data_26920 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26920 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of the TPR2B domain of mouse STI1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-19 _Entry.Accession_date 2016-10-19 _Entry.Last_release_date 2016-10-19 _Entry.Original_release_date 2016-10-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Wing-Yiu Choy . . . . 26920 2 Andrzej Maciejewski . . . . 26920 3 Marco Prado . A. . . 26920 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26920 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 26920 '15N chemical shifts' 122 26920 '1H chemical shifts' 122 26920 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 . . 2017-08-11 . original BMRB . 26920 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18689 'Backbone 1H, 13C, and 15N backbone resonance assignments of the TPR2A domain of mouse STI1' 26920 BMRB 18691 'Backbone 1H, 13C, and 15N backbone resonance assignments of the TPR1 domain of mouse STI1' 26920 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26920 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1042/BCJ20161055 _Citation.PubMed_ID 28408431 _Citation.Full_citation . _Citation.Title ; Molecular basis for the interaction between stress-inducible phosphoprotein 1 (STIP1) and S100A1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 474 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1470-8728 _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 1853 _Citation.Page_last 1866 _Citation.Year 2017 _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 Andrzej Maciejewski A. . . . 26920 1 2 Vania Prado V. F. . . 26920 1 3 Marco Prado . . . . 26920 1 4 Wing-Yiu Choy W. Y. . . 26920 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26920 1 STI1 26920 1 TPR2B 26920 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26920 _Assembly.ID 1 _Assembly.Name TPR2B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15795.8 _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 TPR2B 1 $TPR2B A . yes native no no . . . 26920 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2LNI . . 'solution NMR' . . . 26920 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TPR2B _Entity.Sf_category entity _Entity.Sf_framecode TPR2B _Entity.Entry_ID 26920 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TPR2B _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 ; GQERLAYINPDLALEEKNKG NECFQKGDYPQAMKHYTEAI KRNPRDAKLYSNRAACYTKL LEFQLALKDCEECIQLEPTF IKGYTRKAAALEAMKDYTKA MDVYQKALDLDSSCKEAADG YQRCMMAQYNRHDSPED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal glycine is a non-native residue from a TEV recognition site' _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'TPR2B domain of STIP1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15795.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID co-chaperone 26920 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 1 348 GLY . 26920 1 2 349 GLN . 26920 1 3 350 GLU . 26920 1 4 351 ARG . 26920 1 5 352 LEU . 26920 1 6 353 ALA . 26920 1 7 354 TYR . 26920 1 8 355 ILE . 26920 1 9 356 ASN . 26920 1 10 357 PRO . 26920 1 11 358 ASP . 26920 1 12 359 LEU . 26920 1 13 360 ALA . 26920 1 14 361 LEU . 26920 1 15 362 GLU . 26920 1 16 363 GLU . 26920 1 17 364 LYS . 26920 1 18 365 ASN . 26920 1 19 366 LYS . 26920 1 20 367 GLY . 26920 1 21 368 ASN . 26920 1 22 369 GLU . 26920 1 23 370 CYS . 26920 1 24 371 PHE . 26920 1 25 372 GLN . 26920 1 26 373 LYS . 26920 1 27 374 GLY . 26920 1 28 375 ASP . 26920 1 29 376 TYR . 26920 1 30 377 PRO . 26920 1 31 378 GLN . 26920 1 32 379 ALA . 26920 1 33 380 MET . 26920 1 34 381 LYS . 26920 1 35 382 HIS . 26920 1 36 383 TYR . 26920 1 37 384 THR . 26920 1 38 385 GLU . 26920 1 39 386 ALA . 26920 1 40 387 ILE . 26920 1 41 388 LYS . 26920 1 42 389 ARG . 26920 1 43 390 ASN . 26920 1 44 391 PRO . 26920 1 45 392 ARG . 26920 1 46 393 ASP . 26920 1 47 394 ALA . 26920 1 48 395 LYS . 26920 1 49 396 LEU . 26920 1 50 397 TYR . 26920 1 51 398 SER . 26920 1 52 399 ASN . 26920 1 53 400 ARG . 26920 1 54 401 ALA . 26920 1 55 402 ALA . 26920 1 56 403 CYS . 26920 1 57 404 TYR . 26920 1 58 405 THR . 26920 1 59 406 LYS . 26920 1 60 407 LEU . 26920 1 61 408 LEU . 26920 1 62 409 GLU . 26920 1 63 410 PHE . 26920 1 64 411 GLN . 26920 1 65 412 LEU . 26920 1 66 413 ALA . 26920 1 67 414 LEU . 26920 1 68 415 LYS . 26920 1 69 416 ASP . 26920 1 70 417 CYS . 26920 1 71 418 GLU . 26920 1 72 419 GLU . 26920 1 73 420 CYS . 26920 1 74 421 ILE . 26920 1 75 422 GLN . 26920 1 76 423 LEU . 26920 1 77 424 GLU . 26920 1 78 425 PRO . 26920 1 79 426 THR . 26920 1 80 427 PHE . 26920 1 81 428 ILE . 26920 1 82 429 LYS . 26920 1 83 430 GLY . 26920 1 84 431 TYR . 26920 1 85 432 THR . 26920 1 86 433 ARG . 26920 1 87 434 LYS . 26920 1 88 435 ALA . 26920 1 89 436 ALA . 26920 1 90 437 ALA . 26920 1 91 438 LEU . 26920 1 92 439 GLU . 26920 1 93 440 ALA . 26920 1 94 441 MET . 26920 1 95 442 LYS . 26920 1 96 443 ASP . 26920 1 97 444 TYR . 26920 1 98 445 THR . 26920 1 99 446 LYS . 26920 1 100 447 ALA . 26920 1 101 448 MET . 26920 1 102 449 ASP . 26920 1 103 450 VAL . 26920 1 104 451 TYR . 26920 1 105 452 GLN . 26920 1 106 453 LYS . 26920 1 107 454 ALA . 26920 1 108 455 LEU . 26920 1 109 456 ASP . 26920 1 110 457 LEU . 26920 1 111 458 ASP . 26920 1 112 459 SER . 26920 1 113 460 SER . 26920 1 114 461 CYS . 26920 1 115 462 LYS . 26920 1 116 463 GLU . 26920 1 117 464 ALA . 26920 1 118 465 ALA . 26920 1 119 466 ASP . 26920 1 120 467 GLY . 26920 1 121 468 TYR . 26920 1 122 469 GLN . 26920 1 123 470 ARG . 26920 1 124 471 CYS . 26920 1 125 472 MET . 26920 1 126 473 MET . 26920 1 127 474 ALA . 26920 1 128 475 GLN . 26920 1 129 476 TYR . 26920 1 130 477 ASN . 26920 1 131 478 ARG . 26920 1 132 479 HIS . 26920 1 133 480 ASP . 26920 1 134 481 SER . 26920 1 135 482 PRO . 26920 1 136 483 GLU . 26920 1 137 484 ASP . 26920 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 26920 1 . GLN 2 2 26920 1 . GLU 3 3 26920 1 . ARG 4 4 26920 1 . LEU 5 5 26920 1 . ALA 6 6 26920 1 . TYR 7 7 26920 1 . ILE 8 8 26920 1 . ASN 9 9 26920 1 . PRO 10 10 26920 1 . ASP 11 11 26920 1 . LEU 12 12 26920 1 . ALA 13 13 26920 1 . LEU 14 14 26920 1 . GLU 15 15 26920 1 . GLU 16 16 26920 1 . LYS 17 17 26920 1 . ASN 18 18 26920 1 . LYS 19 19 26920 1 . GLY 20 20 26920 1 . ASN 21 21 26920 1 . GLU 22 22 26920 1 . CYS 23 23 26920 1 . PHE 24 24 26920 1 . GLN 25 25 26920 1 . LYS 26 26 26920 1 . GLY 27 27 26920 1 . ASP 28 28 26920 1 . TYR 29 29 26920 1 . PRO 30 30 26920 1 . GLN 31 31 26920 1 . ALA 32 32 26920 1 . MET 33 33 26920 1 . LYS 34 34 26920 1 . HIS 35 35 26920 1 . TYR 36 36 26920 1 . THR 37 37 26920 1 . GLU 38 38 26920 1 . ALA 39 39 26920 1 . ILE 40 40 26920 1 . LYS 41 41 26920 1 . ARG 42 42 26920 1 . ASN 43 43 26920 1 . PRO 44 44 26920 1 . ARG 45 45 26920 1 . ASP 46 46 26920 1 . ALA 47 47 26920 1 . LYS 48 48 26920 1 . LEU 49 49 26920 1 . TYR 50 50 26920 1 . SER 51 51 26920 1 . ASN 52 52 26920 1 . ARG 53 53 26920 1 . ALA 54 54 26920 1 . ALA 55 55 26920 1 . CYS 56 56 26920 1 . TYR 57 57 26920 1 . THR 58 58 26920 1 . LYS 59 59 26920 1 . LEU 60 60 26920 1 . LEU 61 61 26920 1 . GLU 62 62 26920 1 . PHE 63 63 26920 1 . GLN 64 64 26920 1 . LEU 65 65 26920 1 . ALA 66 66 26920 1 . LEU 67 67 26920 1 . LYS 68 68 26920 1 . ASP 69 69 26920 1 . CYS 70 70 26920 1 . GLU 71 71 26920 1 . GLU 72 72 26920 1 . CYS 73 73 26920 1 . ILE 74 74 26920 1 . GLN 75 75 26920 1 . LEU 76 76 26920 1 . GLU 77 77 26920 1 . PRO 78 78 26920 1 . THR 79 79 26920 1 . PHE 80 80 26920 1 . ILE 81 81 26920 1 . LYS 82 82 26920 1 . GLY 83 83 26920 1 . TYR 84 84 26920 1 . THR 85 85 26920 1 . ARG 86 86 26920 1 . LYS 87 87 26920 1 . ALA 88 88 26920 1 . ALA 89 89 26920 1 . ALA 90 90 26920 1 . LEU 91 91 26920 1 . GLU 92 92 26920 1 . ALA 93 93 26920 1 . MET 94 94 26920 1 . LYS 95 95 26920 1 . ASP 96 96 26920 1 . TYR 97 97 26920 1 . THR 98 98 26920 1 . LYS 99 99 26920 1 . ALA 100 100 26920 1 . MET 101 101 26920 1 . ASP 102 102 26920 1 . VAL 103 103 26920 1 . TYR 104 104 26920 1 . GLN 105 105 26920 1 . LYS 106 106 26920 1 . ALA 107 107 26920 1 . LEU 108 108 26920 1 . ASP 109 109 26920 1 . LEU 110 110 26920 1 . ASP 111 111 26920 1 . SER 112 112 26920 1 . SER 113 113 26920 1 . CYS 114 114 26920 1 . LYS 115 115 26920 1 . GLU 116 116 26920 1 . ALA 117 117 26920 1 . ALA 118 118 26920 1 . ASP 119 119 26920 1 . GLY 120 120 26920 1 . TYR 121 121 26920 1 . GLN 122 122 26920 1 . ARG 123 123 26920 1 . CYS 124 124 26920 1 . MET 125 125 26920 1 . MET 126 126 26920 1 . ALA 127 127 26920 1 . GLN 128 128 26920 1 . TYR 129 129 26920 1 . ASN 130 130 26920 1 . ARG 131 131 26920 1 . HIS 132 132 26920 1 . ASP 133 133 26920 1 . SER 134 134 26920 1 . PRO 135 135 26920 1 . GLU 136 136 26920 1 . ASP 137 137 26920 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26920 _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 $TPR2B . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . STIP1 . 26920 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26920 _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 $TPR2B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pDEST17 . . . 26920 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26920 _Sample.ID 1 _Sample.Type solution _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 TPR2B '[U-99% 13C; U-99% 15N]' . . 1 $TPR2B . . 500 . . uM . . . . 26920 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26920 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26920 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26920 1 5 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 26920 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 26920 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 26920 1 pH 7 . pH 26920 1 pressure 1 . atm 26920 1 temperature 298 . K 26920 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26920 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26920 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26920 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26920 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26920 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26920 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26920 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26920 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 26920 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26920 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26920 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26920 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26920 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26920 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26920 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26920 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26920 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26920 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26920 1 2 '3D HNCACB' . . . 26920 1 3 '3D CBCA(CO)NH' . . . 26920 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 $NMRPipe . . 26920 1 2 $VNMRJ . . 26920 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU H H 1 8.822 0.02 . 1 . . . . 350 GLU H . 26920 1 2 . 1 1 3 3 GLU CA C 13 57.165 0.3 . 1 . . . . 350 GLU CA . 26920 1 3 . 1 1 3 3 GLU CB C 13 29.862 0.3 . 1 . . . . 350 GLU CB . 26920 1 4 . 1 1 3 3 GLU N N 15 122.885 0.3 . 1 . . . . 350 GLU N . 26920 1 5 . 1 1 4 4 ARG H H 1 8.439 0.02 . 1 . . . . 351 ARG H . 26920 1 6 . 1 1 4 4 ARG CA C 13 56.567 0.3 . 1 . . . . 351 ARG CA . 26920 1 7 . 1 1 4 4 ARG CB C 13 30.59 0.3 . 1 . . . . 351 ARG CB . 26920 1 8 . 1 1 4 4 ARG N N 15 121.979 0.3 . 1 . . . . 351 ARG N . 26920 1 9 . 1 1 5 5 LEU H H 1 8.22 0.02 . 1 . . . . 352 LEU H . 26920 1 10 . 1 1 5 5 LEU CA C 13 55.404 0.3 . 1 . . . . 352 LEU CA . 26920 1 11 . 1 1 5 5 LEU CB C 13 42.298 0.3 . 1 . . . . 352 LEU CB . 26920 1 12 . 1 1 5 5 LEU N N 15 123.112 0.3 . 1 . . . . 352 LEU N . 26920 1 13 . 1 1 6 6 ALA H H 1 8.207 0.02 . 1 . . . . 353 ALA H . 26920 1 14 . 1 1 6 6 ALA CA C 13 52.819 0.3 . 1 . . . . 353 ALA CA . 26920 1 15 . 1 1 6 6 ALA CB C 13 19.359 0.3 . 1 . . . . 353 ALA CB . 26920 1 16 . 1 1 6 6 ALA N N 15 123.905 0.3 . 1 . . . . 353 ALA N . 26920 1 17 . 1 1 7 7 TYR H H 1 8.043 0.02 . 1 . . . . 354 TYR H . 26920 1 18 . 1 1 7 7 TYR CA C 13 58.229 0.3 . 1 . . . . 354 TYR CA . 26920 1 19 . 1 1 7 7 TYR CB C 13 39.356 0.3 . 1 . . . . 354 TYR CB . 26920 1 20 . 1 1 7 7 TYR N N 15 119.033 0.3 . 1 . . . . 354 TYR N . 26920 1 21 . 1 1 8 8 ILE H H 1 7.721 0.02 . 1 . . . . 355 ILE H . 26920 1 22 . 1 1 8 8 ILE CA C 13 61.012 0.3 . 1 . . . . 355 ILE CA . 26920 1 23 . 1 1 8 8 ILE CB C 13 38.801 0.3 . 1 . . . . 355 ILE CB . 26920 1 24 . 1 1 8 8 ILE N N 15 121.865 0.3 . 1 . . . . 355 ILE N . 26920 1 25 . 1 1 9 9 ASN H H 1 8.726 0.02 . 1 . . . . 356 ASN H . 26920 1 26 . 1 1 9 9 ASN CA C 13 51.453 0.3 . 1 . . . . 356 ASN CA . 26920 1 27 . 1 1 9 9 ASN CB C 13 39.209 0.3 . 1 . . . . 356 ASN CB . 26920 1 28 . 1 1 9 9 ASN N N 15 123.451 0.3 . 1 . . . . 356 ASN N . 26920 1 29 . 1 1 10 10 PRO CA C 13 64.27 0.3 . 1 . . . . 357 PRO CA . 26920 1 30 . 1 1 10 10 PRO CB C 13 32.291 0.3 . 1 . . . . 357 PRO CB . 26920 1 31 . 1 1 11 11 ASP H H 1 8.22 0.02 . 1 . . . . 358 ASP H . 26920 1 32 . 1 1 11 11 ASP CA C 13 55.81 0.3 . 1 . . . . 358 ASP CA . 26920 1 33 . 1 1 11 11 ASP CB C 13 40.566 0.3 . 1 . . . . 358 ASP CB . 26920 1 34 . 1 1 11 11 ASP N N 15 119.26 0.3 . 1 . . . . 358 ASP N . 26920 1 35 . 1 1 12 12 LEU H H 1 7.906 0.02 . 1 . . . . 359 LEU H . 26920 1 36 . 1 1 12 12 LEU CA C 13 56.954 0.3 . 1 . . . . 359 LEU CA . 26920 1 37 . 1 1 12 12 LEU CB C 13 41.871 0.3 . 1 . . . . 359 LEU CB . 26920 1 38 . 1 1 12 12 LEU N N 15 122.205 0.3 . 1 . . . . 359 LEU N . 26920 1 39 . 1 1 13 13 ALA H H 1 8.186 0.02 . 1 . . . . 360 ALA H . 26920 1 40 . 1 1 13 13 ALA CA C 13 54.963 0.3 . 1 . . . . 360 ALA CA . 26920 1 41 . 1 1 13 13 ALA CB C 13 19.757 0.3 . 1 . . . . 360 ALA CB . 26920 1 42 . 1 1 13 13 ALA N N 15 120.846 0.3 . 1 . . . . 360 ALA N . 26920 1 43 . 1 1 14 14 LEU H H 1 7.591 0.02 . 1 . . . . 361 LEU H . 26920 1 44 . 1 1 14 14 LEU CA C 13 57.866 0.3 . 1 . . . . 361 LEU CA . 26920 1 45 . 1 1 14 14 LEU CB C 13 42.018 0.3 . 1 . . . . 361 LEU CB . 26920 1 46 . 1 1 14 14 LEU N N 15 118.58 0.3 . 1 . . . . 361 LEU N . 26920 1 47 . 1 1 15 15 GLU H H 1 7.913 0.02 . 1 . . . . 362 GLU H . 26920 1 48 . 1 1 15 15 GLU CA C 13 59.56 0.3 . 1 . . . . 362 GLU CA . 26920 1 49 . 1 1 15 15 GLU CB C 13 29.798 0.3 . 1 . . . . 362 GLU CB . 26920 1 50 . 1 1 15 15 GLU N N 15 118.354 0.3 . 1 . . . . 362 GLU N . 26920 1 51 . 1 1 16 16 GLU H H 1 8.056 0.02 . 1 . . . . 363 GLU H . 26920 1 52 . 1 1 16 16 GLU CA C 13 59.262 0.3 . 1 . . . . 363 GLU CA . 26920 1 53 . 1 1 16 16 GLU CB C 13 29.275 0.3 . 1 . . . . 363 GLU CB . 26920 1 54 . 1 1 16 16 GLU N N 15 118.24 0.3 . 1 . . . . 363 GLU N . 26920 1 55 . 1 1 17 17 LYS H H 1 7.373 0.02 . 1 . . . . 364 LYS H . 26920 1 56 . 1 1 17 17 LYS CA C 13 60.315 0.3 . 1 . . . . 364 LYS CA . 26920 1 57 . 1 1 17 17 LYS CB C 13 33.115 0.3 . 1 . . . . 364 LYS CB . 26920 1 58 . 1 1 17 17 LYS N N 15 124.471 0.3 . 1 . . . . 364 LYS N . 26920 1 59 . 1 1 19 19 LYS H H 1 7.998 0.02 . 1 . . . . 366 LYS H . 26920 1 60 . 1 1 19 19 LYS CA C 13 59.802 0.3 . 1 . . . . 366 LYS CA . 26920 1 61 . 1 1 19 19 LYS CB C 13 31.294 0.3 . 1 . . . . 366 LYS CB . 26920 1 62 . 1 1 19 19 LYS N N 15 121.652 0.3 . 1 . . . . 366 LYS N . 26920 1 63 . 1 1 20 20 GLY H H 1 8.487 0.02 . 1 . . . . 367 GLY H . 26920 1 64 . 1 1 20 20 GLY CA C 13 48.188 0.3 . 1 . . . . 367 GLY CA . 26920 1 65 . 1 1 20 20 GLY N N 15 108.045 0.3 . 1 . . . . 367 GLY N . 26920 1 66 . 1 1 21 21 ASN H H 1 8.733 0.02 . 1 . . . . 368 ASN H . 26920 1 67 . 1 1 21 21 ASN CA C 13 55.874 0.3 . 1 . . . . 368 ASN CA . 26920 1 68 . 1 1 21 21 ASN CB C 13 37.575 0.3 . 1 . . . . 368 ASN CB . 26920 1 69 . 1 1 21 21 ASN N N 15 120.844 0.3 . 1 . . . . 368 ASN N . 26920 1 70 . 1 1 22 22 GLU H H 1 8.125 0.02 . 1 . . . . 369 GLU H . 26920 1 71 . 1 1 22 22 GLU CA C 13 59.802 0.3 . 1 . . . . 369 GLU CA . 26920 1 72 . 1 1 22 22 GLU CB C 13 29.556 0.3 . 1 . . . . 369 GLU CB . 26920 1 73 . 1 1 22 22 GLU N N 15 121.865 0.3 . 1 . . . . 369 GLU N . 26920 1 74 . 1 1 23 23 CYS H H 1 8.049 0.02 . 1 . . . . 370 CYS H . 26920 1 75 . 1 1 23 23 CYS CA C 13 64.158 0.3 . 1 . . . . 370 CYS CA . 26920 1 76 . 1 1 23 23 CYS CB C 13 26.774 0.3 . 1 . . . . 370 CYS CB . 26920 1 77 . 1 1 23 23 CYS N N 15 116.655 0.3 . 1 . . . . 370 CYS N . 26920 1 78 . 1 1 24 24 PHE H H 1 9.205 0.02 . 1 . . . . 371 PHE H . 26920 1 79 . 1 1 24 24 PHE CA C 13 62.425 0.3 . 1 . . . . 371 PHE CA . 26920 1 80 . 1 1 24 24 PHE CB C 13 40.427 0.3 . 1 . . . . 371 PHE CB . 26920 1 81 . 1 1 24 24 PHE N N 15 122.319 0.3 . 1 . . . . 371 PHE N . 26920 1 82 . 1 1 25 25 GLN H H 1 8.501 0.02 . 1 . . . . 372 GLN H . 26920 1 83 . 1 1 25 25 GLN CA C 13 58.713 0.3 . 1 . . . . 372 GLN CA . 26920 1 84 . 1 1 25 25 GLN CB C 13 28.467 0.3 . 1 . . . . 372 GLN CB . 26920 1 85 . 1 1 25 25 GLN N N 15 119.033 0.3 . 1 . . . . 372 GLN N . 26920 1 86 . 1 1 26 26 LYS H H 1 7.284 0.02 . 1 . . . . 373 LYS H . 26920 1 87 . 1 1 26 26 LYS CA C 13 56.415 0.3 . 1 . . . . 373 LYS CA . 26920 1 88 . 1 1 26 26 LYS CB C 13 33.065 0.3 . 1 . . . . 373 LYS CB . 26920 1 89 . 1 1 26 26 LYS N N 15 115.408 0.3 . 1 . . . . 373 LYS N . 26920 1 90 . 1 1 27 27 GLY H H 1 7.509 0.02 . 1 . . . . 374 GLY H . 26920 1 91 . 1 1 27 27 GLY CA C 13 44.679 0.3 . 1 . . . . 374 GLY CA . 26920 1 92 . 1 1 27 27 GLY N N 15 107.592 0.3 . 1 . . . . 374 GLY N . 26920 1 93 . 1 1 28 28 ASP H H 1 7.844 0.02 . 1 . . . . 375 ASP H . 26920 1 94 . 1 1 28 28 ASP CA C 13 51.016 0.3 . 1 . . . . 375 ASP CA . 26920 1 95 . 1 1 28 28 ASP CB C 13 39.227 0.3 . 1 . . . . 375 ASP CB . 26920 1 96 . 1 1 28 28 ASP N N 15 120.846 0.3 . 1 . . . . 375 ASP N . 26920 1 97 . 1 1 29 29 TYR H H 1 7.188 0.02 . 1 . . . . 376 TYR H . 26920 1 98 . 1 1 29 29 TYR CA C 13 62.222 0.3 . 1 . . . . 376 TYR CA . 26920 1 99 . 1 1 29 29 TYR CB C 13 35.726 0.3 . 1 . . . . 376 TYR CB . 26920 1 100 . 1 1 29 29 TYR N N 15 120.053 0.3 . 1 . . . . 376 TYR N . 26920 1 101 . 1 1 30 30 PRO CA C 13 66.335 0.3 . 1 . . . . 377 PRO CA . 26920 1 102 . 1 1 30 30 PRO CB C 13 31.242 0.3 . 1 . . . . 377 PRO CB . 26920 1 103 . 1 1 31 31 GLN H H 1 7.202 0.02 . 1 . . . . 378 GLN H . 26920 1 104 . 1 1 31 31 GLN CA C 13 57.866 0.3 . 1 . . . . 378 GLN CA . 26920 1 105 . 1 1 31 31 GLN CB C 13 28.83 0.3 . 1 . . . . 378 GLN CB . 26920 1 106 . 1 1 31 31 GLN N N 15 116.428 0.3 . 1 . . . . 378 GLN N . 26920 1 107 . 1 1 32 32 ALA H H 1 8.4 0.02 . 1 . . . . 379 ALA H . 26920 1 108 . 1 1 32 32 ALA CB C 13 18.977 0.3 . 1 . . . . 379 ALA CB . 26920 1 109 . 1 1 32 32 ALA N N 15 120.842 0.3 . 1 . . . . 379 ALA N . 26920 1 110 . 1 1 33 33 MET H H 1 8.432 0.02 . 1 . . . . 380 MET H . 26920 1 111 . 1 1 33 33 MET CA C 13 59.613 0.3 . 1 . . . . 380 MET CA . 26920 1 112 . 1 1 33 33 MET CB C 13 31.492 0.3 . 1 . . . . 380 MET CB . 26920 1 113 . 1 1 33 33 MET N N 15 115.862 0.3 . 1 . . . . 380 MET N . 26920 1 114 . 1 1 34 34 LYS H H 1 7.503 0.02 . 1 . . . . 381 LYS H . 26920 1 115 . 1 1 34 34 LYS CA C 13 60.134 0.3 . 1 . . . . 381 LYS CA . 26920 1 116 . 1 1 34 34 LYS CB C 13 32.029 0.3 . 1 . . . . 381 LYS CB . 26920 1 117 . 1 1 34 34 LYS N N 15 122.545 0.3 . 1 . . . . 381 LYS N . 26920 1 118 . 1 1 35 35 HIS H H 1 7.762 0.02 . 1 . . . . 382 HIS H . 26920 1 119 . 1 1 35 35 HIS CA C 13 59.694 0.3 . 1 . . . . 382 HIS CA . 26920 1 120 . 1 1 35 35 HIS CB C 13 28.256 0.3 . 1 . . . . 382 HIS CB . 26920 1 121 . 1 1 35 35 HIS N N 15 119.033 0.3 . 1 . . . . 382 HIS N . 26920 1 122 . 1 1 36 36 TYR H H 1 9.116 0.02 . 1 . . . . 383 TYR H . 26920 1 123 . 1 1 36 36 TYR CA C 13 59.858 0.3 . 1 . . . . 383 TYR CA . 26920 1 124 . 1 1 36 36 TYR CB C 13 37.299 0.3 . 1 . . . . 383 TYR CB . 26920 1 125 . 1 1 36 36 TYR N N 15 117.108 0.3 . 1 . . . . 383 TYR N . 26920 1 126 . 1 1 37 37 THR H H 1 8.425 0.02 . 1 . . . . 384 THR H . 26920 1 127 . 1 1 37 37 THR CA C 13 67.367 0.3 . 1 . . . . 384 THR CA . 26920 1 128 . 1 1 37 37 THR CB C 13 68.876 0.3 . 1 . . . . 384 THR CB . 26920 1 129 . 1 1 37 37 THR N N 15 116.315 0.3 . 1 . . . . 384 THR N . 26920 1 130 . 1 1 39 39 ALA H H 1 8.62 0.02 . 1 . . . . 386 ALA H . 26920 1 131 . 1 1 39 39 ALA CA C 13 55.874 0.3 . 1 . . . . 386 ALA CA . 26920 1 132 . 1 1 39 39 ALA CB C 13 19.195 0.3 . 1 . . . . 386 ALA CB . 26920 1 133 . 1 1 39 39 ALA N N 15 121.638 0.3 . 1 . . . . 386 ALA N . 26920 1 134 . 1 1 40 40 ILE H H 1 8.227 0.02 . 1 . . . . 387 ILE H . 26920 1 135 . 1 1 40 40 ILE CA C 13 64.762 0.3 . 1 . . . . 387 ILE CA . 26920 1 136 . 1 1 40 40 ILE CB C 13 38.872 0.3 . 1 . . . . 387 ILE CB . 26920 1 137 . 1 1 40 40 ILE N N 15 120.053 0.3 . 1 . . . . 387 ILE N . 26920 1 138 . 1 1 41 41 LYS H H 1 7.503 0.02 . 1 . . . . 388 LYS H . 26920 1 139 . 1 1 41 41 LYS CA C 13 59.318 0.3 . 1 . . . . 388 LYS CA . 26920 1 140 . 1 1 41 41 LYS CB C 13 32.702 0.3 . 1 . . . . 388 LYS CB . 26920 1 141 . 1 1 41 41 LYS N N 15 117.334 0.3 . 1 . . . . 388 LYS N . 26920 1 142 . 1 1 42 42 ARG H H 1 7.338 0.02 . 1 . . . . 389 ARG H . 26920 1 143 . 1 1 42 42 ARG CA C 13 56.657 0.3 . 1 . . . . 389 ARG CA . 26920 1 144 . 1 1 42 42 ARG CB C 13 31.129 0.3 . 1 . . . . 389 ARG CB . 26920 1 145 . 1 1 42 42 ARG N N 15 114.389 0.3 . 1 . . . . 389 ARG N . 26920 1 146 . 1 1 43 43 ASN H H 1 8.077 0.02 . 1 . . . . 390 ASN H . 26920 1 147 . 1 1 43 43 ASN CA C 13 51.212 0.3 . 1 . . . . 390 ASN CA . 26920 1 148 . 1 1 43 43 ASN CB C 13 38.388 0.3 . 1 . . . . 390 ASN CB . 26920 1 149 . 1 1 43 43 ASN N N 15 114.616 0.3 . 1 . . . . 390 ASN N . 26920 1 150 . 1 1 44 44 PRO CA C 13 64.166 0.3 . 1 . . . . 391 PRO CA . 26920 1 151 . 1 1 45 45 ARG H H 1 7.912 0.02 . 1 . . . . 392 ARG H . 26920 1 152 . 1 1 45 45 ARG CA C 13 55.205 0.3 . 1 . . . . 392 ARG CA . 26920 1 153 . 1 1 45 45 ARG CB C 13 29.435 0.3 . 1 . . . . 392 ARG CB . 26920 1 154 . 1 1 45 45 ARG N N 15 117.792 0.3 . 1 . . . . 392 ARG N . 26920 1 155 . 1 1 46 46 ASP H H 1 7.318 0.02 . 1 . . . . 393 ASP H . 26920 1 156 . 1 1 46 46 ASP CA C 13 53.027 0.3 . 1 . . . . 393 ASP CA . 26920 1 157 . 1 1 46 46 ASP CB C 13 40.687 0.3 . 1 . . . . 393 ASP CB . 26920 1 158 . 1 1 46 46 ASP N N 15 119.26 0.3 . 1 . . . . 393 ASP N . 26920 1 159 . 1 1 47 47 ALA H H 1 8.637 0.02 . 1 . . . . 394 ALA H . 26920 1 160 . 1 1 47 47 ALA CA C 13 55.931 0.3 . 1 . . . . 394 ALA CA . 26920 1 161 . 1 1 47 47 ALA CB C 13 20.56 0.3 . 1 . . . . 394 ALA CB . 26920 1 162 . 1 1 47 47 ALA N N 15 128.322 0.3 . 1 . . . . 394 ALA N . 26920 1 163 . 1 1 48 48 LYS H H 1 7.995 0.02 . 1 . . . . 395 LYS H . 26920 1 164 . 1 1 48 48 LYS CA C 13 59.681 0.3 . 1 . . . . 395 LYS CA . 26920 1 165 . 1 1 48 48 LYS CB C 13 31.613 0.3 . 1 . . . . 395 LYS CB . 26920 1 166 . 1 1 48 48 LYS N N 15 113.483 0.3 . 1 . . . . 395 LYS N . 26920 1 167 . 1 1 49 49 LEU H H 1 7.345 0.02 . 1 . . . . 396 LEU H . 26920 1 168 . 1 1 49 49 LEU CA C 13 57.503 0.3 . 1 . . . . 396 LEU CA . 26920 1 169 . 1 1 49 49 LEU CB C 13 42.26 0.3 . 1 . . . . 396 LEU CB . 26920 1 170 . 1 1 49 49 LEU N N 15 117.334 0.3 . 1 . . . . 396 LEU N . 26920 1 171 . 1 1 50 50 TYR H H 1 6.935 0.02 . 1 . . . . 397 TYR H . 26920 1 172 . 1 1 50 50 TYR CA C 13 62.222 0.3 . 1 . . . . 397 TYR CA . 26920 1 173 . 1 1 50 50 TYR CB C 13 38.388 0.3 . 1 . . . . 397 TYR CB . 26920 1 174 . 1 1 50 50 TYR N N 15 116.315 0.3 . 1 . . . . 397 TYR N . 26920 1 175 . 1 1 51 51 SER H H 1 7.708 0.02 . 1 . . . . 398 SER H . 26920 1 176 . 1 1 51 51 SER CA C 13 61.653 0.3 . 1 . . . . 398 SER CA . 26920 1 177 . 1 1 51 51 SER CB C 13 63.19 0.3 . 1 . . . . 398 SER CB . 26920 1 178 . 1 1 51 51 SER N N 15 112.803 0.3 . 1 . . . . 398 SER N . 26920 1 179 . 1 1 52 52 ASN H H 1 7.769 0.02 . 1 . . . . 399 ASN H . 26920 1 180 . 1 1 52 52 ASN CA C 13 55.689 0.3 . 1 . . . . 399 ASN CA . 26920 1 181 . 1 1 52 52 ASN CB C 13 36.694 0.3 . 1 . . . . 399 ASN CB . 26920 1 182 . 1 1 52 52 ASN N N 15 119.487 0.3 . 1 . . . . 399 ASN N . 26920 1 183 . 1 1 53 53 ARG H H 1 8.282 0.02 . 1 . . . . 400 ARG H . 26920 1 184 . 1 1 53 53 ARG CA C 13 61.939 0.3 . 1 . . . . 400 ARG CA . 26920 1 185 . 1 1 53 53 ARG CB C 13 29.786 0.3 . 1 . . . . 400 ARG CB . 26920 1 186 . 1 1 53 53 ARG N N 15 122.092 0.3 . 1 . . . . 400 ARG N . 26920 1 187 . 1 1 54 54 ALA H H 1 8.897 0.02 . 1 . . . . 401 ALA H . 26920 1 188 . 1 1 54 54 ALA CA C 13 56.365 0.3 . 1 . . . . 401 ALA CA . 26920 1 189 . 1 1 54 54 ALA CB C 13 20.241 0.3 . 1 . . . . 401 ALA CB . 26920 1 190 . 1 1 54 54 ALA N N 15 122.545 0.3 . 1 . . . . 401 ALA N . 26920 1 191 . 1 1 55 55 ALA H H 1 7.66 0.02 . 1 . . . . 402 ALA H . 26920 1 192 . 1 1 55 55 ALA CA C 13 55.384 0.3 . 1 . . . . 402 ALA CA . 26920 1 193 . 1 1 55 55 ALA CB C 13 18.063 0.3 . 1 . . . . 402 ALA CB . 26920 1 194 . 1 1 55 55 ALA N N 15 120.28 0.3 . 1 . . . . 402 ALA N . 26920 1 195 . 1 1 56 56 CYS H H 1 7.619 0.02 . 1 . . . . 403 CYS H . 26920 1 196 . 1 1 56 56 CYS CA C 13 63.674 0.3 . 1 . . . . 403 CYS CA . 26920 1 197 . 1 1 56 56 CYS CB C 13 27.379 0.3 . 1 . . . . 403 CYS CB . 26920 1 198 . 1 1 56 56 CYS N N 15 117.221 0.3 . 1 . . . . 403 CYS N . 26920 1 199 . 1 1 57 57 TYR H H 1 8.829 0.02 . 1 . . . . 404 TYR H . 26920 1 200 . 1 1 57 57 TYR CA C 13 61.254 0.3 . 1 . . . . 404 TYR CA . 26920 1 201 . 1 1 57 57 TYR CB C 13 37.541 0.3 . 1 . . . . 404 TYR CB . 26920 1 202 . 1 1 57 57 TYR N N 15 118.58 0.3 . 1 . . . . 404 TYR N . 26920 1 203 . 1 1 59 59 LYS H H 1 7.393 0.02 . 1 . . . . 406 LYS H . 26920 1 204 . 1 1 59 59 LYS CA C 13 57.382 0.3 . 1 . . . . 406 LYS CA . 26920 1 205 . 1 1 59 59 LYS CB C 13 31.976 0.3 . 1 . . . . 406 LYS CB . 26920 1 206 . 1 1 59 59 LYS N N 15 122.205 0.3 . 1 . . . . 406 LYS N . 26920 1 207 . 1 1 60 60 LEU H H 1 7.421 0.02 . 1 . . . . 407 LEU H . 26920 1 208 . 1 1 60 60 LEU CA C 13 54.842 0.3 . 1 . . . . 407 LEU CA . 26920 1 209 . 1 1 60 60 LEU CB C 13 42.018 0.3 . 1 . . . . 407 LEU CB . 26920 1 210 . 1 1 60 60 LEU N N 15 117.561 0.3 . 1 . . . . 407 LEU N . 26920 1 211 . 1 1 61 61 LEU H H 1 7.441 0.02 . 1 . . . . 408 LEU H . 26920 1 212 . 1 1 61 61 LEU CA C 13 55.689 0.3 . 1 . . . . 408 LEU CA . 26920 1 213 . 1 1 61 61 LEU CB C 13 37.42 0.3 . 1 . . . . 408 LEU CB . 26920 1 214 . 1 1 61 61 LEU N N 15 113.369 0.3 . 1 . . . . 408 LEU N . 26920 1 215 . 1 1 62 62 GLU H H 1 8.056 0.02 . 1 . . . . 409 GLU H . 26920 1 216 . 1 1 62 62 GLU CA C 13 53.148 0.3 . 1 . . . . 409 GLU CA . 26920 1 217 . 1 1 62 62 GLU CB C 13 28.225 0.3 . 1 . . . . 409 GLU CB . 26920 1 218 . 1 1 62 62 GLU N N 15 120.959 0.3 . 1 . . . . 409 GLU N . 26920 1 219 . 1 1 63 63 PHE H H 1 6.894 0.02 . 1 . . . . 410 PHE H . 26920 1 220 . 1 1 63 63 PHE CA C 13 61.133 0.3 . 1 . . . . 410 PHE CA . 26920 1 221 . 1 1 63 63 PHE CB C 13 38.751 0.3 . 1 . . . . 410 PHE CB . 26920 1 222 . 1 1 63 63 PHE N N 15 118.694 0.3 . 1 . . . . 410 PHE N . 26920 1 223 . 1 1 64 64 GLN H H 1 8.487 0.02 . 1 . . . . 411 GLN H . 26920 1 224 . 1 1 64 64 GLN CA C 13 59.439 0.3 . 1 . . . . 411 GLN CA . 26920 1 225 . 1 1 64 64 GLN CB C 13 27.5 0.3 . 1 . . . . 411 GLN CB . 26920 1 226 . 1 1 64 64 GLN N N 15 116.655 0.3 . 1 . . . . 411 GLN N . 26920 1 227 . 1 1 65 65 LEU H H 1 7.58 0.02 . 1 . . . . 412 LEU H . 26920 1 228 . 1 1 65 65 LEU CA C 13 57.624 0.3 . 1 . . . . 412 LEU CA . 26920 1 229 . 1 1 65 65 LEU CB C 13 38.388 0.3 . 1 . . . . 412 LEU CB . 26920 1 230 . 1 1 65 65 LEU N N 15 119.895 0.3 . 1 . . . . 412 LEU N . 26920 1 231 . 1 1 66 66 ALA H H 1 8.001 0.02 . 1 . . . . 413 ALA H . 26920 1 232 . 1 1 66 66 ALA CA C 13 55.961 0.3 . 1 . . . . 413 ALA CA . 26920 1 233 . 1 1 66 66 ALA CB C 13 19.152 0.3 . 1 . . . . 413 ALA CB . 26920 1 234 . 1 1 66 66 ALA N N 15 121.242 0.3 . 1 . . . . 413 ALA N . 26920 1 235 . 1 1 67 67 LEU H H 1 8.439 0.02 . 1 . . . . 414 LEU H . 26920 1 236 . 1 1 67 67 LEU CA C 13 58.713 0.3 . 1 . . . . 414 LEU CA . 26920 1 237 . 1 1 67 67 LEU CB C 13 41.413 0.3 . 1 . . . . 414 LEU CB . 26920 1 238 . 1 1 67 67 LEU N N 15 118.467 0.3 . 1 . . . . 414 LEU N . 26920 1 239 . 1 1 68 68 LYS H H 1 7.639 0.02 . 1 . . . . 415 LYS H . 26920 1 240 . 1 1 68 68 LYS CA C 13 59.802 0.3 . 1 . . . . 415 LYS CA . 26920 1 241 . 1 1 68 68 LYS CB C 13 32.339 0.3 . 1 . . . . 415 LYS CB . 26920 1 242 . 1 1 68 68 LYS N N 15 119.713 0.3 . 1 . . . . 415 LYS N . 26920 1 243 . 1 1 69 69 ASP H H 1 7.503 0.02 . 1 . . . . 416 ASP H . 26920 1 244 . 1 1 69 69 ASP CA C 13 57.866 0.3 . 1 . . . . 416 ASP CA . 26920 1 245 . 1 1 69 69 ASP CB C 13 40.445 0.3 . 1 . . . . 416 ASP CB . 26920 1 246 . 1 1 69 69 ASP N N 15 121.186 0.3 . 1 . . . . 416 ASP N . 26920 1 247 . 1 1 70 70 CYS H H 1 8.35 0.02 . 1 . . . . 417 CYS H . 26920 1 248 . 1 1 70 70 CYS CA C 13 65.004 0.3 . 1 . . . . 417 CYS CA . 26920 1 249 . 1 1 70 70 CYS CB C 13 26.774 0.3 . 1 . . . . 417 CYS CB . 26920 1 250 . 1 1 70 70 CYS N N 15 117.901 0.3 . 1 . . . . 417 CYS N . 26920 1 251 . 1 1 71 71 GLU H H 1 8.138 0.02 . 1 . . . . 418 GLU H . 26920 1 252 . 1 1 71 71 GLU CA C 13 58.713 0.3 . 1 . . . . 418 GLU CA . 26920 1 253 . 1 1 71 71 GLU CB C 13 28.467 0.3 . 1 . . . . 418 GLU CB . 26920 1 254 . 1 1 71 71 GLU N N 15 117.561 0.3 . 1 . . . . 418 GLU N . 26920 1 255 . 1 1 72 72 GLU H H 1 7.38 0.02 . 1 . . . . 419 GLU H . 26920 1 256 . 1 1 72 72 GLU CA C 13 59.067 0.3 . 1 . . . . 419 GLU CA . 26920 1 257 . 1 1 72 72 GLU CB C 13 28.79 0.3 . 1 . . . . 419 GLU CB . 26920 1 258 . 1 1 72 72 GLU N N 15 119.94 0.3 . 1 . . . . 419 GLU N . 26920 1 259 . 1 1 73 73 CYS H H 1 7.742 0.02 . 1 . . . . 420 CYS H . 26920 1 260 . 1 1 73 73 CYS CA C 13 63.19 0.3 . 1 . . . . 420 CYS CA . 26920 1 261 . 1 1 73 73 CYS CB C 13 26.895 0.3 . 1 . . . . 420 CYS CB . 26920 1 262 . 1 1 73 73 CYS N N 15 117.561 0.3 . 1 . . . . 420 CYS N . 26920 1 263 . 1 1 74 74 ILE H H 1 7.995 0.02 . 1 . . . . 421 ILE H . 26920 1 264 . 1 1 74 74 ILE CA C 13 64.52 0.3 . 1 . . . . 421 ILE CA . 26920 1 265 . 1 1 74 74 ILE CB C 13 39.114 0.3 . 1 . . . . 421 ILE CB . 26920 1 266 . 1 1 74 74 ILE N N 15 117.787 0.3 . 1 . . . . 421 ILE N . 26920 1 267 . 1 1 75 75 GLN H H 1 7.626 0.02 . 1 . . . . 422 GLN H . 26920 1 268 . 1 1 75 75 GLN CA C 13 58.35 0.3 . 1 . . . . 422 GLN CA . 26920 1 269 . 1 1 75 75 GLN CB C 13 28.83 0.3 . 1 . . . . 422 GLN CB . 26920 1 270 . 1 1 75 75 GLN N N 15 116.541 0.3 . 1 . . . . 422 GLN N . 26920 1 271 . 1 1 76 76 LEU H H 1 7.947 0.02 . 1 . . . . 423 LEU H . 26920 1 272 . 1 1 76 76 LEU CA C 13 57.503 0.3 . 1 . . . . 423 LEU CA . 26920 1 273 . 1 1 76 76 LEU CB C 13 44.437 0.3 . 1 . . . . 423 LEU CB . 26920 1 274 . 1 1 76 76 LEU N N 15 118.694 0.3 . 1 . . . . 423 LEU N . 26920 1 275 . 1 1 77 77 GLU H H 1 8.415 0.02 . 1 . . . . 424 GLU H . 26920 1 276 . 1 1 77 77 GLU CA C 13 53.895 0.3 . 1 . . . . 424 GLU CA . 26920 1 277 . 1 1 77 77 GLU CB C 13 31.585 0.3 . 1 . . . . 424 GLU CB . 26920 1 278 . 1 1 77 77 GLU N N 15 117.453 0.3 . 1 . . . . 424 GLU N . 26920 1 279 . 1 1 78 78 PRO CA C 13 64.9 0.3 . 1 . . . . 425 PRO CA . 26920 1 280 . 1 1 78 78 PRO CB C 13 32.395 0.3 . 1 . . . . 425 PRO CB . 26920 1 281 . 1 1 79 79 THR H H 1 8.131 0.02 . 1 . . . . 426 THR H . 26920 1 282 . 1 1 79 79 THR CA C 13 61.496 0.3 . 1 . . . . 426 THR CA . 26920 1 283 . 1 1 79 79 THR CB C 13 68.876 0.3 . 1 . . . . 426 THR CB . 26920 1 284 . 1 1 79 79 THR N N 15 107.366 0.3 . 1 . . . . 426 THR N . 26920 1 285 . 1 1 80 80 PHE H H 1 8.043 0.02 . 1 . . . . 427 PHE H . 26920 1 286 . 1 1 80 80 PHE CA C 13 55.983 0.3 . 1 . . . . 427 PHE CA . 26920 1 287 . 1 1 80 80 PHE CB C 13 38.353 0.3 . 1 . . . . 427 PHE CB . 26920 1 288 . 1 1 80 80 PHE N N 15 123.565 0.3 . 1 . . . . 427 PHE N . 26920 1 289 . 1 1 81 81 ILE H H 1 8.918 0.02 . 1 . . . . 428 ILE H . 26920 1 290 . 1 1 81 81 ILE CA C 13 64.661 0.3 . 1 . . . . 428 ILE CA . 26920 1 291 . 1 1 81 81 ILE CB C 13 38.353 0.3 . 1 . . . . 428 ILE CB . 26920 1 292 . 1 1 81 81 ILE N N 15 131.721 0.3 . 1 . . . . 428 ILE N . 26920 1 293 . 1 1 82 82 LYS H H 1 5.978 0.02 . 1 . . . . 429 LYS H . 26920 1 294 . 1 1 82 82 LYS CA C 13 56.536 0.3 . 1 . . . . 429 LYS CA . 26920 1 295 . 1 1 82 82 LYS CB C 13 31.613 0.3 . 1 . . . . 429 LYS CB . 26920 1 296 . 1 1 82 82 LYS N N 15 115.408 0.3 . 1 . . . . 429 LYS N . 26920 1 297 . 1 1 83 83 GLY H H 1 6.976 0.02 . 1 . . . . 430 GLY H . 26920 1 298 . 1 1 83 83 GLY CA C 13 48.43 0.3 . 1 . . . . 430 GLY CA . 26920 1 299 . 1 1 83 83 GLY N N 15 104.194 0.3 . 1 . . . . 430 GLY N . 26920 1 300 . 1 1 84 84 TYR H H 1 6.833 0.02 . 1 . . . . 431 TYR H . 26920 1 301 . 1 1 84 84 TYR CA C 13 60.77 0.3 . 1 . . . . 431 TYR CA . 26920 1 302 . 1 1 84 84 TYR CB C 13 38.509 0.3 . 1 . . . . 431 TYR CB . 26920 1 303 . 1 1 84 84 TYR N N 15 115.748 0.3 . 1 . . . . 431 TYR N . 26920 1 304 . 1 1 85 85 THR H H 1 8.35 0.02 . 1 . . . . 432 THR H . 26920 1 305 . 1 1 85 85 THR CA C 13 66.698 0.3 . 1 . . . . 432 THR CA . 26920 1 306 . 1 1 85 85 THR N N 15 109.744 0.3 . 1 . . . . 432 THR N . 26920 1 307 . 1 1 90 90 ALA H H 1 7.653 0.02 . 1 . . . . 437 ALA H . 26920 1 308 . 1 1 90 90 ALA CA C 13 55.477 0.3 . 1 . . . . 437 ALA CA . 26920 1 309 . 1 1 90 90 ALA CB C 13 16.903 0.3 . 1 . . . . 437 ALA CB . 26920 1 310 . 1 1 90 90 ALA N N 15 122.885 0.3 . 1 . . . . 437 ALA N . 26920 1 311 . 1 1 91 91 LEU H H 1 7.878 0.02 . 1 . . . . 438 LEU H . 26920 1 312 . 1 1 91 91 LEU CA C 13 57.948 0.3 . 1 . . . . 438 LEU CA . 26920 1 313 . 1 1 91 91 LEU CB C 13 42.018 0.3 . 1 . . . . 438 LEU CB . 26920 1 314 . 1 1 91 91 LEU N N 15 117.861 0.3 . 1 . . . . 438 LEU N . 26920 1 315 . 1 1 92 92 GLU H H 1 8.979 0.02 . 1 . . . . 439 GLU H . 26920 1 316 . 1 1 92 92 GLU CA C 13 59.802 0.3 . 1 . . . . 439 GLU CA . 26920 1 317 . 1 1 92 92 GLU CB C 13 29.919 0.3 . 1 . . . . 439 GLU CB . 26920 1 318 . 1 1 92 92 GLU N N 15 120.959 0.3 . 1 . . . . 439 GLU N . 26920 1 319 . 1 1 93 93 ALA H H 1 7.899 0.02 . 1 . . . . 440 ALA H . 26920 1 320 . 1 1 93 93 ALA CA C 13 54.777 0.3 . 1 . . . . 440 ALA CA . 26920 1 321 . 1 1 93 93 ALA CB C 13 17.92 0.3 . 1 . . . . 440 ALA CB . 26920 1 322 . 1 1 93 93 ALA N N 15 124.584 0.3 . 1 . . . . 440 ALA N . 26920 1 323 . 1 1 94 94 MET H H 1 7.174 0.02 . 1 . . . . 441 MET H . 26920 1 324 . 1 1 94 94 MET CA C 13 56.052 0.3 . 1 . . . . 441 MET CA . 26920 1 325 . 1 1 94 94 MET CB C 13 34.033 0.3 . 1 . . . . 441 MET CB . 26920 1 326 . 1 1 94 94 MET N N 15 115.408 0.3 . 1 . . . . 441 MET N . 26920 1 327 . 1 1 95 95 LYS H H 1 7.639 0.02 . 1 . . . . 442 LYS H . 26920 1 328 . 1 1 95 95 LYS CA C 13 57.02 0.3 . 1 . . . . 442 LYS CA . 26920 1 329 . 1 1 95 95 LYS CB C 13 28.709 0.3 . 1 . . . . 442 LYS CB . 26920 1 330 . 1 1 95 95 LYS N N 15 113.143 0.3 . 1 . . . . 442 LYS N . 26920 1 331 . 1 1 96 96 ASP H H 1 7.893 0.02 . 1 . . . . 443 ASP H . 26920 1 332 . 1 1 96 96 ASP CA C 13 51.091 0.3 . 1 . . . . 443 ASP CA . 26920 1 333 . 1 1 96 96 ASP CB C 13 38.993 0.3 . 1 . . . . 443 ASP CB . 26920 1 334 . 1 1 96 96 ASP N N 15 120.86 0.3 . 1 . . . . 443 ASP N . 26920 1 335 . 1 1 97 97 TYR H H 1 7.004 0.02 . 1 . . . . 444 TYR H . 26920 1 336 . 1 1 97 97 TYR CA C 13 61.98 0.3 . 1 . . . . 444 TYR CA . 26920 1 337 . 1 1 97 97 TYR CB C 13 38.554 0.3 . 1 . . . . 444 TYR CB . 26920 1 338 . 1 1 97 97 TYR N N 15 118.24 0.3 . 1 . . . . 444 TYR N . 26920 1 339 . 1 1 98 98 THR H H 1 8.562 0.02 . 1 . . . . 445 THR H . 26920 1 340 . 1 1 98 98 THR CA C 13 66.335 0.3 . 1 . . . . 445 THR CA . 26920 1 341 . 1 1 98 98 THR CB C 13 68.392 0.3 . 1 . . . . 445 THR CB . 26920 1 342 . 1 1 98 98 THR N N 15 113.596 0.3 . 1 . . . . 445 THR N . 26920 1 343 . 1 1 99 99 LYS H H 1 7.345 0.02 . 1 . . . . 446 LYS H . 26920 1 344 . 1 1 99 99 LYS CA C 13 59.309 0.3 . 1 . . . . 446 LYS CA . 26920 1 345 . 1 1 99 99 LYS CB C 13 33.129 0.3 . 1 . . . . 446 LYS CB . 26920 1 346 . 1 1 99 99 LYS N N 15 120.846 0.3 . 1 . . . . 446 LYS N . 26920 1 347 . 1 1 100 100 ALA H H 1 8.337 0.02 . 1 . . . . 447 ALA H . 26920 1 348 . 1 1 100 100 ALA CA C 13 56.037 0.3 . 1 . . . . 447 ALA CA . 26920 1 349 . 1 1 100 100 ALA CB C 13 19.414 0.3 . 1 . . . . 447 ALA CB . 26920 1 350 . 1 1 100 100 ALA N N 15 120.393 0.3 . 1 . . . . 447 ALA N . 26920 1 351 . 1 1 101 101 MET H H 1 8.357 0.02 . 1 . . . . 448 MET H . 26920 1 352 . 1 1 101 101 MET CA C 13 61.375 0.3 . 1 . . . . 448 MET CA . 26920 1 353 . 1 1 101 101 MET CB C 13 34.275 0.3 . 1 . . . . 448 MET CB . 26920 1 354 . 1 1 101 101 MET N N 15 116.201 0.3 . 1 . . . . 448 MET N . 26920 1 355 . 1 1 102 102 ASP H H 1 7.27 0.02 . 1 . . . . 449 ASP H . 26920 1 356 . 1 1 102 102 ASP CA C 13 57.503 0.3 . 1 . . . . 449 ASP CA . 26920 1 357 . 1 1 102 102 ASP CB C 13 41.171 0.3 . 1 . . . . 449 ASP CB . 26920 1 358 . 1 1 102 102 ASP N N 15 117.674 0.3 . 1 . . . . 449 ASP N . 26920 1 359 . 1 1 103 103 VAL H H 1 7.836 0.02 . 1 . . . . 450 VAL H . 26920 1 360 . 1 1 103 103 VAL CA C 13 66.571 0.3 . 1 . . . . 450 VAL CA . 26920 1 361 . 1 1 103 103 VAL CB C 13 31.203 0.3 . 1 . . . . 450 VAL CB . 26920 1 362 . 1 1 103 103 VAL N N 15 120.729 0.3 . 1 . . . . 450 VAL N . 26920 1 363 . 1 1 104 104 TYR H H 1 9.225 0.02 . 1 . . . . 451 TYR H . 26920 1 364 . 1 1 104 104 TYR CA C 13 62.706 0.3 . 1 . . . . 451 TYR CA . 26920 1 365 . 1 1 104 104 TYR CB C 13 38.025 0.3 . 1 . . . . 451 TYR CB . 26920 1 366 . 1 1 104 104 TYR N N 15 120.619 0.3 . 1 . . . . 451 TYR N . 26920 1 367 . 1 1 105 105 GLN H H 1 8.61 0.02 . 1 . . . . 452 GLN H . 26920 1 368 . 1 1 105 105 GLN CA C 13 58.955 0.3 . 1 . . . . 452 GLN CA . 26920 1 369 . 1 1 105 105 GLN CB C 13 28.588 0.3 . 1 . . . . 452 GLN CB . 26920 1 370 . 1 1 105 105 GLN N N 15 117.448 0.3 . 1 . . . . 452 GLN N . 26920 1 371 . 1 1 106 106 LYS H H 1 7.598 0.02 . 1 . . . . 453 LYS H . 26920 1 372 . 1 1 106 106 LYS CA C 13 58.774 0.3 . 1 . . . . 453 LYS CA . 26920 1 373 . 1 1 106 106 LYS CB C 13 31.492 0.3 . 1 . . . . 453 LYS CB . 26920 1 374 . 1 1 106 106 LYS N N 15 120.28 0.3 . 1 . . . . 453 LYS N . 26920 1 375 . 1 1 107 107 ALA H H 1 7.708 0.02 . 1 . . . . 454 ALA H . 26920 1 376 . 1 1 107 107 ALA CA C 13 55.326 0.3 . 1 . . . . 454 ALA CA . 26920 1 377 . 1 1 107 107 ALA CB C 13 18.305 0.3 . 1 . . . . 454 ALA CB . 26920 1 378 . 1 1 107 107 ALA N N 15 119.713 0.3 . 1 . . . . 454 ALA N . 26920 1 379 . 1 1 108 108 LEU H H 1 7.81 0.02 . 1 . . . . 455 LEU H . 26920 1 380 . 1 1 108 108 LEU CA C 13 56.536 0.3 . 1 . . . . 455 LEU CA . 26920 1 381 . 1 1 108 108 LEU CB C 13 42.018 0.3 . 1 . . . . 455 LEU CB . 26920 1 382 . 1 1 108 108 LEU N N 15 117.787 0.3 . 1 . . . . 455 LEU N . 26920 1 383 . 1 1 109 109 ASP H H 1 8.138 0.02 . 1 . . . . 456 ASP H . 26920 1 384 . 1 1 109 109 ASP CA C 13 56.414 0.3 . 1 . . . . 456 ASP CA . 26920 1 385 . 1 1 109 109 ASP CB C 13 40.445 0.3 . 1 . . . . 456 ASP CB . 26920 1 386 . 1 1 109 109 ASP N N 15 118.92 0.3 . 1 . . . . 456 ASP N . 26920 1 387 . 1 1 110 110 LEU H H 1 7.325 0.02 . 1 . . . . 457 LEU H . 26920 1 388 . 1 1 110 110 LEU CA C 13 56.888 0.3 . 1 . . . . 457 LEU CA . 26920 1 389 . 1 1 110 110 LEU CB C 13 42.743 0.3 . 1 . . . . 457 LEU CB . 26920 1 390 . 1 1 110 110 LEU N N 15 120.28 0.3 . 1 . . . . 457 LEU N . 26920 1 391 . 1 1 111 111 ASP H H 1 8.213 0.02 . 1 . . . . 458 ASP H . 26920 1 392 . 1 1 111 111 ASP CA C 13 53.753 0.3 . 1 . . . . 458 ASP CA . 26920 1 393 . 1 1 111 111 ASP CB C 13 41.989 0.3 . 1 . . . . 458 ASP CB . 26920 1 394 . 1 1 111 111 ASP N N 15 118.24 0.3 . 1 . . . . 458 ASP N . 26920 1 395 . 1 1 112 112 SER H H 1 8.726 0.02 . 1 . . . . 459 SER H . 26920 1 396 . 1 1 112 112 SER CA C 13 60.568 0.3 . 1 . . . . 459 SER CA . 26920 1 397 . 1 1 112 112 SER CB C 13 62.969 0.3 . 1 . . . . 459 SER CB . 26920 1 398 . 1 1 112 112 SER N N 15 121.299 0.3 . 1 . . . . 459 SER N . 26920 1 399 . 1 1 113 113 SER H H 1 8.507 0.02 . 1 . . . . 460 SER H . 26920 1 400 . 1 1 113 113 SER CA C 13 58.207 0.3 . 1 . . . . 460 SER CA . 26920 1 401 . 1 1 113 113 SER CB C 13 64.255 0.3 . 1 . . . . 460 SER CB . 26920 1 402 . 1 1 113 113 SER N N 15 117.108 0.3 . 1 . . . . 460 SER N . 26920 1 403 . 1 1 114 114 CYS H H 1 7.434 0.02 . 1 . . . . 461 CYS H . 26920 1 404 . 1 1 114 114 CYS CA C 13 59.134 0.3 . 1 . . . . 461 CYS CA . 26920 1 405 . 1 1 114 114 CYS CB C 13 26.225 0.3 . 1 . . . . 461 CYS CB . 26920 1 406 . 1 1 114 114 CYS N N 15 121.979 0.3 . 1 . . . . 461 CYS N . 26920 1 407 . 1 1 115 115 LYS H H 1 8.644 0.02 . 1 . . . . 462 LYS H . 26920 1 408 . 1 1 115 115 LYS CA C 13 59.546 0.3 . 1 . . . . 462 LYS CA . 26920 1 409 . 1 1 115 115 LYS CB C 13 32.823 0.3 . 1 . . . . 462 LYS CB . 26920 1 410 . 1 1 115 115 LYS N N 15 107.705 0.3 . 1 . . . . 462 LYS N . 26920 1 411 . 1 1 116 116 GLU H H 1 9.006 0.02 . 1 . . . . 463 GLU H . 26920 1 412 . 1 1 116 116 GLU CA C 13 59.367 0.3 . 1 . . . . 463 GLU CA . 26920 1 413 . 1 1 116 116 GLU CB C 13 29.798 0.3 . 1 . . . . 463 GLU CB . 26920 1 414 . 1 1 116 116 GLU N N 15 117.674 0.3 . 1 . . . . 463 GLU N . 26920 1 415 . 1 1 117 117 ALA H H 1 7.544 0.02 . 1 . . . . 464 ALA H . 26920 1 416 . 1 1 117 117 ALA CA C 13 53.874 0.3 . 1 . . . . 464 ALA CA . 26920 1 417 . 1 1 117 117 ALA CB C 13 18.91 0.3 . 1 . . . . 464 ALA CB . 26920 1 418 . 1 1 117 117 ALA N N 15 121.073 0.3 . 1 . . . . 464 ALA N . 26920 1 419 . 1 1 118 118 ALA H H 1 7.906 0.02 . 1 . . . . 465 ALA H . 26920 1 420 . 1 1 118 118 ALA CA C 13 55.579 0.3 . 1 . . . . 465 ALA CA . 26920 1 421 . 1 1 118 118 ALA CB C 13 18.385 0.3 . 1 . . . . 465 ALA CB . 26920 1 422 . 1 1 118 118 ALA N N 15 123.112 0.3 . 1 . . . . 465 ALA N . 26920 1 423 . 1 1 119 119 ASP H H 1 8.965 0.02 . 1 . . . . 466 ASP H . 26920 1 424 . 1 1 119 119 ASP CA C 13 56.815 0.3 . 1 . . . . 466 ASP CA . 26920 1 425 . 1 1 119 119 ASP CB C 13 39.669 0.3 . 1 . . . . 466 ASP CB . 26920 1 426 . 1 1 119 119 ASP N N 15 118.807 0.3 . 1 . . . . 466 ASP N . 26920 1 427 . 1 1 120 120 GLY H H 1 7.591 0.02 . 1 . . . . 467 GLY H . 26920 1 428 . 1 1 120 120 GLY CA C 13 46.857 0.3 . 1 . . . . 467 GLY CA . 26920 1 429 . 1 1 120 120 GLY N N 15 108.725 0.3 . 1 . . . . 467 GLY N . 26920 1 430 . 1 1 121 121 TYR H H 1 8.179 0.02 . 1 . . . . 468 TYR H . 26920 1 431 . 1 1 121 121 TYR CA C 13 63.406 0.3 . 1 . . . . 468 TYR CA . 26920 1 432 . 1 1 121 121 TYR CB C 13 38.79 0.3 . 1 . . . . 468 TYR CB . 26920 1 433 . 1 1 121 121 TYR N N 15 122.885 0.3 . 1 . . . . 468 TYR N . 26920 1 434 . 1 1 122 122 GLN H H 1 7.55 0.02 . 1 . . . . 469 GLN H . 26920 1 435 . 1 1 122 122 GLN CA C 13 58.955 0.3 . 1 . . . . 469 GLN CA . 26920 1 436 . 1 1 122 122 GLN CB C 13 28.346 0.3 . 1 . . . . 469 GLN CB . 26920 1 437 . 1 1 122 122 GLN N N 15 115.975 0.3 . 1 . . . . 469 GLN N . 26920 1 438 . 1 1 123 123 ARG H H 1 8.193 0.02 . 1 . . . . 470 ARG H . 26920 1 439 . 1 1 123 123 ARG CA C 13 60.044 0.3 . 1 . . . . 470 ARG CA . 26920 1 440 . 1 1 123 123 ARG CB C 13 31.734 0.3 . 1 . . . . 470 ARG CB . 26920 1 441 . 1 1 123 123 ARG N N 15 118.807 0.3 . 1 . . . . 470 ARG N . 26920 1 442 . 1 1 124 124 CYS H H 1 8.131 0.02 . 1 . . . . 471 CYS H . 26920 1 443 . 1 1 124 124 CYS CA C 13 64.334 0.3 . 1 . . . . 471 CYS CA . 26920 1 444 . 1 1 124 124 CYS CB C 13 28.31 0.3 . 1 . . . . 471 CYS CB . 26920 1 445 . 1 1 124 124 CYS N N 15 117.223 0.3 . 1 . . . . 471 CYS N . 26920 1 446 . 1 1 125 125 MET H H 1 8.227 0.02 . 1 . . . . 472 MET H . 26920 1 447 . 1 1 125 125 MET CA C 13 58.955 0.3 . 1 . . . . 472 MET CA . 26920 1 448 . 1 1 125 125 MET CB C 13 32.46 0.3 . 1 . . . . 472 MET CB . 26920 1 449 . 1 1 125 125 MET N N 15 120.959 0.3 . 1 . . . . 472 MET N . 26920 1 450 . 1 1 126 126 MET H H 1 7.851 0.02 . 1 . . . . 473 MET H . 26920 1 451 . 1 1 126 126 MET CA C 13 57.261 0.3 . 1 . . . . 473 MET CA . 26920 1 452 . 1 1 126 126 MET CB C 13 32.24 0.3 . 1 . . . . 473 MET CB . 26920 1 453 . 1 1 126 126 MET N N 15 116.428 0.3 . 1 . . . . 473 MET N . 26920 1 454 . 1 1 127 127 ALA H H 1 7.585 0.02 . 1 . . . . 474 ALA H . 26920 1 455 . 1 1 127 127 ALA CA C 13 54.127 0.3 . 1 . . . . 474 ALA CA . 26920 1 456 . 1 1 127 127 ALA CB C 13 17.121 0.3 . 1 . . . . 474 ALA CB . 26920 1 457 . 1 1 127 127 ALA N N 15 121.412 0.3 . 1 . . . . 474 ALA N . 26920 1 458 . 1 1 128 128 GLN H H 1 7.468 0.02 . 1 . . . . 475 GLN H . 26920 1 459 . 1 1 128 128 GLN CA C 13 57.261 0.3 . 1 . . . . 475 GLN CA . 26920 1 460 . 1 1 128 128 GLN CB C 13 29.072 0.3 . 1 . . . . 475 GLN CB . 26920 1 461 . 1 1 128 128 GLN N N 15 115.408 0.3 . 1 . . . . 475 GLN N . 26920 1 462 . 1 1 129 129 TYR H H 1 7.639 0.02 . 1 . . . . 476 TYR H . 26920 1 463 . 1 1 129 129 TYR CA C 13 58.592 0.3 . 1 . . . . 476 TYR CA . 26920 1 464 . 1 1 129 129 TYR CB C 13 38.63 0.3 . 1 . . . . 476 TYR CB . 26920 1 465 . 1 1 129 129 TYR N N 15 117.901 0.3 . 1 . . . . 476 TYR N . 26920 1 466 . 1 1 130 130 ASN H H 1 8.002 0.02 . 1 . . . . 477 ASN H . 26920 1 467 . 1 1 130 130 ASN CA C 13 53.511 0.3 . 1 . . . . 477 ASN CA . 26920 1 468 . 1 1 130 130 ASN CB C 13 38.929 0.3 . 1 . . . . 477 ASN CB . 26920 1 469 . 1 1 130 130 ASN N N 15 118.58 0.3 . 1 . . . . 477 ASN N . 26920 1 470 . 1 1 131 131 ARG H H 1 7.981 0.02 . 1 . . . . 478 ARG H . 26920 1 471 . 1 1 131 131 ARG CA C 13 56.415 0.3 . 1 . . . . 478 ARG CA . 26920 1 472 . 1 1 131 131 ARG CB C 13 30.887 0.3 . 1 . . . . 478 ARG CB . 26920 1 473 . 1 1 131 131 ARG N N 15 120.393 0.3 . 1 . . . . 478 ARG N . 26920 1 474 . 1 1 133 133 ASP H H 1 8.364 0.02 . 1 . . . . 480 ASP H . 26920 1 475 . 1 1 133 133 ASP CA C 13 54.479 0.3 . 1 . . . . 480 ASP CA . 26920 1 476 . 1 1 133 133 ASP CB C 13 41.413 0.3 . 1 . . . . 480 ASP CB . 26920 1 477 . 1 1 133 133 ASP N N 15 120.959 0.3 . 1 . . . . 480 ASP N . 26920 1 478 . 1 1 134 134 SER H H 1 8.254 0.02 . 1 . . . . 481 SER H . 26920 1 479 . 1 1 134 134 SER CA C 13 56.415 0.3 . 1 . . . . 481 SER CA . 26920 1 480 . 1 1 134 134 SER CB C 13 63.553 0.3 . 1 . . . . 481 SER CB . 26920 1 481 . 1 1 134 134 SER N N 15 116.655 0.3 . 1 . . . . 481 SER N . 26920 1 482 . 1 1 135 135 PRO CA C 13 63.432 0.3 . 1 . . . . 482 PRO CA . 26920 1 483 . 1 1 135 135 PRO CB C 13 32.186 0.3 . 1 . . . . 482 PRO CB . 26920 1 484 . 1 1 136 136 GLU H H 1 8.446 0.02 . 1 . . . . 483 GLU H . 26920 1 485 . 1 1 136 136 GLU CA C 13 56.415 0.3 . 1 . . . . 483 GLU CA . 26920 1 486 . 1 1 136 136 GLU CB C 13 30.645 0.3 . 1 . . . . 483 GLU CB . 26920 1 487 . 1 1 136 136 GLU N N 15 120.733 0.3 . 1 . . . . 483 GLU N . 26920 1 488 . 1 1 137 137 ASP H H 1 7.926 0.02 . 1 . . . . 484 ASP H . 26920 1 489 . 1 1 137 137 ASP CA C 13 56.123 0.3 . 1 . . . . 484 ASP CA . 26920 1 490 . 1 1 137 137 ASP CB C 13 42.381 0.3 . 1 . . . . 484 ASP CB . 26920 1 491 . 1 1 137 137 ASP N N 15 126.623 0.3 . 1 . . . . 484 ASP N . 26920 1 stop_ save_