data_15841 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15841 _Entry.Title ; Solution NMR Structure of Protein FeoA from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-29 _Entry.Accession_date 2008-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ana Zeri . . . 15841 2 Kiran Singarapu . K. . 15841 3 Jeffrey Mills . L. . 15841 4 Yibing Wu . . . 15841 5 Erwin Garcia . . . 15841 6 Huang Wang . . . 15841 7 Mei Jiang . . . 15841 8 Erica Foote . L. . 15841 9 Rong Xiao . . . 15841 10 Rajesh Nair . . . 15841 11 John Everett . K. . 15841 12 G Swapna . V.T. . 15841 13 Thomas Acton . B. . 15841 14 Burkhard Rost . . . 15841 15 Gaetano Montelione . T. . 15841 16 Thomas Szyperski . . . 15841 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15841 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15841 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 15841 '15N chemical shifts' 82 15841 '1H chemical shifts' 595 15841 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-27 2008-06-28 update BMRB 'update entity/assembly names' 15841 1 . . 2008-08-19 2008-06-28 original author 'original release' 15841 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K5L 'BMRB Entry Tracking System' 15841 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15841 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of Protein FeoA from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR17 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ana Zeri . . . 15841 1 2 Kiran Singarapu . K. . 15841 1 3 Jeffrey Mills . L. . 15841 1 4 Yibing Wu . . . 15841 1 5 Erwin Garcia . . . 15841 1 6 Huang Wang . . . 15841 1 7 Mei Jiang . . . 15841 1 8 Erica Foote . L. . 15841 1 9 Rong Xiao . . . 15841 1 10 Rajesh Nair . . . 15841 1 11 John Everett . K. . 15841 1 12 G Swapna . V.T. . 15841 1 13 Thomas Acton . B. . 15841 1 14 Burkhard Rost . . . 15841 1 15 Gaetano Montelione . T. . 15841 1 16 Thomas Szyperski . . . 15841 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15841 _Assembly.ID 1 _Assembly.Name 'Protein FeoA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 CmR17 1 $entity A . yes native no no . . . 15841 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15841 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CmR17 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFSLRDAKCGQTVKVVKLHG TGALKRRIMDMGITRGCEIY IRKVAPLGDPIQINVRGYEL SLRKSAAEMIEVELEHHHHH H ; _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 81 _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 9247.962 _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 2K5L . "Solution Nmr Structure Of Protein Feoa From Clostridium Thermocellum, Northeast Structural Genomics Consortium Target Cmr17" . . . . . 100.00 81 100.00 100.00 6.11e-51 . . . . 15841 1 2 no DBJ GAE86915 . "ferrous iron transport protein A [[Clostridium] straminisolvens JCM 21531]" . . . . . 55.56 47 100.00 100.00 4.43e-23 . . . . 15841 1 3 no EMBL CDG35310 . "hypothetical protein CTHBC1_0646 [Ruminiclostridium thermocellum BC1]" . . . . . 90.12 73 100.00 100.00 1.20e-44 . . . . 15841 1 4 no GB ABN51854 . "FeoA family protein [Ruminiclostridium thermocellum ATCC 27405]" . . . . . 90.12 73 100.00 100.00 1.20e-44 . . . . 15841 1 5 no GB ADU74670 . "FeoA family protein [Ruminiclostridium thermocellum DSM 1313]" . . . . . 90.12 73 100.00 100.00 1.20e-44 . . . . 15841 1 6 no GB EEU02157 . "FeoA family protein [Ruminiclostridium thermocellum DSM 2360]" . . . . . 90.12 73 98.63 98.63 2.39e-43 . . . . 15841 1 7 no GB EFB38990 . "FeoA family protein [Ruminiclostridium thermocellum JW20]" . . . . . 90.12 73 100.00 100.00 1.20e-44 . . . . 15841 1 8 no GB EIC05553 . "FeoA family protein [Ruminiclostridium thermocellum YS]" . . . . . 90.12 73 100.00 100.00 1.20e-44 . . . . 15841 1 9 no REF WP_003516537 . "iron transporter FeoA [Ruminiclostridium thermocellum]" . . . . . 90.12 73 98.63 98.63 2.39e-43 . . . . 15841 1 10 no REF WP_003520966 . "iron transporter FeoA [Ruminiclostridium thermocellum]" . . . . . 90.12 73 100.00 100.00 1.20e-44 . . . . 15841 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 . 15841 1 2 . PHE . 15841 1 3 . SER . 15841 1 4 . LEU . 15841 1 5 . ARG . 15841 1 6 . ASP . 15841 1 7 . ALA . 15841 1 8 . LYS . 15841 1 9 . CYS . 15841 1 10 . GLY . 15841 1 11 . GLN . 15841 1 12 . THR . 15841 1 13 . VAL . 15841 1 14 . LYS . 15841 1 15 . VAL . 15841 1 16 . VAL . 15841 1 17 . LYS . 15841 1 18 . LEU . 15841 1 19 . HIS . 15841 1 20 . GLY . 15841 1 21 . THR . 15841 1 22 . GLY . 15841 1 23 . ALA . 15841 1 24 . LEU . 15841 1 25 . LYS . 15841 1 26 . ARG . 15841 1 27 . ARG . 15841 1 28 . ILE . 15841 1 29 . MET . 15841 1 30 . ASP . 15841 1 31 . MET . 15841 1 32 . GLY . 15841 1 33 . ILE . 15841 1 34 . THR . 15841 1 35 . ARG . 15841 1 36 . GLY . 15841 1 37 . CYS . 15841 1 38 . GLU . 15841 1 39 . ILE . 15841 1 40 . TYR . 15841 1 41 . ILE . 15841 1 42 . ARG . 15841 1 43 . LYS . 15841 1 44 . VAL . 15841 1 45 . ALA . 15841 1 46 . PRO . 15841 1 47 . LEU . 15841 1 48 . GLY . 15841 1 49 . ASP . 15841 1 50 . PRO . 15841 1 51 . ILE . 15841 1 52 . GLN . 15841 1 53 . ILE . 15841 1 54 . ASN . 15841 1 55 . VAL . 15841 1 56 . ARG . 15841 1 57 . GLY . 15841 1 58 . TYR . 15841 1 59 . GLU . 15841 1 60 . LEU . 15841 1 61 . SER . 15841 1 62 . LEU . 15841 1 63 . ARG . 15841 1 64 . LYS . 15841 1 65 . SER . 15841 1 66 . ALA . 15841 1 67 . ALA . 15841 1 68 . GLU . 15841 1 69 . MET . 15841 1 70 . ILE . 15841 1 71 . GLU . 15841 1 72 . VAL . 15841 1 73 . GLU . 15841 1 74 . LEU . 15841 1 75 . GLU . 15841 1 76 . HIS . 15841 1 77 . HIS . 15841 1 78 . HIS . 15841 1 79 . HIS . 15841 1 80 . HIS . 15841 1 81 . HIS . 15841 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 15841 1 . PHE 2 2 15841 1 . SER 3 3 15841 1 . LEU 4 4 15841 1 . ARG 5 5 15841 1 . ASP 6 6 15841 1 . ALA 7 7 15841 1 . LYS 8 8 15841 1 . CYS 9 9 15841 1 . GLY 10 10 15841 1 . GLN 11 11 15841 1 . THR 12 12 15841 1 . VAL 13 13 15841 1 . LYS 14 14 15841 1 . VAL 15 15 15841 1 . VAL 16 16 15841 1 . LYS 17 17 15841 1 . LEU 18 18 15841 1 . HIS 19 19 15841 1 . GLY 20 20 15841 1 . THR 21 21 15841 1 . GLY 22 22 15841 1 . ALA 23 23 15841 1 . LEU 24 24 15841 1 . LYS 25 25 15841 1 . ARG 26 26 15841 1 . ARG 27 27 15841 1 . ILE 28 28 15841 1 . MET 29 29 15841 1 . ASP 30 30 15841 1 . MET 31 31 15841 1 . GLY 32 32 15841 1 . ILE 33 33 15841 1 . THR 34 34 15841 1 . ARG 35 35 15841 1 . GLY 36 36 15841 1 . CYS 37 37 15841 1 . GLU 38 38 15841 1 . ILE 39 39 15841 1 . TYR 40 40 15841 1 . ILE 41 41 15841 1 . ARG 42 42 15841 1 . LYS 43 43 15841 1 . VAL 44 44 15841 1 . ALA 45 45 15841 1 . PRO 46 46 15841 1 . LEU 47 47 15841 1 . GLY 48 48 15841 1 . ASP 49 49 15841 1 . PRO 50 50 15841 1 . ILE 51 51 15841 1 . GLN 52 52 15841 1 . ILE 53 53 15841 1 . ASN 54 54 15841 1 . VAL 55 55 15841 1 . ARG 56 56 15841 1 . GLY 57 57 15841 1 . TYR 58 58 15841 1 . GLU 59 59 15841 1 . LEU 60 60 15841 1 . SER 61 61 15841 1 . LEU 62 62 15841 1 . ARG 63 63 15841 1 . LYS 64 64 15841 1 . SER 65 65 15841 1 . ALA 66 66 15841 1 . ALA 67 67 15841 1 . GLU 68 68 15841 1 . MET 69 69 15841 1 . ILE 70 70 15841 1 . GLU 71 71 15841 1 . VAL 72 72 15841 1 . GLU 73 73 15841 1 . LEU 74 74 15841 1 . GLU 75 75 15841 1 . HIS 76 76 15841 1 . HIS 77 77 15841 1 . HIS 78 78 15841 1 . HIS 79 79 15841 1 . HIS 80 80 15841 1 . HIS 81 81 15841 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 15841 _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 $entity . 1515 organism . 'Clostridium thermocellum' 'Clostridium thermocellum' . . Bacteria . Clostridium thermocellum . . . . . . . . . . . . . . . . . . . . . 15841 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 15841 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 15841 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15841 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.1 . . mM . . . . 15841 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15841 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15841 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15841 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-10% 13C; U-100% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 15841 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15841 2 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15841 2 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 15841 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 15841 1 pH 6.5 . pH 15841 1 pressure 1 . atm 15841 1 temperature 298 . K 15841 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15841 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15841 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15841 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15841 _Software.ID 2 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15841 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15841 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15841 _Software.ID 3 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15841 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15841 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15841 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15841 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15841 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15841 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15841 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15841 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15841 _Software.ID 6 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15841 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15841 6 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15841 _Software.ID 7 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15841 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15841 7 'peak picking' 15841 7 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15841 _Software.ID 8 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15841 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15841 8 refinement 15841 8 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 15841 _Software.ID 9 _Software.Name SPSCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Glaser . . 15841 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15841 9 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 15841 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15841 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15841 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 15841 1 2 spectrometer_2 Varian INOVA . 600 . . . 15841 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 15841 _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-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 1 4 'GFT (4,3)D HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 1 5 'GFT (4,3)D simNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 1 6 'GFT (4,3)D HNCABCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 1 7 'GFT (4,3)D CABCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 1 8 'GFT (4,3)D HABCABCONHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15841 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 15841 _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 . . . . . . . . . 15841 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15841 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15841 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 15841 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 15841 1 2 '2D 1H-15N HSQC' . . . 15841 1 3 '3D HNCO' . . . 15841 1 4 'GFT (4,3)D HCCH COSY' . . . 15841 1 5 'GFT (4,3)D simNOESY' . . . 15841 1 6 'GFT (4,3)D HNCABCA' . . . 15841 1 7 'GFT (4,3)D CABCACONH' . . . 15841 1 8 'GFT (4,3)D HABCABCONHN' . . . 15841 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 2 $AutoAssign . . 15841 1 7 $XEASY . . 15841 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 1 1 MET H H 1 8.26 . . 1 . . . . 1 MET H . 15841 1 2 . 1 1 1 1 MET HA H 1 4.08 . . 1 . . . . 1 MET HA . 15841 1 3 . 1 1 1 1 MET HB2 H 1 2.06 . . 2 . . . . 1 MET HB2 . 15841 1 4 . 1 1 1 1 MET HB3 H 1 2.06 . . 2 . . . . 1 MET HB3 . 15841 1 5 . 1 1 1 1 MET HE1 H 1 1.65 . . 1 . . . . 1 MET HE . 15841 1 6 . 1 1 1 1 MET HE2 H 1 1.65 . . 1 . . . . 1 MET HE . 15841 1 7 . 1 1 1 1 MET HE3 H 1 1.65 . . 1 . . . . 1 MET HE . 15841 1 8 . 1 1 1 1 MET HG2 H 1 2.37 . . 2 . . . . 1 MET HG2 . 15841 1 9 . 1 1 1 1 MET HG3 H 1 2.17 . . 2 . . . . 1 MET HG3 . 15841 1 10 . 1 1 1 1 MET C C 13 170.6 . . 1 . . . . 1 MET C . 15841 1 11 . 1 1 1 1 MET CA C 13 54.9 . . 1 . . . . 1 MET CA . 15841 1 12 . 1 1 1 1 MET CB C 13 33.1 . . 1 . . . . 1 MET CB . 15841 1 13 . 1 1 1 1 MET CE C 13 17.5 . . 1 . . . . 1 MET CE . 15841 1 14 . 1 1 1 1 MET CG C 13 30.3 . . 1 . . . . 1 MET CG . 15841 1 15 . 1 1 1 1 MET N N 15 120.1 . . 1 . . . . 1 MET N . 15841 1 16 . 1 1 2 2 PHE H H 1 9.36 . . 1 . . . . 2 PHE H . 15841 1 17 . 1 1 2 2 PHE HA H 1 4.96 . . 1 . . . . 2 PHE HA . 15841 1 18 . 1 1 2 2 PHE HB2 H 1 2.99 . . 2 . . . . 2 PHE HB2 . 15841 1 19 . 1 1 2 2 PHE HB3 H 1 3.62 . . 2 . . . . 2 PHE HB3 . 15841 1 20 . 1 1 2 2 PHE HD1 H 1 7.35 . . 3 . . . . 2 PHE HD1 . 15841 1 21 . 1 1 2 2 PHE HD2 H 1 7.35 . . 3 . . . . 2 PHE HD2 . 15841 1 22 . 1 1 2 2 PHE HE1 H 1 7.01 . . 3 . . . . 2 PHE HE1 . 15841 1 23 . 1 1 2 2 PHE HE2 H 1 7.01 . . 3 . . . . 2 PHE HE2 . 15841 1 24 . 1 1 2 2 PHE HZ H 1 7.07 . . 1 . . . . 2 PHE HZ . 15841 1 25 . 1 1 2 2 PHE C C 13 173.3 . . 1 . . . . 2 PHE C . 15841 1 26 . 1 1 2 2 PHE CA C 13 56.4 . . 1 . . . . 2 PHE CA . 15841 1 27 . 1 1 2 2 PHE CB C 13 38.5 . . 1 . . . . 2 PHE CB . 15841 1 28 . 1 1 2 2 PHE CD1 C 13 131.9 . . 1 . . . . 2 PHE CD1 . 15841 1 29 . 1 1 2 2 PHE CE1 C 13 130.4 . . 1 . . . . 2 PHE CE1 . 15841 1 30 . 1 1 2 2 PHE CZ C 13 128.4 . . 1 . . . . 2 PHE CZ . 15841 1 31 . 1 1 2 2 PHE N N 15 127.3 . . 1 . . . . 2 PHE N . 15841 1 32 . 1 1 3 3 SER H H 1 9.15 . . 1 . . . . 3 SER H . 15841 1 33 . 1 1 3 3 SER HA H 1 5.59 . . 1 . . . . 3 SER HA . 15841 1 34 . 1 1 3 3 SER HB2 H 1 3.61 . . 2 . . . . 3 SER HB2 . 15841 1 35 . 1 1 3 3 SER HB3 H 1 4.26 . . 2 . . . . 3 SER HB3 . 15841 1 36 . 1 1 3 3 SER C C 13 176.1 . . 1 . . . . 3 SER C . 15841 1 37 . 1 1 3 3 SER CA C 13 56.5 . . 1 . . . . 3 SER CA . 15841 1 38 . 1 1 3 3 SER CB C 13 68.1 . . 1 . . . . 3 SER CB . 15841 1 39 . 1 1 3 3 SER N N 15 124.0 . . 1 . . . . 3 SER N . 15841 1 40 . 1 1 4 4 LEU H H 1 8.54 . . 1 . . . . 4 LEU H . 15841 1 41 . 1 1 4 4 LEU HA H 1 3.77 . . 1 . . . . 4 LEU HA . 15841 1 42 . 1 1 4 4 LEU HB2 H 1 2.14 . . 2 . . . . 4 LEU HB2 . 15841 1 43 . 1 1 4 4 LEU HB3 H 1 1.29 . . 2 . . . . 4 LEU HB3 . 15841 1 44 . 1 1 4 4 LEU HD11 H 1 0.76 . . 2 . . . . 4 LEU HD1 . 15841 1 45 . 1 1 4 4 LEU HD12 H 1 0.76 . . 2 . . . . 4 LEU HD1 . 15841 1 46 . 1 1 4 4 LEU HD13 H 1 0.76 . . 2 . . . . 4 LEU HD1 . 15841 1 47 . 1 1 4 4 LEU HD21 H 1 0.71 . . 2 . . . . 4 LEU HD2 . 15841 1 48 . 1 1 4 4 LEU HD22 H 1 0.71 . . 2 . . . . 4 LEU HD2 . 15841 1 49 . 1 1 4 4 LEU HD23 H 1 0.71 . . 2 . . . . 4 LEU HD2 . 15841 1 50 . 1 1 4 4 LEU HG H 1 1.60 . . 1 . . . . 4 LEU HG . 15841 1 51 . 1 1 4 4 LEU C C 13 177.2 . . 1 . . . . 4 LEU C . 15841 1 52 . 1 1 4 4 LEU CA C 13 57.3 . . 1 . . . . 4 LEU CA . 15841 1 53 . 1 1 4 4 LEU CB C 13 41.6 . . 1 . . . . 4 LEU CB . 15841 1 54 . 1 1 4 4 LEU CD1 C 13 26.8 . . 1 . . . . 4 LEU CD1 . 15841 1 55 . 1 1 4 4 LEU CD2 C 13 22.3 . . 1 . . . . 4 LEU CD2 . 15841 1 56 . 1 1 4 4 LEU CG C 13 26.8 . . 1 . . . . 4 LEU CG . 15841 1 57 . 1 1 4 4 LEU N N 15 120.8 . . 1 . . . . 4 LEU N . 15841 1 58 . 1 1 5 5 ARG H H 1 7.15 . . 1 . . . . 5 ARG H . 15841 1 59 . 1 1 5 5 ARG HA H 1 3.83 . . 1 . . . . 5 ARG HA . 15841 1 60 . 1 1 5 5 ARG HB2 H 1 1.63 . . 2 . . . . 5 ARG HB2 . 15841 1 61 . 1 1 5 5 ARG HB3 H 1 1.52 . . 2 . . . . 5 ARG HB3 . 15841 1 62 . 1 1 5 5 ARG HD2 H 1 3.08 . . 2 . . . . 5 ARG HD2 . 15841 1 63 . 1 1 5 5 ARG HD3 H 1 3.08 . . 2 . . . . 5 ARG HD3 . 15841 1 64 . 1 1 5 5 ARG HG2 H 1 1.68 . . 2 . . . . 5 ARG HG2 . 15841 1 65 . 1 1 5 5 ARG HG3 H 1 1.76 . . 2 . . . . 5 ARG HG3 . 15841 1 66 . 1 1 5 5 ARG C C 13 175.9 . . 1 . . . . 5 ARG C . 15841 1 67 . 1 1 5 5 ARG CA C 13 57.3 . . 1 . . . . 5 ARG CA . 15841 1 68 . 1 1 5 5 ARG CB C 13 29.4 . . 1 . . . . 5 ARG CB . 15841 1 69 . 1 1 5 5 ARG CD C 13 43.3 . . 1 . . . . 5 ARG CD . 15841 1 70 . 1 1 5 5 ARG CG C 13 26.6 . . 1 . . . . 5 ARG CG . 15841 1 71 . 1 1 5 5 ARG N N 15 115.1 . . 1 . . . . 5 ARG N . 15841 1 72 . 1 1 6 6 ASP H H 1 7.60 . . 1 . . . . 6 ASP H . 15841 1 73 . 1 1 6 6 ASP HA H 1 4.49 . . 1 . . . . 6 ASP HA . 15841 1 74 . 1 1 6 6 ASP HB2 H 1 2.63 . . 2 . . . . 6 ASP HB2 . 15841 1 75 . 1 1 6 6 ASP HB3 H 1 2.42 . . 2 . . . . 6 ASP HB3 . 15841 1 76 . 1 1 6 6 ASP C C 13 175.7 . . 1 . . . . 6 ASP C . 15841 1 77 . 1 1 6 6 ASP CA C 13 54.7 . . 1 . . . . 6 ASP CA . 15841 1 78 . 1 1 6 6 ASP CB C 13 42.0 . . 1 . . . . 6 ASP CB . 15841 1 79 . 1 1 6 6 ASP N N 15 117.0 . . 1 . . . . 6 ASP N . 15841 1 80 . 1 1 7 7 ALA H H 1 6.99 . . 1 . . . . 7 ALA H . 15841 1 81 . 1 1 7 7 ALA HA H 1 4.39 . . 1 . . . . 7 ALA HA . 15841 1 82 . 1 1 7 7 ALA HB1 H 1 1.34 . . 1 . . . . 7 ALA HB . 15841 1 83 . 1 1 7 7 ALA HB2 H 1 1.34 . . 1 . . . . 7 ALA HB . 15841 1 84 . 1 1 7 7 ALA HB3 H 1 1.34 . . 1 . . . . 7 ALA HB . 15841 1 85 . 1 1 7 7 ALA C C 13 175.3 . . 1 . . . . 7 ALA C . 15841 1 86 . 1 1 7 7 ALA CA C 13 51.6 . . 1 . . . . 7 ALA CA . 15841 1 87 . 1 1 7 7 ALA CB C 13 19.5 . . 1 . . . . 7 ALA CB . 15841 1 88 . 1 1 7 7 ALA N N 15 122.2 . . 1 . . . . 7 ALA N . 15841 1 89 . 1 1 8 8 LYS H H 1 8.27 . . 1 . . . . 8 LYS H . 15841 1 90 . 1 1 8 8 LYS HA H 1 4.48 . . 1 . . . . 8 LYS HA . 15841 1 91 . 1 1 8 8 LYS HB2 H 1 1.87 . . 2 . . . . 8 LYS HB2 . 15841 1 92 . 1 1 8 8 LYS HB3 H 1 1.42 . . 2 . . . . 8 LYS HB3 . 15841 1 93 . 1 1 8 8 LYS HD2 H 1 1.63 . . 2 . . . . 8 LYS HD2 . 15841 1 94 . 1 1 8 8 LYS HD3 H 1 1.63 . . 2 . . . . 8 LYS HD3 . 15841 1 95 . 1 1 8 8 LYS HE2 H 1 3.01 . . 2 . . . . 8 LYS HE2 . 15841 1 96 . 1 1 8 8 LYS HE3 H 1 3.01 . . 2 . . . . 8 LYS HE3 . 15841 1 97 . 1 1 8 8 LYS HG2 H 1 1.41 . . 2 . . . . 8 LYS HG2 . 15841 1 98 . 1 1 8 8 LYS HG3 H 1 1.47 . . 2 . . . . 8 LYS HG3 . 15841 1 99 . 1 1 8 8 LYS C C 13 175.6 . . 1 . . . . 8 LYS C . 15841 1 100 . 1 1 8 8 LYS CA C 13 53.8 . . 1 . . . . 8 LYS CA . 15841 1 101 . 1 1 8 8 LYS CB C 13 34.6 . . 1 . . . . 8 LYS CB . 15841 1 102 . 1 1 8 8 LYS CD C 13 28.5 . . 1 . . . . 8 LYS CD . 15841 1 103 . 1 1 8 8 LYS CE C 13 42.1 . . 1 . . . . 8 LYS CE . 15841 1 104 . 1 1 8 8 LYS CG C 13 24.6 . . 1 . . . . 8 LYS CG . 15841 1 105 . 1 1 8 8 LYS N N 15 118.5 . . 1 . . . . 8 LYS N . 15841 1 106 . 1 1 9 9 CYS H H 1 8.40 . . 1 . . . . 9 CYS H . 15841 1 107 . 1 1 9 9 CYS HA H 1 3.63 . . 1 . . . . 9 CYS HA . 15841 1 108 . 1 1 9 9 CYS HB2 H 1 2.81 . . 2 . . . . 9 CYS HB2 . 15841 1 109 . 1 1 9 9 CYS HB3 H 1 2.67 . . 2 . . . . 9 CYS HB3 . 15841 1 110 . 1 1 9 9 CYS C C 13 175.7 . . 1 . . . . 9 CYS C . 15841 1 111 . 1 1 9 9 CYS CA C 13 60.3 . . 1 . . . . 9 CYS CA . 15841 1 112 . 1 1 9 9 CYS CB C 13 26.7 . . 1 . . . . 9 CYS CB . 15841 1 113 . 1 1 9 9 CYS N N 15 117.1 . . 1 . . . . 9 CYS N . 15841 1 114 . 1 1 10 10 GLY H H 1 8.95 . . 1 . . . . 10 GLY H . 15841 1 115 . 1 1 10 10 GLY HA2 H 1 3.79 . . 2 . . . . 10 GLY HA2 . 15841 1 116 . 1 1 10 10 GLY HA3 H 1 4.35 . . 2 . . . . 10 GLY HA3 . 15841 1 117 . 1 1 10 10 GLY C C 13 174.6 . . 1 . . . . 10 GLY C . 15841 1 118 . 1 1 10 10 GLY CA C 13 44.6 . . 1 . . . . 10 GLY CA . 15841 1 119 . 1 1 10 10 GLY N N 15 114.2 . . 1 . . . . 10 GLY N . 15841 1 120 . 1 1 11 11 GLN H H 1 7.75 . . 1 . . . . 11 GLN H . 15841 1 121 . 1 1 11 11 GLN HA H 1 4.50 . . 1 . . . . 11 GLN HA . 15841 1 122 . 1 1 11 11 GLN HB2 H 1 2.35 . . 2 . . . . 11 GLN HB2 . 15841 1 123 . 1 1 11 11 GLN HB3 H 1 1.78 . . 2 . . . . 11 GLN HB3 . 15841 1 124 . 1 1 11 11 GLN HE21 H 1 7.63 . . 2 . . . . 11 GLN HE21 . 15841 1 125 . 1 1 11 11 GLN HE22 H 1 6.66 . . 2 . . . . 11 GLN HE22 . 15841 1 126 . 1 1 11 11 GLN HG2 H 1 2.29 . . 2 . . . . 11 GLN HG2 . 15841 1 127 . 1 1 11 11 GLN HG3 H 1 2.28 . . 2 . . . . 11 GLN HG3 . 15841 1 128 . 1 1 11 11 GLN C C 13 174.2 . . 1 . . . . 11 GLN C . 15841 1 129 . 1 1 11 11 GLN CA C 13 56.0 . . 1 . . . . 11 GLN CA . 15841 1 130 . 1 1 11 11 GLN CB C 13 29.4 . . 1 . . . . 11 GLN CB . 15841 1 131 . 1 1 11 11 GLN CG C 13 35.0 . . 1 . . . . 11 GLN CG . 15841 1 132 . 1 1 11 11 GLN N N 15 118.9 . . 1 . . . . 11 GLN N . 15841 1 133 . 1 1 11 11 GLN NE2 N 15 111.9 . . 1 . . . . 11 GLN NE2 . 15841 1 134 . 1 1 12 12 THR H H 1 8.38 . . 1 . . . . 12 THR H . 15841 1 135 . 1 1 12 12 THR HA H 1 5.33 . . 1 . . . . 12 THR HA . 15841 1 136 . 1 1 12 12 THR HB H 1 3.93 . . 1 . . . . 12 THR HB . 15841 1 137 . 1 1 12 12 THR HG21 H 1 1.13 . . 1 . . . . 12 THR HG2 . 15841 1 138 . 1 1 12 12 THR HG22 H 1 1.13 . . 1 . . . . 12 THR HG2 . 15841 1 139 . 1 1 12 12 THR HG23 H 1 1.13 . . 1 . . . . 12 THR HG2 . 15841 1 140 . 1 1 12 12 THR C C 13 174.1 . . 1 . . . . 12 THR C . 15841 1 141 . 1 1 12 12 THR CA C 13 62.1 . . 1 . . . . 12 THR CA . 15841 1 142 . 1 1 12 12 THR CB C 13 69.6 . . 1 . . . . 12 THR CB . 15841 1 143 . 1 1 12 12 THR CG2 C 13 21.2 . . 1 . . . . 12 THR CG2 . 15841 1 144 . 1 1 12 12 THR N N 15 116.6 . . 1 . . . . 12 THR N . 15841 1 145 . 1 1 13 13 VAL H H 1 9.19 . . 1 . . . . 13 VAL H . 15841 1 146 . 1 1 13 13 VAL HA H 1 5.14 . . 1 . . . . 13 VAL HA . 15841 1 147 . 1 1 13 13 VAL HB H 1 1.98 . . 1 . . . . 13 VAL HB . 15841 1 148 . 1 1 13 13 VAL HG11 H 1 0.75 . . 2 . . . . 13 VAL HG1 . 15841 1 149 . 1 1 13 13 VAL HG12 H 1 0.75 . . 2 . . . . 13 VAL HG1 . 15841 1 150 . 1 1 13 13 VAL HG13 H 1 0.75 . . 2 . . . . 13 VAL HG1 . 15841 1 151 . 1 1 13 13 VAL HG21 H 1 0.64 . . 2 . . . . 13 VAL HG2 . 15841 1 152 . 1 1 13 13 VAL HG22 H 1 0.64 . . 2 . . . . 13 VAL HG2 . 15841 1 153 . 1 1 13 13 VAL HG23 H 1 0.64 . . 2 . . . . 13 VAL HG2 . 15841 1 154 . 1 1 13 13 VAL C C 13 173.2 . . 1 . . . . 13 VAL C . 15841 1 155 . 1 1 13 13 VAL CA C 13 57.3 . . 1 . . . . 13 VAL CA . 15841 1 156 . 1 1 13 13 VAL CB C 13 35.1 . . 1 . . . . 13 VAL CB . 15841 1 157 . 1 1 13 13 VAL CG1 C 13 21.3 . . 1 . . . . 13 VAL CG1 . 15841 1 158 . 1 1 13 13 VAL CG2 C 13 19.0 . . 1 . . . . 13 VAL CG2 . 15841 1 159 . 1 1 13 13 VAL N N 15 117.5 . . 1 . . . . 13 VAL N . 15841 1 160 . 1 1 14 14 LYS H H 1 9.00 . . 1 . . . . 14 LYS H . 15841 1 161 . 1 1 14 14 LYS HA H 1 5.35 . . 1 . . . . 14 LYS HA . 15841 1 162 . 1 1 14 14 LYS HB2 H 1 1.64 . . 2 . . . . 14 LYS HB2 . 15841 1 163 . 1 1 14 14 LYS HB3 H 1 1.64 . . 2 . . . . 14 LYS HB3 . 15841 1 164 . 1 1 14 14 LYS HD2 H 1 1.63 . . 2 . . . . 14 LYS HD2 . 15841 1 165 . 1 1 14 14 LYS HD3 H 1 1.62 . . 2 . . . . 14 LYS HD3 . 15841 1 166 . 1 1 14 14 LYS HE2 H 1 2.92 . . 2 . . . . 14 LYS HE2 . 15841 1 167 . 1 1 14 14 LYS HE3 H 1 2.92 . . 2 . . . . 14 LYS HE3 . 15841 1 168 . 1 1 14 14 LYS HG2 H 1 1.23 . . 2 . . . . 14 LYS HG2 . 15841 1 169 . 1 1 14 14 LYS HG3 H 1 1.23 . . 2 . . . . 14 LYS HG3 . 15841 1 170 . 1 1 14 14 LYS C C 13 176.9 . . 1 . . . . 14 LYS C . 15841 1 171 . 1 1 14 14 LYS CA C 13 53.8 . . 1 . . . . 14 LYS CA . 15841 1 172 . 1 1 14 14 LYS CB C 13 35.5 . . 1 . . . . 14 LYS CB . 15841 1 173 . 1 1 14 14 LYS CD C 13 29.3 . . 1 . . . . 14 LYS CD . 15841 1 174 . 1 1 14 14 LYS CE C 13 41.6 . . 1 . . . . 14 LYS CE . 15841 1 175 . 1 1 14 14 LYS CG C 13 24.5 . . 1 . . . . 14 LYS CG . 15841 1 176 . 1 1 14 14 LYS N N 15 120.3 . . 1 . . . . 14 LYS N . 15841 1 177 . 1 1 15 15 VAL H H 1 8.62 . . 1 . . . . 15 VAL H . 15841 1 178 . 1 1 15 15 VAL HA H 1 3.88 . . 1 . . . . 15 VAL HA . 15841 1 179 . 1 1 15 15 VAL HB H 1 2.26 . . 1 . . . . 15 VAL HB . 15841 1 180 . 1 1 15 15 VAL HG11 H 1 0.84 . . 2 . . . . 15 VAL HG1 . 15841 1 181 . 1 1 15 15 VAL HG12 H 1 0.84 . . 2 . . . . 15 VAL HG1 . 15841 1 182 . 1 1 15 15 VAL HG13 H 1 0.84 . . 2 . . . . 15 VAL HG1 . 15841 1 183 . 1 1 15 15 VAL HG21 H 1 0.64 . . 2 . . . . 15 VAL HG2 . 15841 1 184 . 1 1 15 15 VAL HG22 H 1 0.64 . . 2 . . . . 15 VAL HG2 . 15841 1 185 . 1 1 15 15 VAL HG23 H 1 0.64 . . 2 . . . . 15 VAL HG2 . 15841 1 186 . 1 1 15 15 VAL C C 13 176.7 . . 1 . . . . 15 VAL C . 15841 1 187 . 1 1 15 15 VAL CA C 13 64.3 . . 1 . . . . 15 VAL CA . 15841 1 188 . 1 1 15 15 VAL CB C 13 31.5 . . 1 . . . . 15 VAL CB . 15841 1 189 . 1 1 15 15 VAL CG1 C 13 23.7 . . 1 . . . . 15 VAL CG1 . 15841 1 190 . 1 1 15 15 VAL CG2 C 13 21.2 . . 1 . . . . 15 VAL CG2 . 15841 1 191 . 1 1 15 15 VAL N N 15 123.1 . . 1 . . . . 15 VAL N . 15841 1 192 . 1 1 16 16 VAL H H 1 9.58 . . 1 . . . . 16 VAL H . 15841 1 193 . 1 1 16 16 VAL HA H 1 4.10 . . 1 . . . . 16 VAL HA . 15841 1 194 . 1 1 16 16 VAL HB H 1 1.72 . . 1 . . . . 16 VAL HB . 15841 1 195 . 1 1 16 16 VAL HG11 H 1 0.90 . . 2 . . . . 16 VAL HG1 . 15841 1 196 . 1 1 16 16 VAL HG12 H 1 0.90 . . 2 . . . . 16 VAL HG1 . 15841 1 197 . 1 1 16 16 VAL HG13 H 1 0.90 . . 2 . . . . 16 VAL HG1 . 15841 1 198 . 1 1 16 16 VAL HG21 H 1 0.90 . . 2 . . . . 16 VAL HG2 . 15841 1 199 . 1 1 16 16 VAL HG22 H 1 0.90 . . 2 . . . . 16 VAL HG2 . 15841 1 200 . 1 1 16 16 VAL HG23 H 1 0.90 . . 2 . . . . 16 VAL HG2 . 15841 1 201 . 1 1 16 16 VAL C C 13 175.3 . . 1 . . . . 16 VAL C . 15841 1 202 . 1 1 16 16 VAL CA C 13 63.4 . . 1 . . . . 16 VAL CA . 15841 1 203 . 1 1 16 16 VAL CB C 13 33.7 . . 1 . . . . 16 VAL CB . 15841 1 204 . 1 1 16 16 VAL CG1 C 13 -7.4 . . 1 . . . . 16 VAL CG1 . 15841 1 205 . 1 1 16 16 VAL CG2 C 13 20.6 . . 1 . . . . 16 VAL CG2 . 15841 1 206 . 1 1 16 16 VAL N N 15 130.1 . . 1 . . . . 16 VAL N . 15841 1 207 . 1 1 17 17 LYS H H 1 7.49 . . 1 . . . . 17 LYS H . 15841 1 208 . 1 1 17 17 LYS HA H 1 4.38 . . 1 . . . . 17 LYS HA . 15841 1 209 . 1 1 17 17 LYS HB2 H 1 1.83 . . 2 . . . . 17 LYS HB2 . 15841 1 210 . 1 1 17 17 LYS HB3 H 1 1.71 . . 2 . . . . 17 LYS HB3 . 15841 1 211 . 1 1 17 17 LYS HD2 H 1 1.55 . . 2 . . . . 17 LYS HD2 . 15841 1 212 . 1 1 17 17 LYS HD3 H 1 1.47 . . 2 . . . . 17 LYS HD3 . 15841 1 213 . 1 1 17 17 LYS HE2 H 1 2.76 . . 2 . . . . 17 LYS HE2 . 15841 1 214 . 1 1 17 17 LYS HE3 H 1 2.68 . . 2 . . . . 17 LYS HE3 . 15841 1 215 . 1 1 17 17 LYS HG2 H 1 0.85 . . 2 . . . . 17 LYS HG2 . 15841 1 216 . 1 1 17 17 LYS HG3 H 1 1.10 . . 2 . . . . 17 LYS HG3 . 15841 1 217 . 1 1 17 17 LYS C C 13 172.9 . . 1 . . . . 17 LYS C . 15841 1 218 . 1 1 17 17 LYS CA C 13 56.2 . . 1 . . . . 17 LYS CA . 15841 1 219 . 1 1 17 17 LYS CB C 13 35.5 . . 1 . . . . 17 LYS CB . 15841 1 220 . 1 1 17 17 LYS CD C 13 28.9 . . 1 . . . . 17 LYS CD . 15841 1 221 . 1 1 17 17 LYS CE C 13 41.7 . . 1 . . . . 17 LYS CE . 15841 1 222 . 1 1 17 17 LYS CG C 13 24.5 . . 1 . . . . 17 LYS CG . 15841 1 223 . 1 1 17 17 LYS N N 15 116.8 . . 1 . . . . 17 LYS N . 15841 1 224 . 1 1 18 18 LEU H H 1 8.52 . . 1 . . . . 18 LEU H . 15841 1 225 . 1 1 18 18 LEU HA H 1 4.89 . . 1 . . . . 18 LEU HA . 15841 1 226 . 1 1 18 18 LEU HB2 H 1 1.79 . . 2 . . . . 18 LEU HB2 . 15841 1 227 . 1 1 18 18 LEU HB3 H 1 1.39 . . 2 . . . . 18 LEU HB3 . 15841 1 228 . 1 1 18 18 LEU HD11 H 1 0.94 . . 2 . . . . 18 LEU HD1 . 15841 1 229 . 1 1 18 18 LEU HD12 H 1 0.94 . . 2 . . . . 18 LEU HD1 . 15841 1 230 . 1 1 18 18 LEU HD13 H 1 0.94 . . 2 . . . . 18 LEU HD1 . 15841 1 231 . 1 1 18 18 LEU HD21 H 1 0.83 . . 2 . . . . 18 LEU HD2 . 15841 1 232 . 1 1 18 18 LEU HD22 H 1 0.83 . . 2 . . . . 18 LEU HD2 . 15841 1 233 . 1 1 18 18 LEU HD23 H 1 0.83 . . 2 . . . . 18 LEU HD2 . 15841 1 234 . 1 1 18 18 LEU HG H 1 1.63 . . 1 . . . . 18 LEU HG . 15841 1 235 . 1 1 18 18 LEU C C 13 175.6 . . 1 . . . . 18 LEU C . 15841 1 236 . 1 1 18 18 LEU CA C 13 53.8 . . 1 . . . . 18 LEU CA . 15841 1 237 . 1 1 18 18 LEU CB C 13 42.5 . . 1 . . . . 18 LEU CB . 15841 1 238 . 1 1 18 18 LEU CD1 C 13 25.5 . . 1 . . . . 18 LEU CD1 . 15841 1 239 . 1 1 18 18 LEU CD2 C 13 24.9 . . 1 . . . . 18 LEU CD2 . 15841 1 240 . 1 1 18 18 LEU CG C 13 27.6 . . 1 . . . . 18 LEU CG . 15841 1 241 . 1 1 18 18 LEU N N 15 124.1 . . 1 . . . . 18 LEU N . 15841 1 242 . 1 1 19 19 HIS H H 1 8.79 . . 1 . . . . 19 HIS H . 15841 1 243 . 1 1 19 19 HIS HA H 1 4.62 . . 1 . . . . 19 HIS HA . 15841 1 244 . 1 1 19 19 HIS HB2 H 1 3.20 . . 2 . . . . 19 HIS HB2 . 15841 1 245 . 1 1 19 19 HIS HB3 H 1 3.12 . . 2 . . . . 19 HIS HB3 . 15841 1 246 . 1 1 19 19 HIS HD2 H 1 6.84 . . 1 . . . . 19 HIS HD2 . 15841 1 247 . 1 1 19 19 HIS HE1 H 1 8.05 . . 1 . . . . 19 HIS HE1 . 15841 1 248 . 1 1 19 19 HIS C C 13 173.0 . . 1 . . . . 19 HIS C . 15841 1 249 . 1 1 19 19 HIS CA C 13 55.5 . . 1 . . . . 19 HIS CA . 15841 1 250 . 1 1 19 19 HIS CB C 13 32.8 . . 1 . . . . 19 HIS CB . 15841 1 251 . 1 1 19 19 HIS CD2 C 13 117.7 . . 1 . . . . 19 HIS CD2 . 15841 1 252 . 1 1 19 19 HIS CE1 C 13 137.4 . . 1 . . . . 19 HIS CE1 . 15841 1 253 . 1 1 19 19 HIS N N 15 122.7 . . 1 . . . . 19 HIS N . 15841 1 254 . 1 1 20 20 GLY H H 1 8.10 . . 1 . . . . 20 GLY H . 15841 1 255 . 1 1 20 20 GLY HA2 H 1 3.92 . . 2 . . . . 20 GLY HA2 . 15841 1 256 . 1 1 20 20 GLY HA3 H 1 4.51 . . 2 . . . . 20 GLY HA3 . 15841 1 257 . 1 1 20 20 GLY C C 13 174.5 . . 1 . . . . 20 GLY C . 15841 1 258 . 1 1 20 20 GLY CA C 13 44.2 . . 1 . . . . 20 GLY CA . 15841 1 259 . 1 1 20 20 GLY N N 15 103.4 . . 1 . . . . 20 GLY N . 15841 1 260 . 1 1 21 21 THR H H 1 7.75 . . 1 . . . . 21 THR H . 15841 1 261 . 1 1 21 21 THR HA H 1 4.45 . . 1 . . . . 21 THR HA . 15841 1 262 . 1 1 21 21 THR HB H 1 4.56 . . 1 . . . . 21 THR HB . 15841 1 263 . 1 1 21 21 THR HG21 H 1 1.34 . . 1 . . . . 21 THR HG2 . 15841 1 264 . 1 1 21 21 THR HG22 H 1 1.34 . . 1 . . . . 21 THR HG2 . 15841 1 265 . 1 1 21 21 THR HG23 H 1 1.34 . . 1 . . . . 21 THR HG2 . 15841 1 266 . 1 1 21 21 THR C C 13 175.4 . . 1 . . . . 21 THR C . 15841 1 267 . 1 1 21 21 THR CA C 13 60.8 . . 1 . . . . 21 THR CA . 15841 1 268 . 1 1 21 21 THR CB C 13 70.9 . . 1 . . . . 21 THR CB . 15841 1 269 . 1 1 21 21 THR CG2 C 13 21.2 . . 1 . . . . 21 THR CG2 . 15841 1 270 . 1 1 21 21 THR N N 15 108.6 . . 1 . . . . 21 THR N . 15841 1 271 . 1 1 22 22 GLY H H 1 8.78 . . 1 . . . . 22 GLY H . 15841 1 272 . 1 1 22 22 GLY HA2 H 1 3.75 . . 2 . . . . 22 GLY HA2 . 15841 1 273 . 1 1 22 22 GLY HA3 H 1 4.03 . . 2 . . . . 22 GLY HA3 . 15841 1 274 . 1 1 22 22 GLY C C 13 176.2 . . 1 . . . . 22 GLY C . 15841 1 275 . 1 1 22 22 GLY CA C 13 47.3 . . 1 . . . . 22 GLY CA . 15841 1 276 . 1 1 22 22 GLY N N 15 108.6 . . 1 . . . . 22 GLY N . 15841 1 277 . 1 1 23 23 ALA H H 1 8.48 . . 1 . . . . 23 ALA H . 15841 1 278 . 1 1 23 23 ALA HA H 1 4.08 . . 1 . . . . 23 ALA HA . 15841 1 279 . 1 1 23 23 ALA HB1 H 1 1.42 . . 1 . . . . 23 ALA HB . 15841 1 280 . 1 1 23 23 ALA HB2 H 1 1.42 . . 1 . . . . 23 ALA HB . 15841 1 281 . 1 1 23 23 ALA HB3 H 1 1.42 . . 1 . . . . 23 ALA HB . 15841 1 282 . 1 1 23 23 ALA C C 13 180.1 . . 1 . . . . 23 ALA C . 15841 1 283 . 1 1 23 23 ALA CA C 13 54.7 . . 1 . . . . 23 ALA CA . 15841 1 284 . 1 1 23 23 ALA CB C 13 18.4 . . 1 . . . . 23 ALA CB . 15841 1 285 . 1 1 23 23 ALA N N 15 123.3 . . 1 . . . . 23 ALA N . 15841 1 286 . 1 1 24 24 LEU H H 1 7.83 . . 1 . . . . 24 LEU H . 15841 1 287 . 1 1 24 24 LEU HA H 1 4.12 . . 1 . . . . 24 LEU HA . 15841 1 288 . 1 1 24 24 LEU HB2 H 1 1.86 . . 2 . . . . 24 LEU HB2 . 15841 1 289 . 1 1 24 24 LEU HB3 H 1 1.69 . . 2 . . . . 24 LEU HB3 . 15841 1 290 . 1 1 24 24 LEU HD11 H 1 0.97 . . 2 . . . . 24 LEU HD1 . 15841 1 291 . 1 1 24 24 LEU HD12 H 1 0.97 . . 2 . . . . 24 LEU HD1 . 15841 1 292 . 1 1 24 24 LEU HD13 H 1 0.97 . . 2 . . . . 24 LEU HD1 . 15841 1 293 . 1 1 24 24 LEU HD21 H 1 0.98 . . 2 . . . . 24 LEU HD2 . 15841 1 294 . 1 1 24 24 LEU HD22 H 1 0.98 . . 2 . . . . 24 LEU HD2 . 15841 1 295 . 1 1 24 24 LEU HD23 H 1 0.98 . . 2 . . . . 24 LEU HD2 . 15841 1 296 . 1 1 24 24 LEU HG H 1 1.69 . . 1 . . . . 24 LEU HG . 15841 1 297 . 1 1 24 24 LEU C C 13 178.6 . . 1 . . . . 24 LEU C . 15841 1 298 . 1 1 24 24 LEU CA C 13 57.8 . . 1 . . . . 24 LEU CA . 15841 1 299 . 1 1 24 24 LEU CB C 13 41.1 . . 1 . . . . 24 LEU CB . 15841 1 300 . 1 1 24 24 LEU CD1 C 13 23.6 . . 1 . . . . 24 LEU CD1 . 15841 1 301 . 1 1 24 24 LEU CD2 C 13 23.6 . . 1 . . . . 24 LEU CD2 . 15841 1 302 . 1 1 24 24 LEU CG C 13 27.2 . . 1 . . . . 24 LEU CG . 15841 1 303 . 1 1 24 24 LEU N N 15 120.4 . . 1 . . . . 24 LEU N . 15841 1 304 . 1 1 25 25 LYS H H 1 7.96 . . 1 . . . . 25 LYS H . 15841 1 305 . 1 1 25 25 LYS HA H 1 3.75 . . 1 . . . . 25 LYS HA . 15841 1 306 . 1 1 25 25 LYS HB2 H 1 1.69 . . 2 . . . . 25 LYS HB2 . 15841 1 307 . 1 1 25 25 LYS HB3 H 1 1.65 . . 2 . . . . 25 LYS HB3 . 15841 1 308 . 1 1 25 25 LYS HD2 H 1 1.48 . . 2 . . . . 25 LYS HD2 . 15841 1 309 . 1 1 25 25 LYS HD3 H 1 1.48 . . 2 . . . . 25 LYS HD3 . 15841 1 310 . 1 1 25 25 LYS HE2 H 1 2.83 . . 2 . . . . 25 LYS HE2 . 15841 1 311 . 1 1 25 25 LYS HE3 H 1 2.74 . . 2 . . . . 25 LYS HE3 . 15841 1 312 . 1 1 25 25 LYS HG2 H 1 1.42 . . 2 . . . . 25 LYS HG2 . 15841 1 313 . 1 1 25 25 LYS HG3 H 1 1.16 . . 2 . . . . 25 LYS HG3 . 15841 1 314 . 1 1 25 25 LYS C C 13 178.3 . . 1 . . . . 25 LYS C . 15841 1 315 . 1 1 25 25 LYS CA C 13 60.4 . . 1 . . . . 25 LYS CA . 15841 1 316 . 1 1 25 25 LYS CB C 13 32.0 . . 1 . . . . 25 LYS CB . 15841 1 317 . 1 1 25 25 LYS CD C 13 29.8 . . 1 . . . . 25 LYS CD . 15841 1 318 . 1 1 25 25 LYS CE C 13 41.6 . . 1 . . . . 25 LYS CE . 15841 1 319 . 1 1 25 25 LYS CG C 13 25.8 . . 1 . . . . 25 LYS CG . 15841 1 320 . 1 1 25 25 LYS N N 15 118.0 . . 1 . . . . 25 LYS N . 15841 1 321 . 1 1 26 26 ARG H H 1 7.89 . . 1 . . . . 26 ARG H . 15841 1 322 . 1 1 26 26 ARG HA H 1 3.97 . . 1 . . . . 26 ARG HA . 15841 1 323 . 1 1 26 26 ARG HB2 H 1 1.95 . . 2 . . . . 26 ARG HB2 . 15841 1 324 . 1 1 26 26 ARG HB3 H 1 1.89 . . 2 . . . . 26 ARG HB3 . 15841 1 325 . 1 1 26 26 ARG HD2 H 1 3.19 . . 2 . . . . 26 ARG HD2 . 15841 1 326 . 1 1 26 26 ARG HD3 H 1 3.26 . . 2 . . . . 26 ARG HD3 . 15841 1 327 . 1 1 26 26 ARG HG2 H 1 1.71 . . 2 . . . . 26 ARG HG2 . 15841 1 328 . 1 1 26 26 ARG HG3 H 1 1.67 . . 2 . . . . 26 ARG HG3 . 15841 1 329 . 1 1 26 26 ARG C C 13 177.7 . . 1 . . . . 26 ARG C . 15841 1 330 . 1 1 26 26 ARG CA C 13 58.7 . . 1 . . . . 26 ARG CA . 15841 1 331 . 1 1 26 26 ARG CB C 13 30.0 . . 1 . . . . 26 ARG CB . 15841 1 332 . 1 1 26 26 ARG CD C 13 42.9 . . 1 . . . . 26 ARG CD . 15841 1 333 . 1 1 26 26 ARG CG C 13 26.7 . . 1 . . . . 26 ARG CG . 15841 1 334 . 1 1 26 26 ARG N N 15 117.1 . . 1 . . . . 26 ARG N . 15841 1 335 . 1 1 27 27 ARG H H 1 7.66 . . 1 . . . . 27 ARG H . 15841 1 336 . 1 1 27 27 ARG HA H 1 4.10 . . 1 . . . . 27 ARG HA . 15841 1 337 . 1 1 27 27 ARG HB2 H 1 2.01 . . 2 . . . . 27 ARG HB2 . 15841 1 338 . 1 1 27 27 ARG HB3 H 1 2.01 . . 2 . . . . 27 ARG HB3 . 15841 1 339 . 1 1 27 27 ARG HD2 H 1 3.23 . . 2 . . . . 27 ARG HD2 . 15841 1 340 . 1 1 27 27 ARG HD3 H 1 3.23 . . 2 . . . . 27 ARG HD3 . 15841 1 341 . 1 1 27 27 ARG HG2 H 1 1.68 . . 2 . . . . 27 ARG HG2 . 15841 1 342 . 1 1 27 27 ARG HG3 H 1 1.81 . . 2 . . . . 27 ARG HG3 . 15841 1 343 . 1 1 27 27 ARG C C 13 179.0 . . 1 . . . . 27 ARG C . 15841 1 344 . 1 1 27 27 ARG CA C 13 59.1 . . 1 . . . . 27 ARG CA . 15841 1 345 . 1 1 27 27 ARG CB C 13 29.8 . . 1 . . . . 27 ARG CB . 15841 1 346 . 1 1 27 27 ARG CD C 13 43.4 . . 1 . . . . 27 ARG CD . 15841 1 347 . 1 1 27 27 ARG CG C 13 27.6 . . 1 . . . . 27 ARG CG . 15841 1 348 . 1 1 27 27 ARG N N 15 118.6 . . 1 . . . . 27 ARG N . 15841 1 349 . 1 1 28 28 ILE H H 1 7.97 . . 1 . . . . 28 ILE H . 15841 1 350 . 1 1 28 28 ILE HA H 1 3.74 . . 1 . . . . 28 ILE HA . 15841 1 351 . 1 1 28 28 ILE HB H 1 2.01 . . 1 . . . . 28 ILE HB . 15841 1 352 . 1 1 28 28 ILE HD11 H 1 0.80 . . 1 . . . . 28 ILE HD1 . 15841 1 353 . 1 1 28 28 ILE HD12 H 1 0.80 . . 1 . . . . 28 ILE HD1 . 15841 1 354 . 1 1 28 28 ILE HD13 H 1 0.80 . . 1 . . . . 28 ILE HD1 . 15841 1 355 . 1 1 28 28 ILE HG12 H 1 1.02 . . 2 . . . . 28 ILE HG12 . 15841 1 356 . 1 1 28 28 ILE HG13 H 1 1.78 . . 2 . . . . 28 ILE HG13 . 15841 1 357 . 1 1 28 28 ILE HG21 H 1 0.92 . . 1 . . . . 28 ILE HG2 . 15841 1 358 . 1 1 28 28 ILE HG22 H 1 0.92 . . 1 . . . . 28 ILE HG2 . 15841 1 359 . 1 1 28 28 ILE HG23 H 1 0.92 . . 1 . . . . 28 ILE HG2 . 15841 1 360 . 1 1 28 28 ILE C C 13 178.7 . . 1 . . . . 28 ILE C . 15841 1 361 . 1 1 28 28 ILE CA C 13 64.8 . . 1 . . . . 28 ILE CA . 15841 1 362 . 1 1 28 28 ILE CB C 13 38.1 . . 1 . . . . 28 ILE CB . 15841 1 363 . 1 1 28 28 ILE CD1 C 13 12.7 . . 1 . . . . 28 ILE CD1 . 15841 1 364 . 1 1 28 28 ILE CG1 C 13 28.9 . . 1 . . . . 28 ILE CG1 . 15841 1 365 . 1 1 28 28 ILE CG2 C 13 19.2 . . 1 . . . . 28 ILE CG2 . 15841 1 366 . 1 1 28 28 ILE N N 15 119.4 . . 1 . . . . 28 ILE N . 15841 1 367 . 1 1 29 29 MET H H 1 8.42 . . 1 . . . . 29 MET H . 15841 1 368 . 1 1 29 29 MET HA H 1 4.37 . . 1 . . . . 29 MET HA . 15841 1 369 . 1 1 29 29 MET HB2 H 1 2.11 . . 2 . . . . 29 MET HB2 . 15841 1 370 . 1 1 29 29 MET HB3 H 1 2.04 . . 2 . . . . 29 MET HB3 . 15841 1 371 . 1 1 29 29 MET HE1 H 1 2.05 . . 1 . . . . 29 MET HE . 15841 1 372 . 1 1 29 29 MET HE2 H 1 2.05 . . 1 . . . . 29 MET HE . 15841 1 373 . 1 1 29 29 MET HE3 H 1 2.05 . . 1 . . . . 29 MET HE . 15841 1 374 . 1 1 29 29 MET HG2 H 1 2.77 . . 2 . . . . 29 MET HG2 . 15841 1 375 . 1 1 29 29 MET HG3 H 1 2.53 . . 2 . . . . 29 MET HG3 . 15841 1 376 . 1 1 29 29 MET C C 13 181.4 . . 1 . . . . 29 MET C . 15841 1 377 . 1 1 29 29 MET CA C 13 59.1 . . 1 . . . . 29 MET CA . 15841 1 378 . 1 1 29 29 MET CB C 13 32.8 . . 1 . . . . 29 MET CB . 15841 1 379 . 1 1 29 29 MET CE C 13 18.0 . . 1 . . . . 29 MET CE . 15841 1 380 . 1 1 29 29 MET CG C 13 32.4 . . 1 . . . . 29 MET CG . 15841 1 381 . 1 1 29 29 MET N N 15 119.9 . . 1 . . . . 29 MET N . 15841 1 382 . 1 1 30 30 ASP H H 1 8.65 . . 1 . . . . 30 ASP H . 15841 1 383 . 1 1 30 30 ASP HA H 1 4.44 . . 1 . . . . 30 ASP HA . 15841 1 384 . 1 1 30 30 ASP HB2 H 1 2.88 . . 2 . . . . 30 ASP HB2 . 15841 1 385 . 1 1 30 30 ASP HB3 H 1 2.67 . . 2 . . . . 30 ASP HB3 . 15841 1 386 . 1 1 30 30 ASP C C 13 178.2 . . 1 . . . . 30 ASP C . 15841 1 387 . 1 1 30 30 ASP CA C 13 56.7 . . 1 . . . . 30 ASP CA . 15841 1 388 . 1 1 30 30 ASP CB C 13 39.9 . . 1 . . . . 30 ASP CB . 15841 1 389 . 1 1 30 30 ASP N N 15 121.8 . . 1 . . . . 30 ASP N . 15841 1 390 . 1 1 31 31 MET H H 1 7.57 . . 1 . . . . 31 MET H . 15841 1 391 . 1 1 31 31 MET HA H 1 4.29 . . 1 . . . . 31 MET HA . 15841 1 392 . 1 1 31 31 MET HB2 H 1 2.34 . . 2 . . . . 31 MET HB2 . 15841 1 393 . 1 1 31 31 MET HB3 H 1 2.25 . . 2 . . . . 31 MET HB3 . 15841 1 394 . 1 1 31 31 MET HE1 H 1 2.08 . . 1 . . . . 31 MET HE . 15841 1 395 . 1 1 31 31 MET HE2 H 1 2.08 . . 1 . . . . 31 MET HE . 15841 1 396 . 1 1 31 31 MET HE3 H 1 2.08 . . 1 . . . . 31 MET HE . 15841 1 397 . 1 1 31 31 MET HG2 H 1 2.92 . . 2 . . . . 31 MET HG2 . 15841 1 398 . 1 1 31 31 MET HG3 H 1 2.66 . . 2 . . . . 31 MET HG3 . 15841 1 399 . 1 1 31 31 MET C C 13 175.7 . . 1 . . . . 31 MET C . 15841 1 400 . 1 1 31 31 MET CA C 13 56.8 . . 1 . . . . 31 MET CA . 15841 1 401 . 1 1 31 31 MET CB C 13 33.3 . . 1 . . . . 31 MET CB . 15841 1 402 . 1 1 31 31 MET CE C 13 17.5 . . 1 . . . . 31 MET CE . 15841 1 403 . 1 1 31 31 MET CG C 13 32.4 . . 1 . . . . 31 MET CG . 15841 1 404 . 1 1 31 31 MET N N 15 117.5 . . 1 . . . . 31 MET N . 15841 1 405 . 1 1 32 32 GLY H H 1 7.99 . . 1 . . . . 32 GLY H . 15841 1 406 . 1 1 32 32 GLY HA2 H 1 4.27 . . 2 . . . . 32 GLY HA2 . 15841 1 407 . 1 1 32 32 GLY HA3 H 1 3.63 . . 2 . . . . 32 GLY HA3 . 15841 1 408 . 1 1 32 32 GLY C C 13 173.6 . . 1 . . . . 32 GLY C . 15841 1 409 . 1 1 32 32 GLY CA C 13 44.2 . . 1 . . . . 32 GLY CA . 15841 1 410 . 1 1 32 32 GLY N N 15 104.4 . . 1 . . . . 32 GLY N . 15841 1 411 . 1 1 33 33 ILE H H 1 7.14 . . 1 . . . . 33 ILE H . 15841 1 412 . 1 1 33 33 ILE HA H 1 4.12 . . 1 . . . . 33 ILE HA . 15841 1 413 . 1 1 33 33 ILE HB H 1 1.84 . . 1 . . . . 33 ILE HB . 15841 1 414 . 1 1 33 33 ILE HD11 H 1 0.92 . . 1 . . . . 33 ILE HD1 . 15841 1 415 . 1 1 33 33 ILE HD12 H 1 0.92 . . 1 . . . . 33 ILE HD1 . 15841 1 416 . 1 1 33 33 ILE HD13 H 1 0.92 . . 1 . . . . 33 ILE HD1 . 15841 1 417 . 1 1 33 33 ILE HG12 H 1 1.43 . . 2 . . . . 33 ILE HG12 . 15841 1 418 . 1 1 33 33 ILE HG13 H 1 0.74 . . 2 . . . . 33 ILE HG13 . 15841 1 419 . 1 1 33 33 ILE HG21 H 1 0.68 . . 1 . . . . 33 ILE HG2 . 15841 1 420 . 1 1 33 33 ILE HG22 H 1 0.68 . . 1 . . . . 33 ILE HG2 . 15841 1 421 . 1 1 33 33 ILE HG23 H 1 0.68 . . 1 . . . . 33 ILE HG2 . 15841 1 422 . 1 1 33 33 ILE C C 13 172.4 . . 1 . . . . 33 ILE C . 15841 1 423 . 1 1 33 33 ILE CA C 13 61.7 . . 1 . . . . 33 ILE CA . 15841 1 424 . 1 1 33 33 ILE CB C 13 37.2 . . 1 . . . . 33 ILE CB . 15841 1 425 . 1 1 33 33 ILE CD1 C 13 20.6 . . 1 . . . . 33 ILE CD1 . 15841 1 426 . 1 1 33 33 ILE CG1 C 13 27.6 . . 1 . . . . 33 ILE CG1 . 15841 1 427 . 1 1 33 33 ILE CG2 C 13 18.0 . . 1 . . . . 33 ILE CG2 . 15841 1 428 . 1 1 33 33 ILE N N 15 120.8 . . 1 . . . . 33 ILE N . 15841 1 429 . 1 1 34 34 THR H H 1 6.93 . . 1 . . . . 34 THR H . 15841 1 430 . 1 1 34 34 THR HA H 1 4.59 . . 1 . . . . 34 THR HA . 15841 1 431 . 1 1 34 34 THR HB H 1 4.29 . . 1 . . . . 34 THR HB . 15841 1 432 . 1 1 34 34 THR HG21 H 1 1.07 . . 1 . . . . 34 THR HG2 . 15841 1 433 . 1 1 34 34 THR HG22 H 1 1.07 . . 1 . . . . 34 THR HG2 . 15841 1 434 . 1 1 34 34 THR HG23 H 1 1.07 . . 1 . . . . 34 THR HG2 . 15841 1 435 . 1 1 34 34 THR C C 13 174.4 . . 1 . . . . 34 THR C . 15841 1 436 . 1 1 34 34 THR CA C 13 58.3 . . 1 . . . . 34 THR CA . 15841 1 437 . 1 1 34 34 THR CB C 13 72.2 . . 1 . . . . 34 THR CB . 15841 1 438 . 1 1 34 34 THR CG2 C 13 21.2 . . 1 . . . . 34 THR CG2 . 15841 1 439 . 1 1 34 34 THR N N 15 113.3 . . 1 . . . . 34 THR N . 15841 1 440 . 1 1 35 35 ARG H H 1 8.76 . . 1 . . . . 35 ARG H . 15841 1 441 . 1 1 35 35 ARG HA H 1 3.52 . . 1 . . . . 35 ARG HA . 15841 1 442 . 1 1 35 35 ARG HB2 H 1 1.79 . . 2 . . . . 35 ARG HB2 . 15841 1 443 . 1 1 35 35 ARG HB3 H 1 1.73 . . 2 . . . . 35 ARG HB3 . 15841 1 444 . 1 1 35 35 ARG HD2 H 1 3.24 . . 2 . . . . 35 ARG HD2 . 15841 1 445 . 1 1 35 35 ARG HD3 H 1 3.34 . . 2 . . . . 35 ARG HD3 . 15841 1 446 . 1 1 35 35 ARG HG2 H 1 1.43 . . 2 . . . . 35 ARG HG2 . 15841 1 447 . 1 1 35 35 ARG HG3 H 1 1.68 . . 2 . . . . 35 ARG HG3 . 15841 1 448 . 1 1 35 35 ARG C C 13 176.8 . . 1 . . . . 35 ARG C . 15841 1 449 . 1 1 35 35 ARG CA C 13 58.7 . . 1 . . . . 35 ARG CA . 15841 1 450 . 1 1 35 35 ARG CB C 13 29.7 . . 1 . . . . 35 ARG CB . 15841 1 451 . 1 1 35 35 ARG CD C 13 43.4 . . 1 . . . . 35 ARG CD . 15841 1 452 . 1 1 35 35 ARG CG C 13 27.0 . . 1 . . . . 35 ARG CG . 15841 1 453 . 1 1 35 35 ARG N N 15 121.3 . . 1 . . . . 35 ARG N . 15841 1 454 . 1 1 36 36 GLY H H 1 8.95 . . 1 . . . . 36 GLY H . 15841 1 455 . 1 1 36 36 GLY HA2 H 1 4.46 . . 2 . . . . 36 GLY HA2 . 15841 1 456 . 1 1 36 36 GLY HA3 H 1 3.56 . . 2 . . . . 36 GLY HA3 . 15841 1 457 . 1 1 36 36 GLY C C 13 173.9 . . 1 . . . . 36 GLY C . 15841 1 458 . 1 1 36 36 GLY CA C 13 44.7 . . 1 . . . . 36 GLY CA . 15841 1 459 . 1 1 36 36 GLY N N 15 114.2 . . 1 . . . . 36 GLY N . 15841 1 460 . 1 1 37 37 CYS H H 1 7.95 . . 1 . . . . 37 CYS H . 15841 1 461 . 1 1 37 37 CYS HA H 1 4.55 . . 1 . . . . 37 CYS HA . 15841 1 462 . 1 1 37 37 CYS HB2 H 1 3.14 . . 2 . . . . 37 CYS HB2 . 15841 1 463 . 1 1 37 37 CYS HB3 H 1 2.99 . . 2 . . . . 37 CYS HB3 . 15841 1 464 . 1 1 37 37 CYS C C 13 172.9 . . 1 . . . . 37 CYS C . 15841 1 465 . 1 1 37 37 CYS CA C 13 59.2 . . 1 . . . . 37 CYS CA . 15841 1 466 . 1 1 37 37 CYS CB C 13 28.0 . . 1 . . . . 37 CYS CB . 15841 1 467 . 1 1 37 37 CYS N N 15 118.4 . . 1 . . . . 37 CYS N . 15841 1 468 . 1 1 38 38 GLU H H 1 8.54 . . 1 . . . . 38 GLU H . 15841 1 469 . 1 1 38 38 GLU HA H 1 5.16 . . 1 . . . . 38 GLU HA . 15841 1 470 . 1 1 38 38 GLU HB2 H 1 2.02 . . 2 . . . . 38 GLU HB2 . 15841 1 471 . 1 1 38 38 GLU HB3 H 1 1.91 . . 2 . . . . 38 GLU HB3 . 15841 1 472 . 1 1 38 38 GLU HG2 H 1 2.31 . . 2 . . . . 38 GLU HG2 . 15841 1 473 . 1 1 38 38 GLU HG3 H 1 2.06 . . 2 . . . . 38 GLU HG3 . 15841 1 474 . 1 1 38 38 GLU C C 13 176.0 . . 1 . . . . 38 GLU C . 15841 1 475 . 1 1 38 38 GLU CA C 13 55.3 . . 1 . . . . 38 GLU CA . 15841 1 476 . 1 1 38 38 GLU CB C 13 31.5 . . 1 . . . . 38 GLU CB . 15841 1 477 . 1 1 38 38 GLU CG C 13 37.2 . . 1 . . . . 38 GLU CG . 15841 1 478 . 1 1 38 38 GLU N N 15 123.1 . . 1 . . . . 38 GLU N . 15841 1 479 . 1 1 39 39 ILE H H 1 9.36 . . 1 . . . . 39 ILE H . 15841 1 480 . 1 1 39 39 ILE HA H 1 4.60 . . 1 . . . . 39 ILE HA . 15841 1 481 . 1 1 39 39 ILE HB H 1 1.52 . . 1 . . . . 39 ILE HB . 15841 1 482 . 1 1 39 39 ILE HD11 H 1 0.57 . . 1 . . . . 39 ILE HD1 . 15841 1 483 . 1 1 39 39 ILE HD12 H 1 0.57 . . 1 . . . . 39 ILE HD1 . 15841 1 484 . 1 1 39 39 ILE HD13 H 1 0.57 . . 1 . . . . 39 ILE HD1 . 15841 1 485 . 1 1 39 39 ILE HG12 H 1 1.58 . . 2 . . . . 39 ILE HG12 . 15841 1 486 . 1 1 39 39 ILE HG13 H 1 0.89 . . 2 . . . . 39 ILE HG13 . 15841 1 487 . 1 1 39 39 ILE HG21 H 1 0.76 . . 1 . . . . 39 ILE HG2 . 15841 1 488 . 1 1 39 39 ILE HG22 H 1 0.76 . . 1 . . . . 39 ILE HG2 . 15841 1 489 . 1 1 39 39 ILE HG23 H 1 0.76 . . 1 . . . . 39 ILE HG2 . 15841 1 490 . 1 1 39 39 ILE C C 13 173.7 . . 1 . . . . 39 ILE C . 15841 1 491 . 1 1 39 39 ILE CA C 13 60.5 . . 1 . . . . 39 ILE CA . 15841 1 492 . 1 1 39 39 ILE CB C 13 41.3 . . 1 . . . . 39 ILE CB . 15841 1 493 . 1 1 39 39 ILE CD1 C 13 14.4 . . 1 . . . . 39 ILE CD1 . 15841 1 494 . 1 1 39 39 ILE CG1 C 13 27.0 . . 1 . . . . 39 ILE CG1 . 15841 1 495 . 1 1 39 39 ILE CG2 C 13 18.8 . . 1 . . . . 39 ILE CG2 . 15841 1 496 . 1 1 39 39 ILE N N 15 124.0 . . 1 . . . . 39 ILE N . 15841 1 497 . 1 1 40 40 TYR H H 1 8.54 . . 1 . . . . 40 TYR H . 15841 1 498 . 1 1 40 40 TYR HA H 1 5.34 . . 1 . . . . 40 TYR HA . 15841 1 499 . 1 1 40 40 TYR HB2 H 1 3.12 . . 2 . . . . 40 TYR HB2 . 15841 1 500 . 1 1 40 40 TYR HB3 H 1 2.80 . . 2 . . . . 40 TYR HB3 . 15841 1 501 . 1 1 40 40 TYR HD1 H 1 6.97 . . 3 . . . . 40 TYR HD1 . 15841 1 502 . 1 1 40 40 TYR HD2 H 1 6.97 . . 3 . . . . 40 TYR HD2 . 15841 1 503 . 1 1 40 40 TYR HE1 H 1 6.59 . . 3 . . . . 40 TYR HE1 . 15841 1 504 . 1 1 40 40 TYR HE2 H 1 6.59 . . 3 . . . . 40 TYR HE2 . 15841 1 505 . 1 1 40 40 TYR C C 13 175.0 . . 1 . . . . 40 TYR C . 15841 1 506 . 1 1 40 40 TYR CA C 13 55.9 . . 1 . . . . 40 TYR CA . 15841 1 507 . 1 1 40 40 TYR CB C 13 40.9 . . 1 . . . . 40 TYR CB . 15841 1 508 . 1 1 40 40 TYR CD1 C 13 132.8 . . 1 . . . . 40 TYR CD1 . 15841 1 509 . 1 1 40 40 TYR CE1 C 13 117.8 . . 1 . . . . 40 TYR CE1 . 15841 1 510 . 1 1 40 40 TYR N N 15 127.0 . . 1 . . . . 40 TYR N . 15841 1 511 . 1 1 41 41 ILE H H 1 7.85 . . 1 . . . . 41 ILE H . 15841 1 512 . 1 1 41 41 ILE HA H 1 3.91 . . 1 . . . . 41 ILE HA . 15841 1 513 . 1 1 41 41 ILE HB H 1 1.98 . . 1 . . . . 41 ILE HB . 15841 1 514 . 1 1 41 41 ILE HD11 H 1 0.62 . . 1 . . . . 41 ILE HD1 . 15841 1 515 . 1 1 41 41 ILE HD12 H 1 0.62 . . 1 . . . . 41 ILE HD1 . 15841 1 516 . 1 1 41 41 ILE HD13 H 1 0.62 . . 1 . . . . 41 ILE HD1 . 15841 1 517 . 1 1 41 41 ILE HG12 H 1 1.14 . . 2 . . . . 41 ILE HG12 . 15841 1 518 . 1 1 41 41 ILE HG13 H 1 1.14 . . 2 . . . . 41 ILE HG13 . 15841 1 519 . 1 1 41 41 ILE HG21 H 1 0.47 . . 1 . . . . 41 ILE HG2 . 15841 1 520 . 1 1 41 41 ILE HG22 H 1 0.47 . . 1 . . . . 41 ILE HG2 . 15841 1 521 . 1 1 41 41 ILE HG23 H 1 0.47 . . 1 . . . . 41 ILE HG2 . 15841 1 522 . 1 1 41 41 ILE C C 13 173.6 . . 1 . . . . 41 ILE C . 15841 1 523 . 1 1 41 41 ILE CA C 13 61.5 . . 1 . . . . 41 ILE CA . 15841 1 524 . 1 1 41 41 ILE CB C 13 35.8 . . 1 . . . . 41 ILE CB . 15841 1 525 . 1 1 41 41 ILE CD1 C 13 14.1 . . 1 . . . . 41 ILE CD1 . 15841 1 526 . 1 1 41 41 ILE CG1 C 13 28.3 . . 1 . . . . 41 ILE CG1 . 15841 1 527 . 1 1 41 41 ILE CG2 C 13 18.9 . . 1 . . . . 41 ILE CG2 . 15841 1 528 . 1 1 41 41 ILE N N 15 127.8 . . 1 . . . . 41 ILE N . 15841 1 529 . 1 1 42 42 ARG H H 1 8.46 . . 1 . . . . 42 ARG H . 15841 1 530 . 1 1 42 42 ARG HA H 1 4.11 . . 1 . . . . 42 ARG HA . 15841 1 531 . 1 1 42 42 ARG HB2 H 1 1.65 . . 2 . . . . 42 ARG HB2 . 15841 1 532 . 1 1 42 42 ARG HB3 H 1 1.65 . . 2 . . . . 42 ARG HB3 . 15841 1 533 . 1 1 42 42 ARG HD2 H 1 3.28 . . 2 . . . . 42 ARG HD2 . 15841 1 534 . 1 1 42 42 ARG HD3 H 1 3.26 . . 2 . . . . 42 ARG HD3 . 15841 1 535 . 1 1 42 42 ARG HG2 H 1 1.68 . . 2 . . . . 42 ARG HG2 . 15841 1 536 . 1 1 42 42 ARG HG3 H 1 1.68 . . 2 . . . . 42 ARG HG3 . 15841 1 537 . 1 1 42 42 ARG C C 13 176.5 . . 1 . . . . 42 ARG C . 15841 1 538 . 1 1 42 42 ARG CA C 13 57.7 . . 1 . . . . 42 ARG CA . 15841 1 539 . 1 1 42 42 ARG CB C 13 31.4 . . 1 . . . . 42 ARG CB . 15841 1 540 . 1 1 42 42 ARG CD C 13 43.1 . . 1 . . . . 42 ARG CD . 15841 1 541 . 1 1 42 42 ARG CG C 13 27.3 . . 1 . . . . 42 ARG CG . 15841 1 542 . 1 1 42 42 ARG N N 15 128.1 . . 1 . . . . 42 ARG N . 15841 1 543 . 1 1 43 43 LYS H H 1 7.92 . . 1 . . . . 43 LYS H . 15841 1 544 . 1 1 43 43 LYS HA H 1 4.53 . . 1 . . . . 43 LYS HA . 15841 1 545 . 1 1 43 43 LYS HB2 H 1 1.69 . . 2 . . . . 43 LYS HB2 . 15841 1 546 . 1 1 43 43 LYS HB3 H 1 1.69 . . 2 . . . . 43 LYS HB3 . 15841 1 547 . 1 1 43 43 LYS HD2 H 1 1.64 . . 2 . . . . 43 LYS HD2 . 15841 1 548 . 1 1 43 43 LYS HD3 H 1 1.64 . . 2 . . . . 43 LYS HD3 . 15841 1 549 . 1 1 43 43 LYS HE2 H 1 2.93 . . 2 . . . . 43 LYS HE2 . 15841 1 550 . 1 1 43 43 LYS HE3 H 1 2.93 . . 2 . . . . 43 LYS HE3 . 15841 1 551 . 1 1 43 43 LYS HG2 H 1 1.33 . . 2 . . . . 43 LYS HG2 . 15841 1 552 . 1 1 43 43 LYS HG3 H 1 1.24 . . 2 . . . . 43 LYS HG3 . 15841 1 553 . 1 1 43 43 LYS C C 13 173.1 . . 1 . . . . 43 LYS C . 15841 1 554 . 1 1 43 43 LYS CA C 13 56.4 . . 1 . . . . 43 LYS CA . 15841 1 555 . 1 1 43 43 LYS CB C 13 36.1 . . 1 . . . . 43 LYS CB . 15841 1 556 . 1 1 43 43 LYS CD C 13 28.8 . . 1 . . . . 43 LYS CD . 15841 1 557 . 1 1 43 43 LYS CE C 13 41.8 . . 1 . . . . 43 LYS CE . 15841 1 558 . 1 1 43 43 LYS CG C 13 24.8 . . 1 . . . . 43 LYS CG . 15841 1 559 . 1 1 43 43 LYS N N 15 116.4 . . 1 . . . . 43 LYS N . 15841 1 560 . 1 1 44 44 VAL H H 1 8.45 . . 1 . . . . 44 VAL H . 15841 1 561 . 1 1 44 44 VAL HA H 1 4.26 . . 1 . . . . 44 VAL HA . 15841 1 562 . 1 1 44 44 VAL HB H 1 1.90 . . 1 . . . . 44 VAL HB . 15841 1 563 . 1 1 44 44 VAL HG11 H 1 1.01 . . 2 . . . . 44 VAL HG1 . 15841 1 564 . 1 1 44 44 VAL HG12 H 1 1.01 . . 2 . . . . 44 VAL HG1 . 15841 1 565 . 1 1 44 44 VAL HG13 H 1 1.01 . . 2 . . . . 44 VAL HG1 . 15841 1 566 . 1 1 44 44 VAL HG21 H 1 0.84 . . 2 . . . . 44 VAL HG2 . 15841 1 567 . 1 1 44 44 VAL HG22 H 1 0.84 . . 2 . . . . 44 VAL HG2 . 15841 1 568 . 1 1 44 44 VAL HG23 H 1 0.84 . . 2 . . . . 44 VAL HG2 . 15841 1 569 . 1 1 44 44 VAL C C 13 175.0 . . 1 . . . . 44 VAL C . 15841 1 570 . 1 1 44 44 VAL CA C 13 61.5 . . 1 . . . . 44 VAL CA . 15841 1 571 . 1 1 44 44 VAL CB C 13 34.2 . . 1 . . . . 44 VAL CB . 15841 1 572 . 1 1 44 44 VAL CG1 C 13 20.7 . . 1 . . . . 44 VAL CG1 . 15841 1 573 . 1 1 44 44 VAL CG2 C 13 20.7 . . 1 . . . . 44 VAL CG2 . 15841 1 574 . 1 1 44 44 VAL N N 15 123.9 . . 1 . . . . 44 VAL N . 15841 1 575 . 1 1 45 45 ALA H H 1 7.55 . . 1 . . . . 45 ALA H . 15841 1 576 . 1 1 45 45 ALA HA H 1 4.48 . . 1 . . . . 45 ALA HA . 15841 1 577 . 1 1 45 45 ALA HB1 H 1 1.39 . . 1 . . . . 45 ALA HB . 15841 1 578 . 1 1 45 45 ALA HB2 H 1 1.39 . . 1 . . . . 45 ALA HB . 15841 1 579 . 1 1 45 45 ALA HB3 H 1 1.39 . . 1 . . . . 45 ALA HB . 15841 1 580 . 1 1 45 45 ALA CA C 13 51.5 . . 1 . . . . 45 ALA CA . 15841 1 581 . 1 1 45 45 ALA CB C 13 17.6 . . 1 . . . . 45 ALA CB . 15841 1 582 . 1 1 45 45 ALA N N 15 129.6 . . 1 . . . . 45 ALA N . 15841 1 583 . 1 1 46 46 PRO HA H 1 4.29 . . 1 . . . . 46 PRO HA . 15841 1 584 . 1 1 46 46 PRO HB2 H 1 2.40 . . 2 . . . . 46 PRO HB2 . 15841 1 585 . 1 1 46 46 PRO HB3 H 1 1.89 . . 2 . . . . 46 PRO HB3 . 15841 1 586 . 1 1 46 46 PRO HD2 H 1 3.85 . . 2 . . . . 46 PRO HD2 . 15841 1 587 . 1 1 46 46 PRO HD3 H 1 3.76 . . 2 . . . . 46 PRO HD3 . 15841 1 588 . 1 1 46 46 PRO HG2 H 1 2.18 . . 2 . . . . 46 PRO HG2 . 15841 1 589 . 1 1 46 46 PRO HG3 H 1 2.07 . . 2 . . . . 46 PRO HG3 . 15841 1 590 . 1 1 46 46 PRO C C 13 177.8 . . 1 . . . . 46 PRO C . 15841 1 591 . 1 1 46 46 PRO CA C 13 65.5 . . 1 . . . . 46 PRO CA . 15841 1 592 . 1 1 46 46 PRO CB C 13 31.6 . . 1 . . . . 46 PRO CB . 15841 1 593 . 1 1 46 46 PRO CD C 13 50.2 . . 1 . . . . 46 PRO CD . 15841 1 594 . 1 1 46 46 PRO CG C 13 27.6 . . 1 . . . . 46 PRO CG . 15841 1 595 . 1 1 47 47 LEU H H 1 8.33 . . 1 . . . . 47 LEU H . 15841 1 596 . 1 1 47 47 LEU HA H 1 4.33 . . 1 . . . . 47 LEU HA . 15841 1 597 . 1 1 47 47 LEU HB2 H 1 1.92 . . 2 . . . . 47 LEU HB2 . 15841 1 598 . 1 1 47 47 LEU HB3 H 1 1.75 . . 2 . . . . 47 LEU HB3 . 15841 1 599 . 1 1 47 47 LEU HD11 H 1 0.94 . . 2 . . . . 47 LEU HD1 . 15841 1 600 . 1 1 47 47 LEU HD12 H 1 0.94 . . 2 . . . . 47 LEU HD1 . 15841 1 601 . 1 1 47 47 LEU HD13 H 1 0.94 . . 2 . . . . 47 LEU HD1 . 15841 1 602 . 1 1 47 47 LEU HD21 H 1 0.88 . . 2 . . . . 47 LEU HD2 . 15841 1 603 . 1 1 47 47 LEU HD22 H 1 0.88 . . 2 . . . . 47 LEU HD2 . 15841 1 604 . 1 1 47 47 LEU HD23 H 1 0.88 . . 2 . . . . 47 LEU HD2 . 15841 1 605 . 1 1 47 47 LEU HG H 1 1.61 . . 1 . . . . 47 LEU HG . 15841 1 606 . 1 1 47 47 LEU C C 13 178.0 . . 1 . . . . 47 LEU C . 15841 1 607 . 1 1 47 47 LEU CA C 13 55.3 . . 1 . . . . 47 LEU CA . 15841 1 608 . 1 1 47 47 LEU CB C 13 40.3 . . 1 . . . . 47 LEU CB . 15841 1 609 . 1 1 47 47 LEU CD1 C 13 24.9 . . 1 . . . . 47 LEU CD1 . 15841 1 610 . 1 1 47 47 LEU CD2 C 13 22.6 . . 1 . . . . 47 LEU CD2 . 15841 1 611 . 1 1 47 47 LEU CG C 13 27.3 . . 1 . . . . 47 LEU CG . 15841 1 612 . 1 1 47 47 LEU N N 15 115.1 . . 1 . . . . 47 LEU N . 15841 1 613 . 1 1 48 48 GLY H H 1 8.42 . . 1 . . . . 48 GLY H . 15841 1 614 . 1 1 48 48 GLY HA2 H 1 4.09 . . 2 . . . . 48 GLY HA2 . 15841 1 615 . 1 1 48 48 GLY HA3 H 1 3.49 . . 2 . . . . 48 GLY HA3 . 15841 1 616 . 1 1 48 48 GLY C C 13 171.9 . . 1 . . . . 48 GLY C . 15841 1 617 . 1 1 48 48 GLY CA C 13 45.5 . . 1 . . . . 48 GLY CA . 15841 1 618 . 1 1 48 48 GLY N N 15 107.4 . . 1 . . . . 48 GLY N . 15841 1 619 . 1 1 49 49 ASP H H 1 6.85 . . 1 . . . . 49 ASP H . 15841 1 620 . 1 1 49 49 ASP HA H 1 5.05 . . 1 . . . . 49 ASP HA . 15841 1 621 . 1 1 49 49 ASP HB2 H 1 2.76 . . 2 . . . . 49 ASP HB2 . 15841 1 622 . 1 1 49 49 ASP HB3 H 1 2.38 . . 2 . . . . 49 ASP HB3 . 15841 1 623 . 1 1 49 49 ASP CA C 13 50.2 . . 1 . . . . 49 ASP CA . 15841 1 624 . 1 1 49 49 ASP CB C 13 45.3 . . 1 . . . . 49 ASP CB . 15841 1 625 . 1 1 49 49 ASP N N 15 116.0 . . 1 . . . . 49 ASP N . 15841 1 626 . 1 1 50 50 PRO HA H 1 5.45 . . 1 . . . . 50 PRO HA . 15841 1 627 . 1 1 50 50 PRO HB2 H 1 1.97 . . 2 . . . . 50 PRO HB2 . 15841 1 628 . 1 1 50 50 PRO HB3 H 1 2.01 . . 2 . . . . 50 PRO HB3 . 15841 1 629 . 1 1 50 50 PRO HD2 H 1 3.42 . . 2 . . . . 50 PRO HD2 . 15841 1 630 . 1 1 50 50 PRO HD3 H 1 3.42 . . 2 . . . . 50 PRO HD3 . 15841 1 631 . 1 1 50 50 PRO HG2 H 1 1.64 . . 2 . . . . 50 PRO HG2 . 15841 1 632 . 1 1 50 50 PRO HG3 H 1 1.86 . . 2 . . . . 50 PRO HG3 . 15841 1 633 . 1 1 50 50 PRO C C 13 174.9 . . 1 . . . . 50 PRO C . 15841 1 634 . 1 1 50 50 PRO CA C 13 63.9 . . 1 . . . . 50 PRO CA . 15841 1 635 . 1 1 50 50 PRO CB C 13 35.6 . . 1 . . . . 50 PRO CB . 15841 1 636 . 1 1 50 50 PRO CD C 13 50.0 . . 1 . . . . 50 PRO CD . 15841 1 637 . 1 1 50 50 PRO CG C 13 24.0 . . 1 . . . . 50 PRO CG . 15841 1 638 . 1 1 51 51 ILE H H 1 8.98 . . 1 . . . . 51 ILE H . 15841 1 639 . 1 1 51 51 ILE HA H 1 4.40 . . 1 . . . . 51 ILE HA . 15841 1 640 . 1 1 51 51 ILE HB H 1 1.60 . . 1 . . . . 51 ILE HB . 15841 1 641 . 1 1 51 51 ILE HD11 H 1 0.74 . . 1 . . . . 51 ILE HD1 . 15841 1 642 . 1 1 51 51 ILE HD12 H 1 0.74 . . 1 . . . . 51 ILE HD1 . 15841 1 643 . 1 1 51 51 ILE HD13 H 1 0.74 . . 1 . . . . 51 ILE HD1 . 15841 1 644 . 1 1 51 51 ILE HG12 H 1 1.04 . . 2 . . . . 51 ILE HG12 . 15841 1 645 . 1 1 51 51 ILE HG13 H 1 1.55 . . 2 . . . . 51 ILE HG13 . 15841 1 646 . 1 1 51 51 ILE HG21 H 1 0.80 . . 1 . . . . 51 ILE HG2 . 15841 1 647 . 1 1 51 51 ILE HG22 H 1 0.80 . . 1 . . . . 51 ILE HG2 . 15841 1 648 . 1 1 51 51 ILE HG23 H 1 0.80 . . 1 . . . . 51 ILE HG2 . 15841 1 649 . 1 1 51 51 ILE C C 13 174.5 . . 1 . . . . 51 ILE C . 15841 1 650 . 1 1 51 51 ILE CA C 13 61.1 . . 1 . . . . 51 ILE CA . 15841 1 651 . 1 1 51 51 ILE CB C 13 40.9 . . 1 . . . . 51 ILE CB . 15841 1 652 . 1 1 51 51 ILE CD1 C 13 14.9 . . 1 . . . . 51 ILE CD1 . 15841 1 653 . 1 1 51 51 ILE CG1 C 13 27.9 . . 1 . . . . 51 ILE CG1 . 15841 1 654 . 1 1 51 51 ILE CG2 C 13 17.8 . . 1 . . . . 51 ILE CG2 . 15841 1 655 . 1 1 51 51 ILE N N 15 118.1 . . 1 . . . . 51 ILE N . 15841 1 656 . 1 1 52 52 GLN H H 1 9.06 . . 1 . . . . 52 GLN H . 15841 1 657 . 1 1 52 52 GLN HA H 1 5.16 . . 1 . . . . 52 GLN HA . 15841 1 658 . 1 1 52 52 GLN HB2 H 1 2.12 . . 2 . . . . 52 GLN HB2 . 15841 1 659 . 1 1 52 52 GLN HB3 H 1 2.12 . . 2 . . . . 52 GLN HB3 . 15841 1 660 . 1 1 52 52 GLN HE21 H 1 6.74 . . 2 . . . . 52 GLN HE21 . 15841 1 661 . 1 1 52 52 GLN HE22 H 1 7.68 . . 2 . . . . 52 GLN HE22 . 15841 1 662 . 1 1 52 52 GLN HG2 H 1 2.28 . . 2 . . . . 52 GLN HG2 . 15841 1 663 . 1 1 52 52 GLN HG3 H 1 2.28 . . 2 . . . . 52 GLN HG3 . 15841 1 664 . 1 1 52 52 GLN C C 13 175.8 . . 1 . . . . 52 GLN C . 15841 1 665 . 1 1 52 52 GLN CA C 13 54.9 . . 1 . . . . 52 GLN CA . 15841 1 666 . 1 1 52 52 GLN CB C 13 29.6 . . 1 . . . . 52 GLN CB . 15841 1 667 . 1 1 52 52 GLN CG C 13 33.7 . . 1 . . . . 52 GLN CG . 15841 1 668 . 1 1 52 52 GLN N N 15 126.1 . . 1 . . . . 52 GLN N . 15841 1 669 . 1 1 52 52 GLN NE2 N 15 110.9 . . 1 . . . . 52 GLN NE2 . 15841 1 670 . 1 1 53 53 ILE H H 1 9.08 . . 1 . . . . 53 ILE H . 15841 1 671 . 1 1 53 53 ILE HA H 1 5.44 . . 1 . . . . 53 ILE HA . 15841 1 672 . 1 1 53 53 ILE HB H 1 1.95 . . 1 . . . . 53 ILE HB . 15841 1 673 . 1 1 53 53 ILE HD11 H 1 0.72 . . 1 . . . . 53 ILE HD1 . 15841 1 674 . 1 1 53 53 ILE HD12 H 1 0.72 . . 1 . . . . 53 ILE HD1 . 15841 1 675 . 1 1 53 53 ILE HD13 H 1 0.72 . . 1 . . . . 53 ILE HD1 . 15841 1 676 . 1 1 53 53 ILE HG12 H 1 1.03 . . 2 . . . . 53 ILE HG12 . 15841 1 677 . 1 1 53 53 ILE HG13 H 1 1.38 . . 2 . . . . 53 ILE HG13 . 15841 1 678 . 1 1 53 53 ILE HG21 H 1 0.78 . . 1 . . . . 53 ILE HG2 . 15841 1 679 . 1 1 53 53 ILE HG22 H 1 0.78 . . 1 . . . . 53 ILE HG2 . 15841 1 680 . 1 1 53 53 ILE HG23 H 1 0.78 . . 1 . . . . 53 ILE HG2 . 15841 1 681 . 1 1 53 53 ILE C C 13 174.0 . . 1 . . . . 53 ILE C . 15841 1 682 . 1 1 53 53 ILE CA C 13 58.7 . . 1 . . . . 53 ILE CA . 15841 1 683 . 1 1 53 53 ILE CB C 13 41.5 . . 1 . . . . 53 ILE CB . 15841 1 684 . 1 1 53 53 ILE CD1 C 13 14.0 . . 1 . . . . 53 ILE CD1 . 15841 1 685 . 1 1 53 53 ILE CG1 C 13 25.5 . . 1 . . . . 53 ILE CG1 . 15841 1 686 . 1 1 53 53 ILE CG2 C 13 18.9 . . 1 . . . . 53 ILE CG2 . 15841 1 687 . 1 1 53 53 ILE N N 15 117.6 . . 1 . . . . 53 ILE N . 15841 1 688 . 1 1 54 54 ASN H H 1 9.36 . . 1 . . . . 54 ASN H . 15841 1 689 . 1 1 54 54 ASN HA H 1 5.84 . . 1 . . . . 54 ASN HA . 15841 1 690 . 1 1 54 54 ASN HB2 H 1 2.80 . . 2 . . . . 54 ASN HB2 . 15841 1 691 . 1 1 54 54 ASN HB3 H 1 2.72 . . 2 . . . . 54 ASN HB3 . 15841 1 692 . 1 1 54 54 ASN HD21 H 1 6.59 . . 2 . . . . 54 ASN HD21 . 15841 1 693 . 1 1 54 54 ASN HD22 H 1 7.65 . . 2 . . . . 54 ASN HD22 . 15841 1 694 . 1 1 54 54 ASN C C 13 174.8 . . 1 . . . . 54 ASN C . 15841 1 695 . 1 1 54 54 ASN CA C 13 52.3 . . 1 . . . . 54 ASN CA . 15841 1 696 . 1 1 54 54 ASN CB C 13 42.2 . . 1 . . . . 54 ASN CB . 15841 1 697 . 1 1 54 54 ASN N N 15 120.1 . . 1 . . . . 54 ASN N . 15841 1 698 . 1 1 54 54 ASN ND2 N 15 110.9 . . 1 . . . . 54 ASN ND2 . 15841 1 699 . 1 1 55 55 VAL H H 1 8.90 . . 1 . . . . 55 VAL H . 15841 1 700 . 1 1 55 55 VAL HA H 1 4.48 . . 1 . . . . 55 VAL HA . 15841 1 701 . 1 1 55 55 VAL HB H 1 1.99 . . 1 . . . . 55 VAL HB . 15841 1 702 . 1 1 55 55 VAL HG11 H 1 0.94 . . 2 . . . . 55 VAL HG1 . 15841 1 703 . 1 1 55 55 VAL HG12 H 1 0.94 . . 2 . . . . 55 VAL HG1 . 15841 1 704 . 1 1 55 55 VAL HG13 H 1 0.94 . . 2 . . . . 55 VAL HG1 . 15841 1 705 . 1 1 55 55 VAL HG21 H 1 0.91 . . 2 . . . . 55 VAL HG2 . 15841 1 706 . 1 1 55 55 VAL HG22 H 1 0.91 . . 2 . . . . 55 VAL HG2 . 15841 1 707 . 1 1 55 55 VAL HG23 H 1 0.91 . . 2 . . . . 55 VAL HG2 . 15841 1 708 . 1 1 55 55 VAL C C 13 174.4 . . 1 . . . . 55 VAL C . 15841 1 709 . 1 1 55 55 VAL CA C 13 60.8 . . 1 . . . . 55 VAL CA . 15841 1 710 . 1 1 55 55 VAL CB C 13 34.3 . . 1 . . . . 55 VAL CB . 15841 1 711 . 1 1 55 55 VAL CG1 C 13 22.0 . . 1 . . . . 55 VAL CG1 . 15841 1 712 . 1 1 55 55 VAL CG2 C 13 20.2 . . 1 . . . . 55 VAL CG2 . 15841 1 713 . 1 1 55 55 VAL N N 15 124.4 . . 1 . . . . 55 VAL N . 15841 1 714 . 1 1 56 56 ARG H H 1 9.68 . . 1 . . . . 56 ARG H . 15841 1 715 . 1 1 56 56 ARG HA H 1 3.88 . . 1 . . . . 56 ARG HA . 15841 1 716 . 1 1 56 56 ARG HB2 H 1 1.97 . . 2 . . . . 56 ARG HB2 . 15841 1 717 . 1 1 56 56 ARG HB3 H 1 2.19 . . 2 . . . . 56 ARG HB3 . 15841 1 718 . 1 1 56 56 ARG HD2 H 1 3.35 . . 2 . . . . 56 ARG HD2 . 15841 1 719 . 1 1 56 56 ARG HD3 H 1 3.35 . . 2 . . . . 56 ARG HD3 . 15841 1 720 . 1 1 56 56 ARG HG2 H 1 1.77 . . 2 . . . . 56 ARG HG2 . 15841 1 721 . 1 1 56 56 ARG HG3 H 1 1.77 . . 2 . . . . 56 ARG HG3 . 15841 1 722 . 1 1 56 56 ARG C C 13 175.0 . . 1 . . . . 56 ARG C . 15841 1 723 . 1 1 56 56 ARG CA C 13 57.2 . . 1 . . . . 56 ARG CA . 15841 1 724 . 1 1 56 56 ARG CB C 13 28.4 . . 1 . . . . 56 ARG CB . 15841 1 725 . 1 1 56 56 ARG CD C 13 43.7 . . 1 . . . . 56 ARG CD . 15841 1 726 . 1 1 56 56 ARG CG C 13 28.4 . . 1 . . . . 56 ARG CG . 15841 1 727 . 1 1 56 56 ARG N N 15 125.1 . . 1 . . . . 56 ARG N . 15841 1 728 . 1 1 57 57 GLY H H 1 8.13 . . 1 . . . . 57 GLY H . 15841 1 729 . 1 1 57 57 GLY HA2 H 1 4.13 . . 2 . . . . 57 GLY HA2 . 15841 1 730 . 1 1 57 57 GLY HA3 H 1 3.61 . . 2 . . . . 57 GLY HA3 . 15841 1 731 . 1 1 57 57 GLY C C 13 174.3 . . 1 . . . . 57 GLY C . 15841 1 732 . 1 1 57 57 GLY CA C 13 45.3 . . 1 . . . . 57 GLY CA . 15841 1 733 . 1 1 57 57 GLY N N 15 103.5 . . 1 . . . . 57 GLY N . 15841 1 734 . 1 1 58 58 TYR H H 1 8.18 . . 1 . . . . 58 TYR H . 15841 1 735 . 1 1 58 58 TYR HA H 1 4.75 . . 1 . . . . 58 TYR HA . 15841 1 736 . 1 1 58 58 TYR HB2 H 1 3.09 . . 2 . . . . 58 TYR HB2 . 15841 1 737 . 1 1 58 58 TYR HB3 H 1 3.00 . . 2 . . . . 58 TYR HB3 . 15841 1 738 . 1 1 58 58 TYR HD1 H 1 7.17 . . 3 . . . . 58 TYR HD1 . 15841 1 739 . 1 1 58 58 TYR HD2 H 1 7.17 . . 3 . . . . 58 TYR HD2 . 15841 1 740 . 1 1 58 58 TYR HE1 H 1 6.84 . . 3 . . . . 58 TYR HE1 . 15841 1 741 . 1 1 58 58 TYR HE2 H 1 6.84 . . 3 . . . . 58 TYR HE2 . 15841 1 742 . 1 1 58 58 TYR C C 13 174.5 . . 1 . . . . 58 TYR C . 15841 1 743 . 1 1 58 58 TYR CA C 13 56.6 . . 1 . . . . 58 TYR CA . 15841 1 744 . 1 1 58 58 TYR CB C 13 39.5 . . 1 . . . . 58 TYR CB . 15841 1 745 . 1 1 58 58 TYR CD1 C 13 133.2 . . 1 . . . . 58 TYR CD1 . 15841 1 746 . 1 1 58 58 TYR CE1 C 13 117.8 . . 1 . . . . 58 TYR CE1 . 15841 1 747 . 1 1 58 58 TYR N N 15 121.3 . . 1 . . . . 58 TYR N . 15841 1 748 . 1 1 59 59 GLU H H 1 8.48 . . 1 . . . . 59 GLU H . 15841 1 749 . 1 1 59 59 GLU HA H 1 5.12 . . 1 . . . . 59 GLU HA . 15841 1 750 . 1 1 59 59 GLU HB2 H 1 2.01 . . 2 . . . . 59 GLU HB2 . 15841 1 751 . 1 1 59 59 GLU HB3 H 1 1.94 . . 2 . . . . 59 GLU HB3 . 15841 1 752 . 1 1 59 59 GLU HG2 H 1 2.31 . . 2 . . . . 59 GLU HG2 . 15841 1 753 . 1 1 59 59 GLU HG3 H 1 2.20 . . 2 . . . . 59 GLU HG3 . 15841 1 754 . 1 1 59 59 GLU C C 13 178.4 . . 1 . . . . 59 GLU C . 15841 1 755 . 1 1 59 59 GLU CA C 13 55.2 . . 1 . . . . 59 GLU CA . 15841 1 756 . 1 1 59 59 GLU CB C 13 30.4 . . 1 . . . . 59 GLU CB . 15841 1 757 . 1 1 59 59 GLU CG C 13 35.9 . . 1 . . . . 59 GLU CG . 15841 1 758 . 1 1 59 59 GLU N N 15 122.4 . . 1 . . . . 59 GLU N . 15841 1 759 . 1 1 60 60 LEU H H 1 8.90 . . 1 . . . . 60 LEU H . 15841 1 760 . 1 1 60 60 LEU HA H 1 4.83 . . 1 . . . . 60 LEU HA . 15841 1 761 . 1 1 60 60 LEU HB2 H 1 1.49 . . 2 . . . . 60 LEU HB2 . 15841 1 762 . 1 1 60 60 LEU HB3 H 1 1.49 . . 2 . . . . 60 LEU HB3 . 15841 1 763 . 1 1 60 60 LEU HD11 H 1 1.01 . . 2 . . . . 60 LEU HD1 . 15841 1 764 . 1 1 60 60 LEU HD12 H 1 1.01 . . 2 . . . . 60 LEU HD1 . 15841 1 765 . 1 1 60 60 LEU HD13 H 1 1.01 . . 2 . . . . 60 LEU HD1 . 15841 1 766 . 1 1 60 60 LEU HD21 H 1 0.94 . . 2 . . . . 60 LEU HD2 . 15841 1 767 . 1 1 60 60 LEU HD22 H 1 0.94 . . 2 . . . . 60 LEU HD2 . 15841 1 768 . 1 1 60 60 LEU HD23 H 1 0.94 . . 2 . . . . 60 LEU HD2 . 15841 1 769 . 1 1 60 60 LEU HG H 1 1.60 . . 1 . . . . 60 LEU HG . 15841 1 770 . 1 1 60 60 LEU C C 13 175.1 . . 1 . . . . 60 LEU C . 15841 1 771 . 1 1 60 60 LEU CA C 13 53.8 . . 1 . . . . 60 LEU CA . 15841 1 772 . 1 1 60 60 LEU CB C 13 46.2 . . 1 . . . . 60 LEU CB . 15841 1 773 . 1 1 60 60 LEU CD1 C 13 24.1 . . 1 . . . . 60 LEU CD1 . 15841 1 774 . 1 1 60 60 LEU CD2 C 13 26.2 . . 1 . . . . 60 LEU CD2 . 15841 1 775 . 1 1 60 60 LEU CG C 13 26.8 . . 1 . . . . 60 LEU CG . 15841 1 776 . 1 1 60 60 LEU N N 15 124.6 . . 1 . . . . 60 LEU N . 15841 1 777 . 1 1 61 61 SER H H 1 8.39 . . 1 . . . . 61 SER H . 15841 1 778 . 1 1 61 61 SER HA H 1 5.15 . . 1 . . . . 61 SER HA . 15841 1 779 . 1 1 61 61 SER HB2 H 1 3.67 . . 2 . . . . 61 SER HB2 . 15841 1 780 . 1 1 61 61 SER HB3 H 1 3.67 . . 2 . . . . 61 SER HB3 . 15841 1 781 . 1 1 61 61 SER C C 13 173.3 . . 1 . . . . 61 SER C . 15841 1 782 . 1 1 61 61 SER CA C 13 56.6 . . 1 . . . . 61 SER CA . 15841 1 783 . 1 1 61 61 SER CB C 13 63.9 . . 1 . . . . 61 SER CB . 15841 1 784 . 1 1 61 61 SER N N 15 116.1 . . 1 . . . . 61 SER N . 15841 1 785 . 1 1 62 62 LEU H H 1 9.19 . . 1 . . . . 62 LEU H . 15841 1 786 . 1 1 62 62 LEU HA H 1 4.70 . . 1 . . . . 62 LEU HA . 15841 1 787 . 1 1 62 62 LEU HB2 H 1 1.64 . . 2 . . . . 62 LEU HB2 . 15841 1 788 . 1 1 62 62 LEU HB3 H 1 1.32 . . 2 . . . . 62 LEU HB3 . 15841 1 789 . 1 1 62 62 LEU HD11 H 1 0.72 . . 2 . . . . 62 LEU HD1 . 15841 1 790 . 1 1 62 62 LEU HD12 H 1 0.72 . . 2 . . . . 62 LEU HD1 . 15841 1 791 . 1 1 62 62 LEU HD13 H 1 0.72 . . 2 . . . . 62 LEU HD1 . 15841 1 792 . 1 1 62 62 LEU HD21 H 1 0.72 . . 2 . . . . 62 LEU HD2 . 15841 1 793 . 1 1 62 62 LEU HD22 H 1 0.72 . . 2 . . . . 62 LEU HD2 . 15841 1 794 . 1 1 62 62 LEU HD23 H 1 0.72 . . 2 . . . . 62 LEU HD2 . 15841 1 795 . 1 1 62 62 LEU HG H 1 1.54 . . 1 . . . . 62 LEU HG . 15841 1 796 . 1 1 62 62 LEU C C 13 175.8 . . 1 . . . . 62 LEU C . 15841 1 797 . 1 1 62 62 LEU CA C 13 53.0 . . 1 . . . . 62 LEU CA . 15841 1 798 . 1 1 62 62 LEU CB C 13 45.9 . . 1 . . . . 62 LEU CB . 15841 1 799 . 1 1 62 62 LEU CD1 C 13 25.5 . . 1 . . . . 62 LEU CD1 . 15841 1 800 . 1 1 62 62 LEU CD2 C 13 25.5 . . 1 . . . . 62 LEU CD2 . 15841 1 801 . 1 1 62 62 LEU CG C 13 26.8 . . 1 . . . . 62 LEU CG . 15841 1 802 . 1 1 62 62 LEU N N 15 126.8 . . 1 . . . . 62 LEU N . 15841 1 803 . 1 1 63 63 ARG H H 1 8.67 . . 1 . . . . 63 ARG H . 15841 1 804 . 1 1 63 63 ARG HA H 1 4.64 . . 1 . . . . 63 ARG HA . 15841 1 805 . 1 1 63 63 ARG HB2 H 1 1.82 . . 2 . . . . 63 ARG HB2 . 15841 1 806 . 1 1 63 63 ARG HB3 H 1 2.23 . . 2 . . . . 63 ARG HB3 . 15841 1 807 . 1 1 63 63 ARG HD2 H 1 3.08 . . 2 . . . . 63 ARG HD2 . 15841 1 808 . 1 1 63 63 ARG HD3 H 1 3.33 . . 2 . . . . 63 ARG HD3 . 15841 1 809 . 1 1 63 63 ARG HG2 H 1 1.76 . . 2 . . . . 63 ARG HG2 . 15841 1 810 . 1 1 63 63 ARG HG3 H 1 1.91 . . 2 . . . . 63 ARG HG3 . 15841 1 811 . 1 1 63 63 ARG C C 13 176.0 . . 1 . . . . 63 ARG C . 15841 1 812 . 1 1 63 63 ARG CA C 13 53.7 . . 1 . . . . 63 ARG CA . 15841 1 813 . 1 1 63 63 ARG CB C 13 29.1 . . 1 . . . . 63 ARG CB . 15841 1 814 . 1 1 63 63 ARG CD C 13 41.2 . . 1 . . . . 63 ARG CD . 15841 1 815 . 1 1 63 63 ARG CG C 13 26.3 . . 1 . . . . 63 ARG CG . 15841 1 816 . 1 1 63 63 ARG N N 15 120.6 . . 1 . . . . 63 ARG N . 15841 1 817 . 1 1 64 64 LYS H H 1 8.90 . . 1 . . . . 64 LYS H . 15841 1 818 . 1 1 64 64 LYS HA H 1 3.80 . . 1 . . . . 64 LYS HA . 15841 1 819 . 1 1 64 64 LYS HB2 H 1 1.92 . . 2 . . . . 64 LYS HB2 . 15841 1 820 . 1 1 64 64 LYS HB3 H 1 1.72 . . 2 . . . . 64 LYS HB3 . 15841 1 821 . 1 1 64 64 LYS HD2 H 1 1.63 . . 2 . . . . 64 LYS HD2 . 15841 1 822 . 1 1 64 64 LYS HD3 H 1 1.56 . . 2 . . . . 64 LYS HD3 . 15841 1 823 . 1 1 64 64 LYS HE2 H 1 2.89 . . 2 . . . . 64 LYS HE2 . 15841 1 824 . 1 1 64 64 LYS HE3 H 1 2.89 . . 2 . . . . 64 LYS HE3 . 15841 1 825 . 1 1 64 64 LYS HG2 H 1 1.39 . . 2 . . . . 64 LYS HG2 . 15841 1 826 . 1 1 64 64 LYS HG3 H 1 1.29 . . 2 . . . . 64 LYS HG3 . 15841 1 827 . 1 1 64 64 LYS C C 13 177.1 . . 1 . . . . 64 LYS C . 15841 1 828 . 1 1 64 64 LYS CA C 13 60.2 . . 1 . . . . 64 LYS CA . 15841 1 829 . 1 1 64 64 LYS CB C 13 32.3 . . 1 . . . . 64 LYS CB . 15841 1 830 . 1 1 64 64 LYS CD C 13 29.4 . . 1 . . . . 64 LYS CD . 15841 1 831 . 1 1 64 64 LYS CE C 13 41.6 . . 1 . . . . 64 LYS CE . 15841 1 832 . 1 1 64 64 LYS CG C 13 24.5 . . 1 . . . . 64 LYS CG . 15841 1 833 . 1 1 64 64 LYS N N 15 124.6 . . 1 . . . . 64 LYS N . 15841 1 834 . 1 1 65 65 SER H H 1 8.38 . . 1 . . . . 65 SER H . 15841 1 835 . 1 1 65 65 SER HA H 1 4.13 . . 1 . . . . 65 SER HA . 15841 1 836 . 1 1 65 65 SER HB2 H 1 3.84 . . 2 . . . . 65 SER HB2 . 15841 1 837 . 1 1 65 65 SER HB3 H 1 3.84 . . 2 . . . . 65 SER HB3 . 15841 1 838 . 1 1 65 65 SER C C 13 176.0 . . 1 . . . . 65 SER C . 15841 1 839 . 1 1 65 65 SER CA C 13 60.3 . . 1 . . . . 65 SER CA . 15841 1 840 . 1 1 65 65 SER CB C 13 61.9 . . 1 . . . . 65 SER CB . 15841 1 841 . 1 1 65 65 SER N N 15 110.9 . . 1 . . . . 65 SER N . 15841 1 842 . 1 1 66 66 ALA H H 1 6.91 . . 1 . . . . 66 ALA H . 15841 1 843 . 1 1 66 66 ALA HA H 1 4.29 . . 1 . . . . 66 ALA HA . 15841 1 844 . 1 1 66 66 ALA HB1 H 1 1.45 . . 1 . . . . 66 ALA HB . 15841 1 845 . 1 1 66 66 ALA HB2 H 1 1.45 . . 1 . . . . 66 ALA HB . 15841 1 846 . 1 1 66 66 ALA HB3 H 1 1.45 . . 1 . . . . 66 ALA HB . 15841 1 847 . 1 1 66 66 ALA C C 13 178.8 . . 1 . . . . 66 ALA C . 15841 1 848 . 1 1 66 66 ALA CA C 13 54.0 . . 1 . . . . 66 ALA CA . 15841 1 849 . 1 1 66 66 ALA CB C 13 18.8 . . 1 . . . . 66 ALA CB . 15841 1 850 . 1 1 66 66 ALA N N 15 122.6 . . 1 . . . . 66 ALA N . 15841 1 851 . 1 1 67 67 ALA H H 1 8.05 . . 1 . . . . 67 ALA H . 15841 1 852 . 1 1 67 67 ALA HA H 1 3.85 . . 1 . . . . 67 ALA HA . 15841 1 853 . 1 1 67 67 ALA HB1 H 1 1.28 . . 1 . . . . 67 ALA HB . 15841 1 854 . 1 1 67 67 ALA HB2 H 1 1.28 . . 1 . . . . 67 ALA HB . 15841 1 855 . 1 1 67 67 ALA HB3 H 1 1.28 . . 1 . . . . 67 ALA HB . 15841 1 856 . 1 1 67 67 ALA C C 13 178.8 . . 1 . . . . 67 ALA C . 15841 1 857 . 1 1 67 67 ALA CA C 13 54.9 . . 1 . . . . 67 ALA CA . 15841 1 858 . 1 1 67 67 ALA CB C 13 18.7 . . 1 . . . . 67 ALA CB . 15841 1 859 . 1 1 67 67 ALA N N 15 118.8 . . 1 . . . . 67 ALA N . 15841 1 860 . 1 1 68 68 GLU H H 1 7.91 . . 1 . . . . 68 GLU H . 15841 1 861 . 1 1 68 68 GLU HA H 1 4.15 . . 1 . . . . 68 GLU HA . 15841 1 862 . 1 1 68 68 GLU HB2 H 1 2.06 . . 2 . . . . 68 GLU HB2 . 15841 1 863 . 1 1 68 68 GLU HB3 H 1 1.90 . . 2 . . . . 68 GLU HB3 . 15841 1 864 . 1 1 68 68 GLU HG2 H 1 2.32 . . 2 . . . . 68 GLU HG2 . 15841 1 865 . 1 1 68 68 GLU HG3 H 1 2.24 . . 2 . . . . 68 GLU HG3 . 15841 1 866 . 1 1 68 68 GLU C C 13 175.9 . . 1 . . . . 68 GLU C . 15841 1 867 . 1 1 68 68 GLU CA C 13 57.2 . . 1 . . . . 68 GLU CA . 15841 1 868 . 1 1 68 68 GLU CB C 13 29.8 . . 1 . . . . 68 GLU CB . 15841 1 869 . 1 1 68 68 GLU CG C 13 36.5 . . 1 . . . . 68 GLU CG . 15841 1 870 . 1 1 68 68 GLU N N 15 113.1 . . 1 . . . . 68 GLU N . 15841 1 871 . 1 1 69 69 MET H H 1 7.36 . . 1 . . . . 69 MET H . 15841 1 872 . 1 1 69 69 MET HA H 1 4.59 . . 1 . . . . 69 MET HA . 15841 1 873 . 1 1 69 69 MET HB2 H 1 2.79 . . 2 . . . . 69 MET HB2 . 15841 1 874 . 1 1 69 69 MET HB3 H 1 2.10 . . 2 . . . . 69 MET HB3 . 15841 1 875 . 1 1 69 69 MET HE1 H 1 2.06 . . 1 . . . . 69 MET HE . 15841 1 876 . 1 1 69 69 MET HE2 H 1 2.06 . . 1 . . . . 69 MET HE . 15841 1 877 . 1 1 69 69 MET HE3 H 1 2.06 . . 1 . . . . 69 MET HE . 15841 1 878 . 1 1 69 69 MET HG2 H 1 2.54 . . 2 . . . . 69 MET HG2 . 15841 1 879 . 1 1 69 69 MET HG3 H 1 2.40 . . 2 . . . . 69 MET HG3 . 15841 1 880 . 1 1 69 69 MET C C 13 174.4 . . 1 . . . . 69 MET C . 15841 1 881 . 1 1 69 69 MET CA C 13 53.8 . . 1 . . . . 69 MET CA . 15841 1 882 . 1 1 69 69 MET CB C 13 32.4 . . 1 . . . . 69 MET CB . 15841 1 883 . 1 1 69 69 MET CE C 13 16.2 . . 1 . . . . 69 MET CE . 15841 1 884 . 1 1 69 69 MET CG C 13 32.4 . . 1 . . . . 69 MET CG . 15841 1 885 . 1 1 69 69 MET N N 15 114.1 . . 1 . . . . 69 MET N . 15841 1 886 . 1 1 70 70 ILE H H 1 7.31 . . 1 . . . . 70 ILE H . 15841 1 887 . 1 1 70 70 ILE HA H 1 4.26 . . 1 . . . . 70 ILE HA . 15841 1 888 . 1 1 70 70 ILE HB H 1 1.88 . . 1 . . . . 70 ILE HB . 15841 1 889 . 1 1 70 70 ILE HD11 H 1 0.70 . . 1 . . . . 70 ILE HD1 . 15841 1 890 . 1 1 70 70 ILE HD12 H 1 0.70 . . 1 . . . . 70 ILE HD1 . 15841 1 891 . 1 1 70 70 ILE HD13 H 1 0.70 . . 1 . . . . 70 ILE HD1 . 15841 1 892 . 1 1 70 70 ILE HG12 H 1 2.03 . . 2 . . . . 70 ILE HG12 . 15841 1 893 . 1 1 70 70 ILE HG13 H 1 0.71 . . 2 . . . . 70 ILE HG13 . 15841 1 894 . 1 1 70 70 ILE HG21 H 1 0.65 . . 1 . . . . 70 ILE HG2 . 15841 1 895 . 1 1 70 70 ILE HG22 H 1 0.65 . . 1 . . . . 70 ILE HG2 . 15841 1 896 . 1 1 70 70 ILE HG23 H 1 0.65 . . 1 . . . . 70 ILE HG2 . 15841 1 897 . 1 1 70 70 ILE C C 13 174.1 . . 1 . . . . 70 ILE C . 15841 1 898 . 1 1 70 70 ILE CA C 13 60.9 . . 1 . . . . 70 ILE CA . 15841 1 899 . 1 1 70 70 ILE CB C 13 38.7 . . 1 . . . . 70 ILE CB . 15841 1 900 . 1 1 70 70 ILE CD1 C 13 15.0 . . 1 . . . . 70 ILE CD1 . 15841 1 901 . 1 1 70 70 ILE CG1 C 13 26.7 . . 1 . . . . 70 ILE CG1 . 15841 1 902 . 1 1 70 70 ILE CG2 C 13 18.3 . . 1 . . . . 70 ILE CG2 . 15841 1 903 . 1 1 70 70 ILE N N 15 120.3 . . 1 . . . . 70 ILE N . 15841 1 904 . 1 1 71 71 GLU H H 1 8.91 . . 1 . . . . 71 GLU H . 15841 1 905 . 1 1 71 71 GLU HA H 1 4.75 . . 1 . . . . 71 GLU HA . 15841 1 906 . 1 1 71 71 GLU HB2 H 1 2.39 . . 2 . . . . 71 GLU HB2 . 15841 1 907 . 1 1 71 71 GLU HB3 H 1 2.13 . . 2 . . . . 71 GLU HB3 . 15841 1 908 . 1 1 71 71 GLU HG2 H 1 2.61 . . 2 . . . . 71 GLU HG2 . 15841 1 909 . 1 1 71 71 GLU HG3 H 1 2.18 . . 2 . . . . 71 GLU HG3 . 15841 1 910 . 1 1 71 71 GLU C C 13 177.1 . . 1 . . . . 71 GLU C . 15841 1 911 . 1 1 71 71 GLU CA C 13 55.9 . . 1 . . . . 71 GLU CA . 15841 1 912 . 1 1 71 71 GLU CB C 13 30.6 . . 1 . . . . 71 GLU CB . 15841 1 913 . 1 1 71 71 GLU CG C 13 35.5 . . 1 . . . . 71 GLU CG . 15841 1 914 . 1 1 71 71 GLU N N 15 129.5 . . 1 . . . . 71 GLU N . 15841 1 915 . 1 1 72 72 VAL H H 1 8.88 . . 1 . . . . 72 VAL H . 15841 1 916 . 1 1 72 72 VAL HA H 1 5.52 . . 1 . . . . 72 VAL HA . 15841 1 917 . 1 1 72 72 VAL HB H 1 1.89 . . 1 . . . . 72 VAL HB . 15841 1 918 . 1 1 72 72 VAL HG11 H 1 0.71 . . 2 . . . . 72 VAL HG1 . 15841 1 919 . 1 1 72 72 VAL HG12 H 1 0.71 . . 2 . . . . 72 VAL HG1 . 15841 1 920 . 1 1 72 72 VAL HG13 H 1 0.71 . . 2 . . . . 72 VAL HG1 . 15841 1 921 . 1 1 72 72 VAL HG21 H 1 0.14 . . 2 . . . . 72 VAL HG2 . 15841 1 922 . 1 1 72 72 VAL HG22 H 1 0.14 . . 2 . . . . 72 VAL HG2 . 15841 1 923 . 1 1 72 72 VAL HG23 H 1 0.14 . . 2 . . . . 72 VAL HG2 . 15841 1 924 . 1 1 72 72 VAL C C 13 173.2 . . 1 . . . . 72 VAL C . 15841 1 925 . 1 1 72 72 VAL CA C 13 58.5 . . 1 . . . . 72 VAL CA . 15841 1 926 . 1 1 72 72 VAL CB C 13 36.2 . . 1 . . . . 72 VAL CB . 15841 1 927 . 1 1 72 72 VAL CG1 C 13 -5.4 . . 1 . . . . 72 VAL CG1 . 15841 1 928 . 1 1 72 72 VAL CG2 C 13 17.6 . . 1 . . . . 72 VAL CG2 . 15841 1 929 . 1 1 72 72 VAL N N 15 119.4 . . 1 . . . . 72 VAL N . 15841 1 930 . 1 1 73 73 GLU H H 1 8.72 . . 1 . . . . 73 GLU H . 15841 1 931 . 1 1 73 73 GLU HA H 1 4.75 . . 1 . . . . 73 GLU HA . 15841 1 932 . 1 1 73 73 GLU HB2 H 1 1.90 . . 2 . . . . 73 GLU HB2 . 15841 1 933 . 1 1 73 73 GLU HB3 H 1 1.93 . . 2 . . . . 73 GLU HB3 . 15841 1 934 . 1 1 73 73 GLU HG2 H 1 2.13 . . 2 . . . . 73 GLU HG2 . 15841 1 935 . 1 1 73 73 GLU HG3 H 1 2.19 . . 2 . . . . 73 GLU HG3 . 15841 1 936 . 1 1 73 73 GLU C C 13 175.3 . . 1 . . . . 73 GLU C . 15841 1 937 . 1 1 73 73 GLU CA C 13 54.0 . . 1 . . . . 73 GLU CA . 15841 1 938 . 1 1 73 73 GLU CB C 13 33.3 . . 1 . . . . 73 GLU CB . 15841 1 939 . 1 1 73 73 GLU CG C 13 35.5 . . 1 . . . . 73 GLU CG . 15841 1 940 . 1 1 73 73 GLU N N 15 116.6 . . 1 . . . . 73 GLU N . 15841 1 941 . 1 1 74 74 LEU H H 1 8.78 . . 1 . . . . 74 LEU H . 15841 1 942 . 1 1 74 74 LEU HA H 1 4.33 . . 1 . . . . 74 LEU HA . 15841 1 943 . 1 1 74 74 LEU HB2 H 1 1.47 . . 2 . . . . 74 LEU HB2 . 15841 1 944 . 1 1 74 74 LEU HB3 H 1 1.47 . . 2 . . . . 74 LEU HB3 . 15841 1 945 . 1 1 74 74 LEU HD11 H 1 0.87 . . 2 . . . . 74 LEU HD1 . 15841 1 946 . 1 1 74 74 LEU HD12 H 1 0.87 . . 2 . . . . 74 LEU HD1 . 15841 1 947 . 1 1 74 74 LEU HD13 H 1 0.87 . . 2 . . . . 74 LEU HD1 . 15841 1 948 . 1 1 74 74 LEU HD21 H 1 0.75 . . 2 . . . . 74 LEU HD2 . 15841 1 949 . 1 1 74 74 LEU HD22 H 1 0.75 . . 2 . . . . 74 LEU HD2 . 15841 1 950 . 1 1 74 74 LEU HD23 H 1 0.75 . . 2 . . . . 74 LEU HD2 . 15841 1 951 . 1 1 74 74 LEU HG H 1 1.52 . . 1 . . . . 74 LEU HG . 15841 1 952 . 1 1 74 74 LEU C C 13 176.4 . . 1 . . . . 74 LEU C . 15841 1 953 . 1 1 74 74 LEU CA C 13 55.4 . . 1 . . . . 74 LEU CA . 15841 1 954 . 1 1 74 74 LEU CB C 13 42.6 . . 1 . . . . 74 LEU CB . 15841 1 955 . 1 1 74 74 LEU CD1 C 13 24.2 . . 1 . . . . 74 LEU CD1 . 15841 1 956 . 1 1 74 74 LEU CD2 C 13 22.0 . . 1 . . . . 74 LEU CD2 . 15841 1 957 . 1 1 74 74 LEU CG C 13 27.1 . . 1 . . . . 74 LEU CG . 15841 1 958 . 1 1 74 74 LEU N N 15 124.1 . . 1 . . . . 74 LEU N . 15841 1 959 . 1 1 75 75 GLU H H 1 8.45 . . 1 . . . . 75 GLU H . 15841 1 960 . 1 1 75 75 GLU HA H 1 4.35 . . 1 . . . . 75 GLU HA . 15841 1 961 . 1 1 75 75 GLU HB2 H 1 1.81 . . 2 . . . . 75 GLU HB2 . 15841 1 962 . 1 1 75 75 GLU HB3 H 1 1.74 . . 2 . . . . 75 GLU HB3 . 15841 1 963 . 1 1 75 75 GLU HG2 H 1 2.08 . . 2 . . . . 75 GLU HG2 . 15841 1 964 . 1 1 75 75 GLU HG3 H 1 2.11 . . 2 . . . . 75 GLU HG3 . 15841 1 965 . 1 1 75 75 GLU C C 13 175.7 . . 1 . . . . 75 GLU C . 15841 1 966 . 1 1 75 75 GLU CA C 13 55.8 . . 1 . . . . 75 GLU CA . 15841 1 967 . 1 1 75 75 GLU CB C 13 30.5 . . 1 . . . . 75 GLU CB . 15841 1 968 . 1 1 75 75 GLU CG C 13 35.8 . . 1 . . . . 75 GLU CG . 15841 1 969 . 1 1 75 75 GLU N N 15 123.5 . . 1 . . . . 75 GLU N . 15841 1 970 . 1 1 76 76 HIS H H 1 8.50 . . 1 . . . . 76 HIS H . 15841 1 971 . 1 1 76 76 HIS HA H 1 4.59 . . 1 . . . . 76 HIS HA . 15841 1 972 . 1 1 76 76 HIS HB2 H 1 2.96 . . 2 . . . . 76 HIS HB2 . 15841 1 973 . 1 1 76 76 HIS HB3 H 1 2.96 . . 2 . . . . 76 HIS HB3 . 15841 1 974 . 1 1 76 76 HIS HD2 H 1 7.01 . . 1 . . . . 76 HIS HD2 . 15841 1 975 . 1 1 76 76 HIS HE1 H 1 8.08 . . 1 . . . . 76 HIS HE1 . 15841 1 976 . 1 1 76 76 HIS C C 13 173.8 . . 1 . . . . 76 HIS C . 15841 1 977 . 1 1 76 76 HIS CA C 13 55.7 . . 1 . . . . 76 HIS CA . 15841 1 978 . 1 1 76 76 HIS CB C 13 30.2 . . 1 . . . . 76 HIS CB . 15841 1 979 . 1 1 76 76 HIS CD2 C 13 119.8 . . 1 . . . . 76 HIS CD2 . 15841 1 980 . 1 1 76 76 HIS CE1 C 13 136.1 . . 1 . . . . 76 HIS CE1 . 15841 1 981 . 1 1 76 76 HIS N N 15 120.8 . . 1 . . . . 76 HIS N . 15841 1 982 . 1 1 77 77 HIS H H 1 8.10 . . 1 . . . . 77 HIS H . 15841 1 983 . 1 1 77 77 HIS HA H 1 4.61 . . 1 . . . . 77 HIS HA . 15841 1 984 . 1 1 77 77 HIS HB2 H 1 3.12 . . 2 . . . . 77 HIS HB2 . 15841 1 985 . 1 1 77 77 HIS HB3 H 1 3.11 . . 2 . . . . 77 HIS HB3 . 15841 1 986 . 1 1 77 77 HIS HD2 H 1 7.08 . . 1 . . . . 77 HIS HD2 . 15841 1 987 . 1 1 77 77 HIS HE1 H 1 8.08 . . 1 . . . . 77 HIS HE1 . 15841 1 988 . 1 1 77 77 HIS C C 13 180.0 . . 1 . . . . 77 HIS C . 15841 1 989 . 1 1 77 77 HIS CA C 13 56.4 . . 1 . . . . 77 HIS CA . 15841 1 990 . 1 1 77 77 HIS CB C 13 29.9 . . 1 . . . . 77 HIS CB . 15841 1 991 . 1 1 77 77 HIS CD2 C 13 119.8 . . 1 . . . . 77 HIS CD2 . 15841 1 992 . 1 1 77 77 HIS CE1 C 13 136.1 . . 1 . . . . 77 HIS CE1 . 15841 1 993 . 1 1 77 77 HIS N N 15 125.1 . . 1 . . . . 77 HIS N . 15841 1 994 . 1 1 78 78 HIS H H 1 8.25 . . 1 . . . . 78 HIS H . 15841 1 995 . 1 1 78 78 HIS HA H 1 4.62 . . 1 . . . . 78 HIS HA . 15841 1 996 . 1 1 78 78 HIS HB2 H 1 3.12 . . 2 . . . . 78 HIS HB2 . 15841 1 997 . 1 1 78 78 HIS HB3 H 1 3.11 . . 2 . . . . 78 HIS HB3 . 15841 1 998 . 1 1 78 78 HIS HD2 H 1 7.08 . . 1 . . . . 78 HIS HD2 . 15841 1 999 . 1 1 78 78 HIS HE1 H 1 8.08 . . 1 . . . . 78 HIS HE1 . 15841 1 1000 . 1 1 78 78 HIS C C 13 180.0 . . 1 . . . . 78 HIS C . 15841 1 1001 . 1 1 78 78 HIS CA C 13 56.4 . . 1 . . . . 78 HIS CA . 15841 1 1002 . 1 1 78 78 HIS CB C 13 29.9 . . 1 . . . . 78 HIS CB . 15841 1 1003 . 1 1 78 78 HIS CD2 C 13 119.8 . . 1 . . . . 78 HIS CD2 . 15841 1 1004 . 1 1 78 78 HIS CE1 C 13 136.1 . . 1 . . . . 78 HIS CE1 . 15841 1 1005 . 1 1 78 78 HIS N N 15 119.4 . . 1 . . . . 78 HIS N . 15841 1 1006 . 1 1 79 79 HIS H H 1 8.25 . . 1 . . . . 79 HIS H . 15841 1 1007 . 1 1 79 79 HIS HA H 1 4.62 . . 1 . . . . 79 HIS HA . 15841 1 1008 . 1 1 79 79 HIS HB2 H 1 3.12 . . 2 . . . . 79 HIS HB2 . 15841 1 1009 . 1 1 79 79 HIS HB3 H 1 3.11 . . 2 . . . . 79 HIS HB3 . 15841 1 1010 . 1 1 79 79 HIS HD2 H 1 7.08 . . 1 . . . . 79 HIS HD2 . 15841 1 1011 . 1 1 79 79 HIS HE1 H 1 8.08 . . 1 . . . . 79 HIS HE1 . 15841 1 1012 . 1 1 79 79 HIS C C 13 180.0 . . 1 . . . . 79 HIS C . 15841 1 1013 . 1 1 79 79 HIS CA C 13 56.4 . . 1 . . . . 79 HIS CA . 15841 1 1014 . 1 1 79 79 HIS CB C 13 29.9 . . 1 . . . . 79 HIS CB . 15841 1 1015 . 1 1 79 79 HIS CD2 C 13 119.8 . . 1 . . . . 79 HIS CD2 . 15841 1 1016 . 1 1 79 79 HIS CE1 C 13 136.1 . . 1 . . . . 79 HIS CE1 . 15841 1 1017 . 1 1 79 79 HIS N N 15 119.4 . . 1 . . . . 79 HIS N . 15841 1 1018 . 1 1 80 80 HIS H H 1 8.25 . . 1 . . . . 80 HIS H . 15841 1 1019 . 1 1 80 80 HIS HA H 1 4.62 . . 1 . . . . 80 HIS HA . 15841 1 1020 . 1 1 80 80 HIS HB2 H 1 3.12 . . 2 . . . . 80 HIS HB2 . 15841 1 1021 . 1 1 80 80 HIS HB3 H 1 3.11 . . 2 . . . . 80 HIS HB3 . 15841 1 1022 . 1 1 80 80 HIS HD2 H 1 7.08 . . 1 . . . . 80 HIS HD2 . 15841 1 1023 . 1 1 80 80 HIS HE1 H 1 8.08 . . 1 . . . . 80 HIS HE1 . 15841 1 1024 . 1 1 80 80 HIS C C 13 180.0 . . 1 . . . . 80 HIS C . 15841 1 1025 . 1 1 80 80 HIS CA C 13 56.4 . . 1 . . . . 80 HIS CA . 15841 1 1026 . 1 1 80 80 HIS CB C 13 29.9 . . 1 . . . . 80 HIS CB . 15841 1 1027 . 1 1 80 80 HIS CD2 C 13 119.8 . . 1 . . . . 80 HIS CD2 . 15841 1 1028 . 1 1 80 80 HIS CE1 C 13 136.1 . . 1 . . . . 80 HIS CE1 . 15841 1 1029 . 1 1 80 80 HIS N N 15 119.4 . . 1 . . . . 80 HIS N . 15841 1 1030 . 1 1 81 81 HIS H H 1 8.25 . . 1 . . . . 81 HIS H . 15841 1 1031 . 1 1 81 81 HIS HA H 1 4.62 . . 1 . . . . 81 HIS HA . 15841 1 1032 . 1 1 81 81 HIS HB2 H 1 3.12 . . 2 . . . . 81 HIS HB2 . 15841 1 1033 . 1 1 81 81 HIS HB3 H 1 3.11 . . 2 . . . . 81 HIS HB3 . 15841 1 1034 . 1 1 81 81 HIS HD2 H 1 7.08 . . 1 . . . . 81 HIS HD2 . 15841 1 1035 . 1 1 81 81 HIS HE1 H 1 8.08 . . 1 . . . . 81 HIS HE1 . 15841 1 1036 . 1 1 81 81 HIS CA C 13 56.4 . . 1 . . . . 81 HIS CA . 15841 1 1037 . 1 1 81 81 HIS CB C 13 29.9 . . 1 . . . . 81 HIS CB . 15841 1 1038 . 1 1 81 81 HIS CD2 C 13 119.8 . . 1 . . . . 81 HIS CD2 . 15841 1 1039 . 1 1 81 81 HIS CE1 C 13 136.1 . . 1 . . . . 81 HIS CE1 . 15841 1 1040 . 1 1 81 81 HIS N N 15 119.4 . . 1 . . . . 81 HIS N . 15841 1 stop_ save_