data_15381 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15381 _Entry.Title ; Solution structure of the E. coli Tat proofreading chaperone protein NapD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-17 _Entry.Accession_date 2007-07-17 _Entry.Last_release_date 2007-08-16 _Entry.Original_release_date 2007-08-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.34 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The twin-arginine transport (Tat) system is dedicated to the translocation of folded proteins across the bacterial cytoplasmic membrane. Proteins are targeted to the Tat system by signal peptides containing a twin-arginine motif. In Escherichia coli many Tat substrates bind redox-active cofactors in the cytoplasm before transport. Coordination of cofactor insertion with protein export involves a Tat proofreading process where chaperones bind twin-arginine signal peptides thus preventing premature export. The initial Tat proofreading chaperones described belonged to the TorD family required for assembly of S- and N-oxide reductases. E. coli NapD is a Tat proofreading chaperone involved in biosynthesis of the Tat-dependent nitrate reductase, NapA. High-resolution, heteronuclear, multidimensional NMR spectroscopy was used to solve the 3D solution structure of NapD. The chaperone adopts a ferredoxin-type fold, which is completely distinct from TorD. NapD represents a new family of twin-arginine signal peptide binding proteins. ; _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 Chris Spronk . A.E.M . 15381 2 Geerten Vuister . W. . 15381 3 Frank Sargent . . . 15381 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'IMM, Radboud University Nijmegen' . 15381 . . 'Spronk NMR Consultancy' . 15381 . . 'CMBI, Radboud University Nijmegen Medical Centre' . 15381 1 . 'School of Biological Sciences, University of East Anglia' . 15381 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15381 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 15381 '15N chemical shifts' 85 15381 '1H chemical shifts' 561 15381 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 . . 2007-08-16 2007-07-17 original author . 15381 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JSX 'BMRB Entry Tracking System' 15381 stop_ save_ ############### # Citations # ############### save_Primary_citation _Citation.Sf_category citations _Citation.Sf_framecode Primary_citation _Citation.Entry_ID 15381 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17901208 _Citation.Full_citation . _Citation.Title 'Structural diversity in twin-arginine signal peptide binding proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 104 _Citation.Journal_issue 40 _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 15641 _Citation.Page_last 15646 _Citation.Year 2007 _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 Julien Maillard . . . 15381 1 2 Chris Spronk . A.E.M . 15381 1 3 Grant Buchanan . . . 15381 1 4 Verity Lyall . . . 15381 1 5 David Richardson . J. . 15381 1 6 Tracy Palmer . . . 15381 1 7 Geerten Vuister . W. . 15381 1 8 Frank Sargent . . . 15381 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Escherichia coli' 15381 1 'metalloenzyme assembly chaperone' 15381 1 'NapD protein' 15381 1 'periplasmic nitrate reductase system' 15381 1 'Tat proofreading chaperone' 15381 1 'twin-arginine transport system' 15381 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15381 _Assembly.ID 1 _Assembly.Name NapD _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 . _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 NapD 1 $NapD A . yes native no no . . . 15381 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NapD _Entity.Sf_category entity _Entity.Sf_framecode NapD _Entity.Entry_ID 15381 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NapD _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 ; MHTNWQVCSLVVQAKSERIS DISTQLNAFPGCEVAVSDAP SGQLIVVVEAEDSETLIQTI ESVRNVEGVLAVSLVYHQQE EQGEETPRSHHHHHH ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10549.718 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JSX . "Solution Structure Of The E. Coli Tat Proofreading Chaperone Protein Napd" . . . . . 100.00 95 100.00 100.00 2.27e-60 . . . . 15381 1 2 no PDB 2PQ4 . "Nmr Solution Structure Of Napd In Complex With Napa1-35 Signal Peptide" . . . . . 91.58 90 100.00 100.00 1.07e-53 . . . . 15381 1 3 no DBJ BAA15990 . "assembly protein for periplasmic nitrate reductase [Escherichia coli str. K12 substr. W3110]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 4 no DBJ BAB36519 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 5 no DBJ BAG77999 . "putative nitrate reductase [Escherichia coli SE11]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 6 no DBJ BAI26345 . "periplasmic nitrate reductase assembly protein NapD [Escherichia coli O26:H11 str. 11368]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 7 no DBJ BAI31453 . "periplasmic nitrate reductase assembly protein NapD [Escherichia coli O103:H2 str. 12009]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 8 no EMBL CAP76709 . "Protein napD [Escherichia coli LF82]" . . . . . 91.58 87 98.85 98.85 1.04e-52 . . . . 15381 1 9 no EMBL CAQ32610 . "signal peptide-binding chaperone for NapA [Escherichia coli BL21(DE3)]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 10 no EMBL CAQ89798 . "assembly protein for periplasmic nitrate reductase [Escherichia fergusonii ATCC 35469]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 11 no EMBL CAQ99134 . "assembly protein for periplasmic nitrate reductase [Escherichia coli IAI1]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 12 no EMBL CAR03635 . "assembly protein for periplasmic nitrate reductase [Escherichia coli S88]" . . . . . 91.58 87 98.85 98.85 1.04e-52 . . . . 15381 1 13 no GB AAA16400 . "yojF [Escherichia coli]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 14 no GB AAC75267 . "assembly protein for periplasmic nitrate reductase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 15 no GB AAG57342 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 16 no GB AAN43810 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 17 no GB AAN81200 . "NapD protein [Escherichia coli CFT073]" . . . . . 91.58 87 98.85 98.85 1.04e-52 . . . . 15381 1 18 no REF NP_311123 . "assembly protein for periplasmic nitrate reductase [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 19 no REF NP_416711 . "assembly protein for periplasmic nitrate reductase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 20 no REF NP_708103 . "assembly protein for periplasmic nitrate reductase [Shigella flexneri 2a str. 301]" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 21 no REF WP_000557371 . "nitrate reductase [Escherichia coli]" . . . . . 91.58 87 98.85 98.85 6.41e-53 . . . . 15381 1 22 no REF WP_000557372 . "MULTISPECIES: nitrate reductase [Escherichia]" . . . . . 91.58 87 98.85 98.85 1.34e-52 . . . . 15381 1 23 no SP P0A9I5 . "RecName: Full=Protein NapD" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 24 no SP P0A9I6 . "RecName: Full=Protein NapD" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 1 25 no SP P0A9I7 . "RecName: Full=Protein NapD" . . . . . 91.58 87 100.00 100.00 7.50e-54 . . . . 15381 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 . MET . 15381 1 2 . HIS . 15381 1 3 . THR . 15381 1 4 . ASN . 15381 1 5 . TRP . 15381 1 6 . GLN . 15381 1 7 . VAL . 15381 1 8 . CYS . 15381 1 9 . SER . 15381 1 10 . LEU . 15381 1 11 . VAL . 15381 1 12 . VAL . 15381 1 13 . GLN . 15381 1 14 . ALA . 15381 1 15 . LYS . 15381 1 16 . SER . 15381 1 17 . GLU . 15381 1 18 . ARG . 15381 1 19 . ILE . 15381 1 20 . SER . 15381 1 21 . ASP . 15381 1 22 . ILE . 15381 1 23 . SER . 15381 1 24 . THR . 15381 1 25 . GLN . 15381 1 26 . LEU . 15381 1 27 . ASN . 15381 1 28 . ALA . 15381 1 29 . PHE . 15381 1 30 . PRO . 15381 1 31 . GLY . 15381 1 32 . CYS . 15381 1 33 . GLU . 15381 1 34 . VAL . 15381 1 35 . ALA . 15381 1 36 . VAL . 15381 1 37 . SER . 15381 1 38 . ASP . 15381 1 39 . ALA . 15381 1 40 . PRO . 15381 1 41 . SER . 15381 1 42 . GLY . 15381 1 43 . GLN . 15381 1 44 . LEU . 15381 1 45 . ILE . 15381 1 46 . VAL . 15381 1 47 . VAL . 15381 1 48 . VAL . 15381 1 49 . GLU . 15381 1 50 . ALA . 15381 1 51 . GLU . 15381 1 52 . ASP . 15381 1 53 . SER . 15381 1 54 . GLU . 15381 1 55 . THR . 15381 1 56 . LEU . 15381 1 57 . ILE . 15381 1 58 . GLN . 15381 1 59 . THR . 15381 1 60 . ILE . 15381 1 61 . GLU . 15381 1 62 . SER . 15381 1 63 . VAL . 15381 1 64 . ARG . 15381 1 65 . ASN . 15381 1 66 . VAL . 15381 1 67 . GLU . 15381 1 68 . GLY . 15381 1 69 . VAL . 15381 1 70 . LEU . 15381 1 71 . ALA . 15381 1 72 . VAL . 15381 1 73 . SER . 15381 1 74 . LEU . 15381 1 75 . VAL . 15381 1 76 . TYR . 15381 1 77 . HIS . 15381 1 78 . GLN . 15381 1 79 . GLN . 15381 1 80 . GLU . 15381 1 81 . GLU . 15381 1 82 . GLN . 15381 1 83 . GLY . 15381 1 84 . GLU . 15381 1 85 . GLU . 15381 1 86 . THR . 15381 1 87 . PRO . 15381 1 88 . ARG . 15381 1 89 . SER . 15381 1 90 . HIS . 15381 1 91 . HIS . 15381 1 92 . HIS . 15381 1 93 . HIS . 15381 1 94 . HIS . 15381 1 95 . HIS . 15381 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15381 1 . HIS 2 2 15381 1 . THR 3 3 15381 1 . ASN 4 4 15381 1 . TRP 5 5 15381 1 . GLN 6 6 15381 1 . VAL 7 7 15381 1 . CYS 8 8 15381 1 . SER 9 9 15381 1 . LEU 10 10 15381 1 . VAL 11 11 15381 1 . VAL 12 12 15381 1 . GLN 13 13 15381 1 . ALA 14 14 15381 1 . LYS 15 15 15381 1 . SER 16 16 15381 1 . GLU 17 17 15381 1 . ARG 18 18 15381 1 . ILE 19 19 15381 1 . SER 20 20 15381 1 . ASP 21 21 15381 1 . ILE 22 22 15381 1 . SER 23 23 15381 1 . THR 24 24 15381 1 . GLN 25 25 15381 1 . LEU 26 26 15381 1 . ASN 27 27 15381 1 . ALA 28 28 15381 1 . PHE 29 29 15381 1 . PRO 30 30 15381 1 . GLY 31 31 15381 1 . CYS 32 32 15381 1 . GLU 33 33 15381 1 . VAL 34 34 15381 1 . ALA 35 35 15381 1 . VAL 36 36 15381 1 . SER 37 37 15381 1 . ASP 38 38 15381 1 . ALA 39 39 15381 1 . PRO 40 40 15381 1 . SER 41 41 15381 1 . GLY 42 42 15381 1 . GLN 43 43 15381 1 . LEU 44 44 15381 1 . ILE 45 45 15381 1 . VAL 46 46 15381 1 . VAL 47 47 15381 1 . VAL 48 48 15381 1 . GLU 49 49 15381 1 . ALA 50 50 15381 1 . GLU 51 51 15381 1 . ASP 52 52 15381 1 . SER 53 53 15381 1 . GLU 54 54 15381 1 . THR 55 55 15381 1 . LEU 56 56 15381 1 . ILE 57 57 15381 1 . GLN 58 58 15381 1 . THR 59 59 15381 1 . ILE 60 60 15381 1 . GLU 61 61 15381 1 . SER 62 62 15381 1 . VAL 63 63 15381 1 . ARG 64 64 15381 1 . ASN 65 65 15381 1 . VAL 66 66 15381 1 . GLU 67 67 15381 1 . GLY 68 68 15381 1 . VAL 69 69 15381 1 . LEU 70 70 15381 1 . ALA 71 71 15381 1 . VAL 72 72 15381 1 . SER 73 73 15381 1 . LEU 74 74 15381 1 . VAL 75 75 15381 1 . TYR 76 76 15381 1 . HIS 77 77 15381 1 . GLN 78 78 15381 1 . GLN 79 79 15381 1 . GLU 80 80 15381 1 . GLU 81 81 15381 1 . GLN 82 82 15381 1 . GLY 83 83 15381 1 . GLU 84 84 15381 1 . GLU 85 85 15381 1 . THR 86 86 15381 1 . PRO 87 87 15381 1 . ARG 88 88 15381 1 . SER 89 89 15381 1 . HIS 90 90 15381 1 . HIS 91 91 15381 1 . HIS 92 92 15381 1 . HIS 93 93 15381 1 . HIS 94 94 15381 1 . HIS 95 95 15381 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 15381 _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 $NapD . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K-12 . . . . . . . . . . . . . . . napD . . . . 15381 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 15381 _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 $NapD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K-12 . . . . . . . . . . . . . . . pQE70 . . . . . . 15381 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NapD_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode NapD_13C_15N _Sample.Entry_ID 15381 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer conditions were: 20 mM deuterated Tris (pH 7.4), 1 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NapD '[U-100% 13C; U-100% 15N]' . . 1 $NapD . . 0.5 . . mM . . . . 15381 1 2 'deuterated Tris' . . . . . . . 20 . . mM . . . . 15381 1 3 DTT . . . . . . . 1 . . mM . . . . 15381 1 stop_ save_ save_NapD_15N _Sample.Sf_category sample _Sample.Sf_framecode NapD_15N _Sample.Entry_ID 15381 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer conditions were: 20 mM deuterated Tris (pH 7.4), 1 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NapD '[U-100% 15N]' . . 1 $NapD . . 0.5 . . mM . . . . 15381 2 2 'deuterated Tris' . . . . . . . 20 . . mM . . . . 15381 2 3 DTT . . . . . . . 1 . . mM . . . . 15381 2 stop_ save_ save_NapD_10%_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode NapD_10%_13C_15N _Sample.Entry_ID 15381 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer conditions were: 20 mM deuterated Tris (pH 7.4), 1 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NapD '[U-10% 13C; U-100% 15N]' . . 1 $NapD . . 0.5 . . mM . . . . 15381 3 2 'deuterated Tris' . . . . . . . 20 . . mM . . . . 15381 3 3 DTT . . . . . . . 1 . . mM . . . . 15381 3 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 15381 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM deuterated Tris (pH 7.4), 1 mM DTT, 95% H2O/5% D2O. No additional salts or stabilizing agents were included.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 15381 1 temperature 298 . K 15381 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15381 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C Bartels et al.' . . 15381 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15381 1 'data analysis' 15381 1 'peak picking' 15381 1 stop_ save_ save_AtnosCandid _Software.Sf_category software _Software.Sf_framecode AtnosCandid _Software.Entry_ID 15381 _Software.ID 2 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, T., G ntert, P. & W thrich, K.' . . 15381 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automated NOE assignment' 15381 2 'data analysis' 15381 2 'peak picking' 15381 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15381 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details 'Structure calculation engine for AtnosCandid run' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P Guntert, C Mumenthaler and K Wuthrich' . . 15381 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation engine' 15381 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15381 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details 'Used for structure calculation and refinement in explicit solvent based on AtnosCandid derived restraints.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CD Schwieters, JJ Kuszewski, N Tjandra and GM Clore' . . 15381 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure refinement' 15381 4 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 15381 _Software.ID 5 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G Vriend' . . 15381 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15381 5 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 15381 _Software.ID 6 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'E. Krieger, Yasara Biosciences' . . 15381 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15381 6 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 15381 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Triple resonance experiments' _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 15381 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'NOESY experiments, using cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15381 _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 V600 Varian INOVA . 600 'Triple resonance experiments' . . 15381 1 2 V800 Varian INOVA . 800 'NOESY experiments, using cryoprobe' . . 15381 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 15381 _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 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 2 '3D HNCACB' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 4 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 5 '3D HN(CA)HA' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 9 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 10 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $NapD_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 1 11 '2D 1H-13C HSQC constant time' no . . . . . . . . . . 3 $NapD_10%_13C_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15381 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 15381 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15381 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15381 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15381 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 15381 _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 0.035 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 ; Estimation based on digital spectral resolution in the 3D-NOESY-HSQC spectra. Initial chemical shifts assignments were based on the double and triple resonance through-bond experiments. Chemical shifts were then carefully mapped on the 800MHz (1H) 3D-NOESY-HSQC experiments, from which appropriate tolerances for automated NOE assignment were estimated. ; _Assigned_chem_shift_list.Details ; Errors listed are the tolerances used in the iterative automated NOE assignment software. Tolerances were based on on spectral resolution of the 3D NOESY spectra. The Aromatic 13C chemical shift tolerances that were used were 0.5 ppm ; _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' 1 $NapD_13C_15N isotropic 15381 1 2 '3D HNCACB' 1 $NapD_13C_15N isotropic 15381 1 3 '3D CBCA(CO)NH' 1 $NapD_13C_15N isotropic 15381 1 4 '3D HBHA(CBCACO)NH' 1 $NapD_13C_15N isotropic 15381 1 5 '3D HN(CA)HA' 1 $NapD_13C_15N isotropic 15381 1 6 '3D 1H-15N NOESY' 1 $NapD_13C_15N isotropic 15381 1 7 '3D 1H-13C NOESY' 1 $NapD_13C_15N isotropic 15381 1 8 '3D 1H-13C NOESY aromatic' 1 $NapD_13C_15N isotropic 15381 1 9 '3D (H)CCH-TOCSY' 1 $NapD_13C_15N isotropic 15381 1 10 '3D H(C)CH-TOCSY' 1 $NapD_13C_15N isotropic 15381 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 $XEASY . . 15381 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 THR HA H 1 4.135 0.035 . 1 . . . . 3 T HA . 15381 1 2 . 1 1 3 3 THR HB H 1 4.027 0.035 . 1 . . . . 3 T HB . 15381 1 3 . 1 1 3 3 THR HG21 H 1 1.062 0.035 . 1 . . . . 3 T QG2 . 15381 1 4 . 1 1 3 3 THR HG22 H 1 1.062 0.035 . 1 . . . . 3 T QG2 . 15381 1 5 . 1 1 3 3 THR HG23 H 1 1.062 0.035 . 1 . . . . 3 T QG2 . 15381 1 6 . 1 1 3 3 THR CA C 13 62.947 0.4 . 1 . . . . 3 T CA . 15381 1 7 . 1 1 3 3 THR CB C 13 69.616 0.4 . 1 . . . . 3 T CB . 15381 1 8 . 1 1 3 3 THR CG2 C 13 21.686 0.4 . 1 . . . . 3 T CG2 . 15381 1 9 . 1 1 4 4 ASN H H 1 8.724 0.035 . 1 . . . . 4 N HN . 15381 1 10 . 1 1 4 4 ASN HA H 1 4.726 0.035 . 1 . . . . 4 N HA . 15381 1 11 . 1 1 4 4 ASN HB2 H 1 2.840 0.035 . 2 . . . . 4 N HB2 . 15381 1 12 . 1 1 4 4 ASN HB3 H 1 2.914 0.035 . 2 . . . . 4 N HB3 . 15381 1 13 . 1 1 4 4 ASN HD21 H 1 6.888 0.035 . 1 . . . . 4 N HD21 . 15381 1 14 . 1 1 4 4 ASN HD22 H 1 7.601 0.035 . 1 . . . . 4 N HD22 . 15381 1 15 . 1 1 4 4 ASN CA C 13 53.638 0.4 . 1 . . . . 4 N CA . 15381 1 16 . 1 1 4 4 ASN CB C 13 38.463 0.4 . 1 . . . . 4 N CB . 15381 1 17 . 1 1 4 4 ASN N N 15 120.135 0.4 . 1 . . . . 4 N N . 15381 1 18 . 1 1 4 4 ASN ND2 N 15 112.831 0.4 . 1 . . . . 4 N ND2 . 15381 1 19 . 1 1 5 5 TRP H H 1 7.885 0.035 . 1 . . . . 5 W HN . 15381 1 20 . 1 1 5 5 TRP HA H 1 4.626 0.035 . 1 . . . . 5 W HA . 15381 1 21 . 1 1 5 5 TRP HB2 H 1 3.038 0.035 . 2 . . . . 5 W HB2 . 15381 1 22 . 1 1 5 5 TRP HB3 H 1 3.149 0.035 . 2 . . . . 5 W HB3 . 15381 1 23 . 1 1 5 5 TRP HD1 H 1 7.070 0.035 . 1 . . . . 5 W HD1 . 15381 1 24 . 1 1 5 5 TRP HE1 H 1 10.060 0.035 . 1 . . . . 5 W HE1 . 15381 1 25 . 1 1 5 5 TRP HE3 H 1 7.151 0.035 . 1 . . . . 5 W HE3 . 15381 1 26 . 1 1 5 5 TRP HH2 H 1 7.005 0.035 . 1 . . . . 5 W HH2 . 15381 1 27 . 1 1 5 5 TRP HZ2 H 1 7.208 0.035 . 1 . . . . 5 W HZ2 . 15381 1 28 . 1 1 5 5 TRP HZ3 H 1 6.873 0.035 . 1 . . . . 5 W HZ3 . 15381 1 29 . 1 1 5 5 TRP CA C 13 57.772 0.4 . 1 . . . . 5 W CA . 15381 1 30 . 1 1 5 5 TRP CB C 13 29.618 0.4 . 1 . . . . 5 W CB . 15381 1 31 . 1 1 5 5 TRP CD1 C 13 125.822 0.4 . 1 . . . . 5 W CD1 . 15381 1 32 . 1 1 5 5 TRP CE3 C 13 120.093 0.4 . 1 . . . . 5 W CE3 . 15381 1 33 . 1 1 5 5 TRP CH2 C 13 124.754 0.4 . 1 . . . . 5 W CH2 . 15381 1 34 . 1 1 5 5 TRP CZ2 C 13 114.364 0.4 . 1 . . . . 5 W CZ2 . 15381 1 35 . 1 1 5 5 TRP CZ3 C 13 121.646 0.4 . 1 . . . . 5 W CZ3 . 15381 1 36 . 1 1 5 5 TRP N N 15 121.516 0.4 . 1 . . . . 5 W N . 15381 1 37 . 1 1 5 5 TRP NE1 N 15 128.970 0.4 . 1 . . . . 5 W NE1 . 15381 1 38 . 1 1 6 6 GLN H H 1 8.523 0.035 . 1 . . . . 6 Q HN . 15381 1 39 . 1 1 6 6 GLN HA H 1 4.450 0.035 . 1 . . . . 6 Q HA . 15381 1 40 . 1 1 6 6 GLN HB2 H 1 1.706 0.035 . 2 . . . . 6 Q HB2 . 15381 1 41 . 1 1 6 6 GLN HB3 H 1 2.007 0.035 . 2 . . . . 6 Q HB3 . 15381 1 42 . 1 1 6 6 GLN HE21 H 1 6.705 0.035 . 1 . . . . 6 Q HE21 . 15381 1 43 . 1 1 6 6 GLN HE22 H 1 7.339 0.035 . 1 . . . . 6 Q HE22 . 15381 1 44 . 1 1 6 6 GLN HG2 H 1 1.998 0.035 . 2 . . . . 6 Q HG2 . 15381 1 45 . 1 1 6 6 GLN HG3 H 1 2.187 0.035 . 2 . . . . 6 Q HG3 . 15381 1 46 . 1 1 6 6 GLN CA C 13 54.990 0.4 . 1 . . . . 6 Q CA . 15381 1 47 . 1 1 6 6 GLN CB C 13 30.924 0.4 . 1 . . . . 6 Q CB . 15381 1 48 . 1 1 6 6 GLN CG C 13 33.431 0.4 . 1 . . . . 6 Q CG . 15381 1 49 . 1 1 6 6 GLN N N 15 120.967 0.4 . 1 . . . . 6 Q N . 15381 1 50 . 1 1 6 6 GLN NE2 N 15 112.253 0.4 . 1 . . . . 6 Q NE2 . 15381 1 51 . 1 1 7 7 VAL H H 1 8.134 0.035 . 1 . . . . 7 V HN . 15381 1 52 . 1 1 7 7 VAL HA H 1 5.168 0.035 . 1 . . . . 7 V HA . 15381 1 53 . 1 1 7 7 VAL HB H 1 1.848 0.035 . 1 . . . . 7 V HB . 15381 1 54 . 1 1 7 7 VAL HG11 H 1 0.860 0.035 . 2 . . . . 7 V QG1 . 15381 1 55 . 1 1 7 7 VAL HG12 H 1 0.860 0.035 . 2 . . . . 7 V QG1 . 15381 1 56 . 1 1 7 7 VAL HG13 H 1 0.860 0.035 . 2 . . . . 7 V QG1 . 15381 1 57 . 1 1 7 7 VAL HG21 H 1 0.770 0.035 . 2 . . . . 7 V QG2 . 15381 1 58 . 1 1 7 7 VAL HG22 H 1 0.770 0.035 . 2 . . . . 7 V QG2 . 15381 1 59 . 1 1 7 7 VAL HG23 H 1 0.770 0.035 . 2 . . . . 7 V QG2 . 15381 1 60 . 1 1 7 7 VAL CA C 13 60.428 0.4 . 1 . . . . 7 V CA . 15381 1 61 . 1 1 7 7 VAL CB C 13 34.812 0.4 . 1 . . . . 7 V CB . 15381 1 62 . 1 1 7 7 VAL CG1 C 13 21.350 0.4 . 2 . . . . 7 V CG1 . 15381 1 63 . 1 1 7 7 VAL CG2 C 13 20.890 0.4 . 2 . . . . 7 V CG2 . 15381 1 64 . 1 1 7 7 VAL N N 15 120.124 0.4 . 1 . . . . 7 V N . 15381 1 65 . 1 1 8 8 CYS H H 1 9.123 0.035 . 1 . . . . 8 C HN . 15381 1 66 . 1 1 8 8 CYS HA H 1 4.818 0.035 . 1 . . . . 8 C HA . 15381 1 67 . 1 1 8 8 CYS HB2 H 1 2.687 0.035 . 2 . . . . 8 C QB . 15381 1 68 . 1 1 8 8 CYS HB3 H 1 2.687 0.035 . 2 . . . . 8 C QB . 15381 1 69 . 1 1 8 8 CYS CA C 13 56.980 0.4 . 1 . . . . 8 C CA . 15381 1 70 . 1 1 8 8 CYS CB C 13 31.096 0.4 . 1 . . . . 8 C CB . 15381 1 71 . 1 1 8 8 CYS N N 15 123.223 0.4 . 1 . . . . 8 C N . 15381 1 72 . 1 1 9 9 SER H H 1 8.570 0.035 . 1 . . . . 9 S HN . 15381 1 73 . 1 1 9 9 SER HA H 1 5.446 0.035 . 1 . . . . 9 S HA . 15381 1 74 . 1 1 9 9 SER HB2 H 1 3.551 0.035 . 2 . . . . 9 S HB2 . 15381 1 75 . 1 1 9 9 SER HB3 H 1 3.639 0.035 . 2 . . . . 9 S HB3 . 15381 1 76 . 1 1 9 9 SER CA C 13 57.716 0.4 . 1 . . . . 9 S CA . 15381 1 77 . 1 1 9 9 SER CB C 13 65.128 0.4 . 1 . . . . 9 S CB . 15381 1 78 . 1 1 9 9 SER N N 15 116.767 0.4 . 1 . . . . 9 S N . 15381 1 79 . 1 1 10 10 LEU H H 1 9.527 0.035 . 1 . . . . 10 L HN . 15381 1 80 . 1 1 10 10 LEU HA H 1 5.196 0.035 . 1 . . . . 10 L HA . 15381 1 81 . 1 1 10 10 LEU HB2 H 1 1.187 0.035 . 2 . . . . 10 L HB2 . 15381 1 82 . 1 1 10 10 LEU HB3 H 1 1.583 0.035 . 2 . . . . 10 L HB3 . 15381 1 83 . 1 1 10 10 LEU HD11 H 1 0.640 0.035 . 1 . . . . 10 L QD1 . 15381 1 84 . 1 1 10 10 LEU HD12 H 1 0.640 0.035 . 1 . . . . 10 L QD1 . 15381 1 85 . 1 1 10 10 LEU HD13 H 1 0.640 0.035 . 1 . . . . 10 L QD1 . 15381 1 86 . 1 1 10 10 LEU HD21 H 1 0.657 0.035 . 1 . . . . 10 L QD2 . 15381 1 87 . 1 1 10 10 LEU HD22 H 1 0.657 0.035 . 1 . . . . 10 L QD2 . 15381 1 88 . 1 1 10 10 LEU HD23 H 1 0.657 0.035 . 1 . . . . 10 L QD2 . 15381 1 89 . 1 1 10 10 LEU HG H 1 1.565 0.035 . 1 . . . . 10 L HG . 15381 1 90 . 1 1 10 10 LEU CA C 13 52.630 0.4 . 1 . . . . 10 L CA . 15381 1 91 . 1 1 10 10 LEU CB C 13 44.464 0.4 . 1 . . . . 10 L CB . 15381 1 92 . 1 1 10 10 LEU CD1 C 13 25.894 0.4 . 1 . . . . 10 L CD1 . 15381 1 93 . 1 1 10 10 LEU CD2 C 13 24.288 0.4 . 1 . . . . 10 L CD2 . 15381 1 94 . 1 1 10 10 LEU CG C 13 26.857 0.4 . 1 . . . . 10 L CG . 15381 1 95 . 1 1 10 10 LEU N N 15 122.417 0.4 . 1 . . . . 10 L N . 15381 1 96 . 1 1 11 11 VAL H H 1 8.965 0.035 . 1 . . . . 11 V HN . 15381 1 97 . 1 1 11 11 VAL HA H 1 4.486 0.035 . 1 . . . . 11 V HA . 15381 1 98 . 1 1 11 11 VAL HB H 1 1.891 0.035 . 1 . . . . 11 V HB . 15381 1 99 . 1 1 11 11 VAL HG11 H 1 0.724 0.035 . 1 . . . . 11 V QG1 . 15381 1 100 . 1 1 11 11 VAL HG12 H 1 0.724 0.035 . 1 . . . . 11 V QG1 . 15381 1 101 . 1 1 11 11 VAL HG13 H 1 0.724 0.035 . 1 . . . . 11 V QG1 . 15381 1 102 . 1 1 11 11 VAL HG21 H 1 0.782 0.035 . 1 . . . . 11 V QG2 . 15381 1 103 . 1 1 11 11 VAL HG22 H 1 0.782 0.035 . 1 . . . . 11 V QG2 . 15381 1 104 . 1 1 11 11 VAL HG23 H 1 0.782 0.035 . 1 . . . . 11 V QG2 . 15381 1 105 . 1 1 11 11 VAL CA C 13 62.109 0.4 . 1 . . . . 11 V CA . 15381 1 106 . 1 1 11 11 VAL CB C 13 32.002 0.4 . 1 . . . . 11 V CB . 15381 1 107 . 1 1 11 11 VAL CG1 C 13 21.080 0.4 . 1 . . . . 11 V CG1 . 15381 1 108 . 1 1 11 11 VAL CG2 C 13 20.634 0.4 . 1 . . . . 11 V CG2 . 15381 1 109 . 1 1 11 11 VAL N N 15 122.861 0.4 . 1 . . . . 11 V N . 15381 1 110 . 1 1 12 12 VAL H H 1 9.318 0.035 . 1 . . . . 12 V HN . 15381 1 111 . 1 1 12 12 VAL HA H 1 4.591 0.035 . 1 . . . . 12 V HA . 15381 1 112 . 1 1 12 12 VAL HB H 1 1.939 0.035 . 1 . . . . 12 V HB . 15381 1 113 . 1 1 12 12 VAL HG11 H 1 0.765 0.035 . 1 . . . . 12 V QG1 . 15381 1 114 . 1 1 12 12 VAL HG12 H 1 0.765 0.035 . 1 . . . . 12 V QG1 . 15381 1 115 . 1 1 12 12 VAL HG13 H 1 0.765 0.035 . 1 . . . . 12 V QG1 . 15381 1 116 . 1 1 12 12 VAL HG21 H 1 0.725 0.035 . 1 . . . . 12 V QG2 . 15381 1 117 . 1 1 12 12 VAL HG22 H 1 0.725 0.035 . 1 . . . . 12 V QG2 . 15381 1 118 . 1 1 12 12 VAL HG23 H 1 0.725 0.035 . 1 . . . . 12 V QG2 . 15381 1 119 . 1 1 12 12 VAL CA C 13 61.155 0.4 . 1 . . . . 12 V CA . 15381 1 120 . 1 1 12 12 VAL CB C 13 33.988 0.4 . 1 . . . . 12 V CB . 15381 1 121 . 1 1 12 12 VAL CG1 C 13 22.058 0.4 . 1 . . . . 12 V CG1 . 15381 1 122 . 1 1 12 12 VAL CG2 C 13 22.058 0.4 . 1 . . . . 12 V CG2 . 15381 1 123 . 1 1 12 12 VAL N N 15 130.942 0.4 . 1 . . . . 12 V N . 15381 1 124 . 1 1 13 13 GLN H H 1 8.692 0.035 . 1 . . . . 13 Q HN . 15381 1 125 . 1 1 13 13 GLN HA H 1 5.060 0.035 . 1 . . . . 13 Q HA . 15381 1 126 . 1 1 13 13 GLN HB2 H 1 1.876 0.035 . 2 . . . . 13 Q HB2 . 15381 1 127 . 1 1 13 13 GLN HB3 H 1 2.076 0.035 . 2 . . . . 13 Q HB3 . 15381 1 128 . 1 1 13 13 GLN HE21 H 1 6.784 0.035 . 1 . . . . 13 Q HE21 . 15381 1 129 . 1 1 13 13 GLN HE22 H 1 7.484 0.035 . 1 . . . . 13 Q HE22 . 15381 1 130 . 1 1 13 13 GLN HG2 H 1 2.290 0.035 . 2 . . . . 13 Q QG . 15381 1 131 . 1 1 13 13 GLN HG3 H 1 2.290 0.035 . 2 . . . . 13 Q QG . 15381 1 132 . 1 1 13 13 GLN CA C 13 54.116 0.4 . 1 . . . . 13 Q CA . 15381 1 133 . 1 1 13 13 GLN CB C 13 30.527 0.4 . 1 . . . . 13 Q CB . 15381 1 134 . 1 1 13 13 GLN CG C 13 33.978 0.4 . 1 . . . . 13 Q CG . 15381 1 135 . 1 1 13 13 GLN N N 15 125.930 0.4 . 1 . . . . 13 Q N . 15381 1 136 . 1 1 13 13 GLN NE2 N 15 112.369 0.4 . 1 . . . . 13 Q NE2 . 15381 1 137 . 1 1 14 14 ALA H H 1 9.088 0.035 . 1 . . . . 14 A HN . 15381 1 138 . 1 1 14 14 ALA HA H 1 4.886 0.035 . 1 . . . . 14 A HA . 15381 1 139 . 1 1 14 14 ALA HB1 H 1 1.048 0.035 . 1 . . . . 14 A QB . 15381 1 140 . 1 1 14 14 ALA HB2 H 1 1.048 0.035 . 1 . . . . 14 A QB . 15381 1 141 . 1 1 14 14 ALA HB3 H 1 1.048 0.035 . 1 . . . . 14 A QB . 15381 1 142 . 1 1 14 14 ALA CA C 13 50.501 0.4 . 1 . . . . 14 A CA . 15381 1 143 . 1 1 14 14 ALA CB C 13 23.616 0.4 . 1 . . . . 14 A CB . 15381 1 144 . 1 1 14 14 ALA N N 15 128.264 0.4 . 1 . . . . 14 A N . 15381 1 145 . 1 1 15 15 LYS H H 1 8.455 0.035 . 1 . . . . 15 K HN . 15381 1 146 . 1 1 15 15 LYS HA H 1 4.205 0.035 . 1 . . . . 15 K HA . 15381 1 147 . 1 1 15 15 LYS HB2 H 1 1.517 0.035 . 2 . . . . 15 K HB2 . 15381 1 148 . 1 1 15 15 LYS HB3 H 1 1.957 0.035 . 2 . . . . 15 K HB3 . 15381 1 149 . 1 1 15 15 LYS HD2 H 1 1.696 0.035 . 2 . . . . 15 K QD . 15381 1 150 . 1 1 15 15 LYS HD3 H 1 1.696 0.035 . 2 . . . . 15 K QD . 15381 1 151 . 1 1 15 15 LYS HE2 H 1 2.973 0.035 . 2 . . . . 15 K QE . 15381 1 152 . 1 1 15 15 LYS HE3 H 1 2.973 0.035 . 2 . . . . 15 K QE . 15381 1 153 . 1 1 15 15 LYS HG2 H 1 1.514 0.035 . 2 . . . . 15 K HG2 . 15381 1 154 . 1 1 15 15 LYS HG3 H 1 1.610 0.035 . 2 . . . . 15 K HG3 . 15381 1 155 . 1 1 15 15 LYS CA C 13 56.768 0.4 . 1 . . . . 15 K CA . 15381 1 156 . 1 1 15 15 LYS CB C 13 32.627 0.4 . 1 . . . . 15 K CB . 15381 1 157 . 1 1 15 15 LYS CD C 13 29.272 0.4 . 1 . . . . 15 K CD . 15381 1 158 . 1 1 15 15 LYS CE C 13 41.969 0.4 . 1 . . . . 15 K CE . 15381 1 159 . 1 1 15 15 LYS CG C 13 25.128 0.4 . 1 . . . . 15 K CG . 15381 1 160 . 1 1 15 15 LYS N N 15 119.579 0.4 . 1 . . . . 15 K N . 15381 1 161 . 1 1 16 16 SER H H 1 8.727 0.035 . 1 . . . . 16 S HN . 15381 1 162 . 1 1 16 16 SER HA H 1 3.959 0.035 . 1 . . . . 16 S HA . 15381 1 163 . 1 1 16 16 SER HB2 H 1 3.831 0.035 . 2 . . . . 16 S QB . 15381 1 164 . 1 1 16 16 SER HB3 H 1 3.831 0.035 . 2 . . . . 16 S QB . 15381 1 165 . 1 1 16 16 SER CA C 13 63.066 0.4 . 1 . . . . 16 S CA . 15381 1 166 . 1 1 16 16 SER CB C 13 63.537 0.4 . 1 . . . . 16 S CB . 15381 1 167 . 1 1 16 16 SER N N 15 121.214 0.4 . 1 . . . . 16 S N . 15381 1 168 . 1 1 17 17 GLU H H 1 9.708 0.035 . 1 . . . . 17 E HN . 15381 1 169 . 1 1 17 17 GLU HA H 1 4.202 0.035 . 1 . . . . 17 E HA . 15381 1 170 . 1 1 17 17 GLU HB2 H 1 2.039 0.035 . 2 . . . . 17 E QB . 15381 1 171 . 1 1 17 17 GLU HB3 H 1 2.039 0.035 . 2 . . . . 17 E QB . 15381 1 172 . 1 1 17 17 GLU HG2 H 1 2.324 0.035 . 2 . . . . 17 E QG . 15381 1 173 . 1 1 17 17 GLU HG3 H 1 2.324 0.035 . 2 . . . . 17 E QG . 15381 1 174 . 1 1 17 17 GLU CA C 13 58.615 0.4 . 1 . . . . 17 E CA . 15381 1 175 . 1 1 17 17 GLU CB C 13 28.442 0.4 . 1 . . . . 17 E CB . 15381 1 176 . 1 1 17 17 GLU CG C 13 36.165 0.4 . 1 . . . . 17 E CG . 15381 1 177 . 1 1 17 17 GLU N N 15 118.853 0.4 . 1 . . . . 17 E N . 15381 1 178 . 1 1 18 18 ARG H H 1 7.827 0.035 . 1 . . . . 18 R HN . 15381 1 179 . 1 1 18 18 ARG HA H 1 4.703 0.035 . 1 . . . . 18 R HA . 15381 1 180 . 1 1 18 18 ARG HB2 H 1 1.696 0.035 . 2 . . . . 18 R HB2 . 15381 1 181 . 1 1 18 18 ARG HB3 H 1 2.201 0.035 . 2 . . . . 18 R HB3 . 15381 1 182 . 1 1 18 18 ARG HD2 H 1 3.201 0.035 . 2 . . . . 18 R QD . 15381 1 183 . 1 1 18 18 ARG HD3 H 1 3.201 0.035 . 2 . . . . 18 R QD . 15381 1 184 . 1 1 18 18 ARG HG2 H 1 1.516 0.035 . 2 . . . . 18 R HG2 . 15381 1 185 . 1 1 18 18 ARG HG3 H 1 1.710 0.035 . 2 . . . . 18 R HG3 . 15381 1 186 . 1 1 18 18 ARG CA C 13 54.249 0.4 . 1 . . . . 18 R CA . 15381 1 187 . 1 1 18 18 ARG CB C 13 30.736 0.4 . 1 . . . . 18 R CB . 15381 1 188 . 1 1 18 18 ARG CD C 13 42.245 0.4 . 1 . . . . 18 R CD . 15381 1 189 . 1 1 18 18 ARG CG C 13 27.009 0.4 . 1 . . . . 18 R CG . 15381 1 190 . 1 1 18 18 ARG N N 15 117.124 0.4 . 1 . . . . 18 R N . 15381 1 191 . 1 1 19 19 ILE H H 1 7.259 0.035 . 1 . . . . 19 I HN . 15381 1 192 . 1 1 19 19 ILE HA H 1 3.501 0.035 . 1 . . . . 19 I HA . 15381 1 193 . 1 1 19 19 ILE HB H 1 1.978 0.035 . 1 . . . . 19 I HB . 15381 1 194 . 1 1 19 19 ILE HD11 H 1 0.562 0.035 . 1 . . . . 19 I QD1 . 15381 1 195 . 1 1 19 19 ILE HD12 H 1 0.562 0.035 . 1 . . . . 19 I QD1 . 15381 1 196 . 1 1 19 19 ILE HD13 H 1 0.562 0.035 . 1 . . . . 19 I QD1 . 15381 1 197 . 1 1 19 19 ILE HG12 H 1 1.383 0.035 . 2 . . . . 19 I HG12 . 15381 1 198 . 1 1 19 19 ILE HG13 H 1 1.446 0.035 . 2 . . . . 19 I HG13 . 15381 1 199 . 1 1 19 19 ILE HG21 H 1 0.786 0.035 . 1 . . . . 19 I QG2 . 15381 1 200 . 1 1 19 19 ILE HG22 H 1 0.786 0.035 . 1 . . . . 19 I QG2 . 15381 1 201 . 1 1 19 19 ILE HG23 H 1 0.786 0.035 . 1 . . . . 19 I QG2 . 15381 1 202 . 1 1 19 19 ILE CA C 13 64.808 0.4 . 1 . . . . 19 I CA . 15381 1 203 . 1 1 19 19 ILE CB C 13 36.814 0.4 . 1 . . . . 19 I CB . 15381 1 204 . 1 1 19 19 ILE CD1 C 13 12.233 0.4 . 1 . . . . 19 I CD1 . 15381 1 205 . 1 1 19 19 ILE CG1 C 13 29.672 0.4 . 1 . . . . 19 I CG1 . 15381 1 206 . 1 1 19 19 ILE CG2 C 13 16.740 0.4 . 1 . . . . 19 I CG2 . 15381 1 207 . 1 1 19 19 ILE N N 15 120.663 0.4 . 1 . . . . 19 I N . 15381 1 208 . 1 1 20 20 SER HA H 1 4.135 0.035 . 1 . . . . 20 S HA . 15381 1 209 . 1 1 20 20 SER HB2 H 1 3.865 0.035 . 2 . . . . 20 S QB . 15381 1 210 . 1 1 20 20 SER HB3 H 1 3.865 0.035 . 2 . . . . 20 S QB . 15381 1 211 . 1 1 20 20 SER CA C 13 62.175 0.4 . 1 . . . . 20 S CA . 15381 1 212 . 1 1 20 20 SER CB C 13 64.000 0.4 . 1 . . . . 20 S CB . 15381 1 213 . 1 1 21 21 ASP H H 1 7.939 0.035 . 1 . . . . 21 D HN . 15381 1 214 . 1 1 21 21 ASP HA H 1 4.390 0.035 . 1 . . . . 21 D HA . 15381 1 215 . 1 1 21 21 ASP HB2 H 1 2.651 0.035 . 2 . . . . 21 D QB . 15381 1 216 . 1 1 21 21 ASP HB3 H 1 2.651 0.035 . 2 . . . . 21 D QB . 15381 1 217 . 1 1 21 21 ASP CA C 13 57.264 0.4 . 1 . . . . 21 D CA . 15381 1 218 . 1 1 21 21 ASP CB C 13 40.997 0.4 . 1 . . . . 21 D CB . 15381 1 219 . 1 1 21 21 ASP N N 15 122.543 0.4 . 1 . . . . 21 D N . 15381 1 220 . 1 1 22 22 ILE H H 1 8.481 0.035 . 1 . . . . 22 I HN . 15381 1 221 . 1 1 22 22 ILE HA H 1 3.497 0.035 . 1 . . . . 22 I HA . 15381 1 222 . 1 1 22 22 ILE HB H 1 1.543 0.035 . 1 . . . . 22 I HB . 15381 1 223 . 1 1 22 22 ILE HD11 H 1 0.585 0.035 . 1 . . . . 22 I QD1 . 15381 1 224 . 1 1 22 22 ILE HD12 H 1 0.585 0.035 . 1 . . . . 22 I QD1 . 15381 1 225 . 1 1 22 22 ILE HD13 H 1 0.585 0.035 . 1 . . . . 22 I QD1 . 15381 1 226 . 1 1 22 22 ILE HG12 H 1 0.916 0.035 . 2 . . . . 22 I HG12 . 15381 1 227 . 1 1 22 22 ILE HG13 H 1 1.760 0.035 . 2 . . . . 22 I HG13 . 15381 1 228 . 1 1 22 22 ILE HG21 H 1 0.568 0.035 . 1 . . . . 22 I QG2 . 15381 1 229 . 1 1 22 22 ILE HG22 H 1 0.568 0.035 . 1 . . . . 22 I QG2 . 15381 1 230 . 1 1 22 22 ILE HG23 H 1 0.568 0.035 . 1 . . . . 22 I QG2 . 15381 1 231 . 1 1 22 22 ILE CA C 13 65.574 0.4 . 1 . . . . 22 I CA . 15381 1 232 . 1 1 22 22 ILE CB C 13 38.420 0.4 . 1 . . . . 22 I CB . 15381 1 233 . 1 1 22 22 ILE CD1 C 13 15.458 0.4 . 1 . . . . 22 I CD1 . 15381 1 234 . 1 1 22 22 ILE CG1 C 13 29.266 0.4 . 1 . . . . 22 I CG1 . 15381 1 235 . 1 1 22 22 ILE CG2 C 13 17.531 0.4 . 1 . . . . 22 I CG2 . 15381 1 236 . 1 1 22 22 ILE N N 15 121.035 0.4 . 1 . . . . 22 I N . 15381 1 237 . 1 1 23 23 SER H H 1 8.477 0.035 . 1 . . . . 23 S HN . 15381 1 238 . 1 1 23 23 SER HA H 1 3.808 0.035 . 1 . . . . 23 S HA . 15381 1 239 . 1 1 23 23 SER HB2 H 1 3.891 0.035 . 2 . . . . 23 S HB2 . 15381 1 240 . 1 1 23 23 SER HB3 H 1 3.948 0.035 . 2 . . . . 23 S HB3 . 15381 1 241 . 1 1 23 23 SER CA C 13 62.709 0.4 . 1 . . . . 23 S CA . 15381 1 242 . 1 1 23 23 SER CB C 13 62.877 0.4 . 1 . . . . 23 S CB . 15381 1 243 . 1 1 23 23 SER N N 15 115.223 0.4 . 1 . . . . 23 S N . 15381 1 244 . 1 1 24 24 THR H H 1 7.584 0.035 . 1 . . . . 24 T HN . 15381 1 245 . 1 1 24 24 THR HA H 1 3.869 0.035 . 1 . . . . 24 T HA . 15381 1 246 . 1 1 24 24 THR HB H 1 4.235 0.035 . 1 . . . . 24 T HB . 15381 1 247 . 1 1 24 24 THR HG21 H 1 1.198 0.035 . 1 . . . . 24 T QG2 . 15381 1 248 . 1 1 24 24 THR HG22 H 1 1.198 0.035 . 1 . . . . 24 T QG2 . 15381 1 249 . 1 1 24 24 THR HG23 H 1 1.198 0.035 . 1 . . . . 24 T QG2 . 15381 1 250 . 1 1 24 24 THR CA C 13 66.352 0.4 . 1 . . . . 24 T CA . 15381 1 251 . 1 1 24 24 THR CB C 13 68.805 0.4 . 1 . . . . 24 T CB . 15381 1 252 . 1 1 24 24 THR CG2 C 13 21.868 0.4 . 1 . . . . 24 T CG2 . 15381 1 253 . 1 1 24 24 THR N N 15 116.123 0.4 . 1 . . . . 24 T N . 15381 1 254 . 1 1 25 25 GLN H H 1 7.620 0.035 . 1 . . . . 25 Q HN . 15381 1 255 . 1 1 25 25 GLN HA H 1 3.923 0.035 . 1 . . . . 25 Q HA . 15381 1 256 . 1 1 25 25 GLN HB2 H 1 1.941 0.035 . 2 . . . . 25 Q HB2 . 15381 1 257 . 1 1 25 25 GLN HB3 H 1 2.035 0.035 . 2 . . . . 25 Q HB3 . 15381 1 258 . 1 1 25 25 GLN HE21 H 1 6.946 0.035 . 1 . . . . 25 Q HE21 . 15381 1 259 . 1 1 25 25 GLN HE22 H 1 7.141 0.035 . 1 . . . . 25 Q HE22 . 15381 1 260 . 1 1 25 25 GLN HG2 H 1 2.187 0.035 . 2 . . . . 25 Q HG2 . 15381 1 261 . 1 1 25 25 GLN HG3 H 1 2.387 0.035 . 2 . . . . 25 Q HG3 . 15381 1 262 . 1 1 25 25 GLN CA C 13 59.131 0.4 . 1 . . . . 25 Q CA . 15381 1 263 . 1 1 25 25 GLN CB C 13 29.129 0.4 . 1 . . . . 25 Q CB . 15381 1 264 . 1 1 25 25 GLN CG C 13 34.581 0.4 . 1 . . . . 25 Q CG . 15381 1 265 . 1 1 25 25 GLN N N 15 120.689 0.4 . 1 . . . . 25 Q N . 15381 1 266 . 1 1 25 25 GLN NE2 N 15 111.443 0.4 . 1 . . . . 25 Q NE2 . 15381 1 267 . 1 1 26 26 LEU H H 1 8.423 0.035 . 1 . . . . 26 L HN . 15381 1 268 . 1 1 26 26 LEU HA H 1 3.467 0.035 . 1 . . . . 26 L HA . 15381 1 269 . 1 1 26 26 LEU HB2 H 1 0.949 0.035 . 2 . . . . 26 L HB2 . 15381 1 270 . 1 1 26 26 LEU HB3 H 1 1.570 0.035 . 2 . . . . 26 L HB3 . 15381 1 271 . 1 1 26 26 LEU HD11 H 1 0.584 0.035 . 1 . . . . 26 L QD1 . 15381 1 272 . 1 1 26 26 LEU HD12 H 1 0.584 0.035 . 1 . . . . 26 L QD1 . 15381 1 273 . 1 1 26 26 LEU HD13 H 1 0.584 0.035 . 1 . . . . 26 L QD1 . 15381 1 274 . 1 1 26 26 LEU HD21 H 1 0.505 0.035 . 1 . . . . 26 L QD2 . 15381 1 275 . 1 1 26 26 LEU HD22 H 1 0.505 0.035 . 1 . . . . 26 L QD2 . 15381 1 276 . 1 1 26 26 LEU HD23 H 1 0.505 0.035 . 1 . . . . 26 L QD2 . 15381 1 277 . 1 1 26 26 LEU HG H 1 1.775 0.035 . 1 . . . . 26 L HG . 15381 1 278 . 1 1 26 26 LEU CA C 13 57.355 0.4 . 1 . . . . 26 L CA . 15381 1 279 . 1 1 26 26 LEU CB C 13 41.098 0.4 . 1 . . . . 26 L CB . 15381 1 280 . 1 1 26 26 LEU CD1 C 13 26.865 0.4 . 1 . . . . 26 L CD1 . 15381 1 281 . 1 1 26 26 LEU CD2 C 13 24.434 0.4 . 1 . . . . 26 L CD2 . 15381 1 282 . 1 1 26 26 LEU CG C 13 26.713 0.4 . 1 . . . . 26 L CG . 15381 1 283 . 1 1 26 26 LEU N N 15 117.907 0.4 . 1 . . . . 26 L N . 15381 1 284 . 1 1 27 27 ASN H H 1 7.608 0.035 . 1 . . . . 27 N HN . 15381 1 285 . 1 1 27 27 ASN HA H 1 4.586 0.035 . 1 . . . . 27 N HA . 15381 1 286 . 1 1 27 27 ASN HB2 H 1 2.770 0.035 . 2 . . . . 27 N QB . 15381 1 287 . 1 1 27 27 ASN HB3 H 1 2.770 0.035 . 2 . . . . 27 N QB . 15381 1 288 . 1 1 27 27 ASN HD21 H 1 6.990 0.035 . 1 . . . . 27 N HD21 . 15381 1 289 . 1 1 27 27 ASN HD22 H 1 7.176 0.035 . 1 . . . . 27 N HD22 . 15381 1 290 . 1 1 27 27 ASN CA C 13 54.236 0.4 . 1 . . . . 27 N CA . 15381 1 291 . 1 1 27 27 ASN CB C 13 38.857 0.4 . 1 . . . . 27 N CB . 15381 1 292 . 1 1 27 27 ASN N N 15 113.646 0.4 . 1 . . . . 27 N N . 15381 1 293 . 1 1 27 27 ASN ND2 N 15 111.154 0.4 . 1 . . . . 27 N ND2 . 15381 1 294 . 1 1 28 28 ALA H H 1 7.182 0.035 . 1 . . . . 28 A HN . 15381 1 295 . 1 1 28 28 ALA HA H 1 4.476 0.035 . 1 . . . . 28 A HA . 15381 1 296 . 1 1 28 28 ALA HB1 H 1 1.417 0.035 . 1 . . . . 28 A QB . 15381 1 297 . 1 1 28 28 ALA HB2 H 1 1.417 0.035 . 1 . . . . 28 A QB . 15381 1 298 . 1 1 28 28 ALA HB3 H 1 1.417 0.035 . 1 . . . . 28 A QB . 15381 1 299 . 1 1 28 28 ALA CA C 13 51.664 0.4 . 1 . . . . 28 A CA . 15381 1 300 . 1 1 28 28 ALA CB C 13 19.156 0.4 . 1 . . . . 28 A CB . 15381 1 301 . 1 1 28 28 ALA N N 15 119.326 0.4 . 1 . . . . 28 A N . 15381 1 302 . 1 1 29 29 PHE H H 1 7.709 0.035 . 1 . . . . 29 F HN . 15381 1 303 . 1 1 29 29 PHE HA H 1 4.954 0.035 . 1 . . . . 29 F HA . 15381 1 304 . 1 1 29 29 PHE HB2 H 1 3.066 0.035 . 2 . . . . 29 F HB2 . 15381 1 305 . 1 1 29 29 PHE HB3 H 1 3.578 0.035 . 2 . . . . 29 F HB3 . 15381 1 306 . 1 1 29 29 PHE HD1 H 1 7.238 0.035 . 3 . . . . 29 F QD . 15381 1 307 . 1 1 29 29 PHE HD2 H 1 7.238 0.035 . 3 . . . . 29 F QD . 15381 1 308 . 1 1 29 29 PHE HE1 H 1 7.069 0.035 . 3 . . . . 29 F QE . 15381 1 309 . 1 1 29 29 PHE HE2 H 1 7.069 0.035 . 3 . . . . 29 F QE . 15381 1 310 . 1 1 29 29 PHE HZ H 1 6.995 0.035 . 1 . . . . 29 F HZ . 15381 1 311 . 1 1 29 29 PHE CA C 13 54.220 0.4 . 1 . . . . 29 F CA . 15381 1 312 . 1 1 29 29 PHE CB C 13 37.590 0.4 . 1 . . . . 29 F CB . 15381 1 313 . 1 1 29 29 PHE CD1 C 13 130.386 0.4 . 3 . . . . 29 F CD1 . 15381 1 314 . 1 1 29 29 PHE CD2 C 13 130.386 0.4 . 3 . . . . 29 F CD2 . 15381 1 315 . 1 1 29 29 PHE CE1 C 13 131.066 0.4 . 3 . . . . 29 F CE1 . 15381 1 316 . 1 1 29 29 PHE CE2 C 13 131.066 0.4 . 3 . . . . 29 F CE2 . 15381 1 317 . 1 1 29 29 PHE CZ C 13 129.027 0.4 . 1 . . . . 29 F CZ . 15381 1 318 . 1 1 29 29 PHE N N 15 123.584 0.4 . 1 . . . . 29 F N . 15381 1 319 . 1 1 30 30 PRO HA H 1 4.342 0.035 . 1 . . . . 30 P HA . 15381 1 320 . 1 1 30 30 PRO HB2 H 1 1.940 0.035 . 2 . . . . 30 P HB2 . 15381 1 321 . 1 1 30 30 PRO HB3 H 1 2.290 0.035 . 2 . . . . 30 P HB3 . 15381 1 322 . 1 1 30 30 PRO HD2 H 1 3.575 0.035 . 2 . . . . 30 P HD2 . 15381 1 323 . 1 1 30 30 PRO HD3 H 1 4.004 0.035 . 2 . . . . 30 P HD3 . 15381 1 324 . 1 1 30 30 PRO HG2 H 1 2.004 0.035 . 2 . . . . 30 P HG2 . 15381 1 325 . 1 1 30 30 PRO HG3 H 1 2.128 0.035 . 2 . . . . 30 P HG3 . 15381 1 326 . 1 1 30 30 PRO CA C 13 63.878 0.4 . 1 . . . . 30 P CA . 15381 1 327 . 1 1 30 30 PRO CB C 13 31.738 0.4 . 1 . . . . 30 P CB . 15381 1 328 . 1 1 30 30 PRO CD C 13 50.635 0.4 . 1 . . . . 30 P CD . 15381 1 329 . 1 1 30 30 PRO CG C 13 27.931 0.4 . 1 . . . . 30 P CG . 15381 1 330 . 1 1 31 31 GLY H H 1 8.832 0.035 . 1 . . . . 31 G HN . 15381 1 331 . 1 1 31 31 GLY HA2 H 1 3.960 0.035 . 2 . . . . 31 G HA1 . 15381 1 332 . 1 1 31 31 GLY HA3 H 1 4.410 0.035 . 2 . . . . 31 G HA2 . 15381 1 333 . 1 1 31 31 GLY CA C 13 46.087 0.4 . 1 . . . . 31 G CA . 15381 1 334 . 1 1 31 31 GLY N N 15 112.277 0.4 . 1 . . . . 31 G N . 15381 1 335 . 1 1 32 32 CYS H H 1 7.454 0.035 . 1 . . . . 32 C HN . 15381 1 336 . 1 1 32 32 CYS HA H 1 5.418 0.035 . 1 . . . . 32 C HA . 15381 1 337 . 1 1 32 32 CYS HB2 H 1 2.264 0.035 . 2 . . . . 32 C HB2 . 15381 1 338 . 1 1 32 32 CYS HB3 H 1 3.230 0.035 . 2 . . . . 32 C HB3 . 15381 1 339 . 1 1 32 32 CYS CA C 13 58.931 0.4 . 1 . . . . 32 C CA . 15381 1 340 . 1 1 32 32 CYS CB C 13 31.119 0.4 . 1 . . . . 32 C CB . 15381 1 341 . 1 1 32 32 CYS N N 15 116.177 0.4 . 1 . . . . 32 C N . 15381 1 342 . 1 1 33 33 GLU H H 1 8.538 0.035 . 1 . . . . 33 E HN . 15381 1 343 . 1 1 33 33 GLU HA H 1 4.646 0.035 . 1 . . . . 33 E HA . 15381 1 344 . 1 1 33 33 GLU HB2 H 1 1.876 0.035 . 2 . . . . 33 E QB . 15381 1 345 . 1 1 33 33 GLU HB3 H 1 1.876 0.035 . 2 . . . . 33 E QB . 15381 1 346 . 1 1 33 33 GLU HG2 H 1 1.973 0.035 . 2 . . . . 33 E HG2 . 15381 1 347 . 1 1 33 33 GLU HG3 H 1 2.166 0.035 . 2 . . . . 33 E HG3 . 15381 1 348 . 1 1 33 33 GLU CA C 13 55.543 0.4 . 1 . . . . 33 E CA . 15381 1 349 . 1 1 33 33 GLU CB C 13 33.373 0.4 . 1 . . . . 33 E CB . 15381 1 350 . 1 1 33 33 GLU CG C 13 36.175 0.4 . 1 . . . . 33 E CG . 15381 1 351 . 1 1 33 33 GLU N N 15 121.088 0.4 . 1 . . . . 33 E N . 15381 1 352 . 1 1 34 34 VAL H H 1 9.150 0.035 . 1 . . . . 34 V HN . 15381 1 353 . 1 1 34 34 VAL HA H 1 4.070 0.035 . 1 . . . . 34 V HA . 15381 1 354 . 1 1 34 34 VAL HB H 1 2.030 0.035 . 1 . . . . 34 V HB . 15381 1 355 . 1 1 34 34 VAL HG11 H 1 0.788 0.035 . 1 . . . . 34 V QG1 . 15381 1 356 . 1 1 34 34 VAL HG12 H 1 0.788 0.035 . 1 . . . . 34 V QG1 . 15381 1 357 . 1 1 34 34 VAL HG13 H 1 0.788 0.035 . 1 . . . . 34 V QG1 . 15381 1 358 . 1 1 34 34 VAL HG21 H 1 0.892 0.035 . 1 . . . . 34 V QG2 . 15381 1 359 . 1 1 34 34 VAL HG22 H 1 0.892 0.035 . 1 . . . . 34 V QG2 . 15381 1 360 . 1 1 34 34 VAL HG23 H 1 0.892 0.035 . 1 . . . . 34 V QG2 . 15381 1 361 . 1 1 34 34 VAL CA C 13 63.644 0.4 . 1 . . . . 34 V CA . 15381 1 362 . 1 1 34 34 VAL CB C 13 31.479 0.4 . 1 . . . . 34 V CB . 15381 1 363 . 1 1 34 34 VAL CG1 C 13 22.176 0.4 . 1 . . . . 34 V CG1 . 15381 1 364 . 1 1 34 34 VAL CG2 C 13 22.517 0.4 . 1 . . . . 34 V CG2 . 15381 1 365 . 1 1 34 34 VAL N N 15 127.412 0.4 . 1 . . . . 34 V N . 15381 1 366 . 1 1 35 35 ALA H H 1 8.974 0.035 . 1 . . . . 35 A HN . 15381 1 367 . 1 1 35 35 ALA HA H 1 4.395 0.035 . 1 . . . . 35 A HA . 15381 1 368 . 1 1 35 35 ALA HB1 H 1 1.309 0.035 . 1 . . . . 35 A QB . 15381 1 369 . 1 1 35 35 ALA HB2 H 1 1.309 0.035 . 1 . . . . 35 A QB . 15381 1 370 . 1 1 35 35 ALA HB3 H 1 1.309 0.035 . 1 . . . . 35 A QB . 15381 1 371 . 1 1 35 35 ALA CA C 13 53.299 0.4 . 1 . . . . 35 A CA . 15381 1 372 . 1 1 35 35 ALA CB C 13 20.519 0.4 . 1 . . . . 35 A CB . 15381 1 373 . 1 1 35 35 ALA N N 15 133.872 0.4 . 1 . . . . 35 A N . 15381 1 374 . 1 1 36 36 VAL H H 1 7.707 0.035 . 1 . . . . 36 V HN . 15381 1 375 . 1 1 36 36 VAL HA H 1 4.188 0.035 . 1 . . . . 36 V HA . 15381 1 376 . 1 1 36 36 VAL HB H 1 1.849 0.035 . 1 . . . . 36 V HB . 15381 1 377 . 1 1 36 36 VAL HG11 H 1 0.849 0.035 . 2 . . . . 36 V QG1 . 15381 1 378 . 1 1 36 36 VAL HG12 H 1 0.849 0.035 . 2 . . . . 36 V QG1 . 15381 1 379 . 1 1 36 36 VAL HG13 H 1 0.849 0.035 . 2 . . . . 36 V QG1 . 15381 1 380 . 1 1 36 36 VAL HG21 H 1 0.844 0.035 . 2 . . . . 36 V QG2 . 15381 1 381 . 1 1 36 36 VAL HG22 H 1 0.844 0.035 . 2 . . . . 36 V QG2 . 15381 1 382 . 1 1 36 36 VAL HG23 H 1 0.844 0.035 . 2 . . . . 36 V QG2 . 15381 1 383 . 1 1 36 36 VAL CA C 13 61.553 0.4 . 1 . . . . 36 V CA . 15381 1 384 . 1 1 36 36 VAL CB C 13 35.380 0.4 . 1 . . . . 36 V CB . 15381 1 385 . 1 1 36 36 VAL CG1 C 13 21.244 0.4 . 2 . . . . 36 V CG1 . 15381 1 386 . 1 1 36 36 VAL CG2 C 13 20.923 0.4 . 2 . . . . 36 V CG2 . 15381 1 387 . 1 1 36 36 VAL N N 15 116.561 0.4 . 1 . . . . 36 V N . 15381 1 388 . 1 1 37 37 SER H H 1 8.525 0.035 . 1 . . . . 37 S HN . 15381 1 389 . 1 1 37 37 SER HA H 1 4.661 0.035 . 1 . . . . 37 S HA . 15381 1 390 . 1 1 37 37 SER HB2 H 1 3.526 0.035 . 2 . . . . 37 S HB2 . 15381 1 391 . 1 1 37 37 SER HB3 H 1 3.612 0.035 . 2 . . . . 37 S HB3 . 15381 1 392 . 1 1 37 37 SER CA C 13 57.132 0.4 . 1 . . . . 37 S CA . 15381 1 393 . 1 1 37 37 SER CB C 13 64.497 0.4 . 1 . . . . 37 S CB . 15381 1 394 . 1 1 37 37 SER N N 15 120.474 0.4 . 1 . . . . 37 S N . 15381 1 395 . 1 1 38 38 ASP H H 1 8.570 0.035 . 1 . . . . 38 D HN . 15381 1 396 . 1 1 38 38 ASP HA H 1 4.890 0.035 . 1 . . . . 38 D HA . 15381 1 397 . 1 1 38 38 ASP HB2 H 1 2.340 0.035 . 2 . . . . 38 D HB2 . 15381 1 398 . 1 1 38 38 ASP HB3 H 1 2.768 0.035 . 2 . . . . 38 D HB3 . 15381 1 399 . 1 1 38 38 ASP CA C 13 53.027 0.4 . 1 . . . . 38 D CA . 15381 1 400 . 1 1 38 38 ASP CB C 13 42.007 0.4 . 1 . . . . 38 D CB . 15381 1 401 . 1 1 38 38 ASP N N 15 125.327 0.4 . 1 . . . . 38 D N . 15381 1 402 . 1 1 39 39 ALA H H 1 8.950 0.035 . 1 . . . . 39 A HN . 15381 1 403 . 1 1 39 39 ALA HA H 1 4.214 0.035 . 1 . . . . 39 A HA . 15381 1 404 . 1 1 39 39 ALA HB1 H 1 1.445 0.035 . 1 . . . . 39 A QB . 15381 1 405 . 1 1 39 39 ALA HB2 H 1 1.445 0.035 . 1 . . . . 39 A QB . 15381 1 406 . 1 1 39 39 ALA HB3 H 1 1.445 0.035 . 1 . . . . 39 A QB . 15381 1 407 . 1 1 39 39 ALA CA C 13 56.282 0.4 . 1 . . . . 39 A CA . 15381 1 408 . 1 1 39 39 ALA CB C 13 15.911 0.4 . 1 . . . . 39 A CB . 15381 1 409 . 1 1 39 39 ALA N N 15 127.215 0.4 . 1 . . . . 39 A N . 15381 1 410 . 1 1 40 40 PRO HA H 1 4.256 0.035 . 1 . . . . 40 P HA . 15381 1 411 . 1 1 40 40 PRO HB2 H 1 1.848 0.035 . 2 . . . . 40 P HB2 . 15381 1 412 . 1 1 40 40 PRO HB3 H 1 2.299 0.035 . 2 . . . . 40 P HB3 . 15381 1 413 . 1 1 40 40 PRO HD2 H 1 3.714 0.035 . 2 . . . . 40 P HD2 . 15381 1 414 . 1 1 40 40 PRO HD3 H 1 3.853 0.035 . 2 . . . . 40 P HD3 . 15381 1 415 . 1 1 40 40 PRO HG2 H 1 1.896 0.035 . 2 . . . . 40 P HG2 . 15381 1 416 . 1 1 40 40 PRO HG3 H 1 2.116 0.035 . 2 . . . . 40 P HG3 . 15381 1 417 . 1 1 40 40 PRO CA C 13 66.180 0.4 . 1 . . . . 40 P CA . 15381 1 418 . 1 1 40 40 PRO CB C 13 31.211 0.4 . 1 . . . . 40 P CB . 15381 1 419 . 1 1 40 40 PRO CD C 13 50.478 0.4 . 1 . . . . 40 P CD . 15381 1 420 . 1 1 40 40 PRO CG C 13 28.291 0.4 . 1 . . . . 40 P CG . 15381 1 421 . 1 1 41 41 SER H H 1 7.393 0.035 . 1 . . . . 41 S HN . 15381 1 422 . 1 1 41 41 SER HA H 1 4.462 0.035 . 1 . . . . 41 S HA . 15381 1 423 . 1 1 41 41 SER HB2 H 1 3.803 0.035 . 2 . . . . 41 S QB . 15381 1 424 . 1 1 41 41 SER HB3 H 1 3.803 0.035 . 2 . . . . 41 S QB . 15381 1 425 . 1 1 41 41 SER CA C 13 58.442 0.4 . 1 . . . . 41 S CA . 15381 1 426 . 1 1 41 41 SER CB C 13 63.784 0.4 . 1 . . . . 41 S CB . 15381 1 427 . 1 1 41 41 SER N N 15 109.128 0.4 . 1 . . . . 41 S N . 15381 1 428 . 1 1 42 42 GLY H H 1 8.255 0.035 . 1 . . . . 42 G HN . 15381 1 429 . 1 1 42 42 GLY HA2 H 1 3.508 0.035 . 2 . . . . 42 G HA1 . 15381 1 430 . 1 1 42 42 GLY HA3 H 1 4.173 0.035 . 2 . . . . 42 G HA2 . 15381 1 431 . 1 1 42 42 GLY CA C 13 46.542 0.4 . 1 . . . . 42 G CA . 15381 1 432 . 1 1 42 42 GLY N N 15 112.601 0.4 . 1 . . . . 42 G N . 15381 1 433 . 1 1 43 43 GLN H H 1 7.647 0.035 . 1 . . . . 43 Q HN . 15381 1 434 . 1 1 43 43 GLN HA H 1 5.374 0.035 . 1 . . . . 43 Q HA . 15381 1 435 . 1 1 43 43 GLN HB2 H 1 1.735 0.035 . 2 . . . . 43 Q HB2 . 15381 1 436 . 1 1 43 43 GLN HB3 H 1 1.821 0.035 . 2 . . . . 43 Q HB3 . 15381 1 437 . 1 1 43 43 GLN HE21 H 1 6.621 0.035 . 1 . . . . 43 Q HE21 . 15381 1 438 . 1 1 43 43 GLN HE22 H 1 7.334 0.035 . 1 . . . . 43 Q HE22 . 15381 1 439 . 1 1 43 43 GLN HG2 H 1 1.953 0.035 . 2 . . . . 43 Q HG2 . 15381 1 440 . 1 1 43 43 GLN HG3 H 1 2.160 0.035 . 2 . . . . 43 Q HG3 . 15381 1 441 . 1 1 43 43 GLN CA C 13 54.752 0.4 . 1 . . . . 43 Q CA . 15381 1 442 . 1 1 43 43 GLN CB C 13 33.228 0.4 . 1 . . . . 43 Q CB . 15381 1 443 . 1 1 43 43 GLN CG C 13 34.756 0.4 . 1 . . . . 43 Q CG . 15381 1 444 . 1 1 43 43 GLN N N 15 116.613 0.4 . 1 . . . . 43 Q N . 15381 1 445 . 1 1 43 43 GLN NE2 N 15 110.113 0.4 . 1 . . . . 43 Q NE2 . 15381 1 446 . 1 1 44 44 LEU H H 1 8.943 0.035 . 1 . . . . 44 L HN . 15381 1 447 . 1 1 44 44 LEU HA H 1 4.935 0.035 . 1 . . . . 44 L HA . 15381 1 448 . 1 1 44 44 LEU HB2 H 1 1.462 0.035 . 2 . . . . 44 L QB . 15381 1 449 . 1 1 44 44 LEU HB3 H 1 1.462 0.035 . 2 . . . . 44 L QB . 15381 1 450 . 1 1 44 44 LEU HD11 H 1 0.633 0.035 . 1 . . . . 44 L QD1 . 15381 1 451 . 1 1 44 44 LEU HD12 H 1 0.633 0.035 . 1 . . . . 44 L QD1 . 15381 1 452 . 1 1 44 44 LEU HD13 H 1 0.633 0.035 . 1 . . . . 44 L QD1 . 15381 1 453 . 1 1 44 44 LEU HD21 H 1 0.755 0.035 . 1 . . . . 44 L QD2 . 15381 1 454 . 1 1 44 44 LEU HD22 H 1 0.755 0.035 . 1 . . . . 44 L QD2 . 15381 1 455 . 1 1 44 44 LEU HD23 H 1 0.755 0.035 . 1 . . . . 44 L QD2 . 15381 1 456 . 1 1 44 44 LEU HG H 1 1.493 0.035 . 1 . . . . 44 L HG . 15381 1 457 . 1 1 44 44 LEU CA C 13 53.888 0.4 . 1 . . . . 44 L CA . 15381 1 458 . 1 1 44 44 LEU CB C 13 45.417 0.4 . 1 . . . . 44 L CB . 15381 1 459 . 1 1 44 44 LEU CD1 C 13 26.856 0.4 . 1 . . . . 44 L CD1 . 15381 1 460 . 1 1 44 44 LEU CD2 C 13 26.377 0.4 . 1 . . . . 44 L CD2 . 15381 1 461 . 1 1 44 44 LEU CG C 13 27.174 0.4 . 1 . . . . 44 L CG . 15381 1 462 . 1 1 44 44 LEU N N 15 121.818 0.4 . 1 . . . . 44 L N . 15381 1 463 . 1 1 45 45 ILE H H 1 8.702 0.035 . 1 . . . . 45 I HN . 15381 1 464 . 1 1 45 45 ILE HA H 1 5.124 0.035 . 1 . . . . 45 I HA . 15381 1 465 . 1 1 45 45 ILE HB H 1 1.705 0.035 . 1 . . . . 45 I HB . 15381 1 466 . 1 1 45 45 ILE HD11 H 1 0.732 0.035 . 1 . . . . 45 I QD1 . 15381 1 467 . 1 1 45 45 ILE HD12 H 1 0.732 0.035 . 1 . . . . 45 I QD1 . 15381 1 468 . 1 1 45 45 ILE HD13 H 1 0.732 0.035 . 1 . . . . 45 I QD1 . 15381 1 469 . 1 1 45 45 ILE HG12 H 1 1.119 0.035 . 2 . . . . 45 I HG12 . 15381 1 470 . 1 1 45 45 ILE HG13 H 1 1.414 0.035 . 2 . . . . 45 I HG13 . 15381 1 471 . 1 1 45 45 ILE HG21 H 1 0.761 0.035 . 1 . . . . 45 I QG2 . 15381 1 472 . 1 1 45 45 ILE HG22 H 1 0.761 0.035 . 1 . . . . 45 I QG2 . 15381 1 473 . 1 1 45 45 ILE HG23 H 1 0.761 0.035 . 1 . . . . 45 I QG2 . 15381 1 474 . 1 1 45 45 ILE CA C 13 59.894 0.4 . 1 . . . . 45 I CA . 15381 1 475 . 1 1 45 45 ILE CB C 13 38.897 0.4 . 1 . . . . 45 I CB . 15381 1 476 . 1 1 45 45 ILE CD1 C 13 12.082 0.4 . 1 . . . . 45 I CD1 . 15381 1 477 . 1 1 45 45 ILE CG1 C 13 27.193 0.4 . 1 . . . . 45 I CG1 . 15381 1 478 . 1 1 45 45 ILE CG2 C 13 16.885 0.4 . 1 . . . . 45 I CG2 . 15381 1 479 . 1 1 45 45 ILE N N 15 121.357 0.4 . 1 . . . . 45 I N . 15381 1 480 . 1 1 46 46 VAL H H 1 9.146 0.035 . 1 . . . . 46 V HN . 15381 1 481 . 1 1 46 46 VAL HA H 1 4.766 0.035 . 1 . . . . 46 V HA . 15381 1 482 . 1 1 46 46 VAL HB H 1 1.833 0.035 . 1 . . . . 46 V HB . 15381 1 483 . 1 1 46 46 VAL HG11 H 1 0.748 0.035 . 1 . . . . 46 V QG1 . 15381 1 484 . 1 1 46 46 VAL HG12 H 1 0.748 0.035 . 1 . . . . 46 V QG1 . 15381 1 485 . 1 1 46 46 VAL HG13 H 1 0.748 0.035 . 1 . . . . 46 V QG1 . 15381 1 486 . 1 1 46 46 VAL HG21 H 1 0.764 0.035 . 1 . . . . 46 V QG2 . 15381 1 487 . 1 1 46 46 VAL HG22 H 1 0.764 0.035 . 1 . . . . 46 V QG2 . 15381 1 488 . 1 1 46 46 VAL HG23 H 1 0.764 0.035 . 1 . . . . 46 V QG2 . 15381 1 489 . 1 1 46 46 VAL CA C 13 59.758 0.4 . 1 . . . . 46 V CA . 15381 1 490 . 1 1 46 46 VAL CB C 13 35.278 0.4 . 1 . . . . 46 V CB . 15381 1 491 . 1 1 46 46 VAL CG1 C 13 21.247 0.4 . 1 . . . . 46 V CG1 . 15381 1 492 . 1 1 46 46 VAL CG2 C 13 22.537 0.4 . 1 . . . . 46 V CG2 . 15381 1 493 . 1 1 46 46 VAL N N 15 127.880 0.4 . 1 . . . . 46 V N . 15381 1 494 . 1 1 47 47 VAL H H 1 9.089 0.035 . 1 . . . . 47 V HN . 15381 1 495 . 1 1 47 47 VAL HA H 1 4.538 0.035 . 1 . . . . 47 V HA . 15381 1 496 . 1 1 47 47 VAL HB H 1 1.966 0.035 . 1 . . . . 47 V HB . 15381 1 497 . 1 1 47 47 VAL HG11 H 1 0.828 0.035 . 1 . . . . 47 V QG1 . 15381 1 498 . 1 1 47 47 VAL HG12 H 1 0.828 0.035 . 1 . . . . 47 V QG1 . 15381 1 499 . 1 1 47 47 VAL HG13 H 1 0.828 0.035 . 1 . . . . 47 V QG1 . 15381 1 500 . 1 1 47 47 VAL HG21 H 1 0.887 0.035 . 1 . . . . 47 V QG2 . 15381 1 501 . 1 1 47 47 VAL HG22 H 1 0.887 0.035 . 1 . . . . 47 V QG2 . 15381 1 502 . 1 1 47 47 VAL HG23 H 1 0.887 0.035 . 1 . . . . 47 V QG2 . 15381 1 503 . 1 1 47 47 VAL CA C 13 62.422 0.4 . 1 . . . . 47 V CA . 15381 1 504 . 1 1 47 47 VAL CB C 13 32.877 0.4 . 1 . . . . 47 V CB . 15381 1 505 . 1 1 47 47 VAL CG1 C 13 21.215 0.4 . 1 . . . . 47 V CG1 . 15381 1 506 . 1 1 47 47 VAL CG2 C 13 21.238 0.4 . 1 . . . . 47 V CG2 . 15381 1 507 . 1 1 47 47 VAL N N 15 128.815 0.4 . 1 . . . . 47 V N . 15381 1 508 . 1 1 48 48 VAL H H 1 8.873 0.035 . 1 . . . . 48 V HN . 15381 1 509 . 1 1 48 48 VAL HA H 1 5.021 0.035 . 1 . . . . 48 V HA . 15381 1 510 . 1 1 48 48 VAL HB H 1 1.876 0.035 . 1 . . . . 48 V HB . 15381 1 511 . 1 1 48 48 VAL HG11 H 1 0.781 0.035 . 1 . . . . 48 V QG1 . 15381 1 512 . 1 1 48 48 VAL HG12 H 1 0.781 0.035 . 1 . . . . 48 V QG1 . 15381 1 513 . 1 1 48 48 VAL HG13 H 1 0.781 0.035 . 1 . . . . 48 V QG1 . 15381 1 514 . 1 1 48 48 VAL HG21 H 1 0.801 0.035 . 1 . . . . 48 V QG2 . 15381 1 515 . 1 1 48 48 VAL HG22 H 1 0.801 0.035 . 1 . . . . 48 V QG2 . 15381 1 516 . 1 1 48 48 VAL HG23 H 1 0.801 0.035 . 1 . . . . 48 V QG2 . 15381 1 517 . 1 1 48 48 VAL CA C 13 60.300 0.4 . 1 . . . . 48 V CA . 15381 1 518 . 1 1 48 48 VAL CB C 13 34.554 0.4 . 1 . . . . 48 V CB . 15381 1 519 . 1 1 48 48 VAL CG1 C 13 21.878 0.4 . 1 . . . . 48 V CG1 . 15381 1 520 . 1 1 48 48 VAL CG2 C 13 21.243 0.4 . 1 . . . . 48 V CG2 . 15381 1 521 . 1 1 48 48 VAL N N 15 127.821 0.4 . 1 . . . . 48 V N . 15381 1 522 . 1 1 49 49 GLU H H 1 8.873 0.035 . 1 . . . . 49 E HN . 15381 1 523 . 1 1 49 49 GLU HA H 1 5.416 0.035 . 1 . . . . 49 E HA . 15381 1 524 . 1 1 49 49 GLU HB2 H 1 2.021 0.035 . 2 . . . . 49 E QB . 15381 1 525 . 1 1 49 49 GLU HB3 H 1 2.021 0.035 . 2 . . . . 49 E QB . 15381 1 526 . 1 1 49 49 GLU HG2 H 1 2.340 0.035 . 2 . . . . 49 E QG . 15381 1 527 . 1 1 49 49 GLU HG3 H 1 2.340 0.035 . 2 . . . . 49 E QG . 15381 1 528 . 1 1 49 49 GLU CA C 13 53.827 0.4 . 1 . . . . 49 E CA . 15381 1 529 . 1 1 49 49 GLU CB C 13 32.801 0.4 . 1 . . . . 49 E CB . 15381 1 530 . 1 1 49 49 GLU CG C 13 35.851 0.4 . 1 . . . . 49 E CG . 15381 1 531 . 1 1 49 49 GLU N N 15 124.353 0.4 . 1 . . . . 49 E N . 15381 1 532 . 1 1 50 50 ALA H H 1 8.783 0.035 . 1 . . . . 50 A HN . 15381 1 533 . 1 1 50 50 ALA HA H 1 4.422 0.035 . 1 . . . . 50 A HA . 15381 1 534 . 1 1 50 50 ALA HB1 H 1 1.228 0.035 . 1 . . . . 50 A QB . 15381 1 535 . 1 1 50 50 ALA HB2 H 1 1.228 0.035 . 1 . . . . 50 A QB . 15381 1 536 . 1 1 50 50 ALA HB3 H 1 1.228 0.035 . 1 . . . . 50 A QB . 15381 1 537 . 1 1 50 50 ALA CA C 13 51.107 0.4 . 1 . . . . 50 A CA . 15381 1 538 . 1 1 50 50 ALA CB C 13 23.080 0.4 . 1 . . . . 50 A CB . 15381 1 539 . 1 1 50 50 ALA N N 15 122.886 0.4 . 1 . . . . 50 A N . 15381 1 540 . 1 1 51 51 GLU H H 1 8.521 0.035 . 1 . . . . 51 E HN . 15381 1 541 . 1 1 51 51 GLU HA H 1 3.118 0.035 . 1 . . . . 51 E HA . 15381 1 542 . 1 1 51 51 GLU HB2 H 1 1.412 0.035 . 2 . . . . 51 E HB2 . 15381 1 543 . 1 1 51 51 GLU HB3 H 1 1.495 0.035 . 2 . . . . 51 E HB3 . 15381 1 544 . 1 1 51 51 GLU HG2 H 1 1.744 0.035 . 2 . . . . 51 E HG2 . 15381 1 545 . 1 1 51 51 GLU HG3 H 1 1.816 0.035 . 2 . . . . 51 E HG3 . 15381 1 546 . 1 1 51 51 GLU CA C 13 58.091 0.4 . 1 . . . . 51 E CA . 15381 1 547 . 1 1 51 51 GLU CB C 13 30.108 0.4 . 1 . . . . 51 E CB . 15381 1 548 . 1 1 51 51 GLU CG C 13 36.161 0.4 . 1 . . . . 51 E CG . 15381 1 549 . 1 1 51 51 GLU N N 15 119.284 0.4 . 1 . . . . 51 E N . 15381 1 550 . 1 1 52 52 ASP H H 1 7.165 0.035 . 1 . . . . 52 D HN . 15381 1 551 . 1 1 52 52 ASP HA H 1 4.592 0.035 . 1 . . . . 52 D HA . 15381 1 552 . 1 1 52 52 ASP HB2 H 1 2.750 0.035 . 2 . . . . 52 D HB2 . 15381 1 553 . 1 1 52 52 ASP HB3 H 1 2.940 0.035 . 2 . . . . 52 D HB3 . 15381 1 554 . 1 1 52 52 ASP CA C 13 52.215 0.4 . 1 . . . . 52 D CA . 15381 1 555 . 1 1 52 52 ASP CB C 13 42.851 0.4 . 1 . . . . 52 D CB . 15381 1 556 . 1 1 52 52 ASP N N 15 111.639 0.4 . 1 . . . . 52 D N . 15381 1 557 . 1 1 53 53 SER H H 1 8.692 0.035 . 1 . . . . 53 S HN . 15381 1 558 . 1 1 53 53 SER HA H 1 3.966 0.035 . 1 . . . . 53 S HA . 15381 1 559 . 1 1 53 53 SER HB2 H 1 3.827 0.035 . 2 . . . . 53 S QB . 15381 1 560 . 1 1 53 53 SER HB3 H 1 3.827 0.035 . 2 . . . . 53 S QB . 15381 1 561 . 1 1 53 53 SER CA C 13 61.902 0.4 . 1 . . . . 53 S CA . 15381 1 562 . 1 1 53 53 SER CB C 13 62.965 0.4 . 1 . . . . 53 S CB . 15381 1 563 . 1 1 53 53 SER N N 15 115.722 0.4 . 1 . . . . 53 S N . 15381 1 564 . 1 1 54 54 GLU H H 1 8.553 0.035 . 1 . . . . 54 E HN . 15381 1 565 . 1 1 54 54 GLU HA H 1 3.937 0.035 . 1 . . . . 54 E HA . 15381 1 566 . 1 1 54 54 GLU HB2 H 1 1.882 0.035 . 2 . . . . 54 E HB2 . 15381 1 567 . 1 1 54 54 GLU HB3 H 1 2.011 0.035 . 2 . . . . 54 E HB3 . 15381 1 568 . 1 1 54 54 GLU HG2 H 1 2.209 0.035 . 2 . . . . 54 E HG2 . 15381 1 569 . 1 1 54 54 GLU HG3 H 1 2.247 0.035 . 2 . . . . 54 E HG3 . 15381 1 570 . 1 1 54 54 GLU CA C 13 60.064 0.4 . 1 . . . . 54 E CA . 15381 1 571 . 1 1 54 54 GLU CB C 13 28.915 0.4 . 1 . . . . 54 E CB . 15381 1 572 . 1 1 54 54 GLU CG C 13 36.787 0.4 . 1 . . . . 54 E CG . 15381 1 573 . 1 1 54 54 GLU N N 15 122.394 0.4 . 1 . . . . 54 E N . 15381 1 574 . 1 1 55 55 THR H H 1 8.494 0.035 . 1 . . . . 55 T HN . 15381 1 575 . 1 1 55 55 THR HA H 1 3.848 0.035 . 1 . . . . 55 T HA . 15381 1 576 . 1 1 55 55 THR HB H 1 3.963 0.035 . 1 . . . . 55 T HB . 15381 1 577 . 1 1 55 55 THR HG21 H 1 1.205 0.035 . 1 . . . . 55 T QG2 . 15381 1 578 . 1 1 55 55 THR HG22 H 1 1.205 0.035 . 1 . . . . 55 T QG2 . 15381 1 579 . 1 1 55 55 THR HG23 H 1 1.205 0.035 . 1 . . . . 55 T QG2 . 15381 1 580 . 1 1 55 55 THR CA C 13 66.336 0.4 . 1 . . . . 55 T CA . 15381 1 581 . 1 1 55 55 THR CB C 13 67.889 0.4 . 1 . . . . 55 T CB . 15381 1 582 . 1 1 55 55 THR CG2 C 13 21.702 0.4 . 1 . . . . 55 T CG2 . 15381 1 583 . 1 1 55 55 THR N N 15 116.925 0.4 . 1 . . . . 55 T N . 15381 1 584 . 1 1 56 56 LEU H H 1 7.644 0.035 . 1 . . . . 56 L HN . 15381 1 585 . 1 1 56 56 LEU HA H 1 3.711 0.035 . 1 . . . . 56 L HA . 15381 1 586 . 1 1 56 56 LEU HB2 H 1 1.345 0.035 . 2 . . . . 56 L HB2 . 15381 1 587 . 1 1 56 56 LEU HB3 H 1 2.003 0.035 . 2 . . . . 56 L HB3 . 15381 1 588 . 1 1 56 56 LEU HD11 H 1 0.720 0.035 . 1 . . . . 56 L QD1 . 15381 1 589 . 1 1 56 56 LEU HD12 H 1 0.720 0.035 . 1 . . . . 56 L QD1 . 15381 1 590 . 1 1 56 56 LEU HD13 H 1 0.720 0.035 . 1 . . . . 56 L QD1 . 15381 1 591 . 1 1 56 56 LEU HD21 H 1 0.803 0.035 . 1 . . . . 56 L QD2 . 15381 1 592 . 1 1 56 56 LEU HD22 H 1 0.803 0.035 . 1 . . . . 56 L QD2 . 15381 1 593 . 1 1 56 56 LEU HD23 H 1 0.803 0.035 . 1 . . . . 56 L QD2 . 15381 1 594 . 1 1 56 56 LEU HG H 1 1.433 0.035 . 1 . . . . 56 L HG . 15381 1 595 . 1 1 56 56 LEU CA C 13 59.172 0.4 . 1 . . . . 56 L CA . 15381 1 596 . 1 1 56 56 LEU CB C 13 41.811 0.4 . 1 . . . . 56 L CB . 15381 1 597 . 1 1 56 56 LEU CD1 C 13 23.959 0.4 . 1 . . . . 56 L CD1 . 15381 1 598 . 1 1 56 56 LEU CD2 C 13 25.890 0.4 . 1 . . . . 56 L CD2 . 15381 1 599 . 1 1 56 56 LEU CG C 13 26.826 0.4 . 1 . . . . 56 L CG . 15381 1 600 . 1 1 56 56 LEU N N 15 124.682 0.4 . 1 . . . . 56 L N . 15381 1 601 . 1 1 57 57 ILE H H 1 7.992 0.035 . 1 . . . . 57 I HN . 15381 1 602 . 1 1 57 57 ILE HA H 1 3.568 0.035 . 1 . . . . 57 I HA . 15381 1 603 . 1 1 57 57 ILE HB H 1 1.912 0.035 . 1 . . . . 57 I HB . 15381 1 604 . 1 1 57 57 ILE HD11 H 1 0.771 0.035 . 1 . . . . 57 I QD1 . 15381 1 605 . 1 1 57 57 ILE HD12 H 1 0.771 0.035 . 1 . . . . 57 I QD1 . 15381 1 606 . 1 1 57 57 ILE HD13 H 1 0.771 0.035 . 1 . . . . 57 I QD1 . 15381 1 607 . 1 1 57 57 ILE HG12 H 1 1.253 0.035 . 2 . . . . 57 I HG12 . 15381 1 608 . 1 1 57 57 ILE HG13 H 1 1.596 0.035 . 2 . . . . 57 I HG13 . 15381 1 609 . 1 1 57 57 ILE HG21 H 1 0.884 0.035 . 1 . . . . 57 I QG2 . 15381 1 610 . 1 1 57 57 ILE HG22 H 1 0.884 0.035 . 1 . . . . 57 I QG2 . 15381 1 611 . 1 1 57 57 ILE HG23 H 1 0.884 0.035 . 1 . . . . 57 I QG2 . 15381 1 612 . 1 1 57 57 ILE CA C 13 64.816 0.4 . 1 . . . . 57 I CA . 15381 1 613 . 1 1 57 57 ILE CB C 13 37.678 0.4 . 1 . . . . 57 I CB . 15381 1 614 . 1 1 57 57 ILE CD1 C 13 12.409 0.4 . 1 . . . . 57 I CD1 . 15381 1 615 . 1 1 57 57 ILE CG1 C 13 29.268 0.4 . 1 . . . . 57 I CG1 . 15381 1 616 . 1 1 57 57 ILE CG2 C 13 17.388 0.4 . 1 . . . . 57 I CG2 . 15381 1 617 . 1 1 57 57 ILE N N 15 117.933 0.4 . 1 . . . . 57 I N . 15381 1 618 . 1 1 58 58 GLN H H 1 7.753 0.035 . 1 . . . . 58 Q HN . 15381 1 619 . 1 1 58 58 GLN HA H 1 4.009 0.035 . 1 . . . . 58 Q HA . 15381 1 620 . 1 1 58 58 GLN HB2 H 1 2.129 0.035 . 2 . . . . 58 Q QB . 15381 1 621 . 1 1 58 58 GLN HB3 H 1 2.129 0.035 . 2 . . . . 58 Q QB . 15381 1 622 . 1 1 58 58 GLN HG2 H 1 2.351 0.035 . 2 . . . . 58 Q HG2 . 15381 1 623 . 1 1 58 58 GLN HG3 H 1 2.437 0.035 . 2 . . . . 58 Q HG3 . 15381 1 624 . 1 1 58 58 GLN CA C 13 58.814 0.4 . 1 . . . . 58 Q CA . 15381 1 625 . 1 1 58 58 GLN CB C 13 28.356 0.4 . 1 . . . . 58 Q CB . 15381 1 626 . 1 1 58 58 GLN CG C 13 33.952 0.4 . 1 . . . . 58 Q CG . 15381 1 627 . 1 1 58 58 GLN N N 15 119.348 0.4 . 1 . . . . 58 Q N . 15381 1 628 . 1 1 59 59 THR H H 1 8.390 0.035 . 1 . . . . 59 T HN . 15381 1 629 . 1 1 59 59 THR HA H 1 3.754 0.035 . 1 . . . . 59 T HA . 15381 1 630 . 1 1 59 59 THR HB H 1 4.282 0.035 . 1 . . . . 59 T HB . 15381 1 631 . 1 1 59 59 THR HG21 H 1 1.067 0.035 . 1 . . . . 59 T QG2 . 15381 1 632 . 1 1 59 59 THR HG22 H 1 1.067 0.035 . 1 . . . . 59 T QG2 . 15381 1 633 . 1 1 59 59 THR HG23 H 1 1.067 0.035 . 1 . . . . 59 T QG2 . 15381 1 634 . 1 1 59 59 THR CA C 13 67.194 0.4 . 1 . . . . 59 T CA . 15381 1 635 . 1 1 59 59 THR CB C 13 68.183 0.4 . 1 . . . . 59 T CB . 15381 1 636 . 1 1 59 59 THR CG2 C 13 22.214 0.4 . 1 . . . . 59 T CG2 . 15381 1 637 . 1 1 59 59 THR N N 15 119.195 0.4 . 1 . . . . 59 T N . 15381 1 638 . 1 1 60 60 ILE H H 1 8.347 0.035 . 1 . . . . 60 I HN . 15381 1 639 . 1 1 60 60 ILE HA H 1 3.237 0.035 . 1 . . . . 60 I HA . 15381 1 640 . 1 1 60 60 ILE HB H 1 1.849 0.035 . 1 . . . . 60 I HB . 15381 1 641 . 1 1 60 60 ILE HD11 H 1 0.733 0.035 . 1 . . . . 60 I QD1 . 15381 1 642 . 1 1 60 60 ILE HD12 H 1 0.733 0.035 . 1 . . . . 60 I QD1 . 15381 1 643 . 1 1 60 60 ILE HD13 H 1 0.733 0.035 . 1 . . . . 60 I QD1 . 15381 1 644 . 1 1 60 60 ILE HG12 H 1 0.744 0.035 . 2 . . . . 60 I HG12 . 15381 1 645 . 1 1 60 60 ILE HG13 H 1 1.793 0.035 . 2 . . . . 60 I HG13 . 15381 1 646 . 1 1 60 60 ILE HG21 H 1 0.752 0.035 . 1 . . . . 60 I QG2 . 15381 1 647 . 1 1 60 60 ILE HG22 H 1 0.752 0.035 . 1 . . . . 60 I QG2 . 15381 1 648 . 1 1 60 60 ILE HG23 H 1 0.752 0.035 . 1 . . . . 60 I QG2 . 15381 1 649 . 1 1 60 60 ILE CA C 13 67.042 0.4 . 1 . . . . 60 I CA . 15381 1 650 . 1 1 60 60 ILE CB C 13 37.753 0.4 . 1 . . . . 60 I CB . 15381 1 651 . 1 1 60 60 ILE CD1 C 13 14.304 0.4 . 1 . . . . 60 I CD1 . 15381 1 652 . 1 1 60 60 ILE CG1 C 13 29.422 0.4 . 1 . . . . 60 I CG1 . 15381 1 653 . 1 1 60 60 ILE CG2 C 13 17.045 0.4 . 1 . . . . 60 I CG2 . 15381 1 654 . 1 1 60 60 ILE N N 15 122.491 0.4 . 1 . . . . 60 I N . 15381 1 655 . 1 1 61 61 GLU H H 1 7.955 0.035 . 1 . . . . 61 E HN . 15381 1 656 . 1 1 61 61 GLU HA H 1 3.926 0.035 . 1 . . . . 61 E HA . 15381 1 657 . 1 1 61 61 GLU HB2 H 1 1.994 0.035 . 2 . . . . 61 E HB2 . 15381 1 658 . 1 1 61 61 GLU HB3 H 1 2.026 0.035 . 2 . . . . 61 E HB3 . 15381 1 659 . 1 1 61 61 GLU CA C 13 59.208 0.4 . 1 . . . . 61 E CA . 15381 1 660 . 1 1 61 61 GLU CB C 13 28.795 0.4 . 1 . . . . 61 E CB . 15381 1 661 . 1 1 61 61 GLU N N 15 118.471 0.4 . 1 . . . . 61 E N . 15381 1 662 . 1 1 62 62 SER H H 1 7.972 0.035 . 1 . . . . 62 S HN . 15381 1 663 . 1 1 62 62 SER HA H 1 4.105 0.035 . 1 . . . . 62 S HA . 15381 1 664 . 1 1 62 62 SER HB2 H 1 3.479 0.035 . 2 . . . . 62 S HB2 . 15381 1 665 . 1 1 62 62 SER HB3 H 1 3.857 0.035 . 2 . . . . 62 S HB3 . 15381 1 666 . 1 1 62 62 SER CA C 13 62.280 0.4 . 1 . . . . 62 S CA . 15381 1 667 . 1 1 62 62 SER CB C 13 62.479 0.4 . 1 . . . . 62 S CB . 15381 1 668 . 1 1 62 62 SER N N 15 115.878 0.4 . 1 . . . . 62 S N . 15381 1 669 . 1 1 63 63 VAL H H 1 8.003 0.035 . 1 . . . . 63 V HN . 15381 1 670 . 1 1 63 63 VAL HA H 1 3.487 0.035 . 1 . . . . 63 V HA . 15381 1 671 . 1 1 63 63 VAL HB H 1 2.240 0.035 . 1 . . . . 63 V HB . 15381 1 672 . 1 1 63 63 VAL HG11 H 1 0.740 0.035 . 1 . . . . 63 V QG1 . 15381 1 673 . 1 1 63 63 VAL HG12 H 1 0.740 0.035 . 1 . . . . 63 V QG1 . 15381 1 674 . 1 1 63 63 VAL HG13 H 1 0.740 0.035 . 1 . . . . 63 V QG1 . 15381 1 675 . 1 1 63 63 VAL HG21 H 1 0.899 0.035 . 1 . . . . 63 V QG2 . 15381 1 676 . 1 1 63 63 VAL HG22 H 1 0.899 0.035 . 1 . . . . 63 V QG2 . 15381 1 677 . 1 1 63 63 VAL HG23 H 1 0.899 0.035 . 1 . . . . 63 V QG2 . 15381 1 678 . 1 1 63 63 VAL CA C 13 67.008 0.4 . 1 . . . . 63 V CA . 15381 1 679 . 1 1 63 63 VAL CB C 13 31.077 0.4 . 1 . . . . 63 V CB . 15381 1 680 . 1 1 63 63 VAL CG1 C 13 22.041 0.4 . 1 . . . . 63 V CG1 . 15381 1 681 . 1 1 63 63 VAL CG2 C 13 22.551 0.4 . 1 . . . . 63 V CG2 . 15381 1 682 . 1 1 63 63 VAL N N 15 123.447 0.4 . 1 . . . . 63 V N . 15381 1 683 . 1 1 64 64 ARG H H 1 7.940 0.035 . 1 . . . . 64 R HN . 15381 1 684 . 1 1 64 64 ARG HA H 1 3.699 0.035 . 1 . . . . 64 R HA . 15381 1 685 . 1 1 64 64 ARG HB2 H 1 1.778 0.035 . 2 . . . . 64 R HB2 . 15381 1 686 . 1 1 64 64 ARG HB3 H 1 1.804 0.035 . 2 . . . . 64 R HB3 . 15381 1 687 . 1 1 64 64 ARG HD2 H 1 3.126 0.035 . 2 . . . . 64 R QD . 15381 1 688 . 1 1 64 64 ARG HD3 H 1 3.126 0.035 . 2 . . . . 64 R QD . 15381 1 689 . 1 1 64 64 ARG HG2 H 1 1.497 0.035 . 2 . . . . 64 R HG2 . 15381 1 690 . 1 1 64 64 ARG HG3 H 1 1.660 0.035 . 2 . . . . 64 R HG3 . 15381 1 691 . 1 1 64 64 ARG CA C 13 58.871 0.4 . 1 . . . . 64 R CA . 15381 1 692 . 1 1 64 64 ARG CB C 13 30.531 0.4 . 1 . . . . 64 R CB . 15381 1 693 . 1 1 64 64 ARG CD C 13 43.404 0.4 . 1 . . . . 64 R CD . 15381 1 694 . 1 1 64 64 ARG CG C 13 28.611 0.4 . 1 . . . . 64 R CG . 15381 1 695 . 1 1 64 64 ARG N N 15 115.299 0.4 . 1 . . . . 64 R N . 15381 1 696 . 1 1 65 65 ASN H H 1 7.210 0.035 . 1 . . . . 65 N HN . 15381 1 697 . 1 1 65 65 ASN HA H 1 4.656 0.035 . 1 . . . . 65 N HA . 15381 1 698 . 1 1 65 65 ASN HB2 H 1 2.627 0.035 . 2 . . . . 65 N HB2 . 15381 1 699 . 1 1 65 65 ASN HB3 H 1 2.975 0.035 . 2 . . . . 65 N HB3 . 15381 1 700 . 1 1 65 65 ASN HD21 H 1 6.868 0.035 . 1 . . . . 65 N HD21 . 15381 1 701 . 1 1 65 65 ASN HD22 H 1 7.501 0.035 . 1 . . . . 65 N HD22 . 15381 1 702 . 1 1 65 65 ASN CA C 13 53.262 0.4 . 1 . . . . 65 N CA . 15381 1 703 . 1 1 65 65 ASN CB C 13 39.886 0.4 . 1 . . . . 65 N CB . 15381 1 704 . 1 1 65 65 ASN N N 15 113.089 0.4 . 1 . . . . 65 N N . 15381 1 705 . 1 1 65 65 ASN ND2 N 15 113.641 0.4 . 1 . . . . 65 N ND2 . 15381 1 706 . 1 1 66 66 VAL H H 1 7.414 0.035 . 1 . . . . 66 V HN . 15381 1 707 . 1 1 66 66 VAL HA H 1 3.738 0.035 . 1 . . . . 66 V HA . 15381 1 708 . 1 1 66 66 VAL HB H 1 2.165 0.035 . 1 . . . . 66 V HB . 15381 1 709 . 1 1 66 66 VAL HG11 H 1 0.855 0.035 . 1 . . . . 66 V QG1 . 15381 1 710 . 1 1 66 66 VAL HG12 H 1 0.855 0.035 . 1 . . . . 66 V QG1 . 15381 1 711 . 1 1 66 66 VAL HG13 H 1 0.855 0.035 . 1 . . . . 66 V QG1 . 15381 1 712 . 1 1 66 66 VAL HG21 H 1 1.180 0.035 . 1 . . . . 66 V QG2 . 15381 1 713 . 1 1 66 66 VAL HG22 H 1 1.180 0.035 . 1 . . . . 66 V QG2 . 15381 1 714 . 1 1 66 66 VAL HG23 H 1 1.180 0.035 . 1 . . . . 66 V QG2 . 15381 1 715 . 1 1 66 66 VAL CA C 13 64.090 0.4 . 1 . . . . 66 V CA . 15381 1 716 . 1 1 66 66 VAL CB C 13 31.453 0.4 . 1 . . . . 66 V CB . 15381 1 717 . 1 1 66 66 VAL CG1 C 13 22.359 0.4 . 1 . . . . 66 V CG1 . 15381 1 718 . 1 1 66 66 VAL CG2 C 13 23.662 0.4 . 1 . . . . 66 V CG2 . 15381 1 719 . 1 1 66 66 VAL N N 15 124.826 0.4 . 1 . . . . 66 V N . 15381 1 720 . 1 1 67 67 GLU H H 1 8.695 0.035 . 1 . . . . 67 E HN . 15381 1 721 . 1 1 67 67 GLU HA H 1 3.960 0.035 . 1 . . . . 67 E HA . 15381 1 722 . 1 1 67 67 GLU HB2 H 1 1.937 0.035 . 2 . . . . 67 E HB2 . 15381 1 723 . 1 1 67 67 GLU HB3 H 1 2.020 0.035 . 2 . . . . 67 E HB3 . 15381 1 724 . 1 1 67 67 GLU HG2 H 1 2.150 0.035 . 2 . . . . 67 E HG2 . 15381 1 725 . 1 1 67 67 GLU HG3 H 1 2.258 0.035 . 2 . . . . 67 E HG3 . 15381 1 726 . 1 1 67 67 GLU CA C 13 58.692 0.4 . 1 . . . . 67 E CA . 15381 1 727 . 1 1 67 67 GLU CB C 13 29.169 0.4 . 1 . . . . 67 E CB . 15381 1 728 . 1 1 67 67 GLU CG C 13 36.171 0.4 . 1 . . . . 67 E CG . 15381 1 729 . 1 1 67 67 GLU N N 15 130.629 0.4 . 1 . . . . 67 E N . 15381 1 730 . 1 1 68 68 GLY H H 1 8.698 0.035 . 1 . . . . 68 G HN . 15381 1 731 . 1 1 68 68 GLY HA2 H 1 3.440 0.035 . 2 . . . . 68 G HA1 . 15381 1 732 . 1 1 68 68 GLY HA3 H 1 4.236 0.035 . 2 . . . . 68 G HA2 . 15381 1 733 . 1 1 68 68 GLY CA C 13 44.748 0.4 . 1 . . . . 68 G CA . 15381 1 734 . 1 1 68 68 GLY N N 15 114.081 0.4 . 1 . . . . 68 G N . 15381 1 735 . 1 1 69 69 VAL H H 1 7.839 0.035 . 1 . . . . 69 V HN . 15381 1 736 . 1 1 69 69 VAL HA H 1 3.736 0.035 . 1 . . . . 69 V HA . 15381 1 737 . 1 1 69 69 VAL HB H 1 2.303 0.035 . 1 . . . . 69 V HB . 15381 1 738 . 1 1 69 69 VAL HG11 H 1 0.801 0.035 . 2 . . . . 69 V QG1 . 15381 1 739 . 1 1 69 69 VAL HG12 H 1 0.801 0.035 . 2 . . . . 69 V QG1 . 15381 1 740 . 1 1 69 69 VAL HG13 H 1 0.801 0.035 . 2 . . . . 69 V QG1 . 15381 1 741 . 1 1 69 69 VAL HG21 H 1 0.801 0.035 . 2 . . . . 69 V QG2 . 15381 1 742 . 1 1 69 69 VAL HG22 H 1 0.801 0.035 . 2 . . . . 69 V QG2 . 15381 1 743 . 1 1 69 69 VAL HG23 H 1 0.801 0.035 . 2 . . . . 69 V QG2 . 15381 1 744 . 1 1 69 69 VAL CA C 13 64.889 0.4 . 1 . . . . 69 V CA . 15381 1 745 . 1 1 69 69 VAL CB C 13 31.142 0.4 . 1 . . . . 69 V CB . 15381 1 746 . 1 1 69 69 VAL CG1 C 13 22.868 0.4 . 2 . . . . 69 V CG1 . 15381 1 747 . 1 1 69 69 VAL CG2 C 13 22.844 0.4 . 2 . . . . 69 V CG2 . 15381 1 748 . 1 1 69 69 VAL N N 15 120.636 0.4 . 1 . . . . 69 V N . 15381 1 749 . 1 1 70 70 LEU H H 1 9.280 0.035 . 1 . . . . 70 L HN . 15381 1 750 . 1 1 70 70 LEU HA H 1 4.360 0.035 . 1 . . . . 70 L HA . 15381 1 751 . 1 1 70 70 LEU HB2 H 1 1.366 0.035 . 2 . . . . 70 L HB2 . 15381 1 752 . 1 1 70 70 LEU HB3 H 1 1.447 0.035 . 2 . . . . 70 L HB3 . 15381 1 753 . 1 1 70 70 LEU HD11 H 1 0.755 0.035 . 1 . . . . 70 L QD1 . 15381 1 754 . 1 1 70 70 LEU HD12 H 1 0.755 0.035 . 1 . . . . 70 L QD1 . 15381 1 755 . 1 1 70 70 LEU HD13 H 1 0.755 0.035 . 1 . . . . 70 L QD1 . 15381 1 756 . 1 1 70 70 LEU HD21 H 1 0.755 0.035 . 1 . . . . 70 L QD2 . 15381 1 757 . 1 1 70 70 LEU HD22 H 1 0.755 0.035 . 1 . . . . 70 L QD2 . 15381 1 758 . 1 1 70 70 LEU HD23 H 1 0.755 0.035 . 1 . . . . 70 L QD2 . 15381 1 759 . 1 1 70 70 LEU HG H 1 1.633 0.035 . 1 . . . . 70 L HG . 15381 1 760 . 1 1 70 70 LEU CA C 13 55.617 0.4 . 1 . . . . 70 L CA . 15381 1 761 . 1 1 70 70 LEU CB C 13 43.220 0.4 . 1 . . . . 70 L CB . 15381 1 762 . 1 1 70 70 LEU CD1 C 13 25.253 0.4 . 1 . . . . 70 L CD1 . 15381 1 763 . 1 1 70 70 LEU CD2 C 13 22.352 0.4 . 1 . . . . 70 L CD2 . 15381 1 764 . 1 1 70 70 LEU CG C 13 26.854 0.4 . 1 . . . . 70 L CG . 15381 1 765 . 1 1 70 70 LEU N N 15 129.879 0.4 . 1 . . . . 70 L N . 15381 1 766 . 1 1 71 71 ALA H H 1 7.680 0.035 . 1 . . . . 71 A HN . 15381 1 767 . 1 1 71 71 ALA HA H 1 4.448 0.035 . 1 . . . . 71 A HA . 15381 1 768 . 1 1 71 71 ALA HB1 H 1 1.340 0.035 . 1 . . . . 71 A QB . 15381 1 769 . 1 1 71 71 ALA HB2 H 1 1.340 0.035 . 1 . . . . 71 A QB . 15381 1 770 . 1 1 71 71 ALA HB3 H 1 1.340 0.035 . 1 . . . . 71 A QB . 15381 1 771 . 1 1 71 71 ALA CA C 13 52.359 0.4 . 1 . . . . 71 A CA . 15381 1 772 . 1 1 71 71 ALA CB C 13 21.839 0.4 . 1 . . . . 71 A CB . 15381 1 773 . 1 1 71 71 ALA N N 15 119.157 0.4 . 1 . . . . 71 A N . 15381 1 774 . 1 1 72 72 VAL H H 1 8.436 0.035 . 1 . . . . 72 V HN . 15381 1 775 . 1 1 72 72 VAL HA H 1 4.871 0.035 . 1 . . . . 72 V HA . 15381 1 776 . 1 1 72 72 VAL HB H 1 1.804 0.035 . 1 . . . . 72 V HB . 15381 1 777 . 1 1 72 72 VAL HG11 H 1 0.773 0.035 . 2 . . . . 72 V QG1 . 15381 1 778 . 1 1 72 72 VAL HG12 H 1 0.773 0.035 . 2 . . . . 72 V QG1 . 15381 1 779 . 1 1 72 72 VAL HG13 H 1 0.773 0.035 . 2 . . . . 72 V QG1 . 15381 1 780 . 1 1 72 72 VAL HG21 H 1 0.773 0.035 . 2 . . . . 72 V QG2 . 15381 1 781 . 1 1 72 72 VAL HG22 H 1 0.773 0.035 . 2 . . . . 72 V QG2 . 15381 1 782 . 1 1 72 72 VAL HG23 H 1 0.773 0.035 . 2 . . . . 72 V QG2 . 15381 1 783 . 1 1 72 72 VAL CA C 13 61.167 0.4 . 1 . . . . 72 V CA . 15381 1 784 . 1 1 72 72 VAL CB C 13 35.308 0.4 . 1 . . . . 72 V CB . 15381 1 785 . 1 1 72 72 VAL CG1 C 13 22.646 0.4 . 2 . . . . 72 V CG1 . 15381 1 786 . 1 1 72 72 VAL CG2 C 13 22.669 0.4 . 2 . . . . 72 V CG2 . 15381 1 787 . 1 1 72 72 VAL N N 15 118.236 0.4 . 1 . . . . 72 V N . 15381 1 788 . 1 1 73 73 SER H H 1 8.695 0.035 . 1 . . . . 73 S HN . 15381 1 789 . 1 1 73 73 SER HA H 1 4.781 0.035 . 1 . . . . 73 S HA . 15381 1 790 . 1 1 73 73 SER HB2 H 1 3.661 0.035 . 2 . . . . 73 S HB2 . 15381 1 791 . 1 1 73 73 SER HB3 H 1 3.777 0.035 . 2 . . . . 73 S HB3 . 15381 1 792 . 1 1 73 73 SER CA C 13 56.921 0.4 . 1 . . . . 73 S CA . 15381 1 793 . 1 1 73 73 SER CB C 13 65.144 0.4 . 1 . . . . 73 S CB . 15381 1 794 . 1 1 73 73 SER N N 15 121.195 0.4 . 1 . . . . 73 S N . 15381 1 795 . 1 1 74 74 LEU H H 1 8.561 0.035 . 1 . . . . 74 L HN . 15381 1 796 . 1 1 74 74 LEU HA H 1 4.592 0.035 . 1 . . . . 74 L HA . 15381 1 797 . 1 1 74 74 LEU HB2 H 1 1.372 0.035 . 2 . . . . 74 L QB . 15381 1 798 . 1 1 74 74 LEU HB3 H 1 1.372 0.035 . 2 . . . . 74 L QB . 15381 1 799 . 1 1 74 74 LEU HD11 H 1 0.756 0.035 . 1 . . . . 74 L QD1 . 15381 1 800 . 1 1 74 74 LEU HD12 H 1 0.756 0.035 . 1 . . . . 74 L QD1 . 15381 1 801 . 1 1 74 74 LEU HD13 H 1 0.756 0.035 . 1 . . . . 74 L QD1 . 15381 1 802 . 1 1 74 74 LEU HD21 H 1 0.713 0.035 . 1 . . . . 74 L QD2 . 15381 1 803 . 1 1 74 74 LEU HD22 H 1 0.713 0.035 . 1 . . . . 74 L QD2 . 15381 1 804 . 1 1 74 74 LEU HD23 H 1 0.713 0.035 . 1 . . . . 74 L QD2 . 15381 1 805 . 1 1 74 74 LEU HG H 1 1.385 0.035 . 1 . . . . 74 L HG . 15381 1 806 . 1 1 74 74 LEU CA C 13 55.599 0.4 . 1 . . . . 74 L CA . 15381 1 807 . 1 1 74 74 LEU CB C 13 43.434 0.4 . 1 . . . . 74 L CB . 15381 1 808 . 1 1 74 74 LEU CD1 C 13 24.937 0.4 . 1 . . . . 74 L CD1 . 15381 1 809 . 1 1 74 74 LEU CD2 C 13 25.418 0.4 . 1 . . . . 74 L CD2 . 15381 1 810 . 1 1 74 74 LEU CG C 13 28.291 0.4 . 1 . . . . 74 L CG . 15381 1 811 . 1 1 74 74 LEU N N 15 126.016 0.4 . 1 . . . . 74 L N . 15381 1 812 . 1 1 75 75 VAL H H 1 8.597 0.035 . 1 . . . . 75 V HN . 15381 1 813 . 1 1 75 75 VAL HA H 1 4.050 0.035 . 1 . . . . 75 V HA . 15381 1 814 . 1 1 75 75 VAL HB H 1 1.858 0.035 . 1 . . . . 75 V HB . 15381 1 815 . 1 1 75 75 VAL HG11 H 1 0.721 0.035 . 2 . . . . 75 V QG1 . 15381 1 816 . 1 1 75 75 VAL HG12 H 1 0.721 0.035 . 2 . . . . 75 V QG1 . 15381 1 817 . 1 1 75 75 VAL HG13 H 1 0.721 0.035 . 2 . . . . 75 V QG1 . 15381 1 818 . 1 1 75 75 VAL HG21 H 1 0.721 0.035 . 2 . . . . 75 V QG2 . 15381 1 819 . 1 1 75 75 VAL HG22 H 1 0.721 0.035 . 2 . . . . 75 V QG2 . 15381 1 820 . 1 1 75 75 VAL HG23 H 1 0.721 0.035 . 2 . . . . 75 V QG2 . 15381 1 821 . 1 1 75 75 VAL CA C 13 62.246 0.4 . 1 . . . . 75 V CA . 15381 1 822 . 1 1 75 75 VAL CB C 13 33.389 0.4 . 1 . . . . 75 V CB . 15381 1 823 . 1 1 75 75 VAL CG1 C 13 21.081 0.4 . 2 . . . . 75 V CG1 . 15381 1 824 . 1 1 75 75 VAL CG2 C 13 21.057 0.4 . 2 . . . . 75 V CG2 . 15381 1 825 . 1 1 75 75 VAL N N 15 124.764 0.4 . 1 . . . . 75 V N . 15381 1 826 . 1 1 76 76 TYR H H 1 8.439 0.035 . 1 . . . . 76 Y HN . 15381 1 827 . 1 1 76 76 TYR HA H 1 4.611 0.035 . 1 . . . . 76 Y HA . 15381 1 828 . 1 1 76 76 TYR HB2 H 1 2.791 0.035 . 2 . . . . 76 Y HB2 . 15381 1 829 . 1 1 76 76 TYR HB3 H 1 2.934 0.035 . 2 . . . . 76 Y HB3 . 15381 1 830 . 1 1 76 76 TYR HD1 H 1 7.026 0.035 . 1 . . . . 76 Y QD . 15381 1 831 . 1 1 76 76 TYR HD2 H 1 7.026 0.035 . 1 . . . . 76 Y QD . 15381 1 832 . 1 1 76 76 TYR HE1 H 1 6.643 0.035 . 1 . . . . 76 Y QE . 15381 1 833 . 1 1 76 76 TYR HE2 H 1 6.643 0.035 . 1 . . . . 76 Y QE . 15381 1 834 . 1 1 76 76 TYR CA C 13 57.999 0.4 . 1 . . . . 76 Y CA . 15381 1 835 . 1 1 76 76 TYR CB C 13 39.328 0.4 . 1 . . . . 76 Y CB . 15381 1 836 . 1 1 76 76 TYR CD1 C 13 133.008 0.4 . 1 . . . . 76 Y CD1 . 15381 1 837 . 1 1 76 76 TYR CD2 C 13 133.008 0.4 . 1 . . . . 76 Y CD2 . 15381 1 838 . 1 1 76 76 TYR CE1 C 13 118.151 0.4 . 1 . . . . 76 Y CE1 . 15381 1 839 . 1 1 76 76 TYR CE2 C 13 118.151 0.4 . 1 . . . . 76 Y CE2 . 15381 1 840 . 1 1 76 76 TYR N N 15 125.445 0.4 . 1 . . . . 76 Y N . 15381 1 841 . 1 1 77 77 HIS H H 1 8.430 0.035 . 1 . . . . 77 H HN . 15381 1 842 . 1 1 77 77 HIS HA H 1 4.264 0.035 . 1 . . . . 77 H HA . 15381 1 843 . 1 1 77 77 HIS HB2 H 1 1.980 0.035 . 2 . . . . 77 H QB . 15381 1 844 . 1 1 77 77 HIS HB3 H 1 1.980 0.035 . 2 . . . . 77 H QB . 15381 1 845 . 1 1 77 77 HIS CA C 13 55.857 0.4 . 1 . . . . 77 H CA . 15381 1 846 . 1 1 77 77 HIS CB C 13 29.708 0.4 . 1 . . . . 77 H CB . 15381 1 847 . 1 1 77 77 HIS N N 15 122.665 0.4 . 1 . . . . 77 H N . 15381 1 848 . 1 1 78 78 GLN H H 1 8.526 0.035 . 1 . . . . 78 Q HN . 15381 1 849 . 1 1 78 78 GLN N N 15 122.606 0.4 . 1 . . . . 78 Q N . 15381 1 850 . 1 1 81 81 GLU HA H 1 4.240 0.035 . 1 . . . . 81 E HA . 15381 1 851 . 1 1 81 81 GLU HB2 H 1 1.880 0.035 . 2 . . . . 81 E HB2 . 15381 1 852 . 1 1 81 81 GLU HB3 H 1 1.996 0.035 . 2 . . . . 81 E HB3 . 15381 1 853 . 1 1 81 81 GLU CA C 13 56.559 0.4 . 1 . . . . 81 E CA . 15381 1 854 . 1 1 81 81 GLU CB C 13 30.375 0.4 . 1 . . . . 81 E CB . 15381 1 855 . 1 1 82 82 GLN H H 1 8.451 0.035 . 1 . . . . 82 Q HN . 15381 1 856 . 1 1 82 82 GLN HA H 1 4.289 0.035 . 1 . . . . 82 Q HA . 15381 1 857 . 1 1 82 82 GLN HB2 H 1 1.926 0.035 . 2 . . . . 82 Q HB2 . 15381 1 858 . 1 1 82 82 GLN HB3 H 1 2.031 0.035 . 2 . . . . 82 Q HB3 . 15381 1 859 . 1 1 82 82 GLN HG2 H 1 2.295 0.035 . 2 . . . . 82 Q QG . 15381 1 860 . 1 1 82 82 GLN HG3 H 1 2.295 0.035 . 2 . . . . 82 Q QG . 15381 1 861 . 1 1 82 82 GLN CA C 13 55.873 0.4 . 1 . . . . 82 Q CA . 15381 1 862 . 1 1 82 82 GLN CB C 13 29.586 0.4 . 1 . . . . 82 Q CB . 15381 1 863 . 1 1 82 82 GLN CG C 13 33.837 0.4 . 1 . . . . 82 Q CG . 15381 1 864 . 1 1 82 82 GLN N N 15 121.600 0.4 . 1 . . . . 82 Q N . 15381 1 865 . 1 1 83 83 GLY H H 1 8.404 0.035 . 1 . . . . 83 G HN . 15381 1 866 . 1 1 83 83 GLY HA2 H 1 3.906 0.035 . 2 . . . . 83 G HA1 . 15381 1 867 . 1 1 83 83 GLY HA3 H 1 3.952 0.035 . 2 . . . . 83 G HA2 . 15381 1 868 . 1 1 83 83 GLY CA C 13 45.201 0.4 . 1 . . . . 83 G CA . 15381 1 869 . 1 1 83 83 GLY N N 15 110.355 0.4 . 1 . . . . 83 G N . 15381 1 870 . 1 1 84 84 GLU H H 1 8.297 0.035 . 1 . . . . 84 E HN . 15381 1 871 . 1 1 84 84 GLU HA H 1 4.233 0.035 . 1 . . . . 84 E HA . 15381 1 872 . 1 1 84 84 GLU CA C 13 56.500 0.4 . 1 . . . . 84 E CA . 15381 1 873 . 1 1 84 84 GLU N N 15 120.590 0.4 . 1 . . . . 84 E N . 15381 1 874 . 1 1 85 85 GLU HA H 1 4.234 0.035 . 1 . . . . 85 E HA . 15381 1 875 . 1 1 85 85 GLU HB2 H 1 1.938 0.035 . 2 . . . . 85 E QB . 15381 1 876 . 1 1 85 85 GLU HB3 H 1 1.938 0.035 . 2 . . . . 85 E QB . 15381 1 877 . 1 1 85 85 GLU CA C 13 56.706 0.4 . 1 . . . . 85 E CA . 15381 1 878 . 1 1 85 85 GLU CB C 13 30.239 0.4 . 1 . . . . 85 E CB . 15381 1 879 . 1 1 86 86 THR H H 1 8.099 0.035 . 1 . . . . 86 T HN . 15381 1 880 . 1 1 86 86 THR HA H 1 4.495 0.035 . 1 . . . . 86 T HA . 15381 1 881 . 1 1 86 86 THR HB H 1 4.063 0.035 . 1 . . . . 86 T HB . 15381 1 882 . 1 1 86 86 THR HG21 H 1 1.159 0.035 . 1 . . . . 86 T QG2 . 15381 1 883 . 1 1 86 86 THR HG22 H 1 1.159 0.035 . 1 . . . . 86 T QG2 . 15381 1 884 . 1 1 86 86 THR HG23 H 1 1.159 0.035 . 1 . . . . 86 T QG2 . 15381 1 885 . 1 1 86 86 THR CA C 13 60.065 0.4 . 1 . . . . 86 T CA . 15381 1 886 . 1 1 86 86 THR CB C 13 69.646 0.4 . 1 . . . . 86 T CB . 15381 1 887 . 1 1 86 86 THR CG2 C 13 21.557 0.4 . 1 . . . . 86 T CG2 . 15381 1 888 . 1 1 86 86 THR N N 15 117.698 0.4 . 1 . . . . 86 T N . 15381 1 889 . 1 1 87 87 PRO HA H 1 4.325 0.035 . 1 . . . . 87 P HA . 15381 1 890 . 1 1 87 87 PRO HB2 H 1 1.776 0.035 . 2 . . . . 87 P HB2 . 15381 1 891 . 1 1 87 87 PRO HB3 H 1 2.209 0.035 . 2 . . . . 87 P HB3 . 15381 1 892 . 1 1 87 87 PRO HD2 H 1 3.574 0.035 . 2 . . . . 87 P HD2 . 15381 1 893 . 1 1 87 87 PRO HD3 H 1 3.786 0.035 . 2 . . . . 87 P HD3 . 15381 1 894 . 1 1 87 87 PRO HG2 H 1 1.894 0.035 . 2 . . . . 87 P HG2 . 15381 1 895 . 1 1 87 87 PRO HG3 H 1 1.940 0.035 . 2 . . . . 87 P HG3 . 15381 1 896 . 1 1 87 87 PRO CA C 13 63.381 0.4 . 1 . . . . 87 P CA . 15381 1 897 . 1 1 87 87 PRO CB C 13 31.993 0.4 . 1 . . . . 87 P CB . 15381 1 898 . 1 1 87 87 PRO CD C 13 51.088 0.4 . 1 . . . . 87 P CD . 15381 1 899 . 1 1 87 87 PRO CG C 13 27.490 0.4 . 1 . . . . 87 P CG . 15381 1 900 . 1 1 88 88 ARG H H 1 8.392 0.035 . 1 . . . . 88 R HN . 15381 1 901 . 1 1 88 88 ARG HA H 1 4.215 0.035 . 1 . . . . 88 R HA . 15381 1 902 . 1 1 88 88 ARG HB2 H 1 1.649 0.035 . 2 . . . . 88 R HB2 . 15381 1 903 . 1 1 88 88 ARG HB3 H 1 1.737 0.035 . 2 . . . . 88 R HB3 . 15381 1 904 . 1 1 88 88 ARG HD2 H 1 3.064 0.035 . 2 . . . . 88 R QD . 15381 1 905 . 1 1 88 88 ARG HD3 H 1 3.064 0.035 . 2 . . . . 88 R QD . 15381 1 906 . 1 1 88 88 ARG HG2 H 1 1.529 0.035 . 2 . . . . 88 R HG2 . 15381 1 907 . 1 1 88 88 ARG HG3 H 1 1.554 0.035 . 2 . . . . 88 R HG3 . 15381 1 908 . 1 1 88 88 ARG CA C 13 56.156 0.4 . 1 . . . . 88 R CA . 15381 1 909 . 1 1 88 88 ARG CB C 13 30.740 0.4 . 1 . . . . 88 R CB . 15381 1 910 . 1 1 88 88 ARG CD C 13 43.258 0.4 . 1 . . . . 88 R CD . 15381 1 911 . 1 1 88 88 ARG CG C 13 27.018 0.4 . 1 . . . . 88 R CG . 15381 1 912 . 1 1 88 88 ARG N N 15 121.203 0.4 . 1 . . . . 88 R N . 15381 1 stop_ save_