data_50712 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50712 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of HIV-1 Gag(276-432) encompassing the C-terminal domain of the capsid protein, the spacer peptide 1 and the nucleocapsid protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-15 _Entry.Accession_date 2021-01-15 _Entry.Last_release_date 2021-01-17 _Entry.Original_release_date 2021-01-17 _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 Xiaowei CHEN . . . . 50712 2 Pascale Coric . . . . 50712 3 Serge Bouaziz . . . . 50712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 50712 '15N chemical shifts' 137 50712 '1H chemical shifts' 137 50712 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 . . 2021-11-19 2021-01-15 update BMRB 'update entry citation' 50712 1 . . 2021-03-29 2021-01-15 original author 'original release' 50712 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6rwg 'Structure of HIV-1 CAcSP1NC mutant(W41A,M42A) interacting with maturation inhibitor EP39' 50712 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50712 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33754285 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignment of HIV-1 Gag (276-432) encompassing the C-terminal domain of the capsid protein, the spacer peptide 1 and the nucleocapsid protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _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 267 _Citation.Page_last 271 _Citation.Year 2021 _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 Xiaowei Chen . . . . 50712 1 2 Pascale Coric . . . . 50712 1 3 Serge Bouaziz . . . . 50712 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HIV-1; Capsid protein; Spacer peptide 1; Nucleocapsid; NMR' 50712 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50712 _Assembly.ID 1 _Assembly.Name CActdSP1NC _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 CActdSP1NC 1 $entity_1 . . yes native no no . . . 50712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50712 _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 ; MYSPTSILDIRQGPKEPFRD YVDRFYKTLRAEQASQEVKN AATETLLVQNANPDCKTILK ALGPGATLEEMMTACQGVGG PGHKARVLAEAMSQVTNPAT IMIQKGNFRNQRKTVKCFNC GKEGHIAKNCRAPRKKGCWK CGKEGHQMKDCTERQAN ; _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 276 MET . 50712 1 2 277 TYR . 50712 1 3 278 SER . 50712 1 4 279 PRO . 50712 1 5 280 THR . 50712 1 6 281 SER . 50712 1 7 282 ILE . 50712 1 8 283 LEU . 50712 1 9 284 ASP . 50712 1 10 285 ILE . 50712 1 11 286 ARG . 50712 1 12 287 GLN . 50712 1 13 288 GLY . 50712 1 14 289 PRO . 50712 1 15 290 LYS . 50712 1 16 291 GLU . 50712 1 17 292 PRO . 50712 1 18 293 PHE . 50712 1 19 294 ARG . 50712 1 20 295 ASP . 50712 1 21 296 TYR . 50712 1 22 297 VAL . 50712 1 23 298 ASP . 50712 1 24 299 ARG . 50712 1 25 300 PHE . 50712 1 26 301 TYR . 50712 1 27 302 LYS . 50712 1 28 303 THR . 50712 1 29 304 LEU . 50712 1 30 305 ARG . 50712 1 31 306 ALA . 50712 1 32 307 GLU . 50712 1 33 308 GLN . 50712 1 34 309 ALA . 50712 1 35 310 SER . 50712 1 36 311 GLN . 50712 1 37 312 GLU . 50712 1 38 313 VAL . 50712 1 39 314 LYS . 50712 1 40 315 ASN . 50712 1 41 316 ALA . 50712 1 42 317 ALA . 50712 1 43 318 THR . 50712 1 44 319 GLU . 50712 1 45 320 THR . 50712 1 46 321 LEU . 50712 1 47 322 LEU . 50712 1 48 323 VAL . 50712 1 49 324 GLN . 50712 1 50 325 ASN . 50712 1 51 326 ALA . 50712 1 52 327 ASN . 50712 1 53 328 PRO . 50712 1 54 329 ASP . 50712 1 55 330 CYS . 50712 1 56 331 LYS . 50712 1 57 332 THR . 50712 1 58 333 ILE . 50712 1 59 334 LEU . 50712 1 60 335 LYS . 50712 1 61 336 ALA . 50712 1 62 337 LEU . 50712 1 63 338 GLY . 50712 1 64 339 PRO . 50712 1 65 340 GLY . 50712 1 66 341 ALA . 50712 1 67 342 THR . 50712 1 68 343 LEU . 50712 1 69 344 GLU . 50712 1 70 345 GLU . 50712 1 71 346 MET . 50712 1 72 347 MET . 50712 1 73 348 THR . 50712 1 74 349 ALA . 50712 1 75 350 CYS . 50712 1 76 351 GLN . 50712 1 77 352 GLY . 50712 1 78 353 VAL . 50712 1 79 354 GLY . 50712 1 80 355 GLY . 50712 1 81 356 PRO . 50712 1 82 357 GLY . 50712 1 83 358 HIS . 50712 1 84 359 LYS . 50712 1 85 360 ALA . 50712 1 86 361 ARG . 50712 1 87 362 VAL . 50712 1 88 363 LEU . 50712 1 89 364 ALA . 50712 1 90 365 GLU . 50712 1 91 366 ALA . 50712 1 92 367 MET . 50712 1 93 368 SER . 50712 1 94 369 GLN . 50712 1 95 370 VAL . 50712 1 96 371 THR . 50712 1 97 372 ASN . 50712 1 98 373 PRO . 50712 1 99 374 ALA . 50712 1 100 375 THR . 50712 1 101 376 ILE . 50712 1 102 377 MET . 50712 1 103 378 ILE . 50712 1 104 379 GLN . 50712 1 105 380 LYS . 50712 1 106 381 GLY . 50712 1 107 382 ASN . 50712 1 108 383 PHE . 50712 1 109 384 ARG . 50712 1 110 385 ASN . 50712 1 111 386 GLN . 50712 1 112 387 ARG . 50712 1 113 388 LYS . 50712 1 114 389 THR . 50712 1 115 390 VAL . 50712 1 116 391 LYS . 50712 1 117 392 CYS . 50712 1 118 393 PHE . 50712 1 119 394 ASN . 50712 1 120 395 CYS . 50712 1 121 396 GLY . 50712 1 122 397 LYS . 50712 1 123 398 GLU . 50712 1 124 399 GLY . 50712 1 125 400 HIS . 50712 1 126 401 ILE . 50712 1 127 402 ALA . 50712 1 128 403 LYS . 50712 1 129 404 ASN . 50712 1 130 405 CYS . 50712 1 131 406 ARG . 50712 1 132 407 ALA . 50712 1 133 408 PRO . 50712 1 134 409 ARG . 50712 1 135 410 LYS . 50712 1 136 411 LYS . 50712 1 137 412 GLY . 50712 1 138 413 CYS . 50712 1 139 414 TRP . 50712 1 140 415 LYS . 50712 1 141 416 CYS . 50712 1 142 417 GLY . 50712 1 143 418 LYS . 50712 1 144 419 GLU . 50712 1 145 420 GLY . 50712 1 146 421 HIS . 50712 1 147 422 GLN . 50712 1 148 423 MET . 50712 1 149 424 LYS . 50712 1 150 425 ASP . 50712 1 151 426 CYS . 50712 1 152 427 THR . 50712 1 153 428 GLU . 50712 1 154 429 ARG . 50712 1 155 430 GLN . 50712 1 156 431 ALA . 50712 1 157 432 ASN . 50712 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 50712 1 . TYR 2 2 50712 1 . SER 3 3 50712 1 . PRO 4 4 50712 1 . THR 5 5 50712 1 . SER 6 6 50712 1 . ILE 7 7 50712 1 . LEU 8 8 50712 1 . ASP 9 9 50712 1 . ILE 10 10 50712 1 . ARG 11 11 50712 1 . GLN 12 12 50712 1 . GLY 13 13 50712 1 . PRO 14 14 50712 1 . LYS 15 15 50712 1 . GLU 16 16 50712 1 . PRO 17 17 50712 1 . PHE 18 18 50712 1 . ARG 19 19 50712 1 . ASP 20 20 50712 1 . TYR 21 21 50712 1 . VAL 22 22 50712 1 . ASP 23 23 50712 1 . ARG 24 24 50712 1 . PHE 25 25 50712 1 . TYR 26 26 50712 1 . LYS 27 27 50712 1 . THR 28 28 50712 1 . LEU 29 29 50712 1 . ARG 30 30 50712 1 . ALA 31 31 50712 1 . GLU 32 32 50712 1 . GLN 33 33 50712 1 . ALA 34 34 50712 1 . SER 35 35 50712 1 . GLN 36 36 50712 1 . GLU 37 37 50712 1 . VAL 38 38 50712 1 . LYS 39 39 50712 1 . ASN 40 40 50712 1 . ALA 41 41 50712 1 . ALA 42 42 50712 1 . THR 43 43 50712 1 . GLU 44 44 50712 1 . THR 45 45 50712 1 . LEU 46 46 50712 1 . LEU 47 47 50712 1 . VAL 48 48 50712 1 . GLN 49 49 50712 1 . ASN 50 50 50712 1 . ALA 51 51 50712 1 . ASN 52 52 50712 1 . PRO 53 53 50712 1 . ASP 54 54 50712 1 . CYS 55 55 50712 1 . LYS 56 56 50712 1 . THR 57 57 50712 1 . ILE 58 58 50712 1 . LEU 59 59 50712 1 . LYS 60 60 50712 1 . ALA 61 61 50712 1 . LEU 62 62 50712 1 . GLY 63 63 50712 1 . PRO 64 64 50712 1 . GLY 65 65 50712 1 . ALA 66 66 50712 1 . THR 67 67 50712 1 . LEU 68 68 50712 1 . GLU 69 69 50712 1 . GLU 70 70 50712 1 . MET 71 71 50712 1 . MET 72 72 50712 1 . THR 73 73 50712 1 . ALA 74 74 50712 1 . CYS 75 75 50712 1 . GLN 76 76 50712 1 . GLY 77 77 50712 1 . VAL 78 78 50712 1 . GLY 79 79 50712 1 . GLY 80 80 50712 1 . PRO 81 81 50712 1 . GLY 82 82 50712 1 . HIS 83 83 50712 1 . LYS 84 84 50712 1 . ALA 85 85 50712 1 . ARG 86 86 50712 1 . VAL 87 87 50712 1 . LEU 88 88 50712 1 . ALA 89 89 50712 1 . GLU 90 90 50712 1 . ALA 91 91 50712 1 . MET 92 92 50712 1 . SER 93 93 50712 1 . GLN 94 94 50712 1 . VAL 95 95 50712 1 . THR 96 96 50712 1 . ASN 97 97 50712 1 . PRO 98 98 50712 1 . ALA 99 99 50712 1 . THR 100 100 50712 1 . ILE 101 101 50712 1 . MET 102 102 50712 1 . ILE 103 103 50712 1 . GLN 104 104 50712 1 . LYS 105 105 50712 1 . GLY 106 106 50712 1 . ASN 107 107 50712 1 . PHE 108 108 50712 1 . ARG 109 109 50712 1 . ASN 110 110 50712 1 . GLN 111 111 50712 1 . ARG 112 112 50712 1 . LYS 113 113 50712 1 . THR 114 114 50712 1 . VAL 115 115 50712 1 . LYS 116 116 50712 1 . CYS 117 117 50712 1 . PHE 118 118 50712 1 . ASN 119 119 50712 1 . CYS 120 120 50712 1 . GLY 121 121 50712 1 . LYS 122 122 50712 1 . GLU 123 123 50712 1 . GLY 124 124 50712 1 . HIS 125 125 50712 1 . ILE 126 126 50712 1 . ALA 127 127 50712 1 . LYS 128 128 50712 1 . ASN 129 129 50712 1 . CYS 130 130 50712 1 . ARG 131 131 50712 1 . ALA 132 132 50712 1 . PRO 133 133 50712 1 . ARG 134 134 50712 1 . LYS 135 135 50712 1 . LYS 136 136 50712 1 . GLY 137 137 50712 1 . CYS 138 138 50712 1 . TRP 139 139 50712 1 . LYS 140 140 50712 1 . CYS 141 141 50712 1 . GLY 142 142 50712 1 . LYS 143 143 50712 1 . GLU 144 144 50712 1 . GLY 145 145 50712 1 . HIS 146 146 50712 1 . GLN 147 147 50712 1 . MET 148 148 50712 1 . LYS 149 149 50712 1 . ASP 150 150 50712 1 . CYS 151 151 50712 1 . THR 152 152 50712 1 . GLU 153 153 50712 1 . ARG 154 154 50712 1 . GLN 155 155 50712 1 . ALA 156 156 50712 1 . ASN 157 157 50712 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 50712 _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 . 11676 organism . HIV-1 HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . 50712 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 50712 _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 . . pLATE11 . . . 50712 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50712 _Sample.ID 1 _Sample.Name CActdSP1NC _Sample.Type protein _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 CActdSP1NC '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50712 1 2 beta-mercaptoethanol 'natural abundance' . . . . . . 0.1 . . mM . . . . 50712 1 3 'sodium acetate' '[U-99% 2H]' . . . . . . 25 . . mM . . . . 50712 1 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 50712 1 5 'zinc chloride' 'natural abundance' . . . . . . 0.1 . . mM . . . . 50712 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50712 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 50712 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Solution at 303 K' _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 50712 1 pressure 1 . atm 50712 1 temperature 303 . K 50712 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50712 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50712 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50712 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50712 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50712 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'secondary structure prediction' . 50712 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 50712 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details 'cryo probe' _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 50712 _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 SOFAST-HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50712 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50712 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50712 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50712 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50712 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50712 1 7 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50712 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 50712 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS reference at 303 K' _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 internal indirect 0.251449530 . . . . . 50712 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50712 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 50712 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 50712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chem_shift CActdSP1NC' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N SOFAST-HMQC' . . . 50712 1 2 '3D HNCA' . . . 50712 1 3 '3D HNCACB' . . . 50712 1 4 '3D HNCO' . . . 50712 1 5 '3D HN(CO)CA' . . . 50712 1 6 '3D HN(CA)CO' . . . 50712 1 7 '3D HN(CO)CACB' . . . 50712 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 . . 50712 1 2 $software_2 . . 50712 1 3 $software_3 . . 50712 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 2 2 TYR C C 13 173.514 . . . . . . . . 277 Y C . 50712 1 2 . 1 . 1 2 2 TYR CA C 13 58.019 . . . . . . . . 277 Y CA . 50712 1 3 . 1 . 1 3 3 SER H H 1 8.042 . . . . . . . . 278 S HN . 50712 1 4 . 1 . 1 3 3 SER C C 13 170.505 . . . . . . . . 278 S C . 50712 1 5 . 1 . 1 3 3 SER CA C 13 55.592 . . . . . . . . 278 S CA . 50712 1 6 . 1 . 1 3 3 SER CB C 13 63.699 . . . . . . . . 278 S CB . 50712 1 7 . 1 . 1 3 3 SER N N 15 120.550 . . . . . . . . 278 S N . 50712 1 8 . 1 . 1 4 4 PRO C C 13 175.363 . . . . . . . . 279 P C . 50712 1 9 . 1 . 1 4 4 PRO CA C 13 63.090 . . . . . . . . 279 P CA . 50712 1 10 . 1 . 1 4 4 PRO CB C 13 32.193 . . . . . . . . 279 P CB . 50712 1 11 . 1 . 1 5 5 THR H H 1 8.074 . . . . . . . . 280 T HN . 50712 1 12 . 1 . 1 5 5 THR C C 13 172.918 . . . . . . . . 280 T C . 50712 1 13 . 1 . 1 5 5 THR CA C 13 62.176 . . . . . . . . 280 T CA . 50712 1 14 . 1 . 1 5 5 THR CB C 13 69.812 . . . . . . . . 280 T CB . 50712 1 15 . 1 . 1 5 5 THR N N 15 114.220 . . . . . . . . 280 T N . 50712 1 16 . 1 . 1 6 6 SER H H 1 8.341 . . . . . . . . 281 S HN . 50712 1 17 . 1 . 1 6 6 SER C C 13 174.756 . . . . . . . . 281 S C . 50712 1 18 . 1 . 1 6 6 SER CA C 13 57.905 . . . . . . . . 281 S CA . 50712 1 19 . 1 . 1 6 6 SER CB C 13 64.210 . . . . . . . . 281 S CB . 50712 1 20 . 1 . 1 6 6 SER N N 15 118.501 . . . . . . . . 281 S N . 50712 1 21 . 1 . 1 7 7 ILE H H 1 8.358 . . . . . . . . 282 I HN . 50712 1 22 . 1 . 1 7 7 ILE C C 13 174.211 . . . . . . . . 282 I C . 50712 1 23 . 1 . 1 7 7 ILE CA C 13 61.553 . . . . . . . . 282 I CA . 50712 1 24 . 1 . 1 7 7 ILE CB C 13 38.463 . . . . . . . . 282 I CB . 50712 1 25 . 1 . 1 7 7 ILE N N 15 122.958 . . . . . . . . 282 I N . 50712 1 26 . 1 . 1 8 8 LEU H H 1 7.466 . . . . . . . . 283 L HN . 50712 1 27 . 1 . 1 8 8 LEU C C 13 176.123 . . . . . . . . 283 L C . 50712 1 28 . 1 . 1 8 8 LEU CA C 13 56.547 . . . . . . . . 283 L CA . 50712 1 29 . 1 . 1 8 8 LEU CB C 13 41.482 . . . . . . . . 283 L CB . 50712 1 30 . 1 . 1 8 8 LEU N N 15 119.349 . . . . . . . . 283 L N . 50712 1 31 . 1 . 1 9 9 ASP H H 1 7.579 . . . . . . . . 284 D HN . 50712 1 32 . 1 . 1 9 9 ASP C C 13 174.433 . . . . . . . . 284 D C . 50712 1 33 . 1 . 1 9 9 ASP CA C 13 54.080 . . . . . . . . 284 D CA . 50712 1 34 . 1 . 1 9 9 ASP CB C 13 41.824 . . . . . . . . 284 D CB . 50712 1 35 . 1 . 1 9 9 ASP N N 15 116.128 . . . . . . . . 284 D N . 50712 1 36 . 1 . 1 10 10 ILE H H 1 7.370 . . . . . . . . 285 I HN . 50712 1 37 . 1 . 1 10 10 ILE C C 13 172.272 . . . . . . . . 285 I C . 50712 1 38 . 1 . 1 10 10 ILE CA C 13 59.974 . . . . . . . . 285 I CA . 50712 1 39 . 1 . 1 10 10 ILE CB C 13 35.331 . . . . . . . . 285 I CB . 50712 1 40 . 1 . 1 10 10 ILE N N 15 122.110 . . . . . . . . 285 I N . 50712 1 41 . 1 . 1 11 11 ARG H H 1 8.153 . . . . . . . . 286 R HN . 50712 1 42 . 1 . 1 11 11 ARG C C 13 174.130 . . . . . . . . 286 R C . 50712 1 43 . 1 . 1 11 11 ARG CA C 13 54.218 . . . . . . . . 286 R CA . 50712 1 44 . 1 . 1 11 11 ARG CB C 13 32.889 . . . . . . . . 286 R CB . 50712 1 45 . 1 . 1 11 11 ARG N N 15 124.229 . . . . . . . . 286 R N . 50712 1 46 . 1 . 1 12 12 GLN H H 1 7.549 . . . . . . . . 287 Q HN . 50712 1 47 . 1 . 1 12 12 GLN C C 13 175.492 . . . . . . . . 287 Q C . 50712 1 48 . 1 . 1 12 12 GLN CA C 13 55.999 . . . . . . . . 287 Q CA . 50712 1 49 . 1 . 1 12 12 GLN CB C 13 27.194 . . . . . . . . 287 Q CB . 50712 1 50 . 1 . 1 12 12 GLN N N 15 126.964 . . . . . . . . 287 Q N . 50712 1 51 . 1 . 1 13 13 GLY H H 1 9.762 . . . . . . . . 288 G HN . 50712 1 52 . 1 . 1 13 13 GLY C C 13 171.967 . . . . . . . . 288 G C . 50712 1 53 . 1 . 1 13 13 GLY CA C 13 45.066 . . . . . . . . 288 G CA . 50712 1 54 . 1 . 1 13 13 GLY N N 15 116.949 . . . . . . . . 288 G N . 50712 1 55 . 1 . 1 14 14 PRO C C 13 175.691 . . . . . . . . 289 P C . 50712 1 56 . 1 . 1 15 15 LYS H H 1 8.421 . . . . . . . . 290 K HN . 50712 1 57 . 1 . 1 15 15 LYS C C 13 174.081 . . . . . . . . 290 K C . 50712 1 58 . 1 . 1 15 15 LYS CA C 13 54.083 . . . . . . . . 290 K CA . 50712 1 59 . 1 . 1 15 15 LYS N N 15 115.116 . . . . . . . . 290 K N . 50712 1 60 . 1 . 1 16 16 GLU H H 1 6.993 . . . . . . . . 291 E HN . 50712 1 61 . 1 . 1 16 16 GLU C C 13 172.923 . . . . . . . . 291 E C . 50712 1 62 . 1 . 1 16 16 GLU CA C 13 53.391 . . . . . . . . 291 E CA . 50712 1 63 . 1 . 1 16 16 GLU CB C 13 32.169 . . . . . . . . 291 E CB . 50712 1 64 . 1 . 1 16 16 GLU N N 15 125.622 . . . . . . . . 291 E N . 50712 1 65 . 1 . 1 17 17 PRO C C 13 176.201 . . . . . . . . 292 P C . 50712 1 66 . 1 . 1 17 17 PRO CA C 13 63.320 . . . . . . . . 292 P CA . 50712 1 67 . 1 . 1 18 18 PHE H H 1 9.118 . . . . . . . . 293 F HN . 50712 1 68 . 1 . 1 18 18 PHE C C 13 175.380 . . . . . . . . 293 F C . 50712 1 69 . 1 . 1 18 18 PHE CA C 13 62.934 . . . . . . . . 293 F CA . 50712 1 70 . 1 . 1 18 18 PHE CB C 13 39.559 . . . . . . . . 293 F CB . 50712 1 71 . 1 . 1 18 18 PHE N N 15 127.970 . . . . . . . . 293 F N . 50712 1 72 . 1 . 1 19 19 ARG H H 1 9.053 . . . . . . . . 294 R HN . 50712 1 73 . 1 . 1 19 19 ARG C C 13 175.862 . . . . . . . . 294 R C . 50712 1 74 . 1 . 1 19 19 ARG CA C 13 59.791 . . . . . . . . 294 R CA . 50712 1 75 . 1 . 1 19 19 ARG CB C 13 30.053 . . . . . . . . 294 R CB . 50712 1 76 . 1 . 1 19 19 ARG N N 15 115.572 . . . . . . . . 294 R N . 50712 1 77 . 1 . 1 20 20 ASP H H 1 6.906 . . . . . . . . 295 D HN . 50712 1 78 . 1 . 1 20 20 ASP C C 13 176.651 . . . . . . . . 295 D C . 50712 1 79 . 1 . 1 20 20 ASP CA C 13 56.991 . . . . . . . . 295 D CA . 50712 1 80 . 1 . 1 20 20 ASP CB C 13 40.055 . . . . . . . . 295 D CB . 50712 1 81 . 1 . 1 20 20 ASP N N 15 118.960 . . . . . . . . 295 D N . 50712 1 82 . 1 . 1 21 21 TYR H H 1 7.477 . . . . . . . . 296 Y HN . 50712 1 83 . 1 . 1 21 21 TYR C C 13 174.263 . . . . . . . . 296 Y C . 50712 1 84 . 1 . 1 21 21 TYR CA C 13 59.558 . . . . . . . . 296 Y CA . 50712 1 85 . 1 . 1 21 21 TYR CB C 13 38.209 . . . . . . . . 296 Y CB . 50712 1 86 . 1 . 1 21 21 TYR N N 15 124.636 . . . . . . . . 296 Y N . 50712 1 87 . 1 . 1 22 22 VAL H H 1 8.168 . . . . . . . . 297 V HN . 50712 1 88 . 1 . 1 22 22 VAL C C 13 176.148 . . . . . . . . 297 V C . 50712 1 89 . 1 . 1 22 22 VAL CA C 13 66.500 . . . . . . . . 297 V CA . 50712 1 90 . 1 . 1 22 22 VAL CB C 13 31.616 . . . . . . . . 297 V CB . 50712 1 91 . 1 . 1 22 22 VAL N N 15 120.296 . . . . . . . . 297 V N . 50712 1 92 . 1 . 1 23 23 ASP H H 1 7.397 . . . . . . . . 298 D HN . 50712 1 93 . 1 . 1 23 23 ASP C C 13 177.294 . . . . . . . . 298 D C . 50712 1 94 . 1 . 1 23 23 ASP CA C 13 57.611 . . . . . . . . 298 D CA . 50712 1 95 . 1 . 1 23 23 ASP CB C 13 41.221 . . . . . . . . 298 D CB . 50712 1 96 . 1 . 1 23 23 ASP N N 15 117.584 . . . . . . . . 298 D N . 50712 1 97 . 1 . 1 24 24 ARG H H 1 7.840 . . . . . . . . 299 R HN . 50712 1 98 . 1 . 1 24 24 ARG C C 13 177.490 . . . . . . . . 299 R C . 50712 1 99 . 1 . 1 24 24 ARG CA C 13 60.086 . . . . . . . . 299 R CA . 50712 1 100 . 1 . 1 24 24 ARG CB C 13 30.873 . . . . . . . . 299 R CB . 50712 1 101 . 1 . 1 24 24 ARG N N 15 119.332 . . . . . . . . 299 R N . 50712 1 102 . 1 . 1 25 25 PHE H H 1 8.876 . . . . . . . . 300 F HN . 50712 1 103 . 1 . 1 25 25 PHE C C 13 175.618 . . . . . . . . 300 F C . 50712 1 104 . 1 . 1 25 25 PHE CA C 13 62.292 . . . . . . . . 300 F CA . 50712 1 105 . 1 . 1 25 25 PHE CB C 13 39.077 . . . . . . . . 300 F CB . 50712 1 106 . 1 . 1 25 25 PHE N N 15 124.440 . . . . . . . . 300 F N . 50712 1 107 . 1 . 1 26 26 TYR H H 1 8.536 . . . . . . . . 301 Y HN . 50712 1 108 . 1 . 1 26 26 TYR C C 13 177.451 . . . . . . . . 301 Y C . 50712 1 109 . 1 . 1 26 26 TYR CA C 13 63.239 . . . . . . . . 301 Y CA . 50712 1 110 . 1 . 1 26 26 TYR CB C 13 37.390 . . . . . . . . 301 Y CB . 50712 1 111 . 1 . 1 26 26 TYR N N 15 116.537 . . . . . . . . 301 Y N . 50712 1 112 . 1 . 1 27 27 LYS H H 1 8.236 . . . . . . . . 302 K HN . 50712 1 113 . 1 . 1 27 27 LYS C C 13 177.963 . . . . . . . . 302 K C . 50712 1 114 . 1 . 1 27 27 LYS CA C 13 60.015 . . . . . . . . 302 K CA . 50712 1 115 . 1 . 1 27 27 LYS CB C 13 32.504 . . . . . . . . 302 K CB . 50712 1 116 . 1 . 1 27 27 LYS N N 15 120.649 . . . . . . . . 302 K N . 50712 1 117 . 1 . 1 28 28 THR H H 1 7.594 . . . . . . . . 303 T HN . 50712 1 118 . 1 . 1 28 28 THR C C 13 174.246 . . . . . . . . 303 T C . 50712 1 119 . 1 . 1 28 28 THR CA C 13 66.673 . . . . . . . . 303 T CA . 50712 1 120 . 1 . 1 28 28 THR CB C 13 68.451 . . . . . . . . 303 T CB . 50712 1 121 . 1 . 1 28 28 THR N N 15 116.849 . . . . . . . . 303 T N . 50712 1 122 . 1 . 1 29 29 LEU H H 1 7.821 . . . . . . . . 304 L HN . 50712 1 123 . 1 . 1 29 29 LEU C C 13 176.829 . . . . . . . . 304 L C . 50712 1 124 . 1 . 1 29 29 LEU CA C 13 57.670 . . . . . . . . 304 L CA . 50712 1 125 . 1 . 1 29 29 LEU CB C 13 42.313 . . . . . . . . 304 L CB . 50712 1 126 . 1 . 1 29 29 LEU N N 15 122.107 . . . . . . . . 304 L N . 50712 1 127 . 1 . 1 30 30 ARG H H 1 7.862 . . . . . . . . 305 R HN . 50712 1 128 . 1 . 1 30 30 ARG C C 13 176.413 . . . . . . . . 305 R C . 50712 1 129 . 1 . 1 30 30 ARG CA C 13 58.079 . . . . . . . . 305 R CA . 50712 1 130 . 1 . 1 30 30 ARG CB C 13 29.997 . . . . . . . . 305 R CB . 50712 1 131 . 1 . 1 30 30 ARG N N 15 116.274 . . . . . . . . 305 R N . 50712 1 132 . 1 . 1 31 31 ALA H H 1 7.470 . . . . . . . . 306 A HN . 50712 1 133 . 1 . 1 31 31 ALA C C 13 177.288 . . . . . . . . 306 A C . 50712 1 134 . 1 . 1 31 31 ALA CA C 13 53.735 . . . . . . . . 306 A CA . 50712 1 135 . 1 . 1 31 31 ALA CB C 13 18.773 . . . . . . . . 306 A CB . 50712 1 136 . 1 . 1 31 31 ALA N N 15 121.632 . . . . . . . . 306 A N . 50712 1 137 . 1 . 1 32 32 GLU H H 1 7.818 . . . . . . . . 307 E HN . 50712 1 138 . 1 . 1 32 32 GLU C C 13 175.513 . . . . . . . . 307 E C . 50712 1 139 . 1 . 1 32 32 GLU CA C 13 57.209 . . . . . . . . 307 E CA . 50712 1 140 . 1 . 1 32 32 GLU CB C 13 30.047 . . . . . . . . 307 E CB . 50712 1 141 . 1 . 1 32 32 GLU N N 15 117.897 . . . . . . . . 307 E N . 50712 1 142 . 1 . 1 33 33 GLN H H 1 8.069 . . . . . . . . 308 Q HN . 50712 1 143 . 1 . 1 33 33 GLN C C 13 174.406 . . . . . . . . 308 Q C . 50712 1 144 . 1 . 1 33 33 GLN CA C 13 56.335 . . . . . . . . 308 Q CA . 50712 1 145 . 1 . 1 33 33 GLN CB C 13 28.413 . . . . . . . . 308 Q CB . 50712 1 146 . 1 . 1 33 33 GLN N N 15 118.588 . . . . . . . . 308 Q N . 50712 1 147 . 1 . 1 34 34 ALA H H 1 7.883 . . . . . . . . 309 A HN . 50712 1 148 . 1 . 1 34 34 ALA C C 13 176.361 . . . . . . . . 309 A C . 50712 1 149 . 1 . 1 34 34 ALA CA C 13 52.953 . . . . . . . . 309 A CA . 50712 1 150 . 1 . 1 34 34 ALA CB C 13 19.270 . . . . . . . . 309 A CB . 50712 1 151 . 1 . 1 34 34 ALA N N 15 122.668 . . . . . . . . 309 A N . 50712 1 152 . 1 . 1 35 35 SER H H 1 8.041 . . . . . . . . 310 S HN . 50712 1 153 . 1 . 1 35 35 SER C C 13 173.312 . . . . . . . . 310 S C . 50712 1 154 . 1 . 1 35 35 SER CA C 13 58.153 . . . . . . . . 310 S CA . 50712 1 155 . 1 . 1 35 35 SER CB C 13 64.085 . . . . . . . . 310 S CB . 50712 1 156 . 1 . 1 35 35 SER N N 15 114.159 . . . . . . . . 310 S N . 50712 1 157 . 1 . 1 36 36 GLN H H 1 8.417 . . . . . . . . 311 Q HN . 50712 1 158 . 1 . 1 36 36 GLN C C 13 174.966 . . . . . . . . 311 Q C . 50712 1 159 . 1 . 1 36 36 GLN CA C 13 57.092 . . . . . . . . 311 Q CA . 50712 1 160 . 1 . 1 36 36 GLN CB C 13 28.998 . . . . . . . . 311 Q CB . 50712 1 161 . 1 . 1 36 36 GLN N N 15 121.213 . . . . . . . . 311 Q N . 50712 1 162 . 1 . 1 37 37 GLU H H 1 8.368 . . . . . . . . 312 E HN . 50712 1 163 . 1 . 1 37 37 GLU C C 13 176.022 . . . . . . . . 312 E C . 50712 1 164 . 1 . 1 37 37 GLU CA C 13 58.045 . . . . . . . . 312 E CA . 50712 1 165 . 1 . 1 37 37 GLU CB C 13 29.793 . . . . . . . . 312 E CB . 50712 1 166 . 1 . 1 37 37 GLU N N 15 119.609 . . . . . . . . 312 E N . 50712 1 167 . 1 . 1 38 38 VAL H H 1 7.700 . . . . . . . . 313 V HN . 50712 1 168 . 1 . 1 38 38 VAL C C 13 175.199 . . . . . . . . 313 V C . 50712 1 169 . 1 . 1 38 38 VAL CA C 13 63.612 . . . . . . . . 313 V CA . 50712 1 170 . 1 . 1 38 38 VAL CB C 13 32.272 . . . . . . . . 313 V CB . 50712 1 171 . 1 . 1 38 38 VAL N N 15 120.576 . . . . . . . . 313 V N . 50712 1 172 . 1 . 1 39 39 LYS H H 1 8.206 . . . . . . . . 314 K HN . 50712 1 173 . 1 . 1 39 39 LYS C C 13 175.656 . . . . . . . . 314 K C . 50712 1 174 . 1 . 1 39 39 LYS CA C 13 57.638 . . . . . . . . 314 K CA . 50712 1 175 . 1 . 1 39 39 LYS CB C 13 32.537 . . . . . . . . 314 K CB . 50712 1 176 . 1 . 1 39 39 LYS N N 15 122.947 . . . . . . . . 314 K N . 50712 1 177 . 1 . 1 40 40 ASN H H 1 8.358 . . . . . . . . 315 N HN . 50712 1 178 . 1 . 1 40 40 ASN C C 13 174.137 . . . . . . . . 315 N C . 50712 1 179 . 1 . 1 40 40 ASN CA C 13 53.969 . . . . . . . . 315 N CA . 50712 1 180 . 1 . 1 40 40 ASN CB C 13 38.693 . . . . . . . . 315 N CB . 50712 1 181 . 1 . 1 40 40 ASN N N 15 119.235 . . . . . . . . 315 N N . 50712 1 182 . 1 . 1 41 41 ALA H H 1 8.081 . . . . . . . . 316 A HN . 50712 1 183 . 1 . 1 41 41 ALA C C 13 177.059 . . . . . . . . 316 A C . 50712 1 184 . 1 . 1 41 41 ALA CA C 13 53.707 . . . . . . . . 316 A CA . 50712 1 185 . 1 . 1 41 41 ALA CB C 13 18.921 . . . . . . . . 316 A CB . 50712 1 186 . 1 . 1 41 41 ALA N N 15 123.361 . . . . . . . . 316 A N . 50712 1 187 . 1 . 1 42 42 ALA H H 1 8.207 . . . . . . . . 317 A HN . 50712 1 188 . 1 . 1 42 42 ALA C C 13 177.575 . . . . . . . . 317 A C . 50712 1 189 . 1 . 1 42 42 ALA CA C 13 53.588 . . . . . . . . 317 A CA . 50712 1 190 . 1 . 1 42 42 ALA CB C 13 18.279 . . . . . . . . 317 A CB . 50712 1 191 . 1 . 1 42 42 ALA N N 15 122.033 . . . . . . . . 317 A N . 50712 1 192 . 1 . 1 43 43 THR H H 1 8.061 . . . . . . . . 318 T HN . 50712 1 193 . 1 . 1 43 43 THR C C 13 174.010 . . . . . . . . 318 T C . 50712 1 194 . 1 . 1 43 43 THR CA C 13 65.335 . . . . . . . . 318 T CA . 50712 1 195 . 1 . 1 43 43 THR CB C 13 69.568 . . . . . . . . 318 T CB . 50712 1 196 . 1 . 1 43 43 THR N N 15 114.351 . . . . . . . . 318 T N . 50712 1 197 . 1 . 1 44 44 GLU H H 1 8.425 . . . . . . . . 319 E HN . 50712 1 198 . 1 . 1 44 44 GLU C C 13 176.377 . . . . . . . . 319 E C . 50712 1 199 . 1 . 1 44 44 GLU CA C 13 59.610 . . . . . . . . 319 E CA . 50712 1 200 . 1 . 1 44 44 GLU CB C 13 29.436 . . . . . . . . 319 E CB . 50712 1 201 . 1 . 1 44 44 GLU N N 15 120.026 . . . . . . . . 319 E N . 50712 1 202 . 1 . 1 45 45 THR H H 1 7.652 . . . . . . . . 320 T HN . 50712 1 203 . 1 . 1 45 45 THR C C 13 174.768 . . . . . . . . 320 T C . 50712 1 204 . 1 . 1 45 45 THR CA C 13 65.099 . . . . . . . . 320 T CA . 50712 1 205 . 1 . 1 45 45 THR CB C 13 69.304 . . . . . . . . 320 T CB . 50712 1 206 . 1 . 1 45 45 THR N N 15 112.416 . . . . . . . . 320 T N . 50712 1 207 . 1 . 1 46 46 LEU H H 1 7.736 . . . . . . . . 321 L HN . 50712 1 208 . 1 . 1 46 46 LEU C C 13 175.885 . . . . . . . . 321 L C . 50712 1 209 . 1 . 1 46 46 LEU CA C 13 57.499 . . . . . . . . 321 L CA . 50712 1 210 . 1 . 1 46 46 LEU CB C 13 42.308 . . . . . . . . 321 L CB . 50712 1 211 . 1 . 1 46 46 LEU N N 15 123.129 . . . . . . . . 321 L N . 50712 1 212 . 1 . 1 47 47 LEU H H 1 7.488 . . . . . . . . 322 L HN . 50712 1 213 . 1 . 1 47 47 LEU C C 13 178.862 . . . . . . . . 322 L C . 50712 1 214 . 1 . 1 47 47 LEU CA C 13 57.634 . . . . . . . . 322 L CA . 50712 1 215 . 1 . 1 47 47 LEU CB C 13 41.953 . . . . . . . . 322 L CB . 50712 1 216 . 1 . 1 47 47 LEU N N 15 119.270 . . . . . . . . 322 L N . 50712 1 217 . 1 . 1 48 48 VAL H H 1 7.393 . . . . . . . . 323 V HN . 50712 1 218 . 1 . 1 48 48 VAL C C 13 175.917 . . . . . . . . 323 V C . 50712 1 219 . 1 . 1 48 48 VAL CA C 13 66.122 . . . . . . . . 323 V CA . 50712 1 220 . 1 . 1 48 48 VAL CB C 13 32.021 . . . . . . . . 323 V CB . 50712 1 221 . 1 . 1 48 48 VAL N N 15 116.524 . . . . . . . . 323 V N . 50712 1 222 . 1 . 1 49 49 GLN H H 1 7.789 . . . . . . . . 324 Q HN . 50712 1 223 . 1 . 1 49 49 GLN C C 13 176.087 . . . . . . . . 324 Q C . 50712 1 224 . 1 . 1 49 49 GLN CA C 13 58.872 . . . . . . . . 324 Q CA . 50712 1 225 . 1 . 1 49 49 GLN CB C 13 28.903 . . . . . . . . 324 Q CB . 50712 1 226 . 1 . 1 49 49 GLN N N 15 117.010 . . . . . . . . 324 Q N . 50712 1 227 . 1 . 1 50 50 ASN H H 1 7.699 . . . . . . . . 325 N HN . 50712 1 228 . 1 . 1 50 50 ASN C C 13 173.524 . . . . . . . . 325 N C . 50712 1 229 . 1 . 1 50 50 ASN CA C 13 52.700 . . . . . . . . 325 N CA . 50712 1 230 . 1 . 1 50 50 ASN CB C 13 38.542 . . . . . . . . 325 N CB . 50712 1 231 . 1 . 1 50 50 ASN N N 15 115.325 . . . . . . . . 325 N N . 50712 1 232 . 1 . 1 51 51 ALA H H 1 7.207 . . . . . . . . 326 A HN . 50712 1 233 . 1 . 1 51 51 ALA C C 13 173.967 . . . . . . . . 326 A C . 50712 1 234 . 1 . 1 51 51 ALA CA C 13 51.994 . . . . . . . . 326 A CA . 50712 1 235 . 1 . 1 51 51 ALA CB C 13 19.005 . . . . . . . . 326 A CB . 50712 1 236 . 1 . 1 51 51 ALA N N 15 124.361 . . . . . . . . 326 A N . 50712 1 237 . 1 . 1 52 52 ASN H H 1 8.915 . . . . . . . . 327 N HN . 50712 1 238 . 1 . 1 52 52 ASN C C 13 171.956 . . . . . . . . 327 N C . 50712 1 239 . 1 . 1 52 52 ASN CA C 13 51.682 . . . . . . . . 327 N CA . 50712 1 240 . 1 . 1 52 52 ASN CB C 13 35.889 . . . . . . . . 327 N CB . 50712 1 241 . 1 . 1 52 52 ASN N N 15 119.268 . . . . . . . . 327 N N . 50712 1 242 . 1 . 1 53 53 PRO C C 13 177.116 . . . . . . . . 328 P C . 50712 1 243 . 1 . 1 53 53 PRO CA C 13 66.603 . . . . . . . . 328 P CA . 50712 1 244 . 1 . 1 53 53 PRO CB C 13 32.283 . . . . . . . . 328 P CB . 50712 1 245 . 1 . 1 54 54 ASP H H 1 7.847 . . . . . . . . 329 D HN . 50712 1 246 . 1 . 1 54 54 ASP C C 13 176.819 . . . . . . . . 329 D C . 50712 1 247 . 1 . 1 54 54 ASP CA C 13 57.145 . . . . . . . . 329 D CA . 50712 1 248 . 1 . 1 54 54 ASP CB C 13 40.496 . . . . . . . . 329 D CB . 50712 1 249 . 1 . 1 54 54 ASP N N 15 116.098 . . . . . . . . 329 D N . 50712 1 250 . 1 . 1 55 55 CYS H H 1 8.215 . . . . . . . . 330 C HN . 50712 1 251 . 1 . 1 55 55 CYS C C 13 174.563 . . . . . . . . 330 C C . 50712 1 252 . 1 . 1 55 55 CYS CA C 13 56.865 . . . . . . . . 330 C CA . 50712 1 253 . 1 . 1 55 55 CYS CB C 13 36.966 . . . . . . . . 330 C CB . 50712 1 254 . 1 . 1 55 55 CYS N N 15 117.499 . . . . . . . . 330 C N . 50712 1 255 . 1 . 1 56 56 LYS H H 1 9.186 . . . . . . . . 331 K HN . 50712 1 256 . 1 . 1 56 56 LYS C C 13 176.795 . . . . . . . . 331 K C . 50712 1 257 . 1 . 1 56 56 LYS CA C 13 61.279 . . . . . . . . 331 K CA . 50712 1 258 . 1 . 1 56 56 LYS CB C 13 32.320 . . . . . . . . 331 K CB . 50712 1 259 . 1 . 1 56 56 LYS N N 15 120.969 . . . . . . . . 331 K N . 50712 1 260 . 1 . 1 57 57 THR H H 1 7.661 . . . . . . . . 332 T HN . 50712 1 261 . 1 . 1 57 57 THR C C 13 174.861 . . . . . . . . 332 T C . 50712 1 262 . 1 . 1 57 57 THR CA C 13 66.859 . . . . . . . . 332 T CA . 50712 1 263 . 1 . 1 57 57 THR CB C 13 69.090 . . . . . . . . 332 T CB . 50712 1 264 . 1 . 1 57 57 THR N N 15 113.202 . . . . . . . . 332 T N . 50712 1 265 . 1 . 1 58 58 ILE H H 1 6.972 . . . . . . . . 333 I HN . 50712 1 266 . 1 . 1 58 58 ILE C C 13 177.240 . . . . . . . . 333 I C . 50712 1 267 . 1 . 1 58 58 ILE CA C 13 64.677 . . . . . . . . 333 I CA . 50712 1 268 . 1 . 1 58 58 ILE CB C 13 38.071 . . . . . . . . 333 I CB . 50712 1 269 . 1 . 1 58 58 ILE N N 15 123.620 . . . . . . . . 333 I N . 50712 1 270 . 1 . 1 59 59 LEU H H 1 8.529 . . . . . . . . 334 L HN . 50712 1 271 . 1 . 1 59 59 LEU C C 13 179.430 . . . . . . . . 334 L C . 50712 1 272 . 1 . 1 59 59 LEU CA C 13 57.501 . . . . . . . . 334 L CA . 50712 1 273 . 1 . 1 59 59 LEU CB C 13 41.315 . . . . . . . . 334 L CB . 50712 1 274 . 1 . 1 59 59 LEU N N 15 118.541 . . . . . . . . 334 L N . 50712 1 275 . 1 . 1 60 60 LYS H H 1 8.265 . . . . . . . . 335 K HN . 50712 1 276 . 1 . 1 60 60 LYS C C 13 176.764 . . . . . . . . 335 K C . 50712 1 277 . 1 . 1 60 60 LYS CA C 13 58.859 . . . . . . . . 335 K CA . 50712 1 278 . 1 . 1 60 60 LYS CB C 13 31.917 . . . . . . . . 335 K CB . 50712 1 279 . 1 . 1 60 60 LYS N N 15 119.328 . . . . . . . . 335 K N . 50712 1 280 . 1 . 1 61 61 ALA H H 1 7.111 . . . . . . . . 336 A HN . 50712 1 281 . 1 . 1 61 61 ALA C C 13 177.159 . . . . . . . . 336 A C . 50712 1 282 . 1 . 1 61 61 ALA CA C 13 53.247 . . . . . . . . 336 A CA . 50712 1 283 . 1 . 1 61 61 ALA CB C 13 18.505 . . . . . . . . 336 A CB . 50712 1 284 . 1 . 1 61 61 ALA N N 15 119.908 . . . . . . . . 336 A N . 50712 1 285 . 1 . 1 62 62 LEU H H 1 7.386 . . . . . . . . 337 L HN . 50712 1 286 . 1 . 1 62 62 LEU C C 13 176.908 . . . . . . . . 337 L C . 50712 1 287 . 1 . 1 62 62 LEU CA C 13 56.258 . . . . . . . . 337 L CA . 50712 1 288 . 1 . 1 62 62 LEU CB C 13 42.606 . . . . . . . . 337 L CB . 50712 1 289 . 1 . 1 62 62 LEU N N 15 118.456 . . . . . . . . 337 L N . 50712 1 290 . 1 . 1 63 63 GLY H H 1 7.427 . . . . . . . . 338 G HN . 50712 1 291 . 1 . 1 63 63 GLY C C 13 170.556 . . . . . . . . 338 G C . 50712 1 292 . 1 . 1 63 63 GLY CA C 13 44.447 . . . . . . . . 338 G CA . 50712 1 293 . 1 . 1 63 63 GLY N N 15 104.575 . . . . . . . . 338 G N . 50712 1 294 . 1 . 1 64 64 PRO C C 13 176.531 . . . . . . . . 339 P C . 50712 1 295 . 1 . 1 64 64 PRO CA C 13 63.578 . . . . . . . . 339 P CA . 50712 1 296 . 1 . 1 64 64 PRO CB C 13 31.917 . . . . . . . . 339 P CB . 50712 1 297 . 1 . 1 65 65 GLY H H 1 8.640 . . . . . . . . 340 G HN . 50712 1 298 . 1 . 1 65 65 GLY C C 13 173.042 . . . . . . . . 340 G C . 50712 1 299 . 1 . 1 65 65 GLY CA C 13 45.228 . . . . . . . . 340 G CA . 50712 1 300 . 1 . 1 65 65 GLY N N 15 109.385 . . . . . . . . 340 G N . 50712 1 301 . 1 . 1 66 66 ALA H H 1 7.080 . . . . . . . . 341 A HN . 50712 1 302 . 1 . 1 66 66 ALA C C 13 176.247 . . . . . . . . 341 A C . 50712 1 303 . 1 . 1 66 66 ALA CA C 13 52.477 . . . . . . . . 341 A CA . 50712 1 304 . 1 . 1 66 66 ALA CB C 13 19.752 . . . . . . . . 341 A CB . 50712 1 305 . 1 . 1 66 66 ALA N N 15 123.209 . . . . . . . . 341 A N . 50712 1 306 . 1 . 1 67 67 THR H H 1 8.526 . . . . . . . . 342 T HN . 50712 1 307 . 1 . 1 67 67 THR C C 13 174.224 . . . . . . . . 342 T C . 50712 1 308 . 1 . 1 67 67 THR CA C 13 60.372 . . . . . . . . 342 T CA . 50712 1 309 . 1 . 1 67 67 THR CB C 13 71.601 . . . . . . . . 342 T CB . 50712 1 310 . 1 . 1 67 67 THR N N 15 113.219 . . . . . . . . 342 T N . 50712 1 311 . 1 . 1 68 68 LEU H H 1 8.786 . . . . . . . . 343 L HN . 50712 1 312 . 1 . 1 68 68 LEU C C 13 177.552 . . . . . . . . 343 L C . 50712 1 313 . 1 . 1 68 68 LEU CA C 13 58.326 . . . . . . . . 343 L CA . 50712 1 314 . 1 . 1 68 68 LEU CB C 13 41.356 . . . . . . . . 343 L CB . 50712 1 315 . 1 . 1 68 68 LEU N N 15 122.308 . . . . . . . . 343 L N . 50712 1 316 . 1 . 1 69 69 GLU H H 1 8.495 . . . . . . . . 344 E HN . 50712 1 317 . 1 . 1 69 69 GLU C C 13 178.023 . . . . . . . . 344 E C . 50712 1 318 . 1 . 1 69 69 GLU CA C 13 60.401 . . . . . . . . 344 E CA . 50712 1 319 . 1 . 1 69 69 GLU CB C 13 29.175 . . . . . . . . 344 E CB . 50712 1 320 . 1 . 1 69 69 GLU N N 15 117.479 . . . . . . . . 344 E N . 50712 1 321 . 1 . 1 70 70 GLU H H 1 7.637 . . . . . . . . 345 E HN . 50712 1 322 . 1 . 1 70 70 GLU C C 13 178.563 . . . . . . . . 345 E C . 50712 1 323 . 1 . 1 70 70 GLU CA C 13 59.311 . . . . . . . . 345 E CA . 50712 1 324 . 1 . 1 70 70 GLU CB C 13 29.682 . . . . . . . . 345 E CB . 50712 1 325 . 1 . 1 70 70 GLU N N 15 120.147 . . . . . . . . 345 E N . 50712 1 326 . 1 . 1 71 71 MET H H 1 8.334 . . . . . . . . 346 M HN . 50712 1 327 . 1 . 1 71 71 MET C C 13 175.410 . . . . . . . . 346 M C . 50712 1 328 . 1 . 1 71 71 MET CA C 13 59.836 . . . . . . . . 346 M CA . 50712 1 329 . 1 . 1 71 71 MET CB C 13 33.091 . . . . . . . . 346 M CB . 50712 1 330 . 1 . 1 71 71 MET N N 15 120.187 . . . . . . . . 346 M N . 50712 1 331 . 1 . 1 72 72 MET H H 1 8.555 . . . . . . . . 347 M HN . 50712 1 332 . 1 . 1 72 72 MET C C 13 177.598 . . . . . . . . 347 M C . 50712 1 333 . 1 . 1 72 72 MET CA C 13 59.217 . . . . . . . . 347 M CA . 50712 1 334 . 1 . 1 72 72 MET CB C 13 32.739 . . . . . . . . 347 M CB . 50712 1 335 . 1 . 1 72 72 MET N N 15 116.447 . . . . . . . . 347 M N . 50712 1 336 . 1 . 1 73 73 THR H H 1 7.952 . . . . . . . . 348 T HN . 50712 1 337 . 1 . 1 73 73 THR C C 13 174.854 . . . . . . . . 348 T C . 50712 1 338 . 1 . 1 73 73 THR CA C 13 66.079 . . . . . . . . 348 T CA . 50712 1 339 . 1 . 1 73 73 THR CB C 13 68.852 . . . . . . . . 348 T CB . 50712 1 340 . 1 . 1 73 73 THR N N 15 115.006 . . . . . . . . 348 T N . 50712 1 341 . 1 . 1 74 74 ALA H H 1 7.803 . . . . . . . . 349 A HN . 50712 1 342 . 1 . 1 74 74 ALA C C 13 177.979 . . . . . . . . 349 A C . 50712 1 343 . 1 . 1 74 74 ALA CA C 13 55.032 . . . . . . . . 349 A CA . 50712 1 344 . 1 . 1 74 74 ALA CB C 13 18.656 . . . . . . . . 349 A CB . 50712 1 345 . 1 . 1 74 74 ALA N N 15 123.677 . . . . . . . . 349 A N . 50712 1 346 . 1 . 1 75 75 CYS H H 1 7.502 . . . . . . . . 350 C HN . 50712 1 347 . 1 . 1 75 75 CYS C C 13 173.362 . . . . . . . . 350 C C . 50712 1 348 . 1 . 1 75 75 CYS CA C 13 57.209 . . . . . . . . 350 C CA . 50712 1 349 . 1 . 1 75 75 CYS CB C 13 40.262 . . . . . . . . 350 C CB . 50712 1 350 . 1 . 1 75 75 CYS N N 15 110.949 . . . . . . . . 350 C N . 50712 1 351 . 1 . 1 76 76 GLN H H 1 7.540 . . . . . . . . 351 Q HN . 50712 1 352 . 1 . 1 76 76 GLN C C 13 174.891 . . . . . . . . 351 Q C . 50712 1 353 . 1 . 1 76 76 GLN CA C 13 58.314 . . . . . . . . 351 Q CA . 50712 1 354 . 1 . 1 76 76 GLN CB C 13 28.794 . . . . . . . . 351 Q CB . 50712 1 355 . 1 . 1 76 76 GLN N N 15 120.936 . . . . . . . . 351 Q N . 50712 1 356 . 1 . 1 77 77 GLY H H 1 8.279 . . . . . . . . 352 G HN . 50712 1 357 . 1 . 1 77 77 GLY C C 13 172.915 . . . . . . . . 352 G C . 50712 1 358 . 1 . 1 77 77 GLY CA C 13 45.317 . . . . . . . . 352 G CA . 50712 1 359 . 1 . 1 77 77 GLY N N 15 108.330 . . . . . . . . 352 G N . 50712 1 360 . 1 . 1 78 78 VAL H H 1 7.486 . . . . . . . . 353 V HN . 50712 1 361 . 1 . 1 78 78 VAL C C 13 175.146 . . . . . . . . 353 V C . 50712 1 362 . 1 . 1 78 78 VAL CA C 13 62.927 . . . . . . . . 353 V CA . 50712 1 363 . 1 . 1 78 78 VAL CB C 13 32.276 . . . . . . . . 353 V CB . 50712 1 364 . 1 . 1 78 78 VAL N N 15 119.227 . . . . . . . . 353 V N . 50712 1 365 . 1 . 1 79 79 GLY H H 1 8.467 . . . . . . . . 354 G HN . 50712 1 366 . 1 . 1 79 79 GLY C C 13 172.707 . . . . . . . . 354 G C . 50712 1 367 . 1 . 1 79 79 GLY CA C 13 45.196 . . . . . . . . 354 G CA . 50712 1 368 . 1 . 1 79 79 GLY N N 15 113.549 . . . . . . . . 354 G N . 50712 1 369 . 1 . 1 80 80 GLY H H 1 7.969 . . . . . . . . 355 G HN . 50712 1 370 . 1 . 1 80 80 GLY C C 13 170.636 . . . . . . . . 355 G C . 50712 1 371 . 1 . 1 80 80 GLY CA C 13 44.640 . . . . . . . . 355 G CA . 50712 1 372 . 1 . 1 80 80 GLY N N 15 108.343 . . . . . . . . 355 G N . 50712 1 373 . 1 . 1 84 84 LYS C C 13 174.839 . . . . . . . . 359 K C . 50712 1 374 . 1 . 1 85 85 ALA H H 1 8.095 . . . . . . . . 360 A HN . 50712 1 375 . 1 . 1 85 85 ALA C C 13 176.545 . . . . . . . . 360 A C . 50712 1 376 . 1 . 1 85 85 ALA CA C 13 52.918 . . . . . . . . 360 A CA . 50712 1 377 . 1 . 1 85 85 ALA CB C 13 19.049 . . . . . . . . 360 A CB . 50712 1 378 . 1 . 1 85 85 ALA N N 15 124.149 . . . . . . . . 360 A N . 50712 1 379 . 1 . 1 86 86 ARG H H 1 8.098 . . . . . . . . 361 R HN . 50712 1 380 . 1 . 1 86 86 ARG C C 13 175.074 . . . . . . . . 361 R C . 50712 1 381 . 1 . 1 86 86 ARG CA C 13 56.761 . . . . . . . . 361 R CA . 50712 1 382 . 1 . 1 86 86 ARG CB C 13 30.685 . . . . . . . . 361 R CB . 50712 1 383 . 1 . 1 86 86 ARG N N 15 120.400 . . . . . . . . 361 R N . 50712 1 384 . 1 . 1 87 87 VAL H H 1 8.000 . . . . . . . . 362 V HN . 50712 1 385 . 1 . 1 87 87 VAL C C 13 175.119 . . . . . . . . 362 V C . 50712 1 386 . 1 . 1 87 87 VAL CA C 13 62.959 . . . . . . . . 362 V CA . 50712 1 387 . 1 . 1 87 87 VAL CB C 13 32.591 . . . . . . . . 362 V CB . 50712 1 388 . 1 . 1 87 87 VAL N N 15 121.133 . . . . . . . . 362 V N . 50712 1 389 . 1 . 1 88 88 LEU H H 1 8.114 . . . . . . . . 363 L HN . 50712 1 390 . 1 . 1 88 88 LEU C C 13 175.856 . . . . . . . . 363 L C . 50712 1 391 . 1 . 1 88 88 LEU CA C 13 55.558 . . . . . . . . 363 L CA . 50712 1 392 . 1 . 1 88 88 LEU CB C 13 42.182 . . . . . . . . 363 L CB . 50712 1 393 . 1 . 1 88 88 LEU N N 15 125.187 . . . . . . . . 363 L N . 50712 1 394 . 1 . 1 89 89 ALA H H 1 8.058 . . . . . . . . 364 A HN . 50712 1 395 . 1 . 1 89 89 ALA C C 13 176.927 . . . . . . . . 364 A C . 50712 1 396 . 1 . 1 89 89 ALA CA C 13 53.117 . . . . . . . . 364 A CA . 50712 1 397 . 1 . 1 89 89 ALA CB C 13 19.052 . . . . . . . . 364 A CB . 50712 1 398 . 1 . 1 89 89 ALA N N 15 123.856 . . . . . . . . 364 A N . 50712 1 399 . 1 . 1 90 90 GLU H H 1 8.185 . . . . . . . . 365 E HN . 50712 1 400 . 1 . 1 90 90 GLU C C 13 175.406 . . . . . . . . 365 E C . 50712 1 401 . 1 . 1 90 90 GLU CA C 13 57.187 . . . . . . . . 365 E CA . 50712 1 402 . 1 . 1 90 90 GLU CB C 13 30.078 . . . . . . . . 365 E CB . 50712 1 403 . 1 . 1 90 90 GLU N N 15 119.357 . . . . . . . . 365 E N . 50712 1 404 . 1 . 1 91 91 ALA H H 1 8.054 . . . . . . . . 366 A HN . 50712 1 405 . 1 . 1 91 91 ALA C C 13 176.782 . . . . . . . . 366 A C . 50712 1 406 . 1 . 1 91 91 ALA CA C 13 53.107 . . . . . . . . 366 A CA . 50712 1 407 . 1 . 1 91 91 ALA CB C 13 18.984 . . . . . . . . 366 A CB . 50712 1 408 . 1 . 1 91 91 ALA N N 15 123.856 . . . . . . . . 366 A N . 50712 1 409 . 1 . 1 92 92 MET H H 1 8.082 . . . . . . . . 367 M HN . 50712 1 410 . 1 . 1 92 92 MET C C 13 175.112 . . . . . . . . 367 M C . 50712 1 411 . 1 . 1 92 92 MET CA C 13 55.837 . . . . . . . . 367 M CA . 50712 1 412 . 1 . 1 92 92 MET CB C 13 32.777 . . . . . . . . 367 M CB . 50712 1 413 . 1 . 1 92 92 MET N N 15 118.199 . . . . . . . . 367 M N . 50712 1 414 . 1 . 1 93 93 SER H H 1 8.032 . . . . . . . . 368 S HN . 50712 1 415 . 1 . 1 93 93 SER C C 13 173.062 . . . . . . . . 368 S C . 50712 1 416 . 1 . 1 93 93 SER CA C 13 58.707 . . . . . . . . 368 S CA . 50712 1 417 . 1 . 1 93 93 SER CB C 13 63.782 . . . . . . . . 368 S CB . 50712 1 418 . 1 . 1 93 93 SER N N 15 116.025 . . . . . . . . 368 S N . 50712 1 419 . 1 . 1 94 94 GLN H H 1 8.169 . . . . . . . . 369 Q HN . 50712 1 420 . 1 . 1 94 94 GLN C C 13 174.463 . . . . . . . . 369 Q C . 50712 1 421 . 1 . 1 94 94 GLN CA C 13 55.967 . . . . . . . . 369 Q CA . 50712 1 422 . 1 . 1 94 94 GLN CB C 13 29.424 . . . . . . . . 369 Q CB . 50712 1 423 . 1 . 1 94 94 GLN N N 15 121.533 . . . . . . . . 369 Q N . 50712 1 424 . 1 . 1 95 95 VAL H H 1 7.955 . . . . . . . . 370 V HN . 50712 1 425 . 1 . 1 95 95 VAL C C 13 174.769 . . . . . . . . 370 V C . 50712 1 426 . 1 . 1 95 95 VAL CA C 13 62.481 . . . . . . . . 370 V CA . 50712 1 427 . 1 . 1 95 95 VAL CB C 13 32.705 . . . . . . . . 370 V CB . 50712 1 428 . 1 . 1 95 95 VAL N N 15 120.355 . . . . . . . . 370 V N . 50712 1 429 . 1 . 1 96 96 THR H H 1 8.055 . . . . . . . . 371 T HN . 50712 1 430 . 1 . 1 96 96 THR C C 13 172.324 . . . . . . . . 371 T C . 50712 1 431 . 1 . 1 96 96 THR CA C 13 61.918 . . . . . . . . 371 T CA . 50712 1 432 . 1 . 1 96 96 THR CB C 13 69.816 . . . . . . . . 371 T CB . 50712 1 433 . 1 . 1 96 96 THR N N 15 117.416 . . . . . . . . 371 T N . 50712 1 434 . 1 . 1 98 98 PRO C C 13 175.421 . . . . . . . . 373 P C . 50712 1 435 . 1 . 1 98 98 PRO CA C 13 63.798 . . . . . . . . 373 P CA . 50712 1 436 . 1 . 1 98 98 PRO CB C 13 32.149 . . . . . . . . 373 P CB . 50712 1 437 . 1 . 1 99 99 ALA H H 1 8.148 . . . . . . . . 374 A HN . 50712 1 438 . 1 . 1 99 99 ALA C C 13 176.881 . . . . . . . . 374 A C . 50712 1 439 . 1 . 1 99 99 ALA CA C 13 53.056 . . . . . . . . 374 A CA . 50712 1 440 . 1 . 1 99 99 ALA CB C 13 18.944 . . . . . . . . 374 A CB . 50712 1 441 . 1 . 1 99 99 ALA N N 15 122.039 . . . . . . . . 374 A N . 50712 1 442 . 1 . 1 100 100 THR H H 1 7.816 . . . . . . . . 375 T HN . 50712 1 443 . 1 . 1 100 100 THR C C 13 173.273 . . . . . . . . 375 T C . 50712 1 444 . 1 . 1 100 100 THR CA C 13 62.548 . . . . . . . . 375 T CA . 50712 1 445 . 1 . 1 100 100 THR CB C 13 69.581 . . . . . . . . 375 T CB . 50712 1 446 . 1 . 1 100 100 THR N N 15 112.386 . . . . . . . . 375 T N . 50712 1 447 . 1 . 1 101 101 ILE H H 1 7.769 . . . . . . . . 376 I HN . 50712 1 448 . 1 . 1 101 101 ILE C C 13 174.645 . . . . . . . . 376 I C . 50712 1 449 . 1 . 1 101 101 ILE CA C 13 61.606 . . . . . . . . 376 I CA . 50712 1 450 . 1 . 1 101 101 ILE CB C 13 38.631 . . . . . . . . 376 I CB . 50712 1 451 . 1 . 1 101 101 ILE N N 15 122.399 . . . . . . . . 376 I N . 50712 1 452 . 1 . 1 102 102 MET H H 1 8.134 . . . . . . . . 377 M HN . 50712 1 453 . 1 . 1 102 102 MET C C 13 174.760 . . . . . . . . 377 M C . 50712 1 454 . 1 . 1 102 102 MET CA C 13 55.723 . . . . . . . . 377 M CA . 50712 1 455 . 1 . 1 102 102 MET CB C 13 32.726 . . . . . . . . 377 M CB . 50712 1 456 . 1 . 1 102 102 MET N N 15 123.267 . . . . . . . . 377 M N . 50712 1 457 . 1 . 1 103 103 ILE H H 1 7.922 . . . . . . . . 378 I HN . 50712 1 458 . 1 . 1 103 103 ILE C C 13 174.852 . . . . . . . . 378 I C . 50712 1 459 . 1 . 1 103 103 ILE CA C 13 61.469 . . . . . . . . 378 I CA . 50712 1 460 . 1 . 1 103 103 ILE CB C 13 38.643 . . . . . . . . 378 I CB . 50712 1 461 . 1 . 1 103 103 ILE N N 15 122.037 . . . . . . . . 378 I N . 50712 1 462 . 1 . 1 104 104 GLN H H 1 8.245 . . . . . . . . 379 Q HN . 50712 1 463 . 1 . 1 104 104 GLN C C 13 174.485 . . . . . . . . 379 Q C . 50712 1 464 . 1 . 1 104 104 GLN CA C 13 55.996 . . . . . . . . 379 Q CA . 50712 1 465 . 1 . 1 104 104 GLN CB C 13 29.299 . . . . . . . . 379 Q CB . 50712 1 466 . 1 . 1 104 104 GLN N N 15 123.840 . . . . . . . . 379 Q N . 50712 1 467 . 1 . 1 105 105 LYS H H 1 8.231 . . . . . . . . 380 K HN . 50712 1 468 . 1 . 1 105 105 LYS CA C 13 56.549 . . . . . . . . 380 K CA . 50712 1 469 . 1 . 1 105 105 LYS N N 15 122.071 . . . . . . . . 380 K N . 50712 1 470 . 1 . 1 111 111 GLN C C 13 173.232 . . . . . . . . 386 Q C . 50712 1 471 . 1 . 1 112 112 ARG H H 1 8.252 . . . . . . . . 387 R HN . 50712 1 472 . 1 . 1 112 112 ARG C C 13 174.927 . . . . . . . . 387 R C . 50712 1 473 . 1 . 1 112 112 ARG CA C 13 56.676 . . . . . . . . 387 R CA . 50712 1 474 . 1 . 1 112 112 ARG CB C 13 30.390 . . . . . . . . 387 R CB . 50712 1 475 . 1 . 1 112 112 ARG N N 15 122.952 . . . . . . . . 387 R N . 50712 1 476 . 1 . 1 113 113 LYS H H 1 8.064 . . . . . . . . 388 K HN . 50712 1 477 . 1 . 1 113 113 LYS C C 13 174.782 . . . . . . . . 388 K C . 50712 1 478 . 1 . 1 113 113 LYS CA C 13 62.531 . . . . . . . . 388 K CA . 50712 1 479 . 1 . 1 113 113 LYS CB C 13 32.648 . . . . . . . . 388 K CB . 50712 1 480 . 1 . 1 113 113 LYS N N 15 122.176 . . . . . . . . 388 K N . 50712 1 481 . 1 . 1 114 114 THR H H 1 8.054 . . . . . . . . 389 T HN . 50712 1 482 . 1 . 1 114 114 THR C C 13 172.567 . . . . . . . . 389 T C . 50712 1 483 . 1 . 1 114 114 THR CA C 13 61.730 . . . . . . . . 389 T CA . 50712 1 484 . 1 . 1 114 114 THR CB C 13 70.075 . . . . . . . . 389 T CB . 50712 1 485 . 1 . 1 114 114 THR N N 15 117.494 . . . . . . . . 389 T N . 50712 1 486 . 1 . 1 115 115 VAL H H 1 8.272 . . . . . . . . 390 V HN . 50712 1 487 . 1 . 1 115 115 VAL C C 13 172.806 . . . . . . . . 390 V C . 50712 1 488 . 1 . 1 115 115 VAL CA C 13 61.589 . . . . . . . . 390 V CA . 50712 1 489 . 1 . 1 115 115 VAL CB C 13 33.017 . . . . . . . . 390 V CB . 50712 1 490 . 1 . 1 115 115 VAL N N 15 123.014 . . . . . . . . 390 V N . 50712 1 491 . 1 . 1 116 116 LYS H H 1 8.012 . . . . . . . . 391 K HN . 50712 1 492 . 1 . 1 116 116 LYS C C 13 172.949 . . . . . . . . 391 K C . 50712 1 493 . 1 . 1 116 116 LYS CA C 13 54.974 . . . . . . . . 391 K CA . 50712 1 494 . 1 . 1 116 116 LYS CB C 13 35.488 . . . . . . . . 391 K CB . 50712 1 495 . 1 . 1 116 116 LYS N N 15 124.517 . . . . . . . . 391 K N . 50712 1 496 . 1 . 1 117 117 CYS H H 1 8.135 . . . . . . . . 392 C HN . 50712 1 497 . 1 . 1 117 117 CYS C C 13 176.918 . . . . . . . . 392 C C . 50712 1 498 . 1 . 1 117 117 CYS CA C 13 59.320 . . . . . . . . 392 C CA . 50712 1 499 . 1 . 1 117 117 CYS CB C 13 30.118 . . . . . . . . 392 C CB . 50712 1 500 . 1 . 1 117 117 CYS N N 15 127.076 . . . . . . . . 392 C N . 50712 1 501 . 1 . 1 118 118 PHE H H 1 8.455 . . . . . . . . 393 F HN . 50712 1 502 . 1 . 1 118 118 PHE C C 13 174.182 . . . . . . . . 393 F C . 50712 1 503 . 1 . 1 118 118 PHE CA C 13 59.000 . . . . . . . . 393 F CA . 50712 1 504 . 1 . 1 118 118 PHE CB C 13 38.728 . . . . . . . . 393 F CB . 50712 1 505 . 1 . 1 118 118 PHE N N 15 128.245 . . . . . . . . 393 F N . 50712 1 506 . 1 . 1 119 119 ASN H H 1 9.435 . . . . . . . . 394 N HN . 50712 1 507 . 1 . 1 119 119 ASN HD21 H 1 6.697 . . . . . . . . 394 N HD21 . 50712 1 508 . 1 . 1 119 119 ASN C C 13 173.874 . . . . . . . . 394 N C . 50712 1 509 . 1 . 1 119 119 ASN CA C 13 56.799 . . . . . . . . 394 N CA . 50712 1 510 . 1 . 1 119 119 ASN CB C 13 40.251 . . . . . . . . 394 N CB . 50712 1 511 . 1 . 1 119 119 ASN N N 15 121.665 . . . . . . . . 394 N N . 50712 1 512 . 1 . 1 119 119 ASN ND2 N 15 117.559 . . . . . . . . 394 N ND2 . 50712 1 513 . 1 . 1 120 120 CYS H H 1 8.761 . . . . . . . . 395 C HN . 50712 1 514 . 1 . 1 120 120 CYS C C 13 174.871 . . . . . . . . 395 C C . 50712 1 515 . 1 . 1 120 120 CYS CA C 13 58.665 . . . . . . . . 395 C CA . 50712 1 516 . 1 . 1 120 120 CYS CB C 13 32.317 . . . . . . . . 395 C CB . 50712 1 517 . 1 . 1 120 120 CYS N N 15 117.168 . . . . . . . . 395 C N . 50712 1 518 . 1 . 1 121 121 GLY H H 1 7.771 . . . . . . . . 396 G HN . 50712 1 519 . 1 . 1 121 121 GLY C C 13 172.236 . . . . . . . . 396 G C . 50712 1 520 . 1 . 1 121 121 GLY CA C 13 46.285 . . . . . . . . 396 G CA . 50712 1 521 . 1 . 1 121 121 GLY N N 15 113.244 . . . . . . . . 396 G N . 50712 1 522 . 1 . 1 122 122 LYS H H 1 8.007 . . . . . . . . 397 K HN . 50712 1 523 . 1 . 1 122 122 LYS C C 13 174.172 . . . . . . . . 397 K C . 50712 1 524 . 1 . 1 122 122 LYS CA C 13 56.009 . . . . . . . . 397 K CA . 50712 1 525 . 1 . 1 122 122 LYS CB C 13 33.836 . . . . . . . . 397 K CB . 50712 1 526 . 1 . 1 122 122 LYS N N 15 120.768 . . . . . . . . 397 K N . 50712 1 527 . 1 . 1 123 123 GLU H H 1 8.270 . . . . . . . . 398 E HN . 50712 1 528 . 1 . 1 123 123 GLU C C 13 177.069 . . . . . . . . 398 E C . 50712 1 529 . 1 . 1 123 123 GLU CA C 13 56.027 . . . . . . . . 398 E CA . 50712 1 530 . 1 . 1 123 123 GLU CB C 13 31.130 . . . . . . . . 398 E CB . 50712 1 531 . 1 . 1 123 123 GLU N N 15 118.017 . . . . . . . . 398 E N . 50712 1 532 . 1 . 1 124 124 GLY H H 1 8.523 . . . . . . . . 399 G HN . 50712 1 533 . 1 . 1 124 124 GLY C C 13 172.236 . . . . . . . . 399 G C . 50712 1 534 . 1 . 1 124 124 GLY CA C 13 45.719 . . . . . . . . 399 G CA . 50712 1 535 . 1 . 1 124 124 GLY N N 15 107.337 . . . . . . . . 399 G N . 50712 1 536 . 1 . 1 125 125 HIS H H 1 7.072 . . . . . . . . 400 H HN . 50712 1 537 . 1 . 1 125 125 HIS C C 13 169.535 . . . . . . . . 400 H C . 50712 1 538 . 1 . 1 125 125 HIS CA C 13 55.172 . . . . . . . . 400 H CA . 50712 1 539 . 1 . 1 125 125 HIS CB C 13 30.294 . . . . . . . . 400 H CB . 50712 1 540 . 1 . 1 125 125 HIS N N 15 113.963 . . . . . . . . 400 H N . 50712 1 541 . 1 . 1 126 126 ILE H H 1 7.720 . . . . . . . . 401 I HN . 50712 1 542 . 1 . 1 126 126 ILE C C 13 176.801 . . . . . . . . 401 I C . 50712 1 543 . 1 . 1 126 126 ILE CA C 13 59.285 . . . . . . . . 401 I CA . 50712 1 544 . 1 . 1 126 126 ILE CB C 13 40.946 . . . . . . . . 401 I CB . 50712 1 545 . 1 . 1 126 126 ILE N N 15 108.145 . . . . . . . . 401 I N . 50712 1 546 . 1 . 1 127 127 ALA H H 1 8.632 . . . . . . . . 402 A HN . 50712 1 547 . 1 . 1 127 127 ALA C C 13 178.975 . . . . . . . . 402 A C . 50712 1 548 . 1 . 1 127 127 ALA CA C 13 56.124 . . . . . . . . 402 A CA . 50712 1 549 . 1 . 1 127 127 ALA CB C 13 18.575 . . . . . . . . 402 A CB . 50712 1 550 . 1 . 1 127 127 ALA N N 15 124.549 . . . . . . . . 402 A N . 50712 1 551 . 1 . 1 128 128 LYS H H 1 8.120 . . . . . . . . 403 K HN . 50712 1 552 . 1 . 1 128 128 LYS C C 13 175.070 . . . . . . . . 403 K C . 50712 1 553 . 1 . 1 128 128 LYS CA C 13 58.797 . . . . . . . . 403 K CA . 50712 1 554 . 1 . 1 128 128 LYS CB C 13 32.461 . . . . . . . . 403 K CB . 50712 1 555 . 1 . 1 128 128 LYS N N 15 116.941 . . . . . . . . 403 K N . 50712 1 556 . 1 . 1 129 129 ASN H H 1 7.792 . . . . . . . . 404 N HN . 50712 1 557 . 1 . 1 129 129 ASN C C 13 172.284 . . . . . . . . 404 N C . 50712 1 558 . 1 . 1 129 129 ASN CA C 13 51.896 . . . . . . . . 404 N CA . 50712 1 559 . 1 . 1 129 129 ASN CB C 13 40.003 . . . . . . . . 404 N CB . 50712 1 560 . 1 . 1 129 129 ASN N N 15 114.038 . . . . . . . . 404 N N . 50712 1 561 . 1 . 1 130 130 CYS H H 1 7.565 . . . . . . . . 405 C HN . 50712 1 562 . 1 . 1 130 130 CYS C C 13 175.089 . . . . . . . . 405 C C . 50712 1 563 . 1 . 1 130 130 CYS CA C 13 62.284 . . . . . . . . 405 C CA . 50712 1 564 . 1 . 1 130 130 CYS CB C 13 31.037 . . . . . . . . 405 C CB . 50712 1 565 . 1 . 1 130 130 CYS N N 15 124.136 . . . . . . . . 405 C N . 50712 1 566 . 1 . 1 131 131 ARG C C 13 174.390 . . . . . . . . 406 R C . 50712 1 567 . 1 . 1 131 131 ARG CA C 13 55.320 . . . . . . . . 406 R CA . 50712 1 568 . 1 . 1 131 131 ARG CB C 13 30.252 . . . . . . . . 406 R CB . 50712 1 569 . 1 . 1 132 132 ALA H H 1 8.625 . . . . . . . . 407 A HN . 50712 1 570 . 1 . 1 132 132 ALA C C 13 173.027 . . . . . . . . 407 A C . 50712 1 571 . 1 . 1 132 132 ALA CA C 13 51.050 . . . . . . . . 407 A CA . 50712 1 572 . 1 . 1 132 132 ALA CB C 13 18.084 . . . . . . . . 407 A CB . 50712 1 573 . 1 . 1 132 132 ALA N N 15 127.978 . . . . . . . . 407 A N . 50712 1 574 . 1 . 1 133 133 PRO CA C 13 62.881 . . . . . . . . 408 P CA . 50712 1 575 . 1 . 1 133 133 PRO CB C 13 31.913 . . . . . . . . 408 P CB . 50712 1 576 . 1 . 1 134 134 ARG H H 1 8.321 . . . . . . . . 409 R HN . 50712 1 577 . 1 . 1 134 134 ARG C C 13 175.382 . . . . . . . . 409 R C . 50712 1 578 . 1 . 1 134 134 ARG CA C 13 55.985 . . . . . . . . 409 R CA . 50712 1 579 . 1 . 1 134 134 ARG CB C 13 30.394 . . . . . . . . 409 R CB . 50712 1 580 . 1 . 1 134 134 ARG N N 15 122.821 . . . . . . . . 409 R N . 50712 1 581 . 1 . 1 135 135 LYS H H 1 8.509 . . . . . . . . 410 K HN . 50712 1 582 . 1 . 1 135 135 LYS C C 13 174.808 . . . . . . . . 410 K C . 50712 1 583 . 1 . 1 135 135 LYS CA C 13 56.272 . . . . . . . . 410 K CA . 50712 1 584 . 1 . 1 135 135 LYS CB C 13 33.286 . . . . . . . . 410 K CB . 50712 1 585 . 1 . 1 135 135 LYS N N 15 125.886 . . . . . . . . 410 K N . 50712 1 586 . 1 . 1 136 136 LYS H H 1 8.304 . . . . . . . . 411 K HN . 50712 1 587 . 1 . 1 136 136 LYS C C 13 174.930 . . . . . . . . 411 K C . 50712 1 588 . 1 . 1 136 136 LYS CA C 13 56.394 . . . . . . . . 411 K CA . 50712 1 589 . 1 . 1 136 136 LYS CB C 13 33.411 . . . . . . . . 411 K CB . 50712 1 590 . 1 . 1 136 136 LYS N N 15 122.833 . . . . . . . . 411 K N . 50712 1 591 . 1 . 1 137 137 GLY H H 1 8.038 . . . . . . . . 412 G HN . 50712 1 592 . 1 . 1 137 137 GLY C C 13 171.169 . . . . . . . . 412 G C . 50712 1 593 . 1 . 1 137 137 GLY CA C 13 44.430 . . . . . . . . 412 G CA . 50712 1 594 . 1 . 1 137 137 GLY N N 15 108.927 . . . . . . . . 412 G N . 50712 1 595 . 1 . 1 138 138 CYS H H 1 8.063 . . . . . . . . 413 C HN . 50712 1 596 . 1 . 1 138 138 CYS C C 13 177.251 . . . . . . . . 413 C C . 50712 1 597 . 1 . 1 138 138 CYS CA C 13 59.917 . . . . . . . . 413 C CA . 50712 1 598 . 1 . 1 138 138 CYS CB C 13 30.541 . . . . . . . . 413 C CB . 50712 1 599 . 1 . 1 138 138 CYS N N 15 124.107 . . . . . . . . 413 C N . 50712 1 600 . 1 . 1 139 139 TRP H H 1 8.317 . . . . . . . . 414 W HN . 50712 1 601 . 1 . 1 139 139 TRP HE1 H 1 10.025 . . . . . . . . 414 W HE1 . 50712 1 602 . 1 . 1 139 139 TRP C C 13 174.887 . . . . . . . . 414 W C . 50712 1 603 . 1 . 1 139 139 TRP CA C 13 58.586 . . . . . . . . 414 W CA . 50712 1 604 . 1 . 1 139 139 TRP CB C 13 29.595 . . . . . . . . 414 W CB . 50712 1 605 . 1 . 1 139 139 TRP N N 15 129.368 . . . . . . . . 414 W N . 50712 1 606 . 1 . 1 139 139 TRP NE1 N 15 128.928 . . . . . . . . 414 W NE1 . 50712 1 607 . 1 . 1 140 140 LYS H H 1 9.271 . . . . . . . . 415 K HN . 50712 1 608 . 1 . 1 140 140 LYS C C 13 175.683 . . . . . . . . 415 K C . 50712 1 609 . 1 . 1 140 140 LYS CA C 13 59.119 . . . . . . . . 415 K CA . 50712 1 610 . 1 . 1 140 140 LYS CB C 13 33.829 . . . . . . . . 415 K CB . 50712 1 611 . 1 . 1 140 140 LYS N N 15 122.817 . . . . . . . . 415 K N . 50712 1 612 . 1 . 1 141 141 CYS H H 1 8.402 . . . . . . . . 416 C HN . 50712 1 613 . 1 . 1 141 141 CYS C C 13 175.160 . . . . . . . . 416 C C . 50712 1 614 . 1 . 1 141 141 CYS CA C 13 58.700 . . . . . . . . 416 C CA . 50712 1 615 . 1 . 1 141 141 CYS CB C 13 32.609 . . . . . . . . 416 C CB . 50712 1 616 . 1 . 1 141 141 CYS N N 15 117.027 . . . . . . . . 416 C N . 50712 1 617 . 1 . 1 142 142 GLY H H 1 8.033 . . . . . . . . 417 G HN . 50712 1 618 . 1 . 1 142 142 GLY C C 13 172.590 . . . . . . . . 417 G C . 50712 1 619 . 1 . 1 142 142 GLY CA C 13 46.281 . . . . . . . . 417 G CA . 50712 1 620 . 1 . 1 142 142 GLY N N 15 113.646 . . . . . . . . 417 G N . 50712 1 621 . 1 . 1 143 143 LYS H H 1 8.319 . . . . . . . . 418 K HN . 50712 1 622 . 1 . 1 143 143 LYS C C 13 174.873 . . . . . . . . 418 K C . 50712 1 623 . 1 . 1 143 143 LYS CA C 13 56.684 . . . . . . . . 418 K CA . 50712 1 624 . 1 . 1 143 143 LYS CB C 13 33.714 . . . . . . . . 418 K CB . 50712 1 625 . 1 . 1 143 143 LYS N N 15 122.152 . . . . . . . . 418 K N . 50712 1 626 . 1 . 1 144 144 GLU H H 1 8.367 . . . . . . . . 419 E HN . 50712 1 627 . 1 . 1 144 144 GLU CA C 13 56.679 . . . . . . . . 419 E CA . 50712 1 628 . 1 . 1 144 144 GLU CB C 13 30.898 . . . . . . . . 419 E CB . 50712 1 629 . 1 . 1 144 144 GLU N N 15 118.689 . . . . . . . . 419 E N . 50712 1 630 . 1 . 1 145 145 GLY C C 13 172.102 . . . . . . . . 420 G C . 50712 1 631 . 1 . 1 145 145 GLY CA C 13 45.821 . . . . . . . . 420 G CA . 50712 1 632 . 1 . 1 146 146 HIS H H 1 7.044 . . . . . . . . 421 H HN . 50712 1 633 . 1 . 1 146 146 HIS C C 13 170.899 . . . . . . . . 421 H C . 50712 1 634 . 1 . 1 146 146 HIS CA C 13 55.302 . . . . . . . . 421 H CA . 50712 1 635 . 1 . 1 146 146 HIS CB C 13 30.454 . . . . . . . . 421 H CB . 50712 1 636 . 1 . 1 146 146 HIS N N 15 112.770 . . . . . . . . 421 H N . 50712 1 637 . 1 . 1 147 147 GLN H H 1 8.790 . . . . . . . . 422 Q HN . 50712 1 638 . 1 . 1 147 147 GLN C C 13 176.212 . . . . . . . . 422 Q C . 50712 1 639 . 1 . 1 147 147 GLN CA C 13 54.141 . . . . . . . . 422 Q CA . 50712 1 640 . 1 . 1 147 147 GLN CB C 13 31.372 . . . . . . . . 422 Q CB . 50712 1 641 . 1 . 1 147 147 GLN N N 15 116.816 . . . . . . . . 422 Q N . 50712 1 642 . 1 . 1 148 148 MET H H 1 8.758 . . . . . . . . 423 M HN . 50712 1 643 . 1 . 1 148 148 MET C C 13 176.839 . . . . . . . . 423 M C . 50712 1 644 . 1 . 1 148 148 MET CA C 13 60.095 . . . . . . . . 423 M CA . 50712 1 645 . 1 . 1 148 148 MET CB C 13 32.827 . . . . . . . . 423 M CB . 50712 1 646 . 1 . 1 148 148 MET N N 15 121.717 . . . . . . . . 423 M N . 50712 1 647 . 1 . 1 149 149 LYS H H 1 8.404 . . . . . . . . 424 K HN . 50712 1 648 . 1 . 1 149 149 LYS C C 13 174.573 . . . . . . . . 424 K C . 50712 1 649 . 1 . 1 149 149 LYS CA C 13 58.581 . . . . . . . . 424 K CA . 50712 1 650 . 1 . 1 149 149 LYS CB C 13 31.498 . . . . . . . . 424 K CB . 50712 1 651 . 1 . 1 149 149 LYS N N 15 118.287 . . . . . . . . 424 K N . 50712 1 652 . 1 . 1 150 150 ASP H H 1 7.736 . . . . . . . . 425 D HN . 50712 1 653 . 1 . 1 150 150 ASP C C 13 173.437 . . . . . . . . 425 D C . 50712 1 654 . 1 . 1 150 150 ASP CA C 13 53.667 . . . . . . . . 425 D CA . 50712 1 655 . 1 . 1 150 150 ASP CB C 13 42.655 . . . . . . . . 425 D CB . 50712 1 656 . 1 . 1 150 150 ASP N N 15 117.486 . . . . . . . . 425 D N . 50712 1 657 . 1 . 1 151 151 CYS H H 1 7.475 . . . . . . . . 426 C HN . 50712 1 658 . 1 . 1 151 151 CYS C C 13 175.673 . . . . . . . . 426 C C . 50712 1 659 . 1 . 1 151 151 CYS CA C 13 62.718 . . . . . . . . 426 C CA . 50712 1 660 . 1 . 1 151 151 CYS CB C 13 30.831 . . . . . . . . 426 C CB . 50712 1 661 . 1 . 1 151 151 CYS N N 15 123.527 . . . . . . . . 426 C N . 50712 1 662 . 1 . 1 152 152 THR H H 1 8.053 . . . . . . . . 427 T HN . 50712 1 663 . 1 . 1 152 152 THR C C 13 173.436 . . . . . . . . 427 T C . 50712 1 664 . 1 . 1 152 152 THR CA C 13 61.581 . . . . . . . . 427 T CA . 50712 1 665 . 1 . 1 152 152 THR CB C 13 69.379 . . . . . . . . 427 T CB . 50712 1 666 . 1 . 1 152 152 THR N N 15 119.586 . . . . . . . . 427 T N . 50712 1 667 . 1 . 1 153 153 GLU H H 1 8.529 . . . . . . . . 428 E HN . 50712 1 668 . 1 . 1 153 153 GLU C C 13 175.057 . . . . . . . . 428 E C . 50712 1 669 . 1 . 1 153 153 GLU CA C 13 56.921 . . . . . . . . 428 E CA . 50712 1 670 . 1 . 1 153 153 GLU CB C 13 29.983 . . . . . . . . 428 E CB . 50712 1 671 . 1 . 1 153 153 GLU N N 15 125.467 . . . . . . . . 428 E N . 50712 1 672 . 1 . 1 154 154 ARG H H 1 8.286 . . . . . . . . 429 R HN . 50712 1 673 . 1 . 1 154 154 ARG C C 13 174.635 . . . . . . . . 429 R C . 50712 1 674 . 1 . 1 154 154 ARG CA C 13 56.060 . . . . . . . . 429 R CA . 50712 1 675 . 1 . 1 154 154 ARG CB C 13 30.895 . . . . . . . . 429 R CB . 50712 1 676 . 1 . 1 154 154 ARG N N 15 122.822 . . . . . . . . 429 R N . 50712 1 677 . 1 . 1 155 155 GLN H H 1 8.336 . . . . . . . . 430 Q HN . 50712 1 678 . 1 . 1 155 155 GLN C C 13 173.832 . . . . . . . . 430 Q C . 50712 1 679 . 1 . 1 155 155 GLN CA C 13 55.853 . . . . . . . . 430 Q CA . 50712 1 680 . 1 . 1 155 155 GLN CB C 13 29.594 . . . . . . . . 430 Q CB . 50712 1 681 . 1 . 1 155 155 GLN N N 15 121.670 . . . . . . . . 430 Q N . 50712 1 682 . 1 . 1 156 156 ALA H H 1 8.260 . . . . . . . . 431 A HN . 50712 1 683 . 1 . 1 156 156 ALA C C 13 174.902 . . . . . . . . 431 A C . 50712 1 684 . 1 . 1 156 156 ALA CA C 13 52.411 . . . . . . . . 431 A CA . 50712 1 685 . 1 . 1 156 156 ALA CB C 13 19.519 . . . . . . . . 431 A CB . 50712 1 686 . 1 . 1 156 156 ALA N N 15 126.137 . . . . . . . . 431 A N . 50712 1 687 . 1 . 1 157 157 ASN H H 1 7.877 . . . . . . . . 432 N HN . 50712 1 688 . 1 . 1 157 157 ASN C C 13 177.974 . . . . . . . . 432 N C . 50712 1 689 . 1 . 1 157 157 ASN CA C 13 54.766 . . . . . . . . 432 N CA . 50712 1 690 . 1 . 1 157 157 ASN CB C 13 40.538 . . . . . . . . 432 N CB . 50712 1 691 . 1 . 1 157 157 ASN N N 15 123.417 . . . . . . . . 432 N N . 50712 1 stop_ save_