data_19584 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19584 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Dvl-2 DEP domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-25 _Entry.Accession_date 2013-10-25 _Entry.Last_release_date 2014-04-14 _Entry.Original_release_date 2014-04-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Daniel Capelluto . G.S. . 19584 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19584 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 19584 '15N chemical shifts' 92 19584 '1H chemical shifts' 92 19584 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 . . 2014-04-14 2013-10-25 original author . 19584 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19584 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24606934 _Citation.Full_citation . _Citation.Title 'Biophysical and Molecular-Dynamics Studies of Phosphatidic Acid Binding by the Dvl-2 DEP Domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 106 _Citation.Journal_issue 5 _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 1101 _Citation.Page_last 1111 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Daniel Capelluto . G.S. . 19584 1 2 Xiaolin Zhao . . . 19584 1 3 Andrew Lucas . . . 19584 1 4 Justin Lemkul . A. . 19584 1 5 Shuyan Xiao . . . 19584 1 6 Xiangping Fu . . . 19584 1 7 Furong Sun . . . 19584 1 8 David Bevan . R. . 19584 1 9 Carla Finkielstein . V. . 19584 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19584 _Assembly.ID 1 _Assembly.Name 'Dvl-2 DEP' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11544 _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 'Dvl-2 DEP' 1 $Dvl-2_DEP A . yes native no no . . . 19584 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dvl-2_DEP _Entity.Sf_category entity _Entity.Sf_framecode Dvl-2_DEP _Entity.Entry_ID 19584 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dvl-2_DEP _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 ; GPLGSCEGRGLSVHMDMASV TKAMAAPESGLEVRDRMWLK ITIPNAFLGSDVVDWLYHHV EGFPERREARKYASGLLKAG LIRHTVNKITFSEQCYYVFG DLSG ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3ML6 . "A Complex Between Dishevlled2 And Clathrin Adaptor Ap-2" . . . . . 91.35 385 98.95 98.95 1.44e-59 . . . . 19584 1 2 no DBJ BAE27460 . "unnamed protein product [Mus musculus]" . . . . . 95.19 736 100.00 100.00 1.87e-62 . . . . 19584 1 3 no DBJ BAE35461 . "unnamed protein product [Mus musculus]" . . . . . 95.19 736 100.00 100.00 1.87e-62 . . . . 19584 1 4 no DBJ BAE40307 . "unnamed protein product [Mus musculus]" . . . . . 95.19 736 100.00 100.00 1.87e-62 . . . . 19584 1 5 no DBJ BAG59612 . "unnamed protein product [Homo sapiens]" . . . . . 95.19 730 98.99 98.99 9.73e-62 . . . . 19584 1 6 no DBJ BAG65098 . "unnamed protein product [Homo sapiens]" . . . . . 95.19 717 98.99 98.99 8.17e-62 . . . . 19584 1 7 no GB AAB65243 . "dishevelled 2 [Homo sapiens]" . . . . . 95.19 736 98.99 98.99 1.03e-61 . . . . 19584 1 8 no GB AAC52827 . "similar to Dvl-1 product encoded by GenBank Accession Number U10115; dishevelled segment polarity protein homolog [Mus musculus" . . . . . 95.19 736 100.00 100.00 1.78e-62 . . . . 19584 1 9 no GB AAH14844 . "Dishevelled, dsh homolog 2 (Drosophila) [Homo sapiens]" . . . . . 95.19 736 98.99 98.99 1.03e-61 . . . . 19584 1 10 no GB AAH53050 . "Dishevelled 2, dsh homolog (Drosophila) [Mus musculus]" . . . . . 95.19 736 100.00 100.00 1.87e-62 . . . . 19584 1 11 no GB AAH92396 . "Dishevelled 2, dsh homolog (Drosophila) [Mus musculus]" . . . . . 95.19 736 100.00 100.00 1.71e-62 . . . . 19584 1 12 no REF NP_001165527 . "segment polarity protein dishevelled homolog DVL-2 [Rattus norvegicus]" . . . . . 95.19 736 100.00 100.00 1.42e-62 . . . . 19584 1 13 no REF NP_001178311 . "segment polarity protein dishevelled homolog DVL-2 [Bos taurus]" . . . . . 95.19 740 97.98 98.99 2.05e-61 . . . . 19584 1 14 no REF NP_001181735 . "segment polarity protein dishevelled homolog DVL-2 [Macaca mulatta]" . . . . . 95.19 730 97.98 98.99 1.73e-61 . . . . 19584 1 15 no REF NP_004413 . "segment polarity protein dishevelled homolog DVL-2 [Homo sapiens]" . . . . . 95.19 736 98.99 98.99 1.03e-61 . . . . 19584 1 16 no REF NP_031914 . "segment polarity protein dishevelled homolog DVL-2 [Mus musculus]" . . . . . 95.19 736 100.00 100.00 1.87e-62 . . . . 19584 1 17 no SP O14641 . "RecName: Full=Segment polarity protein dishevelled homolog DVL-2; Short=Dishevelled-2; AltName: Full=DSH homolog 2" . . . . . 95.19 736 98.99 98.99 1.03e-61 . . . . 19584 1 18 no SP Q60838 . "RecName: Full=Segment polarity protein dishevelled homolog DVL-2; Short=Dishevelled-2; AltName: Full=DSH homolog 2" . . . . . 95.19 736 100.00 100.00 1.87e-62 . . . . 19584 1 19 no TPG DAA18923 . "TPA: dishevelled, dsh homolog 2 [Bos taurus]" . . . . . 95.19 736 97.98 98.99 1.65e-61 . . . . 19584 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 -5 GLY . 19584 1 2 -4 PRO . 19584 1 3 -3 LEU . 19584 1 4 -2 GLY . 19584 1 5 -1 SER . 19584 1 6 412 CYS . 19584 1 7 413 GLU . 19584 1 8 414 GLY . 19584 1 9 415 ARG . 19584 1 10 416 GLY . 19584 1 11 417 LEU . 19584 1 12 418 SER . 19584 1 13 419 VAL . 19584 1 14 420 HIS . 19584 1 15 421 MET . 19584 1 16 422 ASP . 19584 1 17 423 MET . 19584 1 18 424 ALA . 19584 1 19 425 SER . 19584 1 20 426 VAL . 19584 1 21 427 THR . 19584 1 22 428 LYS . 19584 1 23 429 ALA . 19584 1 24 430 MET . 19584 1 25 431 ALA . 19584 1 26 432 ALA . 19584 1 27 433 PRO . 19584 1 28 434 GLU . 19584 1 29 435 SER . 19584 1 30 436 GLY . 19584 1 31 437 LEU . 19584 1 32 438 GLU . 19584 1 33 439 VAL . 19584 1 34 440 ARG . 19584 1 35 441 ASP . 19584 1 36 442 ARG . 19584 1 37 443 MET . 19584 1 38 444 TRP . 19584 1 39 445 LEU . 19584 1 40 446 LYS . 19584 1 41 447 ILE . 19584 1 42 448 THR . 19584 1 43 449 ILE . 19584 1 44 450 PRO . 19584 1 45 451 ASN . 19584 1 46 452 ALA . 19584 1 47 453 PHE . 19584 1 48 454 LEU . 19584 1 49 455 GLY . 19584 1 50 456 SER . 19584 1 51 457 ASP . 19584 1 52 458 VAL . 19584 1 53 459 VAL . 19584 1 54 460 ASP . 19584 1 55 461 TRP . 19584 1 56 462 LEU . 19584 1 57 463 TYR . 19584 1 58 464 HIS . 19584 1 59 465 HIS . 19584 1 60 466 VAL . 19584 1 61 467 GLU . 19584 1 62 468 GLY . 19584 1 63 469 PHE . 19584 1 64 470 PRO . 19584 1 65 471 GLU . 19584 1 66 472 ARG . 19584 1 67 473 ARG . 19584 1 68 474 GLU . 19584 1 69 475 ALA . 19584 1 70 476 ARG . 19584 1 71 477 LYS . 19584 1 72 478 TYR . 19584 1 73 479 ALA . 19584 1 74 480 SER . 19584 1 75 481 GLY . 19584 1 76 482 LEU . 19584 1 77 483 LEU . 19584 1 78 484 LYS . 19584 1 79 485 ALA . 19584 1 80 486 GLY . 19584 1 81 487 LEU . 19584 1 82 488 ILE . 19584 1 83 489 ARG . 19584 1 84 490 HIS . 19584 1 85 491 THR . 19584 1 86 492 VAL . 19584 1 87 493 ASN . 19584 1 88 494 LYS . 19584 1 89 495 ILE . 19584 1 90 496 THR . 19584 1 91 497 PHE . 19584 1 92 498 SER . 19584 1 93 499 GLU . 19584 1 94 500 GLN . 19584 1 95 501 CYS . 19584 1 96 502 TYR . 19584 1 97 503 TYR . 19584 1 98 504 VAL . 19584 1 99 505 PHE . 19584 1 100 506 GLY . 19584 1 101 507 ASP . 19584 1 102 508 LEU . 19584 1 103 509 SER . 19584 1 104 510 GLY . 19584 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 19584 1 . PRO 2 2 19584 1 . LEU 3 3 19584 1 . GLY 4 4 19584 1 . SER 5 5 19584 1 . CYS 6 6 19584 1 . GLU 7 7 19584 1 . GLY 8 8 19584 1 . ARG 9 9 19584 1 . GLY 10 10 19584 1 . LEU 11 11 19584 1 . SER 12 12 19584 1 . VAL 13 13 19584 1 . HIS 14 14 19584 1 . MET 15 15 19584 1 . ASP 16 16 19584 1 . MET 17 17 19584 1 . ALA 18 18 19584 1 . SER 19 19 19584 1 . VAL 20 20 19584 1 . THR 21 21 19584 1 . LYS 22 22 19584 1 . ALA 23 23 19584 1 . MET 24 24 19584 1 . ALA 25 25 19584 1 . ALA 26 26 19584 1 . PRO 27 27 19584 1 . GLU 28 28 19584 1 . SER 29 29 19584 1 . GLY 30 30 19584 1 . LEU 31 31 19584 1 . GLU 32 32 19584 1 . VAL 33 33 19584 1 . ARG 34 34 19584 1 . ASP 35 35 19584 1 . ARG 36 36 19584 1 . MET 37 37 19584 1 . TRP 38 38 19584 1 . LEU 39 39 19584 1 . LYS 40 40 19584 1 . ILE 41 41 19584 1 . THR 42 42 19584 1 . ILE 43 43 19584 1 . PRO 44 44 19584 1 . ASN 45 45 19584 1 . ALA 46 46 19584 1 . PHE 47 47 19584 1 . LEU 48 48 19584 1 . GLY 49 49 19584 1 . SER 50 50 19584 1 . ASP 51 51 19584 1 . VAL 52 52 19584 1 . VAL 53 53 19584 1 . ASP 54 54 19584 1 . TRP 55 55 19584 1 . LEU 56 56 19584 1 . TYR 57 57 19584 1 . HIS 58 58 19584 1 . HIS 59 59 19584 1 . VAL 60 60 19584 1 . GLU 61 61 19584 1 . GLY 62 62 19584 1 . PHE 63 63 19584 1 . PRO 64 64 19584 1 . GLU 65 65 19584 1 . ARG 66 66 19584 1 . ARG 67 67 19584 1 . GLU 68 68 19584 1 . ALA 69 69 19584 1 . ARG 70 70 19584 1 . LYS 71 71 19584 1 . TYR 72 72 19584 1 . ALA 73 73 19584 1 . SER 74 74 19584 1 . GLY 75 75 19584 1 . LEU 76 76 19584 1 . LEU 77 77 19584 1 . LYS 78 78 19584 1 . ALA 79 79 19584 1 . GLY 80 80 19584 1 . LEU 81 81 19584 1 . ILE 82 82 19584 1 . ARG 83 83 19584 1 . HIS 84 84 19584 1 . THR 85 85 19584 1 . VAL 86 86 19584 1 . ASN 87 87 19584 1 . LYS 88 88 19584 1 . ILE 89 89 19584 1 . THR 90 90 19584 1 . PHE 91 91 19584 1 . SER 92 92 19584 1 . GLU 93 93 19584 1 . GLN 94 94 19584 1 . CYS 95 95 19584 1 . TYR 96 96 19584 1 . TYR 97 97 19584 1 . VAL 98 98 19584 1 . PHE 99 99 19584 1 . GLY 100 100 19584 1 . ASP 101 101 19584 1 . LEU 102 102 19584 1 . SER 103 103 19584 1 . GLY 104 104 19584 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 19584 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Dvl-2_DEP . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 19584 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 19584 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Dvl-2_DEP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta . . . . . . . . . . . . . . . pGEX6P1 . . . . . . 19584 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19584 _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 'Dvl-2 DEP' '[U-100% 13C; U-100% 15N]' . . 1 $Dvl-2_DEP . . 1 . . mM . . . . 19584 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19584 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19584 1 4 DTT-d10 '[U-98% 2H]' . . . . . . 1 . . mM . . . . 19584 1 5 'sodium citrate-d4' '[U-98% 2H]' . . . . . . 20 . . mM . . . . 19584 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 19584 _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' 100 . mM 19584 1 pH 6.7 . pH 19584 1 pressure 1 . atm 19584 1 temperature 298 . K 19584 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19584 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19584 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19584 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19584 _Software.ID 2 _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' . . 19584 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19584 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 19584 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19584 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19584 _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 . . . 19584 1 2 spectrometer_2 Varian INOVA . 500 . . . 19584 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 19584 _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 . . . . . . . . . . . . . . . . . . . . . 19584 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19584 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19584 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19584 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19584 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 19584 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 19584 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19584 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19584 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 19584 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19584 1 2 '3D HNCO' . . . 19584 1 3 '3D HNCACB' . . . 19584 1 4 '3D CBCA(CO)NH' . . . 19584 1 5 '3D C(CO)NH' . . . 19584 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 6 6 CYS H H 1 8.50 . . 1 . . . . 412 C HN . 19584 1 2 . 1 1 6 6 CYS C C 13 174.75 . . 1 . . . . 412 C CO . 19584 1 3 . 1 1 6 6 CYS CA C 13 58.45 . . 1 . . . . 412 C CA . 19584 1 4 . 1 1 6 6 CYS CB C 13 27.98 . . 1 . . . . 412 C CB . 19584 1 5 . 1 1 6 6 CYS N N 15 120.80 . . 1 . . . . 412 C N . 19584 1 6 . 1 1 7 7 GLU H H 1 8.47 . . 1 . . . . 413 E HN . 19584 1 7 . 1 1 7 7 GLU C C 13 174.60 . . 1 . . . . 413 E CO . 19584 1 8 . 1 1 7 7 GLU CA C 13 57.09 . . 1 . . . . 413 E CA . 19584 1 9 . 1 1 7 7 GLU CB C 13 30.13 . . 1 . . . . 413 E CB . 19584 1 10 . 1 1 7 7 GLU N N 15 122.90 . . 1 . . . . 413 E N . 19584 1 11 . 1 1 8 8 GLY H H 1 8.41 . . 1 . . . . 414 G HN . 19584 1 12 . 1 1 8 8 GLY C C 13 176.05 . . 1 . . . . 414 G CO . 19584 1 13 . 1 1 8 8 GLY CA C 13 45.45 . . 1 . . . . 414 G CA . 19584 1 14 . 1 1 8 8 GLY N N 15 109.65 . . 1 . . . . 414 G N . 19584 1 15 . 1 1 9 9 ARG H H 1 8.22 . . 1 . . . . 415 R HN . 19584 1 16 . 1 1 9 9 ARG C C 13 174.25 . . 1 . . . . 415 R CO . 19584 1 17 . 1 1 9 9 ARG CA C 13 55.49 . . 1 . . . . 415 R CA . 19584 1 18 . 1 1 9 9 ARG CB C 13 30.91 . . 1 . . . . 415 R CB . 19584 1 19 . 1 1 9 9 ARG N N 15 120.27 . . 1 . . . . 415 R N . 19584 1 20 . 1 1 10 10 GLY H H 1 8.42 . . 1 . . . . 416 G HN . 19584 1 21 . 1 1 10 10 GLY C C 13 176.60 . . 1 . . . . 416 G CO . 19584 1 22 . 1 1 10 10 GLY CA C 13 45.23 . . 1 . . . . 416 G CA . 19584 1 23 . 1 1 10 10 GLY N N 15 109.68 . . 1 . . . . 416 G N . 19584 1 24 . 1 1 11 11 LEU H H 1 8.08 . . 1 . . . . 417 L HN . 19584 1 25 . 1 1 11 11 LEU C C 13 173.67 . . 1 . . . . 417 L CO . 19584 1 26 . 1 1 11 11 LEU CA C 13 54.45 . . 1 . . . . 417 L CA . 19584 1 27 . 1 1 11 11 LEU CB C 13 44.06 . . 1 . . . . 417 L CB . 19584 1 28 . 1 1 11 11 LEU N N 15 119.88 . . 1 . . . . 417 L N . 19584 1 29 . 1 1 12 12 SER H H 1 7.58 . . 1 . . . . 418 S HN . 19584 1 30 . 1 1 12 12 SER C C 13 174.60 . . 1 . . . . 418 S CO . 19584 1 31 . 1 1 12 12 SER CA C 13 56.89 . . 1 . . . . 418 S CA . 19584 1 32 . 1 1 12 12 SER CB C 13 66.56 . . 1 . . . . 418 S CB . 19584 1 33 . 1 1 12 12 SER N N 15 115.65 . . 1 . . . . 418 S N . 19584 1 34 . 1 1 13 13 VAL H H 1 7.58 . . 1 . . . . 419 V HN . 19584 1 35 . 1 1 13 13 VAL C C 13 174.63 . . 1 . . . . 419 V CO . 19584 1 36 . 1 1 13 13 VAL CA C 13 63.25 . . 1 . . . . 419 V CA . 19584 1 37 . 1 1 13 13 VAL CB C 13 31.46 . . 1 . . . . 419 V CB . 19584 1 38 . 1 1 13 13 VAL N N 15 115.37 . . 1 . . . . 419 V N . 19584 1 39 . 1 1 14 14 HIS H H 1 7.79 . . 1 . . . . 420 H HN . 19584 1 40 . 1 1 14 14 HIS C C 13 175.50 . . 1 . . . . 420 H CO . 19584 1 41 . 1 1 14 14 HIS CA C 13 56.08 . . 1 . . . . 420 H CA . 19584 1 42 . 1 1 14 14 HIS CB C 13 29.80 . . 1 . . . . 420 H CB . 19584 1 43 . 1 1 14 14 HIS N N 15 118.61 . . 1 . . . . 420 H N . 19584 1 44 . 1 1 15 15 MET H H 1 7.38 . . 1 . . . . 421 M HN . 19584 1 45 . 1 1 15 15 MET C C 13 176.35 . . 1 . . . . 421 M CO . 19584 1 46 . 1 1 15 15 MET CA C 13 55.79 . . 1 . . . . 421 M CA . 19584 1 47 . 1 1 15 15 MET CB C 13 34.35 . . 1 . . . . 421 M CB . 19584 1 48 . 1 1 15 15 MET N N 15 119.20 . . 1 . . . . 421 M N . 19584 1 49 . 1 1 16 16 ASP H H 1 8.47 . . 1 . . . . 422 D HN . 19584 1 50 . 1 1 16 16 ASP C C 13 174.80 . . 1 . . . . 422 D CO . 19584 1 51 . 1 1 16 16 ASP CA C 13 54.44 . . 1 . . . . 422 D CA . 19584 1 52 . 1 1 16 16 ASP CB C 13 41.58 . . 1 . . . . 422 D CB . 19584 1 53 . 1 1 16 16 ASP N N 15 120.06 . . 1 . . . . 422 D N . 19584 1 54 . 1 1 17 17 MET H H 1 8.85 . . 1 . . . . 423 M HN . 19584 1 55 . 1 1 17 17 MET C C 13 176.81 . . 1 . . . . 423 M CO . 19584 1 56 . 1 1 17 17 MET CA C 13 59.53 . . 1 . . . . 423 M CA . 19584 1 57 . 1 1 17 17 MET CB C 13 33.45 . . 1 . . . . 423 M CB . 19584 1 58 . 1 1 17 17 MET N N 15 122.10 . . 1 . . . . 423 M N . 19584 1 59 . 1 1 18 18 ALA H H 1 8.86 . . 1 . . . . 424 A HN . 19584 1 60 . 1 1 18 18 ALA C C 13 179.55 . . 1 . . . . 424 A CO . 19584 1 61 . 1 1 18 18 ALA CA C 13 55.89 . . 1 . . . . 424 A CA . 19584 1 62 . 1 1 18 18 ALA CB C 13 17.61 . . 1 . . . . 424 A CB . 19584 1 63 . 1 1 18 18 ALA N N 15 123.35 . . 1 . . . . 424 A N . 19584 1 64 . 1 1 19 19 SER H H 1 7.96 . . 1 . . . . 425 S HN . 19584 1 65 . 1 1 19 19 SER C C 13 179.75 . . 1 . . . . 425 S CO . 19584 1 66 . 1 1 19 19 SER CA C 13 57.89 . . 1 . . . . 425 S CA . 19584 1 67 . 1 1 19 19 SER CB C 13 62.52 . . 1 . . . . 425 S CB . 19584 1 68 . 1 1 19 19 SER N N 15 115.90 . . 1 . . . . 425 S N . 19584 1 69 . 1 1 20 20 VAL H H 1 7.70 . . 1 . . . . 426 V HN . 19584 1 70 . 1 1 20 20 VAL C C 13 177.35 . . 1 . . . . 426 V CO . 19584 1 71 . 1 1 20 20 VAL CA C 13 67.36 . . 1 . . . . 426 V CA . 19584 1 72 . 1 1 20 20 VAL CB C 13 32.10 . . 1 . . . . 426 V CB . 19584 1 73 . 1 1 20 20 VAL N N 15 124.20 . . 1 . . . . 426 V N . 19584 1 74 . 1 1 21 21 THR H H 1 8.19 . . 1 . . . . 427 T HN . 19584 1 75 . 1 1 21 21 THR C C 13 177.25 . . 1 . . . . 427 T CO . 19584 1 76 . 1 1 21 21 THR CB C 13 67.48 . . 1 . . . . 427 T CB . 19584 1 77 . 1 1 21 21 THR N N 15 115.53 . . 1 . . . . 427 T N . 19584 1 78 . 1 1 22 22 LYS H H 1 8.27 . . 1 . . . . 428 K HN . 19584 1 79 . 1 1 22 22 LYS C C 13 176.01 . . 1 . . . . 428 K CO . 19584 1 80 . 1 1 22 22 LYS CA C 13 59.82 . . 1 . . . . 428 K CA . 19584 1 81 . 1 1 22 22 LYS CB C 13 32.54 . . 1 . . . . 428 K CB . 19584 1 82 . 1 1 22 22 LYS N N 15 120.34 . . 1 . . . . 428 K N . 19584 1 83 . 1 1 23 23 ALA H H 1 7.34 . . 1 . . . . 429 A HN . 19584 1 84 . 1 1 23 23 ALA C C 13 178.95 . . 1 . . . . 429 A CO . 19584 1 85 . 1 1 23 23 ALA CA C 13 54.67 . . 1 . . . . 429 A CA . 19584 1 86 . 1 1 23 23 ALA CB C 13 18.65 . . 1 . . . . 429 A CB . 19584 1 87 . 1 1 23 23 ALA N N 15 120.71 . . 1 . . . . 429 A N . 19584 1 88 . 1 1 24 24 MET H H 1 7.60 . . 1 . . . . 430 M HN . 19584 1 89 . 1 1 24 24 MET C C 13 180.04 . . 1 . . . . 430 M CO . 19584 1 90 . 1 1 24 24 MET CA C 13 59.15 . . 1 . . . . 430 M CA . 19584 1 91 . 1 1 24 24 MET CB C 13 32.96 . . 1 . . . . 430 M CB . 19584 1 92 . 1 1 24 24 MET N N 15 119.80 . . 1 . . . . 430 M N . 19584 1 93 . 1 1 25 25 ALA H H 1 7.37 . . 1 . . . . 431 A HN . 19584 1 94 . 1 1 25 25 ALA C C 13 176.39 . . 1 . . . . 431 A CO . 19584 1 95 . 1 1 25 25 ALA CA C 13 51.84 . . 1 . . . . 431 A CA . 19584 1 96 . 1 1 25 25 ALA CB C 13 17.88 . . 1 . . . . 431 A CB . 19584 1 97 . 1 1 25 25 ALA N N 15 118.33 . . 1 . . . . 431 A N . 19584 1 98 . 1 1 26 26 ALA H H 1 6.88 . . 1 . . . . 432 A HN . 19584 1 99 . 1 1 26 26 ALA C C 13 177.11 . . 1 . . . . 432 A CO . 19584 1 100 . 1 1 26 26 ALA CA C 13 50.87 . . 1 . . . . 432 A CA . 19584 1 101 . 1 1 26 26 ALA CB C 13 17.52 . . 1 . . . . 432 A CB . 19584 1 102 . 1 1 26 26 ALA N N 15 123.87 . . 1 . . . . 432 A N . 19584 1 103 . 1 1 27 27 PRO CA C 13 64.08 . . 1 . . . . 433 P CA . 19584 1 104 . 1 1 27 27 PRO CB C 13 31.71 . . 1 . . . . 433 P CB . 19584 1 105 . 1 1 28 28 GLU H H 1 8.74 . . 1 . . . . 434 E HN . 19584 1 106 . 1 1 28 28 GLU C C 13 178.12 . . 1 . . . . 434 E CO . 19584 1 107 . 1 1 28 28 GLU CA C 13 56.30 . . 1 . . . . 434 E CA . 19584 1 108 . 1 1 28 28 GLU CB C 13 27.51 . . 1 . . . . 434 E CB . 19584 1 109 . 1 1 28 28 GLU N N 15 115.62 . . 1 . . . . 434 E N . 19584 1 110 . 1 1 29 29 SER H H 1 8.08 . . 1 . . . . 435 S HN . 19584 1 111 . 1 1 29 29 SER C C 13 177.45 . . 1 . . . . 435 S CO . 19584 1 112 . 1 1 29 29 SER CA C 13 59.81 . . 1 . . . . 435 S CA . 19584 1 113 . 1 1 29 29 SER CB C 13 64.50 . . 1 . . . . 435 S CB . 19584 1 114 . 1 1 29 29 SER N N 15 116.12 . . 1 . . . . 435 S N . 19584 1 115 . 1 1 30 30 GLY H H 1 8.72 . . 1 . . . . 436 G HN . 19584 1 116 . 1 1 30 30 GLY C C 13 176.78 . . 1 . . . . 436 G CO . 19584 1 117 . 1 1 30 30 GLY CA C 13 44.93 . . 1 . . . . 436 G CA . 19584 1 118 . 1 1 30 30 GLY N N 15 111.95 . . 1 . . . . 436 G N . 19584 1 119 . 1 1 31 31 LEU H H 1 7.91 . . 1 . . . . 437 L HN . 19584 1 120 . 1 1 31 31 LEU C C 13 174.20 . . 1 . . . . 437 L CO . 19584 1 121 . 1 1 31 31 LEU CA C 13 54.17 . . 1 . . . . 437 L CA . 19584 1 122 . 1 1 31 31 LEU CB C 13 41.74 . . 1 . . . . 437 L CB . 19584 1 123 . 1 1 31 31 LEU N N 15 124.41 . . 1 . . . . 437 L N . 19584 1 124 . 1 1 32 32 GLU H H 1 8.93 . . 1 . . . . 438 E HN . 19584 1 125 . 1 1 32 32 GLU C C 13 175.82 . . 1 . . . . 438 E CO . 19584 1 126 . 1 1 32 32 GLU CA C 13 57.24 . . 1 . . . . 438 E CA . 19584 1 127 . 1 1 32 32 GLU CB C 13 29.80 . . 1 . . . . 438 E CB . 19584 1 128 . 1 1 32 32 GLU N N 15 130.21 . . 1 . . . . 438 E N . 19584 1 129 . 1 1 33 33 VAL H H 1 8.22 . . 1 . . . . 439 V HN . 19584 1 130 . 1 1 33 33 VAL C C 13 174.57 . . 1 . . . . 439 V CO . 19584 1 131 . 1 1 33 33 VAL CA C 13 61.10 . . 1 . . . . 439 V CA . 19584 1 132 . 1 1 33 33 VAL CB C 13 33.56 . . 1 . . . . 439 V CB . 19584 1 133 . 1 1 33 33 VAL N N 15 128.25 . . 1 . . . . 439 V N . 19584 1 134 . 1 1 34 34 ARG H H 1 8.91 . . 1 . . . . 440 R HN . 19584 1 135 . 1 1 34 34 ARG C C 13 175.71 . . 1 . . . . 440 R CO . 19584 1 136 . 1 1 34 34 ARG CA C 13 54.99 . . 1 . . . . 440 R CA . 19584 1 137 . 1 1 34 34 ARG CB C 13 33.20 . . 1 . . . . 440 R CB . 19584 1 138 . 1 1 34 34 ARG N N 15 121.97 . . 1 . . . . 440 R N . 19584 1 139 . 1 1 35 35 ASP H H 1 8.77 . . 1 . . . . 441 D HN . 19584 1 140 . 1 1 35 35 ASP C C 13 174.98 . . 1 . . . . 441 D CO . 19584 1 141 . 1 1 35 35 ASP CA C 13 54.87 . . 1 . . . . 441 D CA . 19584 1 142 . 1 1 35 35 ASP CB C 13 39.94 . . 1 . . . . 441 D CB . 19584 1 143 . 1 1 35 35 ASP N N 15 123.89 . . 1 . . . . 441 D N . 19584 1 144 . 1 1 36 36 ARG H H 1 8.77 . . 1 . . . . 442 R HN . 19584 1 145 . 1 1 36 36 ARG C C 13 176.40 . . 1 . . . . 442 R CO . 19584 1 146 . 1 1 36 36 ARG CA C 13 52.55 . . 1 . . . . 442 R CA . 19584 1 147 . 1 1 36 36 ARG CB C 13 32.72 . . 1 . . . . 442 R CB . 19584 1 148 . 1 1 36 36 ARG N N 15 121.39 . . 1 . . . . 442 R N . 19584 1 149 . 1 1 37 37 MET H H 1 8.39 . . 1 . . . . 443 M HN . 19584 1 150 . 1 1 37 37 MET C C 13 174.77 . . 1 . . . . 443 M CO . 19584 1 151 . 1 1 37 37 MET CA C 13 54.69 . . 1 . . . . 443 M CA . 19584 1 152 . 1 1 37 37 MET CB C 13 33.43 . . 1 . . . . 443 M CB . 19584 1 153 . 1 1 37 37 MET N N 15 122.05 . . 1 . . . . 443 M N . 19584 1 154 . 1 1 38 38 TRP H H 1 8.88 . . 1 . . . . 444 W HN . 19584 1 155 . 1 1 38 38 TRP C C 13 175.41 . . 1 . . . . 444 W CO . 19584 1 156 . 1 1 38 38 TRP CA C 13 56.40 . . 1 . . . . 444 W CA . 19584 1 157 . 1 1 38 38 TRP CB C 13 31.03 . . 1 . . . . 444 W CB . 19584 1 158 . 1 1 38 38 TRP N N 15 127.54 . . 1 . . . . 444 W N . 19584 1 159 . 1 1 39 39 LEU H H 1 6.33 . . 1 . . . . 445 L HN . 19584 1 160 . 1 1 39 39 LEU C C 13 179.00 . . 1 . . . . 445 L CO . 19584 1 161 . 1 1 39 39 LEU CA C 13 53.49 . . 1 . . . . 445 L CA . 19584 1 162 . 1 1 39 39 LEU CB C 13 37.28 . . 1 . . . . 445 L CB . 19584 1 163 . 1 1 39 39 LEU N N 15 125.39 . . 1 . . . . 445 L N . 19584 1 164 . 1 1 40 40 LYS H H 1 7.53 . . 1 . . . . 446 K HN . 19584 1 165 . 1 1 40 40 LYS C C 13 174.07 . . 1 . . . . 446 K CO . 19584 1 166 . 1 1 40 40 LYS CA C 13 55.46 . . 1 . . . . 446 K CA . 19584 1 167 . 1 1 40 40 LYS CB C 13 34.71 . . 1 . . . . 446 K CB . 19584 1 168 . 1 1 40 40 LYS N N 15 123.20 . . 1 . . . . 446 K N . 19584 1 169 . 1 1 41 41 ILE H H 1 8.24 . . 1 . . . . 447 I HN . 19584 1 170 . 1 1 41 41 ILE C C 13 175.21 . . 1 . . . . 447 I CO . 19584 1 171 . 1 1 41 41 ILE CA C 13 62.15 . . 1 . . . . 447 I CA . 19584 1 172 . 1 1 41 41 ILE CB C 13 39.33 . . 1 . . . . 447 I CB . 19584 1 173 . 1 1 41 41 ILE N N 15 117.21 . . 1 . . . . 447 I N . 19584 1 174 . 1 1 42 42 THR H H 1 7.73 . . 1 . . . . 448 T HN . 19584 1 175 . 1 1 42 42 THR C C 13 176.58 . . 1 . . . . 448 T CO . 19584 1 176 . 1 1 42 42 THR CA C 13 61.20 . . 1 . . . . 448 T CA . 19584 1 177 . 1 1 42 42 THR CB C 13 70.10 . . 1 . . . . 448 T CB . 19584 1 178 . 1 1 42 42 THR N N 15 113.13 . . 1 . . . . 448 T N . 19584 1 179 . 1 1 44 44 PRO CA C 13 61.97 . . 1 . . . . 450 P CA . 19584 1 180 . 1 1 44 44 PRO CB C 13 32.27 . . 1 . . . . 450 P CB . 19584 1 181 . 1 1 45 45 ASN H H 1 8.65 . . 1 . . . . 451 N HN . 19584 1 182 . 1 1 45 45 ASN C C 13 177.15 . . 1 . . . . 451 N CO . 19584 1 183 . 1 1 45 45 ASN CA C 13 54.50 . . 1 . . . . 451 N CA . 19584 1 184 . 1 1 45 45 ASN CB C 13 38.07 . . 1 . . . . 451 N CB . 19584 1 185 . 1 1 45 45 ASN N N 15 115.80 . . 1 . . . . 451 N N . 19584 1 186 . 1 1 46 46 ALA H H 1 7.61 . . 1 . . . . 452 A HN . 19584 1 187 . 1 1 46 46 ALA C C 13 171.70 . . 1 . . . . 452 A CO . 19584 1 188 . 1 1 46 46 ALA CA C 13 50.22 . . 1 . . . . 452 A CA . 19584 1 189 . 1 1 46 46 ALA CB C 13 22.91 . . 1 . . . . 452 A CB . 19584 1 190 . 1 1 46 46 ALA N N 15 119.14 . . 1 . . . . 452 A N . 19584 1 191 . 1 1 47 47 PHE H H 1 8.49 . . 1 . . . . 453 F HN . 19584 1 192 . 1 1 47 47 PHE C C 13 178.10 . . 1 . . . . 453 F CO . 19584 1 193 . 1 1 47 47 PHE CA C 13 54.01 . . 1 . . . . 453 F CA . 19584 1 194 . 1 1 47 47 PHE CB C 13 40.63 . . 1 . . . . 453 F CB . 19584 1 195 . 1 1 47 47 PHE N N 15 116.60 . . 1 . . . . 453 F N . 19584 1 196 . 1 1 48 48 LEU H H 1 9.50 . . 1 . . . . 454 L HN . 19584 1 197 . 1 1 48 48 LEU C C 13 174.41 . . 1 . . . . 454 L CO . 19584 1 198 . 1 1 48 48 LEU CA C 13 54.13 . . 1 . . . . 454 L CA . 19584 1 199 . 1 1 48 48 LEU CB C 13 44.75 . . 1 . . . . 454 L CB . 19584 1 200 . 1 1 48 48 LEU N N 15 124.06 . . 1 . . . . 454 L N . 19584 1 201 . 1 1 49 49 GLY H H 1 9.25 . . 1 . . . . 455 G HN . 19584 1 202 . 1 1 49 49 GLY C C 13 179.56 . . 1 . . . . 455 G CO . 19584 1 203 . 1 1 49 49 GLY CA C 13 49.37 . . 1 . . . . 455 G CA . 19584 1 204 . 1 1 49 49 GLY N N 15 112.43 . . 1 . . . . 455 G N . 19584 1 205 . 1 1 50 50 SER H H 1 8.97 . . 1 . . . . 456 S HN . 19584 1 206 . 1 1 50 50 SER C C 13 176.15 . . 1 . . . . 456 S CO . 19584 1 207 . 1 1 50 50 SER CA C 13 61.14 . . 1 . . . . 456 S CA . 19584 1 208 . 1 1 50 50 SER CB C 13 62.28 . . 1 . . . . 456 S CB . 19584 1 209 . 1 1 50 50 SER N N 15 117.53 . . 1 . . . . 456 S N . 19584 1 210 . 1 1 51 51 ASP H H 1 6.89 . . 1 . . . . 457 D HN . 19584 1 211 . 1 1 51 51 ASP C C 13 176.08 . . 1 . . . . 457 D CO . 19584 1 212 . 1 1 51 51 ASP CA C 13 57.00 . . 1 . . . . 457 D CA . 19584 1 213 . 1 1 51 51 ASP CB C 13 39.93 . . 1 . . . . 457 D CB . 19584 1 214 . 1 1 51 51 ASP N N 15 120.58 . . 1 . . . . 457 D N . 19584 1 215 . 1 1 52 52 VAL H H 1 7.97 . . 1 . . . . 458 V HN . 19584 1 216 . 1 1 52 52 VAL C C 13 179.62 . . 1 . . . . 458 V CO . 19584 1 217 . 1 1 52 52 VAL CA C 13 66.10 . . 1 . . . . 458 V CA . 19584 1 218 . 1 1 52 52 VAL CB C 13 31.57 . . 1 . . . . 458 V CB . 19584 1 219 . 1 1 52 52 VAL N N 15 122.42 . . 1 . . . . 458 V N . 19584 1 220 . 1 1 53 53 VAL H H 1 7.81 . . 1 . . . . 459 V HN . 19584 1 221 . 1 1 53 53 VAL C C 13 176.75 . . 1 . . . . 459 V CO . 19584 1 222 . 1 1 53 53 VAL CA C 13 68.13 . . 1 . . . . 459 V CA . 19584 1 223 . 1 1 53 53 VAL CB C 13 31.71 . . 1 . . . . 459 V CB . 19584 1 224 . 1 1 53 53 VAL N N 15 119.91 . . 1 . . . . 459 V N . 19584 1 225 . 1 1 54 54 ASP H H 1 8.30 . . 1 . . . . 460 D HN . 19584 1 226 . 1 1 54 54 ASP C C 13 177.47 . . 1 . . . . 460 D CO . 19584 1 227 . 1 1 54 54 ASP CA C 13 58.20 . . 1 . . . . 460 D CA . 19584 1 228 . 1 1 54 54 ASP CB C 13 40.77 . . 1 . . . . 460 D CB . 19584 1 229 . 1 1 54 54 ASP N N 15 117.92 . . 1 . . . . 460 D N . 19584 1 230 . 1 1 55 55 TRP H H 1 8.66 . . 1 . . . . 461 W HN . 19584 1 231 . 1 1 55 55 TRP C C 13 178.11 . . 1 . . . . 461 W CO . 19584 1 232 . 1 1 55 55 TRP CA C 13 63.10 . . 1 . . . . 461 W CA . 19584 1 233 . 1 1 55 55 TRP CB C 13 29.78 . . 1 . . . . 461 W CB . 19584 1 234 . 1 1 55 55 TRP N N 15 121.54 . . 1 . . . . 461 W N . 19584 1 235 . 1 1 56 56 LEU H H 1 8.96 . . 1 . . . . 462 L HN . 19584 1 236 . 1 1 56 56 LEU C C 13 180.38 . . 1 . . . . 462 L CO . 19584 1 237 . 1 1 56 56 LEU CA C 13 57.84 . . 1 . . . . 462 L CA . 19584 1 238 . 1 1 56 56 LEU CB C 13 42.87 . . 1 . . . . 462 L CB . 19584 1 239 . 1 1 56 56 LEU N N 15 120.81 . . 1 . . . . 462 L N . 19584 1 240 . 1 1 57 57 TYR H H 1 8.37 . . 1 . . . . 463 Y HN . 19584 1 241 . 1 1 57 57 TYR C C 13 177.48 . . 1 . . . . 463 Y CO . 19584 1 242 . 1 1 57 57 TYR CA C 13 59.12 . . 1 . . . . 463 Y CA . 19584 1 243 . 1 1 57 57 TYR CB C 13 38.38 . . 1 . . . . 463 Y CB . 19584 1 244 . 1 1 57 57 TYR N N 15 115.81 . . 1 . . . . 463 Y N . 19584 1 245 . 1 1 58 58 HIS H H 1 7.85 . . 1 . . . . 464 H HN . 19584 1 246 . 1 1 58 58 HIS C C 13 177.30 . . 1 . . . . 464 H CO . 19584 1 247 . 1 1 58 58 HIS CA C 13 56.79 . . 1 . . . . 464 H CA . 19584 1 248 . 1 1 58 58 HIS CB C 13 30.12 . . 1 . . . . 464 H CB . 19584 1 249 . 1 1 58 58 HIS N N 15 111.64 . . 1 . . . . 464 H N . 19584 1 250 . 1 1 59 59 HIS H H 1 7.97 . . 1 . . . . 465 H HN . 19584 1 251 . 1 1 59 59 HIS C C 13 176.15 . . 1 . . . . 465 H CO . 19584 1 252 . 1 1 59 59 HIS CA C 13 57.06 . . 1 . . . . 465 H CA . 19584 1 253 . 1 1 59 59 HIS CB C 13 28.86 . . 1 . . . . 465 H CB . 19584 1 254 . 1 1 59 59 HIS N N 15 113.31 . . 1 . . . . 465 H N . 19584 1 255 . 1 1 60 60 VAL H H 1 7.83 . . 1 . . . . 466 V HN . 19584 1 256 . 1 1 60 60 VAL C C 13 173.10 . . 1 . . . . 466 V CO . 19584 1 257 . 1 1 60 60 VAL CA C 13 61.09 . . 1 . . . . 466 V CA . 19584 1 258 . 1 1 60 60 VAL CB C 13 31.77 . . 1 . . . . 466 V CB . 19584 1 259 . 1 1 60 60 VAL N N 15 120.99 . . 1 . . . . 466 V N . 19584 1 260 . 1 1 61 61 GLU H H 1 8.16 . . 1 . . . . 467 E HN . 19584 1 261 . 1 1 61 61 GLU C C 13 174.00 . . 1 . . . . 467 E CO . 19584 1 262 . 1 1 61 61 GLU CA C 13 57.14 . . 1 . . . . 467 E CA . 19584 1 263 . 1 1 61 61 GLU CB C 13 30.25 . . 1 . . . . 467 E CB . 19584 1 264 . 1 1 61 61 GLU N N 15 127.60 . . 1 . . . . 467 E N . 19584 1 265 . 1 1 62 62 GLY H H 1 8.45 . . 1 . . . . 468 G HN . 19584 1 266 . 1 1 62 62 GLY C C 13 176.82 . . 1 . . . . 468 G CO . 19584 1 267 . 1 1 62 62 GLY CA C 13 45.08 . . 1 . . . . 468 G CA . 19584 1 268 . 1 1 62 62 GLY N N 15 110.01 . . 1 . . . . 468 G N . 19584 1 269 . 1 1 63 63 PHE H H 1 7.95 . . 1 . . . . 469 F HN . 19584 1 270 . 1 1 63 63 PHE C C 13 174.54 . . 1 . . . . 469 F CO . 19584 1 271 . 1 1 63 63 PHE CA C 13 54.45 . . 1 . . . . 469 F CA . 19584 1 272 . 1 1 63 63 PHE CB C 13 39.41 . . 1 . . . . 469 F CB . 19584 1 273 . 1 1 63 63 PHE N N 15 120.02 . . 1 . . . . 469 F N . 19584 1 274 . 1 1 64 64 PRO CA C 13 64.32 . . 1 . . . . 470 P CA . 19584 1 275 . 1 1 64 64 PRO CB C 13 32.29 . . 1 . . . . 470 P CB . 19584 1 276 . 1 1 65 65 GLU H H 1 7.10 . . 1 . . . . 471 E HN . 19584 1 277 . 1 1 65 65 GLU C C 13 176.19 . . 1 . . . . 471 E CO . 19584 1 278 . 1 1 65 65 GLU CA C 13 54.07 . . 1 . . . . 471 E CA . 19584 1 279 . 1 1 65 65 GLU CB C 13 32.96 . . 1 . . . . 471 E CB . 19584 1 280 . 1 1 65 65 GLU N N 15 109.96 . . 1 . . . . 471 E N . 19584 1 281 . 1 1 66 66 ARG CA C 13 59.79 . . 1 . . . . 472 R CA . 19584 1 282 . 1 1 66 66 ARG CB C 13 30.67 . . 1 . . . . 472 R CB . 19584 1 283 . 1 1 67 67 ARG H H 1 8.75 . . 1 . . . . 473 R HN . 19584 1 284 . 1 1 67 67 ARG C C 13 178.31 . . 1 . . . . 473 R CO . 19584 1 285 . 1 1 67 67 ARG CA C 13 59.49 . . 1 . . . . 473 R CA . 19584 1 286 . 1 1 67 67 ARG CB C 13 29.38 . . 1 . . . . 473 R CB . 19584 1 287 . 1 1 67 67 ARG N N 15 117.31 . . 1 . . . . 473 R N . 19584 1 288 . 1 1 68 68 GLU H H 1 7.49 . . 1 . . . . 474 E HN . 19584 1 289 . 1 1 68 68 GLU C C 13 178.75 . . 1 . . . . 474 E CO . 19584 1 290 . 1 1 68 68 GLU CA C 13 58.73 . . 1 . . . . 474 E CA . 19584 1 291 . 1 1 68 68 GLU CB C 13 29.61 . . 1 . . . . 474 E CB . 19584 1 292 . 1 1 68 68 GLU N N 15 117.87 . . 1 . . . . 474 E N . 19584 1 293 . 1 1 69 69 ALA H H 1 6.98 . . 1 . . . . 475 A HN . 19584 1 294 . 1 1 69 69 ALA C C 13 178.75 . . 1 . . . . 475 A CO . 19584 1 295 . 1 1 69 69 ALA CA C 13 54.10 . . 1 . . . . 475 A CA . 19584 1 296 . 1 1 69 69 ALA CB C 13 17.57 . . 1 . . . . 475 A CB . 19584 1 297 . 1 1 69 69 ALA N N 15 124.18 . . 1 . . . . 475 A N . 19584 1 298 . 1 1 70 70 ARG H H 1 7.68 . . 1 . . . . 476 R HN . 19584 1 299 . 1 1 70 70 ARG C C 13 178.39 . . 1 . . . . 476 R CO . 19584 1 300 . 1 1 70 70 ARG CA C 13 59.26 . . 1 . . . . 476 R CA . 19584 1 301 . 1 1 70 70 ARG CB C 13 29.22 . . 1 . . . . 476 R CB . 19584 1 302 . 1 1 70 70 ARG N N 15 119.93 . . 1 . . . . 476 R N . 19584 1 303 . 1 1 71 71 LYS H H 1 7.61 . . 1 . . . . 477 K HN . 19584 1 304 . 1 1 71 71 LYS C C 13 177.82 . . 1 . . . . 477 K CO . 19584 1 305 . 1 1 71 71 LYS CA C 13 59.39 . . 1 . . . . 477 K CA . 19584 1 306 . 1 1 71 71 LYS CB C 13 32.10 . . 1 . . . . 477 K CB . 19584 1 307 . 1 1 71 71 LYS N N 15 120.00 . . 1 . . . . 477 K N . 19584 1 308 . 1 1 72 72 TYR H H 1 7.71 . . 1 . . . . 478 Y HN . 19584 1 309 . 1 1 72 72 TYR C C 13 179.47 . . 1 . . . . 478 Y CO . 19584 1 310 . 1 1 72 72 TYR CA C 13 61.35 . . 1 . . . . 478 Y CA . 19584 1 311 . 1 1 72 72 TYR CB C 13 39.21 . . 1 . . . . 478 Y CB . 19584 1 312 . 1 1 72 72 TYR N N 15 123.07 . . 1 . . . . 478 Y N . 19584 1 313 . 1 1 73 73 ALA H H 1 8.10 . . 1 . . . . 479 A HN . 19584 1 314 . 1 1 73 73 ALA C C 13 178.15 . . 1 . . . . 479 A CO . 19584 1 315 . 1 1 73 73 ALA CA C 13 55.30 . . 1 . . . . 479 A CA . 19584 1 316 . 1 1 73 73 ALA CB C 13 17.56 . . 1 . . . . 479 A CB . 19584 1 317 . 1 1 73 73 ALA N N 15 122.45 . . 1 . . . . 479 A N . 19584 1 318 . 1 1 74 74 SER H H 1 7.58 . . 1 . . . . 480 S HN . 19584 1 319 . 1 1 74 74 SER C C 13 178.41 . . 1 . . . . 480 S CO . 19584 1 320 . 1 1 74 74 SER CA C 13 62.20 . . 1 . . . . 480 S CA . 19584 1 321 . 1 1 74 74 SER CB C 13 60.90 . . 1 . . . . 480 S CB . 19584 1 322 . 1 1 74 74 SER N N 15 111.50 . . 1 . . . . 480 S N . 19584 1 323 . 1 1 75 75 GLY H H 1 7.84 . . 1 . . . . 481 G HN . 19584 1 324 . 1 1 75 75 GLY C C 13 176.75 . . 1 . . . . 481 G CO . 19584 1 325 . 1 1 75 75 GLY CA C 13 47.03 . . 1 . . . . 481 G CA . 19584 1 326 . 1 1 75 75 GLY N N 15 111.54 . . 1 . . . . 481 G N . 19584 1 327 . 1 1 76 76 LEU H H 1 8.00 . . 1 . . . . 482 L HN . 19584 1 328 . 1 1 76 76 LEU C C 13 176.65 . . 1 . . . . 482 L CO . 19584 1 329 . 1 1 76 76 LEU CA C 13 57.67 . . 1 . . . . 482 L CA . 19584 1 330 . 1 1 76 76 LEU CB C 13 41.74 . . 1 . . . . 482 L CB . 19584 1 331 . 1 1 76 76 LEU N N 15 123.10 . . 1 . . . . 482 L N . 19584 1 332 . 1 1 77 77 LEU H H 1 7.50 . . 1 . . . . 483 L HN . 19584 1 333 . 1 1 77 77 LEU C C 13 179.25 . . 1 . . . . 483 L CO . 19584 1 334 . 1 1 77 77 LEU CA C 13 56.92 . . 1 . . . . 483 L CA . 19584 1 335 . 1 1 77 77 LEU CB C 13 42.26 . . 1 . . . . 483 L CB . 19584 1 336 . 1 1 77 77 LEU N N 15 120.72 . . 1 . . . . 483 L N . 19584 1 337 . 1 1 78 78 LYS H H 1 8.29 . . 1 . . . . 484 K HN . 19584 1 338 . 1 1 78 78 LYS C C 13 180.50 . . 1 . . . . 484 K CO . 19584 1 339 . 1 1 78 78 LYS CA C 13 59.26 . . 1 . . . . 484 K CA . 19584 1 340 . 1 1 78 78 LYS CB C 13 32.27 . . 1 . . . . 484 K CB . 19584 1 341 . 1 1 78 78 LYS N N 15 121.86 . . 1 . . . . 484 K N . 19584 1 342 . 1 1 79 79 ALA H H 1 7.76 . . 1 . . . . 485 A HN . 19584 1 343 . 1 1 79 79 ALA C C 13 178.39 . . 1 . . . . 485 A CO . 19584 1 344 . 1 1 79 79 ALA CA C 13 52.28 . . 1 . . . . 485 A CA . 19584 1 345 . 1 1 79 79 ALA CB C 13 19.57 . . 1 . . . . 485 A CB . 19584 1 346 . 1 1 79 79 ALA N N 15 117.38 . . 1 . . . . 485 A N . 19584 1 347 . 1 1 80 80 GLY H H 1 8.01 . . 1 . . . . 486 G HN . 19584 1 348 . 1 1 80 80 GLY C C 13 177.81 . . 1 . . . . 486 G CO . 19584 1 349 . 1 1 80 80 GLY CA C 13 45.36 . . 1 . . . . 486 G CA . 19584 1 350 . 1 1 80 80 GLY N N 15 106.97 . . 1 . . . . 486 G N . 19584 1 351 . 1 1 81 81 LEU H H 1 8.00 . . 1 . . . . 487 L HN . 19584 1 352 . 1 1 81 81 LEU C C 13 174.56 . . 1 . . . . 487 L CO . 19584 1 353 . 1 1 81 81 LEU CA C 13 57.43 . . 1 . . . . 487 L CA . 19584 1 354 . 1 1 81 81 LEU CB C 13 42.15 . . 1 . . . . 487 L CB . 19584 1 355 . 1 1 81 81 LEU N N 15 121.80 . . 1 . . . . 487 L N . 19584 1 356 . 1 1 82 82 ILE H H 1 7.28 . . 1 . . . . 488 I HN . 19584 1 357 . 1 1 82 82 ILE C C 13 178.79 . . 1 . . . . 488 I CO . 19584 1 358 . 1 1 82 82 ILE CA C 13 59.69 . . 1 . . . . 488 I CA . 19584 1 359 . 1 1 82 82 ILE CB C 13 41.00 . . 1 . . . . 488 I CB . 19584 1 360 . 1 1 82 82 ILE N N 15 108.87 . . 1 . . . . 488 I N . 19584 1 361 . 1 1 83 83 ARG H H 1 9.22 . . 1 . . . . 489 R HN . 19584 1 362 . 1 1 83 83 ARG C C 13 174.00 . . 1 . . . . 489 R CO . 19584 1 363 . 1 1 83 83 ARG CA C 13 54.55 . . 1 . . . . 489 R CA . 19584 1 364 . 1 1 83 83 ARG CB C 13 33.94 . . 1 . . . . 489 R CB . 19584 1 365 . 1 1 83 83 ARG N N 15 117.44 . . 1 . . . . 489 R N . 19584 1 366 . 1 1 84 84 HIS H H 1 8.71 . . 1 . . . . 490 H HN . 19584 1 367 . 1 1 84 84 HIS C C 13 175.52 . . 1 . . . . 490 H CO . 19584 1 368 . 1 1 84 84 HIS CA C 13 57.49 . . 1 . . . . 490 H CA . 19584 1 369 . 1 1 84 84 HIS CB C 13 32.99 . . 1 . . . . 490 H CB . 19584 1 370 . 1 1 84 84 HIS N N 15 120.98 . . 1 . . . . 490 H N . 19584 1 371 . 1 1 85 85 THR H H 1 8.82 . . 1 . . . . 491 T HN . 19584 1 372 . 1 1 85 85 THR C C 13 176.68 . . 1 . . . . 491 T CO . 19584 1 373 . 1 1 85 85 THR CA C 13 61.86 . . 1 . . . . 491 T CA . 19584 1 374 . 1 1 85 85 THR CB C 13 69.08 . . 1 . . . . 491 T CB . 19584 1 375 . 1 1 85 85 THR N N 15 110.98 . . 1 . . . . 491 T N . 19584 1 376 . 1 1 86 86 VAL H H 1 7.73 . . 1 . . . . 492 V HN . 19584 1 377 . 1 1 86 86 VAL C C 13 174.89 . . 1 . . . . 492 V CO . 19584 1 378 . 1 1 86 86 VAL CA C 13 60.07 . . 1 . . . . 492 V CA . 19584 1 379 . 1 1 86 86 VAL CB C 13 33.39 . . 1 . . . . 492 V CB . 19584 1 380 . 1 1 86 86 VAL N N 15 116.71 . . 1 . . . . 492 V N . 19584 1 381 . 1 1 87 87 ASN H H 1 8.30 . . 1 . . . . 493 N HN . 19584 1 382 . 1 1 87 87 ASN C C 13 175.61 . . 1 . . . . 493 N CO . 19584 1 383 . 1 1 87 87 ASN CA C 13 56.37 . . 1 . . . . 493 N CA . 19584 1 384 . 1 1 87 87 ASN CB C 13 38.39 . . 1 . . . . 493 N CB . 19584 1 385 . 1 1 87 87 ASN N N 15 118.54 . . 1 . . . . 493 N N . 19584 1 386 . 1 1 88 88 LYS H H 1 8.07 . . 1 . . . . 494 K HN . 19584 1 387 . 1 1 88 88 LYS C C 13 176.61 . . 1 . . . . 494 K CO . 19584 1 388 . 1 1 88 88 LYS CA C 13 56.92 . . 1 . . . . 494 K CA . 19584 1 389 . 1 1 88 88 LYS CB C 13 31.42 . . 1 . . . . 494 K CB . 19584 1 390 . 1 1 88 88 LYS N N 15 114.57 . . 1 . . . . 494 K N . 19584 1 391 . 1 1 89 89 ILE H H 1 8.27 . . 1 . . . . 495 I HN . 19584 1 392 . 1 1 89 89 ILE C C 13 176.05 . . 1 . . . . 495 I CO . 19584 1 393 . 1 1 89 89 ILE CA C 13 59.98 . . 1 . . . . 495 I CA . 19584 1 394 . 1 1 89 89 ILE CB C 13 40.20 . . 1 . . . . 495 I CB . 19584 1 395 . 1 1 89 89 ILE N N 15 121.08 . . 1 . . . . 495 I N . 19584 1 396 . 1 1 90 90 THR H H 1 8.32 . . 1 . . . . 496 T HN . 19584 1 397 . 1 1 90 90 THR C C 13 175.19 . . 1 . . . . 496 T CO . 19584 1 398 . 1 1 90 90 THR CA C 13 62.27 . . 1 . . . . 496 T CA . 19584 1 399 . 1 1 90 90 THR CB C 13 69.38 . . 1 . . . . 496 T CB . 19584 1 400 . 1 1 90 90 THR N N 15 120.59 . . 1 . . . . 496 T N . 19584 1 401 . 1 1 91 91 PHE H H 1 9.20 . . 1 . . . . 497 F HN . 19584 1 402 . 1 1 91 91 PHE C C 13 174.06 . . 1 . . . . 497 F CO . 19584 1 403 . 1 1 91 91 PHE CA C 13 57.48 . . 1 . . . . 497 F CA . 19584 1 404 . 1 1 91 91 PHE CB C 13 39.22 . . 1 . . . . 497 F CB . 19584 1 405 . 1 1 91 91 PHE N N 15 130.03 . . 1 . . . . 497 F N . 19584 1 406 . 1 1 94 94 GLN H H 1 7.88 . . 1 . . . . 500 Q HN . 19584 1 407 . 1 1 94 94 GLN C C 13 175.80 . . 1 . . . . 500 Q CO . 19584 1 408 . 1 1 94 94 GLN CA C 13 56.22 . . 1 . . . . 500 Q CA . 19584 1 409 . 1 1 94 94 GLN CB C 13 28.63 . . 1 . . . . 500 Q CB . 19584 1 410 . 1 1 94 94 GLN N N 15 114.72 . . 1 . . . . 500 Q N . 19584 1 411 . 1 1 95 95 CYS H H 1 6.58 . . 1 . . . . 501 C HN . 19584 1 412 . 1 1 95 95 CYS C C 13 175.52 . . 1 . . . . 501 C CO . 19584 1 413 . 1 1 95 95 CYS CA C 13 58.13 . . 1 . . . . 501 C CA . 19584 1 414 . 1 1 95 95 CYS CB C 13 29.48 . . 1 . . . . 501 C CB . 19584 1 415 . 1 1 95 95 CYS N N 15 115.40 . . 1 . . . . 501 C N . 19584 1 416 . 1 1 96 96 TYR H H 1 7.90 . . 1 . . . . 502 Y HN . 19584 1 417 . 1 1 96 96 TYR C C 13 171.50 . . 1 . . . . 502 Y CO . 19584 1 418 . 1 1 96 96 TYR CA C 13 56.47 . . 1 . . . . 502 Y CA . 19584 1 419 . 1 1 96 96 TYR CB C 13 40.16 . . 1 . . . . 502 Y CB . 19584 1 420 . 1 1 96 96 TYR N N 15 117.34 . . 1 . . . . 502 Y N . 19584 1 421 . 1 1 97 97 TYR H H 1 9.15 . . 1 . . . . 503 Y HN . 19584 1 422 . 1 1 97 97 TYR C C 13 175.45 . . 1 . . . . 503 Y CO . 19584 1 423 . 1 1 97 97 TYR CA C 13 56.71 . . 1 . . . . 503 Y CA . 19584 1 424 . 1 1 97 97 TYR CB C 13 43.64 . . 1 . . . . 503 Y CB . 19584 1 425 . 1 1 97 97 TYR N N 15 122.90 . . 1 . . . . 503 Y N . 19584 1 426 . 1 1 98 98 VAL H H 1 7.96 . . 1 . . . . 504 V HN . 19584 1 427 . 1 1 98 98 VAL C C 13 172.20 . . 1 . . . . 504 V CO . 19584 1 428 . 1 1 98 98 VAL CA C 13 58.55 . . 1 . . . . 504 V CA . 19584 1 429 . 1 1 98 98 VAL CB C 13 35.25 . . 1 . . . . 504 V CB . 19584 1 430 . 1 1 98 98 VAL N N 15 106.72 . . 1 . . . . 504 V N . 19584 1 431 . 1 1 99 99 PHE H H 1 8.88 . . 1 . . . . 505 F HN . 19584 1 432 . 1 1 99 99 PHE C C 13 176.75 . . 1 . . . . 505 F CO . 19584 1 433 . 1 1 99 99 PHE CA C 13 61.15 . . 1 . . . . 505 F CA . 19584 1 434 . 1 1 99 99 PHE CB C 13 40.03 . . 1 . . . . 505 F CB . 19584 1 435 . 1 1 99 99 PHE N N 15 118.92 . . 1 . . . . 505 F N . 19584 1 436 . 1 1 100 100 GLY H H 1 8.15 . . 1 . . . . 506 G HN . 19584 1 437 . 1 1 100 100 GLY C C 13 177.72 . . 1 . . . . 506 G CO . 19584 1 438 . 1 1 100 100 GLY CA C 13 43.60 . . 1 . . . . 506 G CA . 19584 1 439 . 1 1 100 100 GLY N N 15 107.93 . . 1 . . . . 506 G N . 19584 1 440 . 1 1 101 101 ASP H H 1 8.13 . . 1 . . . . 507 D HN . 19584 1 441 . 1 1 101 101 ASP C C 13 172.25 . . 1 . . . . 507 D CO . 19584 1 442 . 1 1 101 101 ASP CA C 13 54.33 . . 1 . . . . 507 D CA . 19584 1 443 . 1 1 101 101 ASP CB C 13 40.58 . . 1 . . . . 507 D CB . 19584 1 444 . 1 1 101 101 ASP N N 15 119.60 . . 1 . . . . 507 D N . 19584 1 445 . 1 1 102 102 LEU H H 1 8.40 . . 1 . . . . 508 L HN . 19584 1 446 . 1 1 102 102 LEU C C 13 176.50 . . 1 . . . . 508 L CO . 19584 1 447 . 1 1 102 102 LEU CA C 13 54.33 . . 1 . . . . 508 L CA . 19584 1 448 . 1 1 102 102 LEU CB C 13 41.19 . . 1 . . . . 508 L CB . 19584 1 449 . 1 1 102 102 LEU N N 15 125.84 . . 1 . . . . 508 L N . 19584 1 450 . 1 1 103 103 SER H H 1 8.25 . . 1 . . . . 509 S HN . 19584 1 451 . 1 1 103 103 SER C C 13 177.40 . . 1 . . . . 509 S CO . 19584 1 452 . 1 1 103 103 SER CA C 13 58.99 . . 1 . . . . 509 S CA . 19584 1 453 . 1 1 103 103 SER CB C 13 63.91 . . 1 . . . . 509 S CB . 19584 1 454 . 1 1 103 103 SER N N 15 116.17 . . 1 . . . . 509 S N . 19584 1 455 . 1 1 104 104 GLY H H 1 8.06 . . 1 . . . . 510 G HN . 19584 1 456 . 1 1 104 104 GLY C C 13 174.22 . . 1 . . . . 510 G CO . 19584 1 457 . 1 1 104 104 GLY CA C 13 46.15 . . 1 . . . . 510 G CA . 19584 1 458 . 1 1 104 104 GLY N N 15 116.60 . . 1 . . . . 510 G N . 19584 1 stop_ save_