 1 . PRO 16 16 52978 1 . GLY 17 17 52978 1 . VAL 18 18 52978 1 . ASP 19 19 52978 1 . ALA 20 20 52978 1 . GLY 21 21 52978 1 . GLU 22 22 52978 1 . CYS 23 23 52978 1 . SER 24 24 52978 1 . SER 25 25 52978 1 . ALA 26 26 52978 1 . ALA 27 27 52978 1 . ALA 28 28 52978 1 . GLN 29 29 52978 1 . SER 30 30 52978 1 . SER 31 31 52978 1 . THR 32 32 52978 1 . ALA 33 33 52978 1 . PRO 34 34 52978 1 . LYS 35 35 52978 1 . HIS 36 36 52978 1 . SER 37 37 52978 1 . ASP 38 38 52978 1 . THR 39 39 52978 1 . LYS 40 40 52978 1 . LYS 41 41 52978 1 . ASN 42 42 52978 1 . THR 43 43 52978 1 . LYS 44 44 52978 1 . LYS 45 45 52978 1 . ARG 46 46 52978 1 . HIS 47 47 52978 1 . SER 48 48 52978 1 . PHE 49 49 52978 1 . THR 50 50 52978 1 . SER 51 51 52978 1 . LEU 52 52 52978 1 . THR 53 53 52978 1 . MET 54 54 52978 1 . ALA 55 55 52978 1 . ASN 56 56 52978 1 . LYS 57 57 52978 1 . SER 58 58 52978 1 . SER 59 59 52978 1 . GLN 60 60 52978 1 . ALA 61 61 52978 1 . SER 62 62 52978 1 . GLN 63 63 52978 1 . ASN 64 64 52978 1 . ARG 65 65 52978 1 . HIS 66 66 52978 1 . SER 67 67 52978 1 . MET 68 68 52978 1 . GLU 69 69 52978 1 . ILE 70 70 52978 1 . SER 71 71 52978 1 . PRO 72 72 52978 1 . PRO 73 73 52978 1 . VAL 74 74 52978 1 . LEU 75 75 52978 1 . ILE 76 76 52978 1 . SER 77 77 52978 1 . SER 78 78 52978 1 . SER 79 79 52978 1 . ASN 80 80 52978 1 . PRO 81 81 52978 1 . THR 82 82 52978 1 . ALA 83 83 52978 1 . ALA 84 84 52978 1 . ALA 85 85 52978 1 . ARG 86 86 52978 1 . ILE 87 87 52978 1 . SER 88 88 52978 1 . GLU 89 89 52978 1 . LEU 90 90 52978 1 . SER 91 91 52978 1 . GLY 92 92 52978 1 . LEU 93 93 52978 1 . SER 94 94 52978 1 . CYS 95 95 52978 1 . SER 96 96 52978 1 . ALA 97 97 52978 1 . PRO 98 98 52978 1 . SER 99 99 52978 1 . GLN 100 100 52978 1 . VAL 101 101 52978 1 . HIS 102 102 52978 1 . ILE 103 103 52978 1 . SER 104 104 52978 1 . THR 105 105 52978 1 . THR 106 106 52978 1 . GLY 107 107 52978 1 . LEU 108 108 52978 1 . ILE 109 109 52978 1 . VAL 110 110 52978 1 . THR 111 111 52978 1 . PRO 112 112 52978 1 . PRO 113 113 52978 1 . PRO 114 114 52978 1 . SER 115 115 52978 1 . SER 116 116 52978 1 . PRO 117 117 52978 1 . VAL 118 118 52978 1 . THR 119 119 52978 1 . THR 120 120 52978 1 . GLY 121 121 52978 1 . PRO 122 122 52978 1 . SER 123 123 52978 1 . PHE 124 124 52978 1 . THR 125 125 52978 1 . PHE 126 126 52978 1 . PRO 127 127 52978 1 . SER 128 128 52978 1 . ASP 129 129 52978 1 . VAL 130 130 52978 1 . PRO 131 131 52978 1 . TYR 132 132 52978 1 . GLN 133 133 52978 1 . ALA 134 134 52978 1 . ALA 135 135 52978 1 . LEU 136 136 52978 1 . GLY 137 137 52978 1 . THR 138 138 52978 1 . LEU 139 139 52978 1 . ASN 140 140 52978 1 . PRO 141 141 52978 1 . PRO 142 142 52978 1 . LEU 143 143 52978 1 . PRO 144 144 52978 1 . PRO 145 145 52978 1 . PRO 146 146 52978 1 . PRO 147 147 52978 1 . LEU 148 148 52978 1 . LEU 149 149 52978 1 . ALA 150 150 52978 1 . ALA 151 151 52978 1 . THR 152 152 52978 1 . VAL 153 153 52978 1 . LEU 154 154 52978 1 . ALA 155 155 52978 1 . SER 156 156 52978 1 . THR 157 157 52978 1 . PRO 158 158 52978 1 . PRO 159 159 52978 1 . GLY 160 160 52978 1 . ALA 161 161 52978 1 . THR 162 162 52978 1 . ALA 163 163 52978 1 . ALA 164 164 52978 1 . ALA 165 165 52978 1 . ALA 166 166 52978 1 . ALA 167 167 52978 1 . ALA 168 168 52978 1 . GLY 169 169 52978 1 . MET 170 170 52978 1 . GLY 171 171 52978 1 . PRO 172 172 52978 1 . ARG 173 173 52978 1 . PRO 174 174 52978 1 . MET 175 175 52978 1 . ALA 176 176 52978 1 . GLY 177 177 52978 1 . SER 178 178 52978 1 . THR 179 179 52978 1 . ASP 180 180 52978 1 . GLN 181 181 52978 1 . ILE 182 182 52978 1 . ALA 183 183 52978 1 . HIS 184 184 52978 1 . LEU 185 185 52978 1 . ARG 186 186 52978 1 . PRO 187 187 52978 1 . GLN 188 188 52978 1 . THR 189 189 52978 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52978 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52978 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52978 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pEsprit . . 'See PMID: 28470598 for details about the vector' 52978 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52978 _Sample.ID 1 _Sample.Name 'POSH 260-445' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'POSH 260-445' '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52978 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52978 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52978 1 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 52978 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 52978 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 52978 _Sample_condition_list.ID 1 _Sample_condition_list.Name assignment _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.215 . M 52978 1 pH 6 . pH 52978 1 pressure 1 . atm 52978 1 temperature 298.15 . K 52978 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52978 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52978 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52978 _Software.ID 2 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52978 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52978 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52978 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52978 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52978 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52978 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52978 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52978 1 4 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52978 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52978 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52978 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'POSH 260-445' _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 water protons . . . . ppm 4.854 internal indirect 0.25146 . . . . . 52978 1 H 1 water protons . . . . ppm 4.854 internal direct 1 . . . . . 52978 1 N 15 water protons . . . . ppm 4.854 internal indirect 0.10134 . . . . . 52978 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'POSH 260-445' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 52978 1 3 '3D HN(CA)CO' . . . 52978 1 4 '3D HN(CO)CACB' . . . 52978 1 5 '3D HNCACB' . . . 52978 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52978 1 2 $software_2 . . 52978 1 3 $software_3 . . 52978 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 3 3 ARG H H 1 8.541 . . . . . . . . 259 R HN . 52978 1 2 . 1 . 1 3 3 ARG C C 13 176.014 . . . . . . . . 259 R CO . 52978 1 3 . 1 . 1 3 3 ARG CA C 13 56.166 . . . . . . . . 259 R CA . 52978 1 4 . 1 . 1 3 3 ARG CB C 13 30.882 . . . . . . . . 259 R CB . 52978 1 5 . 1 . 1 3 3 ARG N N 15 123.211 . . . . . . . . 259 R N . 52978 1 6 . 1 . 1 4 4 ALA H H 1 8.388 . . . . . . . . 260 A HN . 52978 1 7 . 1 . 1 4 4 ALA C C 13 177.705 . . . . . . . . 260 A CO . 52978 1 8 . 1 . 1 4 4 ALA CA C 13 52.581 . . . . . . . . 260 A CA . 52978 1 9 . 1 . 1 4 4 ALA CB C 13 19.31 . . . . . . . . 260 A CB . 52978 1 10 . 1 . 1 4 4 ALA N N 15 126.06 . . . . . . . . 260 A N . 52978 1 11 . 1 . 1 5 5 LYS H H 1 8.295 . . . . . . . . 261 K HN . 52978 1 12 . 1 . 1 5 5 LYS C C 13 176.496 . . . . . . . . 261 K CO . 52978 1 13 . 1 . 1 5 5 LYS CA C 13 56.669 . . . . . . . . 261 K CA . 52978 1 14 . 1 . 1 5 5 LYS CB C 13 33.039 . . . . . . . . 261 K CB . 52978 1 15 . 1 . 1 5 5 LYS N N 15 120.787 . . . . . . . . 261 K N . 52978 1 16 . 1 . 1 6 6 GLN H H 1 8.381 . . . . . . . . 262 Q HN . 52978 1 17 . 1 . 1 6 6 GLN C C 13 175.652 . . . . . . . . 262 Q CO . 52978 1 18 . 1 . 1 6 6 GLN CA C 13 55.836 . . . . . . . . 262 Q CA . 52978 1 19 . 1 . 1 6 6 GLN CB C 13 29.584 . . . . . . . . 262 Q CB . 52978 1 20 . 1 . 1 6 6 GLN N N 15 121.62 . . . . . . . . 262 Q N . 52978 1 21 . 1 . 1 7 7 LEU H H 1 8.244 . . . . . . . . 263 L HN . 52978 1 22 . 1 . 1 7 7 LEU C C 13 177.007 . . . . . . . . 263 L CO . 52978 1 23 . 1 . 1 7 7 LEU CA C 13 55.445 . . . . . . . . 263 L CA . 52978 1 24 . 1 . 1 7 7 LEU CB C 13 42.253 . . . . . . . . 263 L CB . 52978 1 25 . 1 . 1 7 7 LEU N N 15 123.978 . . . . . . . . 263 L N . 52978 1 26 . 1 . 1 8 8 ILE H H 1 8.027 . . . . . . . . 264 I HN . 52978 1 27 . 1 . 1 8 8 ILE C C 13 175.95 . . . . . . . . 264 I CO . 52978 1 28 . 1 . 1 8 8 ILE CA C 13 60.953 . . . . . . . . 264 I CA . 52978 1 29 . 1 . 1 8 8 ILE CB C 13 38.757 . . . . . . . . 264 I CB . 52978 1 30 . 1 . 1 8 8 ILE N N 15 121.704 . . . . . . . . 264 I N . 52978 1 31 . 1 . 1 9 9 GLU H H 1 8.34 . . . . . . . . 265 E HN . 52978 1 32 . 1 . 1 9 9 GLU C C 13 176.011 . . . . . . . . 265 E CO . 52978 1 33 . 1 . 1 9 9 GLU CA C 13 56.111 . . . . . . . . 265 E CA . 52978 1 34 . 1 . 1 9 9 GLU CB C 13 30.322 . . . . . . . . 265 E CB . 52978 1 35 . 1 . 1 9 9 GLU N N 15 124.671 . . . . . . . . 265 E N . 52978 1 36 . 1 . 1 10 10 TRP H H 1 8.002 . . . . . . . . 266 W HN . 52978 1 37 . 1 . 1 10 10 TRP C C 13 175.835 . . . . . . . . 266 W CO . 52978 1 38 . 1 . 1 10 10 TRP CA C 13 57.113 . . . . . . . . 266 W CA . 52978 1 39 . 1 . 1 10 10 TRP CB C 13 29.795 . . . . . . . . 266 W CB . 52978 1 40 . 1 . 1 10 10 TRP N N 15 121.923 . . . . . . . . 266 W N . 52978 1 41 . 1 . 1 11 11 ASP H H 1 8.27 . . . . . . . . 267 D HN . 52978 1 42 . 1 . 1 11 11 ASP C C 13 175.399 . . . . . . . . 267 D CO . 52978 1 43 . 1 . 1 11 11 ASP N N 15 121.409 . . . . . . . . 267 D N . 52978 1 44 . 1 . 1 12 12 LYS H H 1 7.834 . . . . . . . . 268 K HN . 52978 1 45 . 1 . 1 12 12 LYS C C 13 173.775 . . . . . . . . 268 K CO . 52978 1 46 . 1 . 1 12 12 LYS CA C 13 53.899 . . . . . . . . 268 K CA . 52978 1 47 . 1 . 1 12 12 LYS CB C 13 32.713 . . . . . . . . 268 K CB . 52978 1 48 . 1 . 1 12 12 LYS N N 15 121.873 . . . . . . . . 268 K N . 52978 1 49 . 1 . 1 15 15 VAL H H 1 8.226 . . . . . . . . 271 V HN . 52978 1 50 . 1 . 1 15 15 VAL C C 13 174.62 . . . . . . . . 271 V CO . 52978 1 51 . 1 . 1 15 15 VAL CA C 13 59.773 . . . . . . . . 271 V CA . 52978 1 52 . 1 . 1 15 15 VAL CB C 13 32.929 . . . . . . . . 271 V CB . 52978 1 53 . 1 . 1 15 15 VAL N N 15 121.735 . . . . . . . . 271 V N . 52978 1 54 . 1 . 1 17 17 GLY H H 1 8.469 . . . . . . . . 273 G HN . 52978 1 55 . 1 . 1 17 17 GLY C C 13 174.255 . . . . . . . . 273 G CO . 52978 1 56 . 1 . 1 17 17 GLY CA C 13 45.269 . . . . . . . . 273 G CA . 52978 1 57 . 1 . 1 17 17 GLY N N 15 109.667 . . . . . . . . 273 G N . 52978 1 58 . 1 . 1 18 18 VAL H H 1 7.936 . . . . . . . . 274 V HN . 52978 1 59 . 1 . 1 18 18 VAL C C 13 175.929 . . . . . . . . 274 V CO . 52978 1 60 . 1 . 1 18 18 VAL CA C 13 62.375 . . . . . . . . 274 V CA . 52978 1 61 . 1 . 1 18 18 VAL CB C 13 32.904 . . . . . . . . 274 V CB . 52978 1 62 . 1 . 1 18 18 VAL N N 15 119.265 . . . . . . . . 274 V N . 52978 1 63 . 1 . 1 19 19 ASP H H 1 8.464 . . . . . . . . 275 D HN . 52978 1 64 . 1 . 1 19 19 ASP C C 13 176.014 . . . . . . . . 275 D CO . 52978 1 65 . 1 . 1 19 19 ASP CA C 13 54.23 . . . . . . . . 275 D CA . 52978 1 66 . 1 . 1 19 19 ASP CB C 13 41.36 . . . . . . . . 275 D CB . 52978 1 67 . 1 . 1 19 19 ASP N N 15 123.93 . . . . . . . . 275 D N . 52978 1 68 . 1 . 1 20 20 ALA H H 1 8.323 . . . . . . . . 276 A HN . 52978 1 69 . 1 . 1 20 20 ALA C C 13 178.319 . . . . . . . . 276 A CO . 52978 1 70 . 1 . 1 20 20 ALA CA C 13 52.884 . . . . . . . . 276 A CA . 52978 1 71 . 1 . 1 20 20 ALA CB C 13 19.256 . . . . . . . . 276 A CB . 52978 1 72 . 1 . 1 20 20 ALA N N 15 125.359 . . . . . . . . 276 A N . 52978 1 73 . 1 . 1 21 21 GLY H H 1 8.412 . . . . . . . . 277 G HN . 52978 1 74 . 1 . 1 21 21 GLY C C 13 174.422 . . . . . . . . 277 G CO . 52978 1 75 . 1 . 1 21 21 GLY CA C 13 45.365 . . . . . . . . 277 G CA . 52978 1 76 . 1 . 1 21 21 GLY N N 15 107.727 . . . . . . . . 277 G N . 52978 1 77 . 1 . 1 22 22 GLU H H 1 8.276 . . . . . . . . 278 E HN . 52978 1 78 . 1 . 1 22 22 GLU C C 13 176.737 . . . . . . . . 278 E CO . 52978 1 79 . 1 . 1 22 22 GLU CA C 13 56.669 . . . . . . . . 278 E CA . 52978 1 80 . 1 . 1 22 22 GLU CB C 13 30.245 . . . . . . . . 278 E CB . 52978 1 81 . 1 . 1 22 22 GLU N N 15 120.706 . . . . . . . . 278 E N . 52978 1 82 . 1 . 1 23 23 CYS H H 1 8.462 . . . . . . . . 279 C HN . 52978 1 83 . 1 . 1 23 23 CYS C C 13 174.897 . . . . . . . . 279 C CO . 52978 1 84 . 1 . 1 23 23 CYS CA C 13 58.663 . . . . . . . . 279 C CA . 52978 1 85 . 1 . 1 23 23 CYS CB C 13 27.905 . . . . . . . . 279 C CB . 52978 1 86 . 1 . 1 23 23 CYS N N 15 120.209 . . . . . . . . 279 C N . 52978 1 87 . 1 . 1 24 24 SER H H 1 8.448 . . . . . . . . 280 S HN . 52978 1 88 . 1 . 1 24 24 SER CA C 13 58.672 . . . . . . . . 280 S CA . 52978 1 89 . 1 . 1 24 24 SER CB C 13 63.814 . . . . . . . . 280 S CB . 52978 1 90 . 1 . 1 24 24 SER N N 15 118.525 . . . . . . . . 280 S N . 52978 1 91 . 1 . 1 25 25 SER H H 1 8.367 . . . . . . . . 281 S HN . 52978 1 92 . 1 . 1 25 25 SER C C 13 174.605 . . . . . . . . 281 S CO . 52978 1 93 . 1 . 1 25 25 SER CA C 13 58.631 . . . . . . . . 281 S CA . 52978 1 94 . 1 . 1 25 25 SER CB C 13 63.883 . . . . . . . . 281 S CB . 52978 1 95 . 1 . 1 25 25 SER N N 15 118.087 . . . . . . . . 281 S N . 52978 1 96 . 1 . 1 26 26 ALA H H 1 8.268 . . . . . . . . 282 A HN . 52978 1 97 . 1 . 1 26 26 ALA C C 13 177.906 . . . . . . . . 282 A CO . 52978 1 98 . 1 . 1 26 26 ALA CA C 13 52.959 . . . . . . . . 282 A CA . 52978 1 99 . 1 . 1 26 26 ALA CB C 13 19.047 . . . . . . . . 282 A CB . 52978 1 100 . 1 . 1 26 26 ALA N N 15 125.9 . . . . . . . . 282 A N . 52978 1 101 . 1 . 1 27 27 ALA H H 1 8.12 . . . . . . . . 283 A HN . 52978 1 102 . 1 . 1 27 27 ALA CA C 13 52.764 . . . . . . . . 283 A CA . 52978 1 103 . 1 . 1 27 27 ALA CB C 13 19.062 . . . . . . . . 283 A CB . 52978 1 104 . 1 . 1 27 27 ALA N N 15 122.729 . . . . . . . . 283 A N . 52978 1 105 . 1 . 1 28 28 ALA H H 1 8.133 . . . . . . . . 284 A HN . 52978 1 106 . 1 . 1 28 28 ALA C C 13 178.065 . . . . . . . . 284 A CO . 52978 1 107 . 1 . 1 28 28 ALA CA C 13 52.712 . . . . . . . . 284 A CA . 52978 1 108 . 1 . 1 28 28 ALA CB C 13 19.122 . . . . . . . . 284 A CB . 52978 1 109 . 1 . 1 28 28 ALA N N 15 122.838 . . . . . . . . 284 A N . 52978 1 110 . 1 . 1 29 29 GLN H H 1 8.247 . . . . . . . . 285 Q HN . 52978 1 111 . 1 . 1 29 29 GLN C C 13 176.235 . . . . . . . . 285 Q CO . 52978 1 112 . 1 . 1 29 29 GLN CA C 13 55.976 . . . . . . . . 285 Q CA . 52978 1 113 . 1 . 1 29 29 GLN CB C 13 29.43 . . . . . . . . 285 Q CB . 52978 1 114 . 1 . 1 29 29 GLN N N 15 119.085 . . . . . . . . 285 Q N . 52978 1 115 . 1 . 1 30 30 SER H H 1 8.292 . . . . . . . . 286 S HN . 52978 1 116 . 1 . 1 30 30 SER C C 13 174.846 . . . . . . . . 286 S CO . 52978 1 117 . 1 . 1 30 30 SER CA C 13 58.496 . . . . . . . . 286 S CA . 52978 1 118 . 1 . 1 30 30 SER CB C 13 63.819 . . . . . . . . 286 S CB . 52978 1 119 . 1 . 1 30 30 SER N N 15 116.596 . . . . . . . . 286 S N . 52978 1 120 . 1 . 1 31 31 SER H H 1 8.401 . . . . . . . . 287 S HN . 52978 1 121 . 1 . 1 31 31 SER CA C 13 58.475 . . . . . . . . 287 S CA . 52978 1 122 . 1 . 1 31 31 SER CB C 13 63.74 . . . . . . . . 287 S CB . 52978 1 123 . 1 . 1 31 31 SER N N 15 117.912 . . . . . . . . 287 S N . 52978 1 124 . 1 . 1 32 32 THR H H 1 8.129 . . . . . . . . 288 T HN . 52978 1 125 . 1 . 1 32 32 THR C C 13 174.035 . . . . . . . . 288 T CO . 52978 1 126 . 1 . 1 32 32 THR CA C 13 61.634 . . . . . . . . 288 T CA . 52978 1 127 . 1 . 1 32 32 THR CB C 13 69.711 . . . . . . . . 288 T CB . 52978 1 128 . 1 . 1 32 32 THR N N 15 115.305 . . . . . . . . 288 T N . 52978 1 129 . 1 . 1 33 33 ALA H H 1 8.149 . . . . . . . . 289 A HN . 52978 1 130 . 1 . 1 33 33 ALA C C 13 175.376 . . . . . . . . 289 A CO . 52978 1 131 . 1 . 1 33 33 ALA CA C 13 50.702 . . . . . . . . 289 A CA . 52978 1 132 . 1 . 1 33 33 ALA CB C 13 18.128 . . . . . . . . 289 A CB . 52978 1 133 . 1 . 1 33 33 ALA N N 15 127.874 . . . . . . . . 289 A N . 52978 1 134 . 1 . 1 38 38 ASP H H 1 8.536 . . . . . . . . 294 D HN . 52978 1 135 . 1 . 1 38 38 ASP C C 13 176.605 . . . . . . . . 294 D CO . 52978 1 136 . 1 . 1 38 38 ASP CA C 13 54.343 . . . . . . . . 294 D CA . 52978 1 137 . 1 . 1 38 38 ASP CB C 13 41.261 . . . . . . . . 294 D CB . 52978 1 138 . 1 . 1 38 38 ASP N N 15 123.128 . . . . . . . . 294 D N . 52978 1 139 . 1 . 1 39 39 THR H H 1 8.171 . . . . . . . . 295 T HN . 52978 1 140 . 1 . 1 39 39 THR C C 13 174.969 . . . . . . . . 295 T CO . 52978 1 141 . 1 . 1 39 39 THR CA C 13 62.303 . . . . . . . . 295 T CA . 52978 1 142 . 1 . 1 39 39 THR CB C 13 69.631 . . . . . . . . 295 T CB . 52978 1 143 . 1 . 1 39 39 THR N N 15 114.835 . . . . . . . . 295 T N . 52978 1 144 . 1 . 1 40 40 LYS H H 1 8.326 . . . . . . . . 296 K HN . 52978 1 145 . 1 . 1 40 40 LYS C C 13 176.792 . . . . . . . . 296 K CO . 52978 1 146 . 1 . 1 40 40 LYS CA C 13 56.625 . . . . . . . . 296 K CA . 52978 1 147 . 1 . 1 40 40 LYS CB C 13 32.666 . . . . . . . . 296 K CB . 52978 1 148 . 1 . 1 40 40 LYS N N 15 123.557 . . . . . . . . 296 K N . 52978 1 149 . 1 . 1 41 41 LYS H H 1 8.239 . . . . . . . . 297 K HN . 52978 1 150 . 1 . 1 41 41 LYS C C 13 176.44 . . . . . . . . 297 K CO . 52978 1 151 . 1 . 1 41 41 LYS CA C 13 56.572 . . . . . . . . 297 K CA . 52978 1 152 . 1 . 1 41 41 LYS CB C 13 32.98 . . . . . . . . 297 K CB . 52978 1 153 . 1 . 1 41 41 LYS N N 15 121.924 . . . . . . . . 297 K N . 52978 1 154 . 1 . 1 42 42 ASN H H 1 8.465 . . . . . . . . 298 N HN . 52978 1 155 . 1 . 1 42 42 ASN C C 13 175.532 . . . . . . . . 298 N CO . 52978 1 156 . 1 . 1 42 42 ASN CA C 13 53.296 . . . . . . . . 298 N CA . 52978 1 157 . 1 . 1 42 42 ASN CB C 13 38.741 . . . . . . . . 298 N CB . 52978 1 158 . 1 . 1 42 42 ASN N N 15 119.904 . . . . . . . . 298 N N . 52978 1 159 . 1 . 1 43 43 THR H H 1 8.133 . . . . . . . . 299 T HN . 52978 1 160 . 1 . 1 43 43 THR C C 13 174.625 . . . . . . . . 299 T CO . 52978 1 161 . 1 . 1 43 43 THR CA C 13 62.095 . . . . . . . . 299 T CA . 52978 1 162 . 1 . 1 43 43 THR CB C 13 69.648 . . . . . . . . 299 T CB . 52978 1 163 . 1 . 1 43 43 THR N N 15 114.922 . . . . . . . . 299 T N . 52978 1 164 . 1 . 1 44 44 LYS H H 1 8.291 . . . . . . . . 300 K HN . 52978 1 165 . 1 . 1 44 44 LYS C C 13 176.558 . . . . . . . . 300 K CO . 52978 1 166 . 1 . 1 44 44 LYS CA C 13 56.47 . . . . . . . . 300 K CA . 52978 1 167 . 1 . 1 44 44 LYS CB C 13 32.895 . . . . . . . . 300 K CB . 52978 1 168 . 1 . 1 44 44 LYS N N 15 123.739 . . . . . . . . 300 K N . 52978 1 169 . 1 . 1 45 45 LYS H H 1 8.275 . . . . . . . . 301 K HN . 52978 1 170 . 1 . 1 45 45 LYS C C 13 176.495 . . . . . . . . 301 K CO . 52978 1 171 . 1 . 1 45 45 LYS CA C 13 56.272 . . . . . . . . 301 K CA . 52978 1 172 . 1 . 1 45 45 LYS CB C 13 33.024 . . . . . . . . 301 K CB . 52978 1 173 . 1 . 1 45 45 LYS N N 15 122.908 . . . . . . . . 301 K N . 52978 1 174 . 1 . 1 46 46 ARG H H 1 8.361 . . . . . . . . 302 R HN . 52978 1 175 . 1 . 1 46 46 ARG C C 13 176.117 . . . . . . . . 302 R CO . 52978 1 176 . 1 . 1 46 46 ARG CA C 13 56.132 . . . . . . . . 302 R CA . 52978 1 177 . 1 . 1 46 46 ARG CB C 13 30.921 . . . . . . . . 302 R CB . 52978 1 178 . 1 . 1 46 46 ARG N N 15 122.692 . . . . . . . . 302 R N . 52978 1 179 . 1 . 1 49 49 PHE H H 1 8.402 . . . . . . . . 305 F HN . 52978 1 180 . 1 . 1 49 49 PHE C C 13 175.896 . . . . . . . . 305 F CO . 52978 1 181 . 1 . 1 49 49 PHE CA C 13 57.918 . . . . . . . . 305 F CA . 52978 1 182 . 1 . 1 49 49 PHE CB C 13 39.67 . . . . . . . . 305 F CB . 52978 1 183 . 1 . 1 49 49 PHE N N 15 122.401 . . . . . . . . 305 F N . 52978 1 184 . 1 . 1 50 50 THR H H 1 8.126 . . . . . . . . 306 T HN . 52978 1 185 . 1 . 1 50 50 THR C C 13 174.268 . . . . . . . . 306 T CO . 52978 1 186 . 1 . 1 50 50 THR CA C 13 61.931 . . . . . . . . 306 T CA . 52978 1 187 . 1 . 1 50 50 THR CB C 13 69.986 . . . . . . . . 306 T CB . 52978 1 188 . 1 . 1 50 50 THR N N 15 116.028 . . . . . . . . 306 T N . 52978 1 189 . 1 . 1 51 51 SER H H 1 8.281 . . . . . . . . 307 S HN . 52978 1 190 . 1 . 1 51 51 SER C C 13 174.693 . . . . . . . . 307 S CO . 52978 1 191 . 1 . 1 51 51 SER CA C 13 58.44 . . . . . . . . 307 S CA . 52978 1 192 . 1 . 1 51 51 SER CB C 13 63.765 . . . . . . . . 307 S CB . 52978 1 193 . 1 . 1 51 51 SER N N 15 118.284 . . . . . . . . 307 S N . 52978 1 194 . 1 . 1 52 52 LEU H H 1 8.339 . . . . . . . . 308 L HN . 52978 1 195 . 1 . 1 52 52 LEU C C 13 177.774 . . . . . . . . 308 L CO . 52978 1 196 . 1 . 1 52 52 LEU CA C 13 55.837 . . . . . . . . 308 L CA . 52978 1 197 . 1 . 1 52 52 LEU CB C 13 42.332 . . . . . . . . 308 L CB . 52978 1 198 . 1 . 1 52 52 LEU N N 15 124.33 . . . . . . . . 308 L N . 52978 1 199 . 1 . 1 53 53 THR H H 1 8.08 . . . . . . . . 309 T HN . 52978 1 200 . 1 . 1 53 53 THR C C 13 174.814 . . . . . . . . 309 T CO . 52978 1 201 . 1 . 1 53 53 THR CA C 13 62.223 . . . . . . . . 309 T CA . 52978 1 202 . 1 . 1 53 53 THR CB C 13 69.682 . . . . . . . . 309 T CB . 52978 1 203 . 1 . 1 53 53 THR N N 15 114.344 . . . . . . . . 309 T N . 52978 1 204 . 1 . 1 54 54 MET H H 1 8.251 . . . . . . . . 310 M HN . 52978 1 205 . 1 . 1 54 54 MET C C 13 176.139 . . . . . . . . 310 M CO . 52978 1 206 . 1 . 1 54 54 MET CA C 13 55.617 . . . . . . . . 310 M CA . 52978 1 207 . 1 . 1 54 54 MET CB C 13 32.723 . . . . . . . . 310 M CB . 52978 1 208 . 1 . 1 54 54 MET N N 15 122.359 . . . . . . . . 310 M N . 52978 1 209 . 1 . 1 55 55 ALA H H 1 8.219 . . . . . . . . 311 A HN . 52978 1 210 . 1 . 1 55 55 ALA C C 13 177.609 . . . . . . . . 311 A CO . 52978 1 211 . 1 . 1 55 55 ALA CA C 13 52.682 . . . . . . . . 311 A CA . 52978 1 212 . 1 . 1 55 55 ALA CB C 13 19.211 . . . . . . . . 311 A CB . 52978 1 213 . 1 . 1 55 55 ALA N N 15 124.682 . . . . . . . . 311 A N . 52978 1 214 . 1 . 1 56 56 ASN H H 1 8.31 . . . . . . . . 312 N HN . 52978 1 215 . 1 . 1 56 56 ASN C C 13 175.526 . . . . . . . . 312 N CO . 52978 1 216 . 1 . 1 56 56 ASN CA C 13 53.356 . . . . . . . . 312 N CA . 52978 1 217 . 1 . 1 56 56 ASN CB C 13 38.812 . . . . . . . . 312 N CB . 52978 1 218 . 1 . 1 56 56 ASN N N 15 117.635 . . . . . . . . 312 N N . 52978 1 219 . 1 . 1 57 57 LYS H H 1 8.266 . . . . . . . . 313 K HN . 52978 1 220 . 1 . 1 57 57 LYS C C 13 176.972 . . . . . . . . 313 K CO . 52978 1 221 . 1 . 1 57 57 LYS CA C 13 56.669 . . . . . . . . 313 K CA . 52978 1 222 . 1 . 1 57 57 LYS CB C 13 32.929 . . . . . . . . 313 K CB . 52978 1 223 . 1 . 1 57 57 LYS N N 15 121.759 . . . . . . . . 313 K N . 52978 1 224 . 1 . 1 58 58 SER H H 1 8.337 . . . . . . . . 314 S HN . 52978 1 225 . 1 . 1 58 58 SER C C 13 174.981 . . . . . . . . 314 S CO . 52978 1 226 . 1 . 1 58 58 SER CA C 13 58.645 . . . . . . . . 314 S CA . 52978 1 227 . 1 . 1 58 58 SER CB C 13 63.775 . . . . . . . . 314 S CB . 52978 1 228 . 1 . 1 58 58 SER N N 15 116.54 . . . . . . . . 314 S N . 52978 1 229 . 1 . 1 59 59 SER H H 1 8.348 . . . . . . . . 315 S HN . 52978 1 230 . 1 . 1 59 59 SER C C 13 174.903 . . . . . . . . 315 S CO . 52978 1 231 . 1 . 1 59 59 SER CA C 13 58.475 . . . . . . . . 315 S CA . 52978 1 232 . 1 . 1 59 59 SER CB C 13 63.803 . . . . . . . . 315 S CB . 52978 1 233 . 1 . 1 59 59 SER N N 15 117.877 . . . . . . . . 315 S N . 52978 1 234 . 1 . 1 60 60 GLN H H 1 8.342 . . . . . . . . 316 Q HN . 52978 1 235 . 1 . 1 60 60 GLN C C 13 176.174 . . . . . . . . 316 Q CO . 52978 1 236 . 1 . 1 60 60 GLN CA C 13 56.274 . . . . . . . . 316 Q CA . 52978 1 237 . 1 . 1 60 60 GLN CB C 13 29.294 . . . . . . . . 316 Q CB . 52978 1 238 . 1 . 1 60 60 GLN N N 15 121.961 . . . . . . . . 316 Q N . 52978 1 239 . 1 . 1 61 61 ALA H H 1 8.254 . . . . . . . . 317 A HN . 52978 1 240 . 1 . 1 61 61 ALA C C 13 178.227 . . . . . . . . 317 A CO . 52978 1 241 . 1 . 1 61 61 ALA CA C 13 53.057 . . . . . . . . 317 A CA . 52978 1 242 . 1 . 1 61 61 ALA CB C 13 19.074 . . . . . . . . 317 A CB . 52978 1 243 . 1 . 1 61 61 ALA N N 15 124.564 . . . . . . . . 317 A N . 52978 1 244 . 1 . 1 62 62 SER H H 1 8.221 . . . . . . . . 318 S HN . 52978 1 245 . 1 . 1 62 62 SER C C 13 174.971 . . . . . . . . 318 S CO . 52978 1 246 . 1 . 1 62 62 SER CA C 13 58.785 . . . . . . . . 318 S CA . 52978 1 247 . 1 . 1 62 62 SER CB C 13 63.658 . . . . . . . . 318 S CB . 52978 1 248 . 1 . 1 62 62 SER N N 15 114.594 . . . . . . . . 318 S N . 52978 1 249 . 1 . 1 63 63 GLN H H 1 8.302 . . . . . . . . 319 Q HN . 52978 1 250 . 1 . 1 63 63 GLN C C 13 175.848 . . . . . . . . 319 Q CO . 52978 1 251 . 1 . 1 63 63 GLN CA C 13 56.249 . . . . . . . . 319 Q CA . 52978 1 252 . 1 . 1 63 63 GLN CB C 13 29.292 . . . . . . . . 319 Q CB . 52978 1 253 . 1 . 1 63 63 GLN N N 15 121.613 . . . . . . . . 319 Q N . 52978 1 254 . 1 . 1 64 64 ASN H H 1 8.344 . . . . . . . . 320 N HN . 52978 1 255 . 1 . 1 64 64 ASN C C 13 175.281 . . . . . . . . 320 N CO . 52978 1 256 . 1 . 1 64 64 ASN CA C 13 53.317 . . . . . . . . 320 N CA . 52978 1 257 . 1 . 1 64 64 ASN CB C 13 38.773 . . . . . . . . 320 N CB . 52978 1 258 . 1 . 1 64 64 ASN N N 15 119.322 . . . . . . . . 320 N N . 52978 1 259 . 1 . 1 65 65 ARG H H 1 8.257 . . . . . . . . 321 R HN . 52978 1 260 . 1 . 1 65 65 ARG C C 13 176.328 . . . . . . . . 321 R CO . 52978 1 261 . 1 . 1 65 65 ARG CA C 13 56.529 . . . . . . . . 321 R CA . 52978 1 262 . 1 . 1 65 65 ARG CB C 13 30.582 . . . . . . . . 321 R CB . 52978 1 263 . 1 . 1 65 65 ARG N N 15 121.373 . . . . . . . . 321 R N . 52978 1 264 . 1 . 1 66 66 HIS H H 1 8.473 . . . . . . . . 322 H HN . 52978 1 265 . 1 . 1 66 66 HIS C C 13 174.955 . . . . . . . . 322 H CO . 52978 1 266 . 1 . 1 66 66 HIS N N 15 119.51 . . . . . . . . 322 H N . 52978 1 267 . 1 . 1 67 67 SER H H 1 8.284 . . . . . . . . 323 S HN . 52978 1 268 . 1 . 1 67 67 SER CA C 13 58.419 . . . . . . . . 323 S CA . 52978 1 269 . 1 . 1 67 67 SER CB C 13 63.83 . . . . . . . . 323 S CB . 52978 1 270 . 1 . 1 67 67 SER N N 15 116.76 . . . . . . . . 323 S N . 52978 1 271 . 1 . 1 68 68 MET H H 1 8.416 . . . . . . . . 324 M HN . 52978 1 272 . 1 . 1 68 68 MET N N 15 122.208 . . . . . . . . 324 M N . 52978 1 273 . 1 . 1 69 69 GLU H H 1 8.312 . . . . . . . . 325 E HN . 52978 1 274 . 1 . 1 69 69 GLU C C 13 176.2 . . . . . . . . 325 E CO . 52978 1 275 . 1 . 1 69 69 GLU CA C 13 56.485 . . . . . . . . 325 E CA . 52978 1 276 . 1 . 1 69 69 GLU CB C 13 30.264 . . . . . . . . 325 E CB . 52978 1 277 . 1 . 1 69 69 GLU N N 15 121.959 . . . . . . . . 325 E N . 52978 1 278 . 1 . 1 70 70 ILE H H 1 8.162 . . . . . . . . 326 I HN . 52978 1 279 . 1 . 1 70 70 ILE C C 13 176.101 . . . . . . . . 326 I CO . 52978 1 280 . 1 . 1 70 70 ILE CA C 13 60.891 . . . . . . . . 326 I CA . 52978 1 281 . 1 . 1 70 70 ILE CB C 13 38.856 . . . . . . . . 326 I CB . 52978 1 282 . 1 . 1 70 70 ILE N N 15 121.934 . . . . . . . . 326 I N . 52978 1 283 . 1 . 1 71 71 SER H H 1 8.391 . . . . . . . . 327 S HN . 52978 1 284 . 1 . 1 71 71 SER C C 13 171.809 . . . . . . . . 327 S CO . 52978 1 285 . 1 . 1 71 71 SER CB C 13 63.232 . . . . . . . . 327 S CB . 52978 1 286 . 1 . 1 71 71 SER N N 15 121.645 . . . . . . . . 327 S N . 52978 1 287 . 1 . 1 74 74 VAL H H 1 8.172 . . . . . . . . 330 V HN . 52978 1 288 . 1 . 1 74 74 VAL C C 13 175.952 . . . . . . . . 330 V CO . 52978 1 289 . 1 . 1 74 74 VAL CA C 13 62.277 . . . . . . . . 330 V CA . 52978 1 290 . 1 . 1 74 74 VAL CB C 13 32.757 . . . . . . . . 330 V CB . 52978 1 291 . 1 . 1 74 74 VAL N N 15 120.63 . . . . . . . . 330 V N . 52978 1 292 . 1 . 1 75 75 LEU H H 1 8.323 . . . . . . . . 331 L HN . 52978 1 293 . 1 . 1 75 75 LEU C C 13 176.979 . . . . . . . . 331 L CO . 52978 1 294 . 1 . 1 75 75 LEU CA C 13 54.877 . . . . . . . . 331 L CA . 52978 1 295 . 1 . 1 75 75 LEU CB C 13 42.461 . . . . . . . . 331 L CB . 52978 1 296 . 1 . 1 75 75 LEU N N 15 126.735 . . . . . . . . 331 L N . 52978 1 297 . 1 . 1 76 76 ILE H H 1 8.206 . . . . . . . . 332 I HN . 52978 1 298 . 1 . 1 76 76 ILE C C 13 176.212 . . . . . . . . 332 I CO . 52978 1 299 . 1 . 1 76 76 ILE CA C 13 60.828 . . . . . . . . 332 I CA . 52978 1 300 . 1 . 1 76 76 ILE CB C 13 38.712 . . . . . . . . 332 I CB . 52978 1 301 . 1 . 1 76 76 ILE N N 15 122.889 . . . . . . . . 332 I N . 52978 1 302 . 1 . 1 77 77 SER H H 1 8.397 . . . . . . . . 333 S HN . 52978 1 303 . 1 . 1 77 77 SER C C 13 174.657 . . . . . . . . 333 S CO . 52978 1 304 . 1 . 1 77 77 SER CA C 13 58.142 . . . . . . . . 333 S CA . 52978 1 305 . 1 . 1 77 77 SER CB C 13 63.906 . . . . . . . . 333 S CB . 52978 1 306 . 1 . 1 77 77 SER N N 15 120.072 . . . . . . . . 333 S N . 52978 1 307 . 1 . 1 78 78 SER H H 1 8.381 . . . . . . . . 334 S HN . 52978 1 308 . 1 . 1 78 78 SER C C 13 174.551 . . . . . . . . 334 S CO . 52978 1 309 . 1 . 1 78 78 SER CA C 13 58.461 . . . . . . . . 334 S CA . 52978 1 310 . 1 . 1 78 78 SER CB C 13 63.899 . . . . . . . . 334 S CB . 52978 1 311 . 1 . 1 78 78 SER N N 15 118.103 . . . . . . . . 334 S N . 52978 1 312 . 1 . 1 79 79 SER H H 1 8.299 . . . . . . . . 335 S HN . 52978 1 313 . 1 . 1 79 79 SER C C 13 173.839 . . . . . . . . 335 S CO . 52978 1 314 . 1 . 1 79 79 SER CA C 13 58.379 . . . . . . . . 335 S CA . 52978 1 315 . 1 . 1 79 79 SER CB C 13 63.806 . . . . . . . . 335 S CB . 52978 1 316 . 1 . 1 79 79 SER N N 15 117.37 . . . . . . . . 335 S N . 52978 1 317 . 1 . 1 80 80 ASN H H 1 8.333 . . . . . . . . 336 N HN . 52978 1 318 . 1 . 1 80 80 ASN C C 13 173.416 . . . . . . . . 336 N CO . 52978 1 319 . 1 . 1 80 80 ASN CA C 13 51.416 . . . . . . . . 336 N CA . 52978 1 320 . 1 . 1 80 80 ASN CB C 13 38.899 . . . . . . . . 336 N CB . 52978 1 321 . 1 . 1 80 80 ASN N N 15 121.152 . . . . . . . . 336 N N . 52978 1 322 . 1 . 1 82 82 THR H H 1 8.134 . . . . . . . . 338 T HN . 52978 1 323 . 1 . 1 82 82 THR C C 13 174.71 . . . . . . . . 338 T CO . 52978 1 324 . 1 . 1 82 82 THR CA C 13 62.216 . . . . . . . . 338 T CA . 52978 1 325 . 1 . 1 82 82 THR CB C 13 69.794 . . . . . . . . 338 T CB . 52978 1 326 . 1 . 1 82 82 THR N N 15 113.457 . . . . . . . . 338 T N . 52978 1 327 . 1 . 1 83 83 ALA H H 1 8.092 . . . . . . . . 339 A HN . 52978 1 328 . 1 . 1 83 83 ALA C C 13 177.827 . . . . . . . . 339 A CO . 52978 1 329 . 1 . 1 83 83 ALA CA C 13 52.975 . . . . . . . . 339 A CA . 52978 1 330 . 1 . 1 83 83 ALA CB C 13 19.102 . . . . . . . . 339 A CB . 52978 1 331 . 1 . 1 83 83 ALA N N 15 125.977 . . . . . . . . 339 A N . 52978 1 332 . 1 . 1 84 84 ALA H H 1 8.151 . . . . . . . . 340 A HN . 52978 1 333 . 1 . 1 84 84 ALA CA C 13 52.75 . . . . . . . . 340 A CA . 52978 1 334 . 1 . 1 84 84 ALA CB C 13 19.074 . . . . . . . . 340 A CB . 52978 1 335 . 1 . 1 84 84 ALA N N 15 122.623 . . . . . . . . 340 A N . 52978 1 336 . 1 . 1 86 86 ARG H H 1 8.158 . . . . . . . . 342 R HN . 52978 1 337 . 1 . 1 86 86 ARG C C 13 176.704 . . . . . . . . 342 R CO . 52978 1 338 . 1 . 1 86 86 ARG CA C 13 56.312 . . . . . . . . 342 R CA . 52978 1 339 . 1 . 1 86 86 ARG CB C 13 30.659 . . . . . . . . 342 R CB . 52978 1 340 . 1 . 1 86 86 ARG N N 15 120.011 . . . . . . . . 342 R N . 52978 1 341 . 1 . 1 87 87 ILE H H 1 8.124 . . . . . . . . 343 I HN . 52978 1 342 . 1 . 1 87 87 ILE C C 13 176.77 . . . . . . . . 343 I CO . 52978 1 343 . 1 . 1 87 87 ILE CA C 13 61.772 . . . . . . . . 343 I CA . 52978 1 344 . 1 . 1 87 87 ILE CB C 13 38.526 . . . . . . . . 343 I CB . 52978 1 345 . 1 . 1 87 87 ILE N N 15 121.698 . . . . . . . . 343 I N . 52978 1 346 . 1 . 1 88 88 SER H H 1 8.31 . . . . . . . . 344 S HN . 52978 1 347 . 1 . 1 88 88 SER C C 13 174.996 . . . . . . . . 344 S CO . 52978 1 348 . 1 . 1 88 88 SER CA C 13 58.9 . . . . . . . . 344 S CA . 52978 1 349 . 1 . 1 88 88 SER CB C 13 63.706 . . . . . . . . 344 S CB . 52978 1 350 . 1 . 1 88 88 SER N N 15 118.919 . . . . . . . . 344 S N . 52978 1 351 . 1 . 1 89 89 GLU H H 1 8.423 . . . . . . . . 345 E HN . 52978 1 352 . 1 . 1 89 89 GLU C C 13 176.907 . . . . . . . . 345 E CO . 52978 1 353 . 1 . 1 89 89 GLU CA C 13 57.115 . . . . . . . . 345 E CA . 52978 1 354 . 1 . 1 89 89 GLU CB C 13 29.98 . . . . . . . . 345 E CB . 52978 1 355 . 1 . 1 89 89 GLU N N 15 123.026 . . . . . . . . 345 E N . 52978 1 356 . 1 . 1 90 90 LEU H H 1 8.161 . . . . . . . . 346 L HN . 52978 1 357 . 1 . 1 90 90 LEU C C 13 177.779 . . . . . . . . 346 L CO . 52978 1 358 . 1 . 1 90 90 LEU CA C 13 55.505 . . . . . . . . 346 L CA . 52978 1 359 . 1 . 1 90 90 LEU CB C 13 42.186 . . . . . . . . 346 L CB . 52978 1 360 . 1 . 1 90 90 LEU N N 15 121.807 . . . . . . . . 346 L N . 52978 1 361 . 1 . 1 91 91 SER H H 1 8.171 . . . . . . . . 347 S HN . 52978 1 362 . 1 . 1 91 91 SER C C 13 175.209 . . . . . . . . 347 S CO . 52978 1 363 . 1 . 1 91 91 SER CA C 13 58.914 . . . . . . . . 347 S CA . 52978 1 364 . 1 . 1 91 91 SER CB C 13 63.872 . . . . . . . . 347 S CB . 52978 1 365 . 1 . 1 91 91 SER N N 15 115.815 . . . . . . . . 347 S N . 52978 1 366 . 1 . 1 92 92 GLY H H 1 8.334 . . . . . . . . 348 G HN . 52978 1 367 . 1 . 1 92 92 GLY C C 13 174.318 . . . . . . . . 348 G CO . 52978 1 368 . 1 . 1 92 92 GLY CA C 13 45.546 . . . . . . . . 348 G CA . 52978 1 369 . 1 . 1 92 92 GLY N N 15 110.484 . . . . . . . . 348 G N . 52978 1 370 . 1 . 1 93 93 LEU H H 1 8.009 . . . . . . . . 349 L HN . 52978 1 371 . 1 . 1 93 93 LEU C C 13 177.692 . . . . . . . . 349 L CO . 52978 1 372 . 1 . 1 93 93 LEU CA C 13 55.277 . . . . . . . . 349 L CA . 52978 1 373 . 1 . 1 93 93 LEU CB C 13 42.533 . . . . . . . . 349 L CB . 52978 1 374 . 1 . 1 93 93 LEU N N 15 121.282 . . . . . . . . 349 L N . 52978 1 375 . 1 . 1 94 94 SER H H 1 8.324 . . . . . . . . 350 S HN . 52978 1 376 . 1 . 1 94 94 SER C C 13 174.585 . . . . . . . . 350 S CO . 52978 1 377 . 1 . 1 94 94 SER CA C 13 58.537 . . . . . . . . 350 S CA . 52978 1 378 . 1 . 1 94 94 SER CB C 13 63.731 . . . . . . . . 350 S CB . 52978 1 379 . 1 . 1 94 94 SER N N 15 116.204 . . . . . . . . 350 S N . 52978 1 380 . 1 . 1 95 95 CYS H H 1 8.328 . . . . . . . . 351 C HN . 52978 1 381 . 1 . 1 95 95 CYS C C 13 174.444 . . . . . . . . 351 C CO . 52978 1 382 . 1 . 1 95 95 CYS CA C 13 58.378 . . . . . . . . 351 C CA . 52978 1 383 . 1 . 1 95 95 CYS CB C 13 28.205 . . . . . . . . 351 C CB . 52978 1 384 . 1 . 1 95 95 CYS N N 15 120.748 . . . . . . . . 351 C N . 52978 1 385 . 1 . 1 96 96 SER H H 1 8.346 . . . . . . . . 352 S HN . 52978 1 386 . 1 . 1 96 96 SER C C 13 173.676 . . . . . . . . 352 S CO . 52978 1 387 . 1 . 1 96 96 SER CA C 13 58.212 . . . . . . . . 352 S CA . 52978 1 388 . 1 . 1 96 96 SER CB C 13 63.929 . . . . . . . . 352 S CB . 52978 1 389 . 1 . 1 96 96 SER N N 15 118.128 . . . . . . . . 352 S N . 52978 1 390 . 1 . 1 97 97 ALA H H 1 8.237 . . . . . . . . 353 A HN . 52978 1 391 . 1 . 1 97 97 ALA C C 13 175.503 . . . . . . . . 353 A CO . 52978 1 392 . 1 . 1 97 97 ALA CA C 13 50.723 . . . . . . . . 353 A CA . 52978 1 393 . 1 . 1 97 97 ALA CB C 13 18.32 . . . . . . . . 353 A CB . 52978 1 394 . 1 . 1 97 97 ALA N N 15 126.977 . . . . . . . . 353 A N . 52978 1 395 . 1 . 1 99 99 SER H H 1 8.346 . . . . . . . . 355 S HN . 52978 1 396 . 1 . 1 99 99 SER C C 13 174.701 . . . . . . . . 355 S CO . 52978 1 397 . 1 . 1 99 99 SER CA C 13 58.465 . . . . . . . . 355 S CA . 52978 1 398 . 1 . 1 99 99 SER CB C 13 63.757 . . . . . . . . 355 S CB . 52978 1 399 . 1 . 1 99 99 SER N N 15 115.46 . . . . . . . . 355 S N . 52978 1 400 . 1 . 1 100 100 GLN H H 1 8.376 . . . . . . . . 356 Q HN . 52978 1 401 . 1 . 1 100 100 GLN C C 13 175.719 . . . . . . . . 356 Q CO . 52978 1 402 . 1 . 1 100 100 GLN CA C 13 55.768 . . . . . . . . 356 Q CA . 52978 1 403 . 1 . 1 100 100 GLN CB C 13 29.568 . . . . . . . . 356 Q CB . 52978 1 404 . 1 . 1 100 100 GLN N N 15 122.076 . . . . . . . . 356 Q N . 52978 1 405 . 1 . 1 101 101 VAL H H 1 8.038 . . . . . . . . 357 V HN . 52978 1 406 . 1 . 1 101 101 VAL CA C 13 62.437 . . . . . . . . 357 V CA . 52978 1 407 . 1 . 1 101 101 VAL CB C 13 32.786 . . . . . . . . 357 V CB . 52978 1 408 . 1 . 1 101 101 VAL N N 15 120.796 . . . . . . . . 357 V N . 52978 1 409 . 1 . 1 102 102 HIS H H 1 8.559 . . . . . . . . 358 H HN . 52978 1 410 . 1 . 1 102 102 HIS C C 13 174.336 . . . . . . . . 358 H CO . 52978 1 411 . 1 . 1 102 102 HIS CA C 13 55.329 . . . . . . . . 358 H CA . 52978 1 412 . 1 . 1 102 102 HIS CB C 13 29.663 . . . . . . . . 358 H CB . 52978 1 413 . 1 . 1 102 102 HIS N N 15 123.203 . . . . . . . . 358 H N . 52978 1 414 . 1 . 1 103 103 ILE H H 1 8.232 . . . . . . . . 359 I HN . 52978 1 415 . 1 . 1 103 103 ILE C C 13 176.077 . . . . . . . . 359 I CO . 52978 1 416 . 1 . 1 103 103 ILE CA C 13 60.896 . . . . . . . . 359 I CA . 52978 1 417 . 1 . 1 103 103 ILE CB C 13 38.972 . . . . . . . . 359 I CB . 52978 1 418 . 1 . 1 103 103 ILE N N 15 123.471 . . . . . . . . 359 I N . 52978 1 419 . 1 . 1 104 104 SER H H 1 8.542 . . . . . . . . 360 S HN . 52978 1 420 . 1 . 1 104 104 SER C C 13 175.127 . . . . . . . . 360 S CO . 52978 1 421 . 1 . 1 104 104 SER CA C 13 58.122 . . . . . . . . 360 S CA . 52978 1 422 . 1 . 1 104 104 SER CB C 13 63.99 . . . . . . . . 360 S CB . 52978 1 423 . 1 . 1 104 104 SER N N 15 120.333 . . . . . . . . 360 S N . 52978 1 424 . 1 . 1 105 105 THR H H 1 8.362 . . . . . . . . 361 T HN . 52978 1 425 . 1 . 1 105 105 THR C C 13 175.036 . . . . . . . . 361 T CO . 52978 1 426 . 1 . 1 105 105 THR CA C 13 62.132 . . . . . . . . 361 T CA . 52978 1 427 . 1 . 1 105 105 THR CB C 13 69.511 . . . . . . . . 361 T CB . 52978 1 428 . 1 . 1 105 105 THR N N 15 116.055 . . . . . . . . 361 T N . 52978 1 429 . 1 . 1 106 106 THR H H 1 8.092 . . . . . . . . 362 T HN . 52978 1 430 . 1 . 1 106 106 THR CA C 13 62.145 . . . . . . . . 362 T CA . 52978 1 431 . 1 . 1 106 106 THR CB C 13 69.707 . . . . . . . . 362 T CB . 52978 1 432 . 1 . 1 106 106 THR N N 15 115.189 . . . . . . . . 362 T N . 52978 1 433 . 1 . 1 107 107 GLY H H 1 8.34 . . . . . . . . 363 G HN . 52978 1 434 . 1 . 1 107 107 GLY C C 13 173.701 . . . . . . . . 363 G CO . 52978 1 435 . 1 . 1 107 107 GLY CA C 13 45.261 . . . . . . . . 363 G CA . 52978 1 436 . 1 . 1 107 107 GLY N N 15 111.185 . . . . . . . . 363 G N . 52978 1 437 . 1 . 1 108 108 LEU H H 1 7.966 . . . . . . . . 364 L HN . 52978 1 438 . 1 . 1 108 108 LEU C C 13 176.984 . . . . . . . . 364 L CO . 52978 1 439 . 1 . 1 108 108 LEU CA C 13 55.127 . . . . . . . . 364 L CA . 52978 1 440 . 1 . 1 108 108 LEU CB C 13 42.555 . . . . . . . . 364 L CB . 52978 1 441 . 1 . 1 108 108 LEU N N 15 121.646 . . . . . . . . 364 L N . 52978 1 442 . 1 . 1 109 109 ILE H H 1 8.216 . . . . . . . . 365 I HN . 52978 1 443 . 1 . 1 109 109 ILE C C 13 176.106 . . . . . . . . 365 I CO . 52978 1 444 . 1 . 1 109 109 ILE CA C 13 60.877 . . . . . . . . 365 I CA . 52978 1 445 . 1 . 1 109 109 ILE CB C 13 38.6 . . . . . . . . 365 I CB . 52978 1 446 . 1 . 1 109 109 ILE N N 15 123.152 . . . . . . . . 365 I N . 52978 1 447 . 1 . 1 110 110 VAL H H 1 8.319 . . . . . . . . 366 V HN . 52978 1 448 . 1 . 1 110 110 VAL C C 13 175.922 . . . . . . . . 366 V CO . 52978 1 449 . 1 . 1 110 110 VAL CA C 13 61.952 . . . . . . . . 366 V CA . 52978 1 450 . 1 . 1 110 110 VAL CB C 13 32.987 . . . . . . . . 366 V CB . 52978 1 451 . 1 . 1 110 110 VAL N N 15 125.853 . . . . . . . . 366 V N . 52978 1 452 . 1 . 1 111 111 THR H H 1 8.324 . . . . . . . . 367 T HN . 52978 1 453 . 1 . 1 111 111 THR C C 13 172.186 . . . . . . . . 367 T CO . 52978 1 454 . 1 . 1 111 111 THR CA C 13 59.742 . . . . . . . . 367 T CA . 52978 1 455 . 1 . 1 111 111 THR CB C 13 69.725 . . . . . . . . 367 T CB . 52978 1 456 . 1 . 1 111 111 THR N N 15 121.964 . . . . . . . . 367 T N . 52978 1 457 . 1 . 1 115 115 SER H H 1 8.362 . . . . . . . . 371 S HN . 52978 1 458 . 1 . 1 115 115 SER C C 13 174.25 . . . . . . . . 371 S CO . 52978 1 459 . 1 . 1 115 115 SER CA C 13 58.183 . . . . . . . . 371 S CA . 52978 1 460 . 1 . 1 115 115 SER CB C 13 63.826 . . . . . . . . 371 S CB . 52978 1 461 . 1 . 1 115 115 SER N N 15 115.943 . . . . . . . . 371 S N . 52978 1 462 . 1 . 1 116 116 SER H H 1 8.26 . . . . . . . . 372 S HN . 52978 1 463 . 1 . 1 116 116 SER C C 13 172.591 . . . . . . . . 372 S CO . 52978 1 464 . 1 . 1 116 116 SER CA C 13 56.413 . . . . . . . . 372 S CA . 52978 1 465 . 1 . 1 116 116 SER CB C 13 63.493 . . . . . . . . 372 S CB . 52978 1 466 . 1 . 1 116 116 SER N N 15 118.606 . . . . . . . . 372 S N . 52978 1 467 . 1 . 1 118 118 VAL H H 1 8.243 . . . . . . . . 374 V HN . 52978 1 468 . 1 . 1 118 118 VAL C C 13 176.607 . . . . . . . . 374 V CO . 52978 1 469 . 1 . 1 118 118 VAL CA C 13 62.431 . . . . . . . . 374 V CA . 52978 1 470 . 1 . 1 118 118 VAL CB C 13 32.73 . . . . . . . . 374 V CB . 52978 1 471 . 1 . 1 118 118 VAL N N 15 120.309 . . . . . . . . 374 V N . 52978 1 472 . 1 . 1 119 119 THR H H 1 8.253 . . . . . . . . 375 T HN . 52978 1 473 . 1 . 1 119 119 THR C C 13 174.501 . . . . . . . . 375 T CO . 52978 1 474 . 1 . 1 119 119 THR CA C 13 61.488 . . . . . . . . 375 T CA . 52978 1 475 . 1 . 1 119 119 THR CB C 13 69.822 . . . . . . . . 375 T CB . 52978 1 476 . 1 . 1 119 119 THR N N 15 117.716 . . . . . . . . 375 T N . 52978 1 477 . 1 . 1 120 120 THR H H 1 8.078 . . . . . . . . 376 T HN . 52978 1 478 . 1 . 1 120 120 THR CA C 13 61.501 . . . . . . . . 376 T CA . 52978 1 479 . 1 . 1 120 120 THR CB C 13 70.033 . . . . . . . . 376 T CB . 52978 1 480 . 1 . 1 120 120 THR N N 15 115.637 . . . . . . . . 376 T N . 52978 1 481 . 1 . 1 121 121 GLY H H 1 8.238 . . . . . . . . 377 G HN . 52978 1 482 . 1 . 1 121 121 GLY C C 13 171.775 . . . . . . . . 377 G CO . 52978 1 483 . 1 . 1 121 121 GLY N N 15 111.213 . . . . . . . . 377 G N . 52978 1 484 . 1 . 1 123 123 SER H H 1 8.341 . . . . . . . . 379 S HN . 52978 1 485 . 1 . 1 123 123 SER C C 13 173.996 . . . . . . . . 379 S CO . 52978 1 486 . 1 . 1 123 123 SER CA C 13 58.361 . . . . . . . . 379 S CA . 52978 1 487 . 1 . 1 123 123 SER CB C 13 63.788 . . . . . . . . 379 S CB . 52978 1 488 . 1 . 1 123 123 SER N N 15 115.637 . . . . . . . . 379 S N . 52978 1 489 . 1 . 1 124 124 PHE H H 1 8.122 . . . . . . . . 380 F HN . 52978 1 490 . 1 . 1 124 124 PHE C C 13 175.278 . . . . . . . . 380 F CO . 52978 1 491 . 1 . 1 124 124 PHE CA C 13 57.64 . . . . . . . . 380 F CA . 52978 1 492 . 1 . 1 124 124 PHE CB C 13 39.881 . . . . . . . . 380 F CB . 52978 1 493 . 1 . 1 124 124 PHE N N 15 121.928 . . . . . . . . 380 F N . 52978 1 494 . 1 . 1 125 125 THR H H 1 7.876 . . . . . . . . 381 T HN . 52978 1 495 . 1 . 1 125 125 THR C C 13 173.314 . . . . . . . . 381 T CO . 52978 1 496 . 1 . 1 125 125 THR CA C 13 61.375 . . . . . . . . 381 T CA . 52978 1 497 . 1 . 1 125 125 THR CB C 13 70.116 . . . . . . . . 381 T CB . 52978 1 498 . 1 . 1 125 125 THR N N 15 116.349 . . . . . . . . 381 T N . 52978 1 499 . 1 . 1 126 126 PHE H H 1 8.266 . . . . . . . . 382 F HN . 52978 1 500 . 1 . 1 126 126 PHE C C 13 174.043 . . . . . . . . 382 F CO . 52978 1 501 . 1 . 1 126 126 PHE CA C 13 55.7 . . . . . . . . 382 F CA . 52978 1 502 . 1 . 1 126 126 PHE CB C 13 39.016 . . . . . . . . 382 F CB . 52978 1 503 . 1 . 1 126 126 PHE N N 15 123.749 . . . . . . . . 382 F N . 52978 1 504 . 1 . 1 128 128 SER H H 1 8.314 . . . . . . . . 384 S HN . 52978 1 505 . 1 . 1 128 128 SER C C 13 174.342 . . . . . . . . 384 S CO . 52978 1 506 . 1 . 1 128 128 SER CA C 13 58.544 . . . . . . . . 384 S CA . 52978 1 507 . 1 . 1 128 128 SER CB C 13 63.876 . . . . . . . . 384 S CB . 52978 1 508 . 1 . 1 128 128 SER N N 15 115.337 . . . . . . . . 384 S N . 52978 1 509 . 1 . 1 129 129 ASP H H 1 8.4 . . . . . . . . 385 D HN . 52978 1 510 . 1 . 1 129 129 ASP C C 13 175.765 . . . . . . . . 385 D CO . 52978 1 511 . 1 . 1 129 129 ASP CA C 13 54.324 . . . . . . . . 385 D CA . 52978 1 512 . 1 . 1 129 129 ASP CB C 13 40.997 . . . . . . . . 385 D CB . 52978 1 513 . 1 . 1 129 129 ASP N N 15 121.877 . . . . . . . . 385 D N . 52978 1 514 . 1 . 1 130 130 VAL H H 1 7.913 . . . . . . . . 386 V HN . 52978 1 515 . 1 . 1 130 130 VAL C C 13 174.505 . . . . . . . . 386 V CO . 52978 1 516 . 1 . 1 130 130 VAL CA C 13 60.093 . . . . . . . . 386 V CA . 52978 1 517 . 1 . 1 130 130 VAL CB C 13 32.663 . . . . . . . . 386 V CB . 52978 1 518 . 1 . 1 130 130 VAL N N 15 120.805 . . . . . . . . 386 V N . 52978 1 519 . 1 . 1 132 132 TYR H H 1 8.133 . . . . . . . . 388 Y HN . 52978 1 520 . 1 . 1 132 132 TYR C C 13 175.671 . . . . . . . . 388 Y CO . 52978 1 521 . 1 . 1 132 132 TYR CA C 13 58.347 . . . . . . . . 388 Y CA . 52978 1 522 . 1 . 1 132 132 TYR CB C 13 38.673 . . . . . . . . 388 Y CB . 52978 1 523 . 1 . 1 132 132 TYR N N 15 120.71 . . . . . . . . 388 Y N . 52978 1 524 . 1 . 1 133 133 GLN H H 1 8.056 . . . . . . . . 389 Q HN . 52978 1 525 . 1 . 1 133 133 GLN C C 13 175.2 . . . . . . . . 389 Q CO . 52978 1 526 . 1 . 1 133 133 GLN CA C 13 55.611 . . . . . . . . 389 Q CA . 52978 1 527 . 1 . 1 133 133 GLN CB C 13 29.655 . . . . . . . . 389 Q CB . 52978 1 528 . 1 . 1 133 133 GLN N N 15 122.841 . . . . . . . . 389 Q N . 52978 1 529 . 1 . 1 134 134 ALA H H 1 8.156 . . . . . . . . 390 A HN . 52978 1 530 . 1 . 1 134 134 ALA C C 13 177.625 . . . . . . . . 390 A CO . 52978 1 531 . 1 . 1 134 134 ALA CA C 13 52.722 . . . . . . . . 390 A CA . 52978 1 532 . 1 . 1 134 134 ALA CB C 13 19.116 . . . . . . . . 390 A CB . 52978 1 533 . 1 . 1 134 134 ALA N N 15 125.454 . . . . . . . . 390 A N . 52978 1 534 . 1 . 1 135 135 ALA H H 1 8.186 . . . . . . . . 391 A HN . 52978 1 535 . 1 . 1 135 135 ALA C C 13 177.907 . . . . . . . . 391 A CO . 52978 1 536 . 1 . 1 135 135 ALA CA C 13 52.453 . . . . . . . . 391 A CA . 52978 1 537 . 1 . 1 135 135 ALA CB C 13 19.046 . . . . . . . . 391 A CB . 52978 1 538 . 1 . 1 135 135 ALA N N 15 122.703 . . . . . . . . 391 A N . 52978 1 539 . 1 . 1 136 136 LEU H H 1 8.116 . . . . . . . . 392 L HN . 52978 1 540 . 1 . 1 136 136 LEU C C 13 178.144 . . . . . . . . 392 L CO . 52978 1 541 . 1 . 1 136 136 LEU CA C 13 55.557 . . . . . . . . 392 L CA . 52978 1 542 . 1 . 1 136 136 LEU CB C 13 42.327 . . . . . . . . 392 L CB . 52978 1 543 . 1 . 1 136 136 LEU N N 15 121.105 . . . . . . . . 392 L N . 52978 1 544 . 1 . 1 137 137 GLY H H 1 8.34 . . . . . . . . 393 G HN . 52978 1 545 . 1 . 1 137 137 GLY C C 13 174.358 . . . . . . . . 393 G CO . 52978 1 546 . 1 . 1 137 137 GLY CA C 13 45.464 . . . . . . . . 393 G CA . 52978 1 547 . 1 . 1 137 137 GLY N N 15 109.156 . . . . . . . . 393 G N . 52978 1 548 . 1 . 1 138 138 THR H H 1 7.931 . . . . . . . . 394 T HN . 52978 1 549 . 1 . 1 138 138 THR C C 13 174.411 . . . . . . . . 394 T CO . 52978 1 550 . 1 . 1 138 138 THR CA C 13 61.93 . . . . . . . . 394 T CA . 52978 1 551 . 1 . 1 138 138 THR CB C 13 69.844 . . . . . . . . 394 T CB . 52978 1 552 . 1 . 1 138 138 THR N N 15 113.482 . . . . . . . . 394 T N . 52978 1 553 . 1 . 1 139 139 LEU H H 1 8.223 . . . . . . . . 395 L HN . 52978 1 554 . 1 . 1 139 139 LEU C C 13 176.662 . . . . . . . . 395 L CO . 52978 1 555 . 1 . 1 139 139 LEU CA C 13 55.182 . . . . . . . . 395 L CA . 52978 1 556 . 1 . 1 139 139 LEU CB C 13 42.394 . . . . . . . . 395 L CB . 52978 1 557 . 1 . 1 139 139 LEU N N 15 124.269 . . . . . . . . 395 L N . 52978 1 558 . 1 . 1 140 140 ASN H H 1 8.386 . . . . . . . . 396 N HN . 52978 1 559 . 1 . 1 140 140 ASN C C 13 172.304 . . . . . . . . 396 N CO . 52978 1 560 . 1 . 1 140 140 ASN CA C 13 51.429 . . . . . . . . 396 N CA . 52978 1 561 . 1 . 1 140 140 ASN CB C 13 38.793 . . . . . . . . 396 N CB . 52978 1 562 . 1 . 1 140 140 ASN N N 15 120.276 . . . . . . . . 396 N N . 52978 1 563 . 1 . 1 148 148 LEU H H 1 8.236 . . . . . . . . 404 L HN . 52978 1 564 . 1 . 1 148 148 LEU CA C 13 55.357 . . . . . . . . 404 L CA . 52978 1 565 . 1 . 1 148 148 LEU CB C 13 42.394 . . . . . . . . 404 L CB . 52978 1 566 . 1 . 1 148 148 LEU N N 15 122.216 . . . . . . . . 404 L N . 52978 1 567 . 1 . 1 149 149 LEU H H 1 8.146 . . . . . . . . 405 L HN . 52978 1 568 . 1 . 1 149 149 LEU C C 13 177.03 . . . . . . . . 405 L CO . 52978 1 569 . 1 . 1 149 149 LEU CA C 13 55.151 . . . . . . . . 405 L CA . 52978 1 570 . 1 . 1 149 149 LEU CB C 13 42.462 . . . . . . . . 405 L CB . 52978 1 571 . 1 . 1 149 149 LEU N N 15 123.346 . . . . . . . . 405 L N . 52978 1 572 . 1 . 1 150 150 ALA H H 1 8.205 . . . . . . . . 406 A HN . 52978 1 573 . 1 . 1 150 150 ALA C C 13 177.507 . . . . . . . . 406 A CO . 52978 1 574 . 1 . 1 150 150 ALA CA C 13 52.697 . . . . . . . . 406 A CA . 52978 1 575 . 1 . 1 150 150 ALA CB C 13 19.184 . . . . . . . . 406 A CB . 52978 1 576 . 1 . 1 150 150 ALA N N 15 124.83 . . . . . . . . 406 A N . 52978 1 577 . 1 . 1 151 151 ALA H H 1 8.221 . . . . . . . . 407 A HN . 52978 1 578 . 1 . 1 151 151 ALA CA C 13 52.819 . . . . . . . . 407 A CA . 52978 1 579 . 1 . 1 151 151 ALA CB C 13 19.211 . . . . . . . . 407 A CB . 52978 1 580 . 1 . 1 151 151 ALA N N 15 122.789 . . . . . . . . 407 A N . 52978 1 581 . 1 . 1 152 152 THR H H 1 8.051 . . . . . . . . 408 T HN . 52978 1 582 . 1 . 1 152 152 THR C C 13 174.626 . . . . . . . . 408 T CO . 52978 1 583 . 1 . 1 152 152 THR CA C 13 62.278 . . . . . . . . 408 T CA . 52978 1 584 . 1 . 1 152 152 THR CB C 13 69.786 . . . . . . . . 408 T CB . 52978 1 585 . 1 . 1 152 152 THR N N 15 113.656 . . . . . . . . 408 T N . 52978 1 586 . 1 . 1 153 153 VAL H H 1 8.088 . . . . . . . . 409 V HN . 52978 1 587 . 1 . 1 153 153 VAL C C 13 176.146 . . . . . . . . 409 V CO . 52978 1 588 . 1 . 1 153 153 VAL CA C 13 62.547 . . . . . . . . 409 V CA . 52978 1 589 . 1 . 1 153 153 VAL CB C 13 32.699 . . . . . . . . 409 V CB . 52978 1 590 . 1 . 1 153 153 VAL N N 15 123.098 . . . . . . . . 409 V N . 52978 1 591 . 1 . 1 154 154 LEU H H 1 8.276 . . . . . . . . 410 L HN . 52978 1 592 . 1 . 1 154 154 LEU C C 13 177.103 . . . . . . . . 410 L CO . 52978 1 593 . 1 . 1 154 154 LEU CA C 13 55.117 . . . . . . . . 410 L CA . 52978 1 594 . 1 . 1 154 154 LEU CB C 13 42.38 . . . . . . . . 410 L CB . 52978 1 595 . 1 . 1 154 154 LEU N N 15 126.078 . . . . . . . . 410 L N . 52978 1 596 . 1 . 1 155 155 ALA H H 1 8.243 . . . . . . . . 411 A HN . 52978 1 597 . 1 . 1 155 155 ALA C C 13 177.608 . . . . . . . . 411 A CO . 52978 1 598 . 1 . 1 155 155 ALA CA C 13 52.545 . . . . . . . . 411 A CA . 52978 1 599 . 1 . 1 155 155 ALA CB C 13 19.211 . . . . . . . . 411 A CB . 52978 1 600 . 1 . 1 155 155 ALA N N 15 124.889 . . . . . . . . 411 A N . 52978 1 601 . 1 . 1 156 156 SER H H 1 8.191 . . . . . . . . 412 S HN . 52978 1 602 . 1 . 1 156 156 SER C C 13 174.294 . . . . . . . . 412 S CO . 52978 1 603 . 1 . 1 156 156 SER CA C 13 58.126 . . . . . . . . 412 S CA . 52978 1 604 . 1 . 1 156 156 SER CB C 13 63.889 . . . . . . . . 412 S CB . 52978 1 605 . 1 . 1 156 156 SER N N 15 114.841 . . . . . . . . 412 S N . 52978 1 606 . 1 . 1 157 157 THR H H 1 8.123 . . . . . . . . 413 T HN . 52978 1 607 . 1 . 1 157 157 THR C C 13 172.353 . . . . . . . . 413 T CO . 52978 1 608 . 1 . 1 157 157 THR CA C 13 59.968 . . . . . . . . 413 T CA . 52978 1 609 . 1 . 1 157 157 THR CB C 13 69.874 . . . . . . . . 413 T CB . 52978 1 610 . 1 . 1 157 157 THR N N 15 118.575 . . . . . . . . 413 T N . 52978 1 611 . 1 . 1 160 160 GLY H H 1 8.473 . . . . . . . . 416 G HN . 52978 1 612 . 1 . 1 160 160 GLY C C 13 174.204 . . . . . . . . 416 G CO . 52978 1 613 . 1 . 1 160 160 GLY CA C 13 45.12 . . . . . . . . 416 G CA . 52978 1 614 . 1 . 1 160 160 GLY N N 15 109.213 . . . . . . . . 416 G N . 52978 1 615 . 1 . 1 161 161 ALA H H 1 8.11 . . . . . . . . 417 A HN . 52978 1 616 . 1 . 1 161 161 ALA C C 13 178.303 . . . . . . . . 417 A CO . 52978 1 617 . 1 . 1 161 161 ALA CA C 13 52.808 . . . . . . . . 417 A CA . 52978 1 618 . 1 . 1 161 161 ALA CB C 13 19.398 . . . . . . . . 417 A CB . 52978 1 619 . 1 . 1 161 161 ALA N N 15 123.705 . . . . . . . . 417 A N . 52978 1 620 . 1 . 1 162 162 THR H H 1 8.111 . . . . . . . . 418 T HN . 52978 1 621 . 1 . 1 162 162 THR C C 13 174.698 . . . . . . . . 418 T CO . 52978 1 622 . 1 . 1 162 162 THR N N 15 113.314 . . . . . . . . 418 T N . 52978 1 623 . 1 . 1 163 163 ALA H H 1 8.3 . . . . . . . . 419 A HN . 52978 1 624 . 1 . 1 163 163 ALA C C 13 178.007 . . . . . . . . 419 A CO . 52978 1 625 . 1 . 1 163 163 ALA CA C 13 52.947 . . . . . . . . 419 A CA . 52978 1 626 . 1 . 1 163 163 ALA CB C 13 19.038 . . . . . . . . 419 A CB . 52978 1 627 . 1 . 1 163 163 ALA N N 15 126.383 . . . . . . . . 419 A N . 52978 1 628 . 1 . 1 164 164 ALA H H 1 8.227 . . . . . . . . 420 A HN . 52978 1 629 . 1 . 1 164 164 ALA C C 13 178.125 . . . . . . . . 420 A CO . 52978 1 630 . 1 . 1 164 164 ALA CA C 13 52.872 . . . . . . . . 420 A CA . 52978 1 631 . 1 . 1 164 164 ALA CB C 13 19.05 . . . . . . . . 420 A CB . 52978 1 632 . 1 . 1 164 164 ALA N N 15 123.082 . . . . . . . . 420 A N . 52978 1 633 . 1 . 1 168 168 ALA H H 1 8.111 . . . . . . . . 424 A HN . 52978 1 634 . 1 . 1 168 168 ALA C C 13 178.408 . . . . . . . . 424 A CO . 52978 1 635 . 1 . 1 168 168 ALA CA C 13 52.887 . . . . . . . . 424 A CA . 52978 1 636 . 1 . 1 168 168 ALA CB C 13 19.211 . . . . . . . . 424 A CB . 52978 1 637 . 1 . 1 168 168 ALA N N 15 122.663 . . . . . . . . 424 A N . 52978 1 638 . 1 . 1 169 169 GLY H H 1 8.252 . . . . . . . . 425 G HN . 52978 1 639 . 1 . 1 169 169 GLY C C 13 174.315 . . . . . . . . 425 G CO . 52978 1 640 . 1 . 1 169 169 GLY CA C 13 45.44 . . . . . . . . 425 G CA . 52978 1 641 . 1 . 1 169 169 GLY N N 15 107.617 . . . . . . . . 425 G N . 52978 1 642 . 1 . 1 170 170 MET H H 1 8.139 . . . . . . . . 426 M HN . 52978 1 643 . 1 . 1 170 170 MET C C 13 176.512 . . . . . . . . 426 M CO . 52978 1 644 . 1 . 1 170 170 MET CA C 13 55.341 . . . . . . . . 426 M CA . 52978 1 645 . 1 . 1 170 170 MET CB C 13 33.088 . . . . . . . . 426 M CB . 52978 1 646 . 1 . 1 170 170 MET N N 15 119.433 . . . . . . . . 426 M N . 52978 1 647 . 1 . 1 171 171 GLY H H 1 8.268 . . . . . . . . 427 G HN . 52978 1 648 . 1 . 1 171 171 GLY C C 13 171.518 . . . . . . . . 427 G CO . 52978 1 649 . 1 . 1 171 171 GLY CA C 13 44.539 . . . . . . . . 427 G CA . 52978 1 650 . 1 . 1 171 171 GLY N N 15 109.977 . . . . . . . . 427 G N . 52978 1 651 . 1 . 1 173 173 ARG H H 1 8.428 . . . . . . . . 429 R HN . 52978 1 652 . 1 . 1 173 173 ARG C C 13 174.279 . . . . . . . . 429 R CO . 52978 1 653 . 1 . 1 173 173 ARG CA C 13 53.857 . . . . . . . . 429 R CA . 52978 1 654 . 1 . 1 173 173 ARG CB C 13 30.254 . . . . . . . . 429 R CB . 52978 1 655 . 1 . 1 173 173 ARG N N 15 122.594 . . . . . . . . 429 R N . 52978 1 656 . 1 . 1 175 175 MET H H 1 8.486 . . . . . . . . 431 M HN . 52978 1 657 . 1 . 1 175 175 MET C C 13 176.105 . . . . . . . . 431 M CO . 52978 1 658 . 1 . 1 175 175 MET CA C 13 55.398 . . . . . . . . 431 M CA . 52978 1 659 . 1 . 1 175 175 MET CB C 13 33.038 . . . . . . . . 431 M CB . 52978 1 660 . 1 . 1 175 175 MET N N 15 120.94 . . . . . . . . 431 M N . 52978 1 661 . 1 . 1 176 176 ALA H H 1 8.366 . . . . . . . . 432 A HN . 52978 1 662 . 1 . 1 176 176 ALA CA C 13 52.682 . . . . . . . . 432 A CA . 52978 1 663 . 1 . 1 176 176 ALA CB C 13 19.211 . . . . . . . . 432 A CB . 52978 1 664 . 1 . 1 176 176 ALA N N 15 125.706 . . . . . . . . 432 A N . 52978 1 665 . 1 . 1 177 177 GLY H H 1 8.439 . . . . . . . . 433 G HN . 52978 1 666 . 1 . 1 177 177 GLY C C 13 174.291 . . . . . . . . 433 G CO . 52978 1 667 . 1 . 1 177 177 GLY CA C 13 45.252 . . . . . . . . 433 G CA . 52978 1 668 . 1 . 1 177 177 GLY N N 15 108.694 . . . . . . . . 433 G N . 52978 1 669 . 1 . 1 178 178 SER H H 1 8.22 . . . . . . . . 434 S HN . 52978 1 670 . 1 . 1 178 178 SER C C 13 175.262 . . . . . . . . 434 S CO . 52978 1 671 . 1 . 1 178 178 SER CA C 13 58.394 . . . . . . . . 434 S CA . 52978 1 672 . 1 . 1 178 178 SER CB C 13 64.05 . . . . . . . . 434 S CB . 52978 1 673 . 1 . 1 178 178 SER N N 15 115.466 . . . . . . . . 434 S N . 52978 1 674 . 1 . 1 179 179 THR H H 1 8.303 . . . . . . . . 435 T HN . 52978 1 675 . 1 . 1 179 179 THR C C 13 174.599 . . . . . . . . 435 T CO . 52978 1 676 . 1 . 1 179 179 THR CA C 13 62.186 . . . . . . . . 435 T CA . 52978 1 677 . 1 . 1 179 179 THR CB C 13 69.569 . . . . . . . . 435 T CB . 52978 1 678 . 1 . 1 179 179 THR N N 15 115.265 . . . . . . . . 435 T N . 52978 1 679 . 1 . 1 180 180 ASP H H 1 8.293 . . . . . . . . 436 D HN . 52978 1 680 . 1 . 1 180 180 ASP C C 13 176.372 . . . . . . . . 436 D CO . 52978 1 681 . 1 . 1 180 180 ASP CA C 13 54.784 . . . . . . . . 436 D CA . 52978 1 682 . 1 . 1 180 180 ASP CB C 13 41.057 . . . . . . . . 436 D CB . 52978 1 683 . 1 . 1 180 180 ASP N N 15 122.186 . . . . . . . . 436 D N . 52978 1 684 . 1 . 1 181 181 GLN H H 1 8.251 . . . . . . . . 437 Q HN . 52978 1 685 . 1 . 1 181 181 GLN C C 13 176.241 . . . . . . . . 437 Q CO . 52978 1 686 . 1 . 1 181 181 GLN CA C 13 56.223 . . . . . . . . 437 Q CA . 52978 1 687 . 1 . 1 181 181 GLN CB C 13 29.294 . . . . . . . . 437 Q CB . 52978 1 688 . 1 . 1 181 181 GLN N N 15 120.156 . . . . . . . . 437 Q N . 52978 1 689 . 1 . 1 182 182 ILE H H 1 8.022 . . . . . . . . 438 I HN . 52978 1 690 . 1 . 1 182 182 ILE C C 13 176.164 . . . . . . . . 438 I CO . 52978 1 691 . 1 . 1 182 182 ILE CA C 13 61.424 . . . . . . . . 438 I CA . 52978 1 692 . 1 . 1 182 182 ILE CB C 13 38.512 . . . . . . . . 438 I CB . 52978 1 693 . 1 . 1 182 182 ILE N N 15 121.024 . . . . . . . . 438 I N . 52978 1 694 . 1 . 1 183 183 ALA H H 1 8.224 . . . . . . . . 439 A HN . 52978 1 695 . 1 . 1 183 183 ALA C C 13 177.568 . . . . . . . . 439 A CO . 52978 1 696 . 1 . 1 183 183 ALA CA C 13 52.79 . . . . . . . . 439 A CA . 52978 1 697 . 1 . 1 183 183 ALA CB C 13 19.044 . . . . . . . . 439 A CB . 52978 1 698 . 1 . 1 183 183 ALA N N 15 126.785 . . . . . . . . 439 A N . 52978 1 699 . 1 . 1 184 184 HIS H H 1 8.268 . . . . . . . . 440 H HN . 52978 1 700 . 1 . 1 184 184 HIS C C 13 174.569 . . . . . . . . 440 H CO . 52978 1 701 . 1 . 1 184 184 HIS CA C 13 55.403 . . . . . . . . 440 H CA . 52978 1 702 . 1 . 1 184 184 HIS CB C 13 29.371 . . . . . . . . 440 H CB . 52978 1 703 . 1 . 1 184 184 HIS N N 15 117.39 . . . . . . . . 440 H N . 52978 1 704 . 1 . 1 185 185 LEU H H 1 8.142 . . . . . . . . 441 L HN . 52978 1 705 . 1 . 1 185 185 LEU C C 13 177.008 . . . . . . . . 441 L CO . 52978 1 706 . 1 . 1 185 185 LEU CA C 13 55.082 . . . . . . . . 441 L CA . 52978 1 707 . 1 . 1 185 185 LEU CB C 13 42.325 . . . . . . . . 441 L CB . 52978 1 708 . 1 . 1 185 185 LEU N N 15 123.027 . . . . . . . . 441 L N . 52978 1 709 . 1 . 1 186 186 ARG H H 1 8.303 . . . . . . . . 442 R HN . 52978 1 710 . 1 . 1 186 186 ARG C C 13 174.112 . . . . . . . . 442 R CO . 52978 1 711 . 1 . 1 186 186 ARG CA C 13 53.898 . . . . . . . . 442 R CA . 52978 1 712 . 1 . 1 186 186 ARG CB C 13 30.219 . . . . . . . . 442 R CB . 52978 1 713 . 1 . 1 186 186 ARG N N 15 122.978 . . . . . . . . 442 R N . 52978 1 714 . 1 . 1 188 188 GLN H H 1 8.55 . . . . . . . . 444 Q HN . 52978 1 715 . 1 . 1 188 188 GLN C C 13 175.498 . . . . . . . . 444 Q CO . 52978 1 716 . 1 . 1 188 188 GLN CA C 13 55.953 . . . . . . . . 444 Q CA . 52978 1 717 . 1 . 1 188 188 GLN CB C 13 29.663 . . . . . . . . 444 Q CB . 52978 1 718 . 1 . 1 188 188 GLN N N 15 121.38 . . . . . . . . 444 Q N . 52978 1 719 . 1 . 1 189 189 THR H H 1 7.812 . . . . . . . . 445 T HN . 52978 1 720 . 1 . 1 189 189 THR C C 13 173.158 . . . . . . . . 445 T CO . 52978 1 721 . 1 . 1 189 189 THR CA C 13 63.144 . . . . . . . . 445 T CA . 52978 1 722 . 1 . 1 189 189 THR CB C 13 70.726 . . . . . . . . 445 T CB . 52978 1 723 . 1 . 1 189 189 THR N N 15 120.726 . . . . . . . . 445 T N . 52978 1 stop_ save_