data_15679 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15679 _Entry.Title ; 3D NMR structure of domain cC0 of cardiac myosin bonding protein C (MyBP-C) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-10 _Entry.Accession_date 2008-03-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 Joyce Ratti . . . 15679 2 Mathias Gautel . . . 15679 3 Mark Pfuhl . . . 15679 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 1 'not applicable' 'not applicable' . 15679 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cardiac Muscle' . 15679 'Hypertrophic cardiomyopathy' . 15679 'Ig-I domain' . 15679 'Myosin Binding Protein C' . 15679 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15679 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 15679 '15N chemical shifts' 85 15679 '1H chemical shifts' 601 15679 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 3 . . 2014-05-16 2008-03-10 update BMRB 'update entry citation' 15679 2 . . 2010-06-02 2008-03-10 update BMRB 'edit assembly name' 15679 1 . . 2009-10-13 2008-03-10 original author 'original release' 15679 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K1M 'BMRB Entry Tracking System' 15679 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15679 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21297165 _Citation.Full_citation . _Citation.Title 'Structure and interactions of myosin-binding protein C domain C0: cardiac-specific regulation of myosin at its neck?' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 14 _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 12650 _Citation.Page_last 12658 _Citation.Year 2011 _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 Joyce Ratti . . . 15679 1 2 Elena Rostkova . . . 15679 1 3 Mathias Gautel . . . 15679 1 4 Mark Pfuhl . . . 15679 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15679 _Assembly.ID 1 _Assembly.Name MyBP-C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10160 _Assembly.Enzyme_commission_number . _Assembly.Details 'Ig-I domain cC0 of cardiac isoform of muscle protein Myosin Binding Protein C (MyBP-C)' _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 cC0_MyBPC 1 $cC0_MyBPC A . yes native no no . . . 15679 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cC0_MyBPC _Entity.Sf_category entity _Entity.Sf_framecode cC0_MyBPC _Entity.Entry_ID 15679 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cC0_MyBPC _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 ; PEPGKKPVSAFSKKPRSVEV AAGSPAVFEAETERAGVKVR WQRGGSDISASNKYGLATEG TRHTLTVREVGPADQGSYAV IAGSSKVKFDLKVIE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10045.401 _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 2K1M . "3d Nmr Structure Of Domain Cc0 Of Cardiac Myosin Binding Protein C (Mybpc)" . . . . . 100.00 95 100.00 100.00 2.91e-59 . . . . 15679 1 2 no GB ACH92817 . "mutant cardiac myosin-binding protein C [Homo sapiens]" . . . . . 100.00 365 100.00 100.00 5.69e-56 . . . . 15679 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 . PRO . 15679 1 2 . GLU . 15679 1 3 . PRO . 15679 1 4 . GLY . 15679 1 5 . LYS . 15679 1 6 . LYS . 15679 1 7 . PRO . 15679 1 8 . VAL . 15679 1 9 . SER . 15679 1 10 . ALA . 15679 1 11 . PHE . 15679 1 12 . SER . 15679 1 13 . LYS . 15679 1 14 . LYS . 15679 1 15 . PRO . 15679 1 16 . ARG . 15679 1 17 . SER . 15679 1 18 . VAL . 15679 1 19 . GLU . 15679 1 20 . VAL . 15679 1 21 . ALA . 15679 1 22 . ALA . 15679 1 23 . GLY . 15679 1 24 . SER . 15679 1 25 . PRO . 15679 1 26 . ALA . 15679 1 27 . VAL . 15679 1 28 . PHE . 15679 1 29 . GLU . 15679 1 30 . ALA . 15679 1 31 . GLU . 15679 1 32 . THR . 15679 1 33 . GLU . 15679 1 34 . ARG . 15679 1 35 . ALA . 15679 1 36 . GLY . 15679 1 37 . VAL . 15679 1 38 . LYS . 15679 1 39 . VAL . 15679 1 40 . ARG . 15679 1 41 . TRP . 15679 1 42 . GLN . 15679 1 43 . ARG . 15679 1 44 . GLY . 15679 1 45 . GLY . 15679 1 46 . SER . 15679 1 47 . ASP . 15679 1 48 . ILE . 15679 1 49 . SER . 15679 1 50 . ALA . 15679 1 51 . SER . 15679 1 52 . ASN . 15679 1 53 . LYS . 15679 1 54 . TYR . 15679 1 55 . GLY . 15679 1 56 . LEU . 15679 1 57 . ALA . 15679 1 58 . THR . 15679 1 59 . GLU . 15679 1 60 . GLY . 15679 1 61 . THR . 15679 1 62 . ARG . 15679 1 63 . HIS . 15679 1 64 . THR . 15679 1 65 . LEU . 15679 1 66 . THR . 15679 1 67 . VAL . 15679 1 68 . ARG . 15679 1 69 . GLU . 15679 1 70 . VAL . 15679 1 71 . GLY . 15679 1 72 . PRO . 15679 1 73 . ALA . 15679 1 74 . ASP . 15679 1 75 . GLN . 15679 1 76 . GLY . 15679 1 77 . SER . 15679 1 78 . TYR . 15679 1 79 . ALA . 15679 1 80 . VAL . 15679 1 81 . ILE . 15679 1 82 . ALA . 15679 1 83 . GLY . 15679 1 84 . SER . 15679 1 85 . SER . 15679 1 86 . LYS . 15679 1 87 . VAL . 15679 1 88 . LYS . 15679 1 89 . PHE . 15679 1 90 . ASP . 15679 1 91 . LEU . 15679 1 92 . LYS . 15679 1 93 . VAL . 15679 1 94 . ILE . 15679 1 95 . GLU . 15679 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 . PRO 1 1 15679 1 . GLU 2 2 15679 1 . PRO 3 3 15679 1 . GLY 4 4 15679 1 . LYS 5 5 15679 1 . LYS 6 6 15679 1 . PRO 7 7 15679 1 . VAL 8 8 15679 1 . SER 9 9 15679 1 . ALA 10 10 15679 1 . PHE 11 11 15679 1 . SER 12 12 15679 1 . LYS 13 13 15679 1 . LYS 14 14 15679 1 . PRO 15 15 15679 1 . ARG 16 16 15679 1 . SER 17 17 15679 1 . VAL 18 18 15679 1 . GLU 19 19 15679 1 . VAL 20 20 15679 1 . ALA 21 21 15679 1 . ALA 22 22 15679 1 . GLY 23 23 15679 1 . SER 24 24 15679 1 . PRO 25 25 15679 1 . ALA 26 26 15679 1 . VAL 27 27 15679 1 . PHE 28 28 15679 1 . GLU 29 29 15679 1 . ALA 30 30 15679 1 . GLU 31 31 15679 1 . THR 32 32 15679 1 . GLU 33 33 15679 1 . ARG 34 34 15679 1 . ALA 35 35 15679 1 . GLY 36 36 15679 1 . VAL 37 37 15679 1 . LYS 38 38 15679 1 . VAL 39 39 15679 1 . ARG 40 40 15679 1 . TRP 41 41 15679 1 . GLN 42 42 15679 1 . ARG 43 43 15679 1 . GLY 44 44 15679 1 . GLY 45 45 15679 1 . SER 46 46 15679 1 . ASP 47 47 15679 1 . ILE 48 48 15679 1 . SER 49 49 15679 1 . ALA 50 50 15679 1 . SER 51 51 15679 1 . ASN 52 52 15679 1 . LYS 53 53 15679 1 . TYR 54 54 15679 1 . GLY 55 55 15679 1 . LEU 56 56 15679 1 . ALA 57 57 15679 1 . THR 58 58 15679 1 . GLU 59 59 15679 1 . GLY 60 60 15679 1 . THR 61 61 15679 1 . ARG 62 62 15679 1 . HIS 63 63 15679 1 . THR 64 64 15679 1 . LEU 65 65 15679 1 . THR 66 66 15679 1 . VAL 67 67 15679 1 . ARG 68 68 15679 1 . GLU 69 69 15679 1 . VAL 70 70 15679 1 . GLY 71 71 15679 1 . PRO 72 72 15679 1 . ALA 73 73 15679 1 . ASP 74 74 15679 1 . GLN 75 75 15679 1 . GLY 76 76 15679 1 . SER 77 77 15679 1 . TYR 78 78 15679 1 . ALA 79 79 15679 1 . VAL 80 80 15679 1 . ILE 81 81 15679 1 . ALA 82 82 15679 1 . GLY 83 83 15679 1 . SER 84 84 15679 1 . SER 85 85 15679 1 . LYS 86 86 15679 1 . VAL 87 87 15679 1 . LYS 88 88 15679 1 . PHE 89 89 15679 1 . ASP 90 90 15679 1 . LEU 91 91 15679 1 . LYS 92 92 15679 1 . VAL 93 93 15679 1 . ILE 94 94 15679 1 . GLU 95 95 15679 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 15679 _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 $cC0_MyBPC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . MYBPC3 . . . . 15679 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 15679 _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 $cC0_MyBPC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 star' . . . . . . . . . . . . . . . pET-8C . . . . . . 15679 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_cC0_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode cC0_13C_15N _Sample.Entry_ID 15679 _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 cC0_MyBPC '[U-95% 13C; U-95% 15N]' . . 1 $cC0_MyBPC . . 1-1.5 . . mM 0.2 . . . 15679 1 2 D2O [U-2H] . . . . . . 55.5 . . M . . . . 15679 1 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 15679 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15679 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15679 1 stop_ save_ save_cC0_15N _Sample.Sf_category sample _Sample.Sf_framecode cC0_15N _Sample.Entry_ID 15679 _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 cC0_MyBPC '[U-95% 15N]' . . 1 $cC0_MyBPC . . 1-1.5 . . mM 0.2 . . . 15679 2 2 H2O 'natural abundance' . . . . . . 55.5 . . M . . . . 15679 2 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 15679 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15679 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15679 2 stop_ save_ save_cC0 _Sample.Sf_category sample _Sample.Sf_framecode cC0 _Sample.Entry_ID 15679 _Sample.ID 3 _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 cC0_MyBPC 'natural abundance' . . 1 $cC0_MyBPC . . 1-1.5 . . mM 0.2 . . . 15679 3 2 H2O 'natural abundance' . . . . . . 55.5 . . M . . . . 15679 3 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 15679 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15679 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15679 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15679 _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' 185 . mM 15679 1 pH 7 . pH 15679 1 pressure 1 . atm 15679 1 temperature 303 . K 15679 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15679 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15679 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15679 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15679 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15679 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angles' 15679 2 stop_ save_ save_CCPNMR-_analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR-_analysis _Software.Entry_ID 15679 _Software.ID 3 _Software.Name ANALYSIS _Software.Version '1.0 release 15' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wim F. Vranken, Wayne Boucher, Tim J. Stevens, Rasmus H. Fogh' . . 15679 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15679 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_800 _NMR_spectrometer.Entry_ID 15679 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 15679 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15679 _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_800 Bruker Avance . 800 . . . 15679 1 2 spectrometer_600 Bruker Avance . 600 . . . 15679 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 15679 _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 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $cC0_13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 15679 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $cC0_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_600 . . . . . . . . . . . . . . . . 15679 1 3 '3D HNCACB' no . . . . . . . . . . 1 $cC0_13C_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_600 . . . . . . . . . . . . . . . . 15679 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $cC0_13C_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_600 . . . . . . . . . . . . . . . . 15679 1 5 '3D HNCO' no . . . . . . . . . . 1 $cC0_13C_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_600 . . . . . . . . . . . . . . . . 15679 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $cC0_13C_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_600 . . . . . . . . . . . . . . . . 15679 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $cC0 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 15679 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $cC0_13C_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_600 . . . . . . . . . . . . . . . . 15679 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $cC0_13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 15679 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $cC0_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_800 . . . . . . . . . . . . . . . . 15679 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 15679 _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 0.0 external indirect 0.251449519 'insert at center of experimental sample tube' cylindrical parallel . . . . . . 15679 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 'insert at center of experimental sample tube' cylindrical parallel . . . . . . 15679 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329112 'insert at center of experimental sample tube' cylindrical parallel . . . . . . 15679 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 15679 _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 '3D 1H-13C NOESY' . . . 15679 1 2 '2D 1H-15N HSQC' . . . 15679 1 3 '3D HNCACB' . . . 15679 1 4 '3D CBCA(CO)NH' . . . 15679 1 5 '3D HNCO' . . . 15679 1 6 '3D HN(CO)CA' . . . 15679 1 7 '2D 1H-1H NOESY' . . . 15679 1 8 '2D 1H-13C HSQC' . . . 15679 1 9 '3D HCCH-TOCSY' . . . 15679 1 10 '3D 1H-15N NOESY' . . . 15679 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 3 $CCPNMR-_analysis . . 15679 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.235 0.02 . 1 . . . . 3 PRO HA . 15679 1 2 . 1 1 3 3 PRO HB2 H 1 2.196 0.02 . 1 . . . . 3 PRO HB2 . 15679 1 3 . 1 1 3 3 PRO HB3 H 1 1.852 0.02 . 1 . . . . 3 PRO HB3 . 15679 1 4 . 1 1 3 3 PRO HD2 H 1 3.731 0.02 . 1 . . . . 3 PRO HD2 . 15679 1 5 . 1 1 3 3 PRO HD3 H 1 3.608 0.02 . 1 . . . . 3 PRO HD3 . 15679 1 6 . 1 1 3 3 PRO HG2 H 1 1.931 0.02 . 1 . . . . 3 PRO HG2 . 15679 1 7 . 1 1 3 3 PRO HG3 H 1 1.931 0.02 . 1 . . . . 3 PRO HG3 . 15679 1 8 . 1 1 3 3 PRO CA C 13 63.375 0.062 . 1 . . . . 3 PRO CA . 15679 1 9 . 1 1 3 3 PRO CB C 13 31.835 0.05 . 1 . . . . 3 PRO CB . 15679 1 10 . 1 1 3 3 PRO CG C 13 27.043 0.05 . 1 . . . . 3 PRO CG . 15679 1 11 . 1 1 4 4 GLY H H 1 8.439 0.008 . 1 . . . . 4 GLY H . 15679 1 12 . 1 1 4 4 GLY HA2 H 1 3.854 0.037 . 1 . . . . 4 GLY HA2 . 15679 1 13 . 1 1 4 4 GLY HA3 H 1 3.819 0.02 . 1 . . . . 4 GLY HA3 . 15679 1 14 . 1 1 4 4 GLY CA C 13 45.043 0.030 . 1 . . . . 4 GLY CA . 15679 1 15 . 1 1 4 4 GLY N N 15 108.904 0.059 . 1 . . . . 4 GLY N . 15679 1 16 . 1 1 5 5 LYS H H 1 7.974 0.019 . 1 . . . . 5 LYS H . 15679 1 17 . 1 1 5 5 LYS HA H 1 4.265 0.027 . 1 . . . . 5 LYS HA . 15679 1 18 . 1 1 5 5 LYS HB2 H 1 1.638 0.02 . 2 . . . . 5 LYS HB2 . 15679 1 19 . 1 1 5 5 LYS HB3 H 1 1.724 0.02 . 2 . . . . 5 LYS HB3 . 15679 1 20 . 1 1 5 5 LYS HD2 H 1 1.613 0.02 . 1 . . . . 5 LYS HD2 . 15679 1 21 . 1 1 5 5 LYS HD3 H 1 1.613 0.02 . 1 . . . . 5 LYS HD3 . 15679 1 22 . 1 1 5 5 LYS HE2 H 1 2.900 0.02 . 1 . . . . 5 LYS HE2 . 15679 1 23 . 1 1 5 5 LYS HE3 H 1 2.900 0.02 . 1 . . . . 5 LYS HE3 . 15679 1 24 . 1 1 5 5 LYS HG2 H 1 1.280 0.02 . 2 . . . . 5 LYS HG2 . 15679 1 25 . 1 1 5 5 LYS HG3 H 1 1.327 0.038 . 1 . . . . 5 LYS HG3 . 15679 1 26 . 1 1 5 5 LYS CA C 13 55.709 0.050 . 1 . . . . 5 LYS CA . 15679 1 27 . 1 1 5 5 LYS CB C 13 33.081 0.036 . 1 . . . . 5 LYS CB . 15679 1 28 . 1 1 5 5 LYS CD C 13 28.328 0.05 . 1 . . . . 5 LYS CD . 15679 1 29 . 1 1 5 5 LYS CE C 13 41.719 0.05 . 1 . . . . 5 LYS CE . 15679 1 30 . 1 1 5 5 LYS CG C 13 25.020 0.05 . 1 . . . . 5 LYS CG . 15679 1 31 . 1 1 5 5 LYS N N 15 120.616 0.082 . 1 . . . . 5 LYS N . 15679 1 32 . 1 1 6 6 LYS H H 1 8.291 0.011 . 1 . . . . 6 LYS H . 15679 1 33 . 1 1 6 6 LYS HA H 1 4.505 0.022 . 1 . . . . 6 LYS HA . 15679 1 34 . 1 1 6 6 LYS HB2 H 1 1.651 0.043 . 1 . . . . 6 LYS HB2 . 15679 1 35 . 1 1 6 6 LYS HB3 H 1 1.662 0.045 . 1 . . . . 6 LYS HB3 . 15679 1 36 . 1 1 6 6 LYS CA C 13 54.105 0.039 . 1 . . . . 6 LYS CA . 15679 1 37 . 1 1 6 6 LYS CB C 13 32.381 0.035 . 1 . . . . 6 LYS CB . 15679 1 38 . 1 1 6 6 LYS N N 15 124.267 0.056 . 1 . . . . 6 LYS N . 15679 1 39 . 1 1 7 7 PRO HA H 1 4.371 0.003 . 1 . . . . 7 PRO HA . 15679 1 40 . 1 1 7 7 PRO HB2 H 1 1.793 0.003 . 1 . . . . 7 PRO HB2 . 15679 1 41 . 1 1 7 7 PRO HB3 H 1 2.178 0.005 . 1 . . . . 7 PRO HB3 . 15679 1 42 . 1 1 7 7 PRO HD2 H 1 3.561 0.02 . 2 . . . . 7 PRO HD2 . 15679 1 43 . 1 1 7 7 PRO HD3 H 1 3.731 0.02 . 2 . . . . 7 PRO HD3 . 15679 1 44 . 1 1 7 7 PRO HG2 H 1 1.916 0.008 . 1 . . . . 7 PRO HG2 . 15679 1 45 . 1 1 7 7 PRO HG3 H 1 1.913 0.02 . 1 . . . . 7 PRO HG3 . 15679 1 46 . 1 1 7 7 PRO CA C 13 62.738 0.036 . 1 . . . . 7 PRO CA . 15679 1 47 . 1 1 7 7 PRO CB C 13 31.942 0.05 . 1 . . . . 7 PRO CB . 15679 1 48 . 1 1 7 7 PRO CD C 13 50.178 0.05 . 1 . . . . 7 PRO CD . 15679 1 49 . 1 1 7 7 PRO CG C 13 27.191 0.05 . 1 . . . . 7 PRO CG . 15679 1 50 . 1 1 8 8 VAL H H 1 8.244 0.014 . 1 . . . . 8 VAL H . 15679 1 51 . 1 1 8 8 VAL HA H 1 4.012 0.022 . 1 . . . . 8 VAL HA . 15679 1 52 . 1 1 8 8 VAL HB H 1 1.956 0.020 . 1 . . . . 8 VAL HB . 15679 1 53 . 1 1 8 8 VAL HG11 H 1 0.847 0.025 . 1 . . . . 8 VAL HG11 . 15679 1 54 . 1 1 8 8 VAL HG12 H 1 0.847 0.025 . 1 . . . . 8 VAL HG12 . 15679 1 55 . 1 1 8 8 VAL HG13 H 1 0.847 0.025 . 1 . . . . 8 VAL HG13 . 15679 1 56 . 1 1 8 8 VAL HG21 H 1 0.837 0.02 . 1 . . . . 8 VAL HG21 . 15679 1 57 . 1 1 8 8 VAL HG22 H 1 0.837 0.02 . 1 . . . . 8 VAL HG22 . 15679 1 58 . 1 1 8 8 VAL HG23 H 1 0.837 0.02 . 1 . . . . 8 VAL HG23 . 15679 1 59 . 1 1 8 8 VAL CA C 13 61.883 0.047 . 1 . . . . 8 VAL CA . 15679 1 60 . 1 1 8 8 VAL CB C 13 32.743 0.073 . 1 . . . . 8 VAL CB . 15679 1 61 . 1 1 8 8 VAL CG1 C 13 20.005 0.05 . 1 . . . . 8 VAL CG1 . 15679 1 62 . 1 1 8 8 VAL CG2 C 13 20.005 0.05 . 1 . . . . 8 VAL CG2 . 15679 1 63 . 1 1 8 8 VAL N N 15 120.593 0.060 . 1 . . . . 8 VAL N . 15679 1 64 . 1 1 9 9 SER H H 1 8.296 0.008 . 1 . . . . 9 SER H . 15679 1 65 . 1 1 9 9 SER HA H 1 4.315 0.025 . 1 . . . . 9 SER HA . 15679 1 66 . 1 1 9 9 SER HB2 H 1 3.682 0.025 . 2 . . . . 9 SER HB2 . 15679 1 67 . 1 1 9 9 SER HB3 H 1 3.874 0.029 . 2 . . . . 9 SER HB3 . 15679 1 68 . 1 1 9 9 SER CA C 13 57.429 0.052 . 1 . . . . 9 SER CA . 15679 1 69 . 1 1 9 9 SER CB C 13 63.804 0.095 . 1 . . . . 9 SER CB . 15679 1 70 . 1 1 9 9 SER N N 15 118.557 0.079 . 1 . . . . 9 SER N . 15679 1 71 . 1 1 10 10 ALA H H 1 8.214 0.009 . 1 . . . . 10 ALA H . 15679 1 72 . 1 1 10 10 ALA HA H 1 4.069 0.029 . 1 . . . . 10 ALA HA . 15679 1 73 . 1 1 10 10 ALA HB1 H 1 0.948 0.022 . 1 . . . . 10 ALA HB1 . 15679 1 74 . 1 1 10 10 ALA HB2 H 1 0.948 0.022 . 1 . . . . 10 ALA HB2 . 15679 1 75 . 1 1 10 10 ALA HB3 H 1 0.948 0.022 . 1 . . . . 10 ALA HB3 . 15679 1 76 . 1 1 10 10 ALA CA C 13 53.042 0.042 . 1 . . . . 10 ALA CA . 15679 1 77 . 1 1 10 10 ALA CB C 13 19.919 0.107 . 1 . . . . 10 ALA CB . 15679 1 78 . 1 1 10 10 ALA N N 15 125.277 0.021 . 1 . . . . 10 ALA N . 15679 1 79 . 1 1 11 11 PHE H H 1 8.238 0.010 . 1 . . . . 11 PHE H . 15679 1 80 . 1 1 11 11 PHE HA H 1 4.816 0.022 . 1 . . . . 11 PHE HA . 15679 1 81 . 1 1 11 11 PHE HB2 H 1 2.608 0.024 . 1 . . . . 11 PHE HB2 . 15679 1 82 . 1 1 11 11 PHE HB3 H 1 2.827 0.024 . 1 . . . . 11 PHE HB3 . 15679 1 83 . 1 1 11 11 PHE HD1 H 1 6.982 0.006 . 3 . . . . 11 PHE HD1 . 15679 1 84 . 1 1 11 11 PHE HD2 H 1 6.982 0.006 . 3 . . . . 11 PHE HD2 . 15679 1 85 . 1 1 11 11 PHE HE1 H 1 6.675 0.025 . 3 . . . . 11 PHE HE1 . 15679 1 86 . 1 1 11 11 PHE HE2 H 1 6.675 0.025 . 3 . . . . 11 PHE HE2 . 15679 1 87 . 1 1 11 11 PHE HZ H 1 6.608 0.004 . 1 . . . . 11 PHE HZ . 15679 1 88 . 1 1 11 11 PHE CA C 13 57.727 0.051 . 1 . . . . 11 PHE CA . 15679 1 89 . 1 1 11 11 PHE CB C 13 39.854 0.179 . 1 . . . . 11 PHE CB . 15679 1 90 . 1 1 11 11 PHE CD1 C 13 131.338 0.110 . 3 . . . . 11 PHE CD1 . 15679 1 91 . 1 1 11 11 PHE CD2 C 13 131.338 0.110 . 3 . . . . 11 PHE CD2 . 15679 1 92 . 1 1 11 11 PHE CE1 C 13 130.933 0.167 . 3 . . . . 11 PHE CE1 . 15679 1 93 . 1 1 11 11 PHE CE2 C 13 130.933 0.167 . 3 . . . . 11 PHE CE2 . 15679 1 94 . 1 1 11 11 PHE N N 15 114.771 0.037 . 1 . . . . 11 PHE N . 15679 1 95 . 1 1 12 12 SER H H 1 8.809 0.014 . 1 . . . . 12 SER H . 15679 1 96 . 1 1 12 12 SER HA H 1 4.395 0.023 . 1 . . . . 12 SER HA . 15679 1 97 . 1 1 12 12 SER HB2 H 1 3.510 0.026 . 2 . . . . 12 SER HB2 . 15679 1 98 . 1 1 12 12 SER HB3 H 1 3.747 0.029 . 2 . . . . 12 SER HB3 . 15679 1 99 . 1 1 12 12 SER CA C 13 58.641 0.053 . 1 . . . . 12 SER CA . 15679 1 100 . 1 1 12 12 SER CB C 13 63.274 0.037 . 1 . . . . 12 SER CB . 15679 1 101 . 1 1 12 12 SER N N 15 119.399 0.051 . 1 . . . . 12 SER N . 15679 1 102 . 1 1 13 13 LYS H H 1 7.884 0.013 . 1 . . . . 13 LYS H . 15679 1 103 . 1 1 13 13 LYS HA H 1 4.575 0.041 . 1 . . . . 13 LYS HA . 15679 1 104 . 1 1 13 13 LYS HB2 H 1 1.654 0.023 . 1 . . . . 13 LYS HB2 . 15679 1 105 . 1 1 13 13 LYS HB3 H 1 1.653 0.022 . 1 . . . . 13 LYS HB3 . 15679 1 106 . 1 1 13 13 LYS HD2 H 1 1.489 0.02 . 2 . . . . 13 LYS HD2 . 15679 1 107 . 1 1 13 13 LYS HD3 H 1 1.543 0.02 . 2 . . . . 13 LYS HD3 . 15679 1 108 . 1 1 13 13 LYS HE2 H 1 2.843 0.02 . 1 . . . . 13 LYS HE2 . 15679 1 109 . 1 1 13 13 LYS HE3 H 1 2.843 0.02 . 1 . . . . 13 LYS HE3 . 15679 1 110 . 1 1 13 13 LYS HG2 H 1 1.249 0.02 . 2 . . . . 13 LYS HG2 . 15679 1 111 . 1 1 13 13 LYS HG3 H 1 1.358 0.02 . 2 . . . . 13 LYS HG3 . 15679 1 112 . 1 1 13 13 LYS CA C 13 56.362 0.074 . 1 . . . . 13 LYS CA . 15679 1 113 . 1 1 13 13 LYS CB C 13 35.664 0.073 . 1 . . . . 13 LYS CB . 15679 1 114 . 1 1 13 13 LYS N N 15 121.565 0.058 . 1 . . . . 13 LYS N . 15679 1 115 . 1 1 14 14 LYS H H 1 8.744 0.006 . 1 . . . . 14 LYS H . 15679 1 116 . 1 1 14 14 LYS HA H 1 4.313 0.023 . 1 . . . . 14 LYS HA . 15679 1 117 . 1 1 14 14 LYS HB2 H 1 1.578 0.024 . 1 . . . . 14 LYS HB2 . 15679 1 118 . 1 1 14 14 LYS HB3 H 1 1.578 0.024 . 1 . . . . 14 LYS HB3 . 15679 1 119 . 1 1 14 14 LYS HD2 H 1 1.619 0.02 . 2 . . . . 14 LYS HD2 . 15679 1 120 . 1 1 14 14 LYS HD3 H 1 1.671 0.02 . 2 . . . . 14 LYS HD3 . 15679 1 121 . 1 1 14 14 LYS HG2 H 1 1.029 0.02 . 2 . . . . 14 LYS HG2 . 15679 1 122 . 1 1 14 14 LYS HG3 H 1 1.368 0.02 . 2 . . . . 14 LYS HG3 . 15679 1 123 . 1 1 14 14 LYS CA C 13 53.374 0.060 . 1 . . . . 14 LYS CA . 15679 1 124 . 1 1 14 14 LYS CB C 13 32.741 0.057 . 1 . . . . 14 LYS CB . 15679 1 125 . 1 1 14 14 LYS CD C 13 29.184 0.05 . 1 . . . . 14 LYS CD . 15679 1 126 . 1 1 14 14 LYS CG C 13 25.400 0.05 . 1 . . . . 14 LYS CG . 15679 1 127 . 1 1 14 14 LYS N N 15 125.096 0.069 . 1 . . . . 14 LYS N . 15679 1 128 . 1 1 15 15 PRO HA H 1 4.693 0.010 . 1 . . . . 15 PRO HA . 15679 1 129 . 1 1 15 15 PRO HB2 H 1 1.584 0.02 . 1 . . . . 15 PRO HB2 . 15679 1 130 . 1 1 15 15 PRO HB3 H 1 0.833 0.024 . 1 . . . . 15 PRO HB3 . 15679 1 131 . 1 1 15 15 PRO HD2 H 1 3.086 0.02 . 1 . . . . 15 PRO HD2 . 15679 1 132 . 1 1 15 15 PRO HD3 H 1 2.915 0.02 . 1 . . . . 15 PRO HD3 . 15679 1 133 . 1 1 15 15 PRO HG2 H 1 1.458 0.005 . 1 . . . . 15 PRO HG2 . 15679 1 134 . 1 1 15 15 PRO HG3 H 1 1.446 0.02 . 1 . . . . 15 PRO HG3 . 15679 1 135 . 1 1 15 15 PRO CA C 13 62.248 0.139 . 1 . . . . 15 PRO CA . 15679 1 136 . 1 1 15 15 PRO CB C 13 31.343 0.05 . 1 . . . . 15 PRO CB . 15679 1 137 . 1 1 15 15 PRO CD C 13 49.521 0.05 . 1 . . . . 15 PRO CD . 15679 1 138 . 1 1 15 15 PRO CG C 13 27.823 0.05 . 1 . . . . 15 PRO CG . 15679 1 139 . 1 1 16 16 ARG H H 1 8.118 0.016 . 1 . . . . 16 ARG H . 15679 1 140 . 1 1 16 16 ARG HA H 1 4.592 0.024 . 1 . . . . 16 ARG HA . 15679 1 141 . 1 1 16 16 ARG HB2 H 1 1.966 0.005 . 1 . . . . 16 ARG HB2 . 15679 1 142 . 1 1 16 16 ARG HB3 H 1 1.966 0.005 . 1 . . . . 16 ARG HB3 . 15679 1 143 . 1 1 16 16 ARG HD2 H 1 3.189 0.02 . 1 . . . . 16 ARG HD2 . 15679 1 144 . 1 1 16 16 ARG HD3 H 1 3.189 0.02 . 1 . . . . 16 ARG HD3 . 15679 1 145 . 1 1 16 16 ARG HG2 H 1 1.697 0.02 . 1 . . . . 16 ARG HG2 . 15679 1 146 . 1 1 16 16 ARG HG3 H 1 1.697 0.02 . 1 . . . . 16 ARG HG3 . 15679 1 147 . 1 1 16 16 ARG CA C 13 53.951 0.046 . 1 . . . . 16 ARG CA . 15679 1 148 . 1 1 16 16 ARG CB C 13 32.456 0.014 . 1 . . . . 16 ARG CB . 15679 1 149 . 1 1 16 16 ARG CD C 13 43.269 0.05 . 1 . . . . 16 ARG CD . 15679 1 150 . 1 1 16 16 ARG CG C 13 27.018 0.05 . 1 . . . . 16 ARG CG . 15679 1 151 . 1 1 16 16 ARG N N 15 119.622 0.015 . 1 . . . . 16 ARG N . 15679 1 152 . 1 1 17 17 SER H H 1 8.511 0.009 . 1 . . . . 17 SER H . 15679 1 153 . 1 1 17 17 SER HA H 1 5.281 0.025 . 1 . . . . 17 SER HA . 15679 1 154 . 1 1 17 17 SER HB2 H 1 4.304 0.002 . 1 . . . . 17 SER HB2 . 15679 1 155 . 1 1 17 17 SER HB3 H 1 4.238 0.02 . 2 . . . . 17 SER HB3 . 15679 1 156 . 1 1 17 17 SER CA C 13 59.888 0.057 . 1 . . . . 17 SER CA . 15679 1 157 . 1 1 17 17 SER CB C 13 63.405 0.055 . 1 . . . . 17 SER CB . 15679 1 158 . 1 1 17 17 SER N N 15 117.935 0.059 . 1 . . . . 17 SER N . 15679 1 159 . 1 1 18 18 VAL H H 1 8.389 0.011 . 1 . . . . 18 VAL H . 15679 1 160 . 1 1 18 18 VAL HA H 1 4.660 0.023 . 1 . . . . 18 VAL HA . 15679 1 161 . 1 1 18 18 VAL HB H 1 1.942 0.048 . 1 . . . . 18 VAL HB . 15679 1 162 . 1 1 18 18 VAL HG11 H 1 0.781 0.029 . 1 . . . . 18 VAL HG11 . 15679 1 163 . 1 1 18 18 VAL HG12 H 1 0.781 0.029 . 1 . . . . 18 VAL HG12 . 15679 1 164 . 1 1 18 18 VAL HG13 H 1 0.781 0.029 . 1 . . . . 18 VAL HG13 . 15679 1 165 . 1 1 18 18 VAL HG21 H 1 0.787 0.028 . 1 . . . . 18 VAL HG21 . 15679 1 166 . 1 1 18 18 VAL HG22 H 1 0.787 0.028 . 1 . . . . 18 VAL HG22 . 15679 1 167 . 1 1 18 18 VAL HG23 H 1 0.787 0.028 . 1 . . . . 18 VAL HG23 . 15679 1 168 . 1 1 18 18 VAL CA C 13 60.004 0.073 . 1 . . . . 18 VAL CA . 15679 1 169 . 1 1 18 18 VAL CB C 13 36.675 0.032 . 1 . . . . 18 VAL CB . 15679 1 170 . 1 1 18 18 VAL CG1 C 13 21.498 0.05 . 1 . . . . 18 VAL CG1 . 15679 1 171 . 1 1 18 18 VAL CG2 C 13 21.498 0.05 . 1 . . . . 18 VAL CG2 . 15679 1 172 . 1 1 18 18 VAL N N 15 117.416 0.060 . 1 . . . . 18 VAL N . 15679 1 173 . 1 1 19 19 GLU H H 1 8.190 0.013 . 1 . . . . 19 GLU H . 15679 1 174 . 1 1 19 19 GLU HA H 1 5.351 0.021 . 1 . . . . 19 GLU HA . 15679 1 175 . 1 1 19 19 GLU HB2 H 1 1.790 0.02 . 1 . . . . 19 GLU HB2 . 15679 1 176 . 1 1 19 19 GLU HB3 H 1 1.710 0.02 . 1 . . . . 19 GLU HB3 . 15679 1 177 . 1 1 19 19 GLU HG2 H 1 1.923 0.02 . 2 . . . . 19 GLU HG2 . 15679 1 178 . 1 1 19 19 GLU HG3 H 1 1.978 0.02 . 2 . . . . 19 GLU HG3 . 15679 1 179 . 1 1 19 19 GLU CA C 13 54.138 0.032 . 1 . . . . 19 GLU CA . 15679 1 180 . 1 1 19 19 GLU CB C 13 31.658 0.119 . 1 . . . . 19 GLU CB . 15679 1 181 . 1 1 19 19 GLU N N 15 124.652 0.062 . 1 . . . . 19 GLU N . 15679 1 182 . 1 1 20 20 VAL H H 1 8.616 0.012 . 1 . . . . 20 VAL H . 15679 1 183 . 1 1 20 20 VAL HA H 1 4.491 0.020 . 1 . . . . 20 VAL HA . 15679 1 184 . 1 1 20 20 VAL HB H 1 1.846 0.023 . 1 . . . . 20 VAL HB . 15679 1 185 . 1 1 20 20 VAL HG11 H 1 0.653 0.02 . 2 . . . . 20 VAL HG11 . 15679 1 186 . 1 1 20 20 VAL HG12 H 1 0.653 0.02 . 2 . . . . 20 VAL HG12 . 15679 1 187 . 1 1 20 20 VAL HG13 H 1 0.653 0.02 . 2 . . . . 20 VAL HG13 . 15679 1 188 . 1 1 20 20 VAL HG21 H 1 0.745 0.02 . 2 . . . . 20 VAL HG21 . 15679 1 189 . 1 1 20 20 VAL HG22 H 1 0.745 0.02 . 2 . . . . 20 VAL HG22 . 15679 1 190 . 1 1 20 20 VAL HG23 H 1 0.745 0.02 . 2 . . . . 20 VAL HG23 . 15679 1 191 . 1 1 20 20 VAL CA C 13 59.013 0.051 . 1 . . . . 20 VAL CA . 15679 1 192 . 1 1 20 20 VAL CB C 13 36.048 0.046 . 1 . . . . 20 VAL CB . 15679 1 193 . 1 1 20 20 VAL CG1 C 13 21.605 0.05 . 1 . . . . 20 VAL CG1 . 15679 1 194 . 1 1 20 20 VAL CG2 C 13 20.411 0.05 . 1 . . . . 20 VAL CG2 . 15679 1 195 . 1 1 20 20 VAL N N 15 120.245 0.004 . 1 . . . . 20 VAL N . 15679 1 196 . 1 1 21 21 ALA H H 1 8.375 0.014 . 1 . . . . 21 ALA H . 15679 1 197 . 1 1 21 21 ALA HA H 1 4.364 0.025 . 1 . . . . 21 ALA HA . 15679 1 198 . 1 1 21 21 ALA HB1 H 1 1.275 0.034 . 1 . . . . 21 ALA HB1 . 15679 1 199 . 1 1 21 21 ALA HB2 H 1 1.275 0.034 . 1 . . . . 21 ALA HB2 . 15679 1 200 . 1 1 21 21 ALA HB3 H 1 1.275 0.034 . 1 . . . . 21 ALA HB3 . 15679 1 201 . 1 1 21 21 ALA CA C 13 51.307 0.047 . 1 . . . . 21 ALA CA . 15679 1 202 . 1 1 21 21 ALA CB C 13 18.726 0.057 . 1 . . . . 21 ALA CB . 15679 1 203 . 1 1 21 21 ALA N N 15 126.173 0.053 . 1 . . . . 21 ALA N . 15679 1 204 . 1 1 22 22 ALA H H 1 8.287 0.013 . 1 . . . . 22 ALA H . 15679 1 205 . 1 1 22 22 ALA HA H 1 3.899 0.023 . 1 . . . . 22 ALA HA . 15679 1 206 . 1 1 22 22 ALA HB1 H 1 1.284 0.019 . 1 . . . . 22 ALA HB1 . 15679 1 207 . 1 1 22 22 ALA HB2 H 1 1.284 0.019 . 1 . . . . 22 ALA HB2 . 15679 1 208 . 1 1 22 22 ALA HB3 H 1 1.284 0.019 . 1 . . . . 22 ALA HB3 . 15679 1 209 . 1 1 22 22 ALA CA C 13 53.104 0.050 . 1 . . . . 22 ALA CA . 15679 1 210 . 1 1 22 22 ALA CB C 13 17.631 0.044 . 1 . . . . 22 ALA CB . 15679 1 211 . 1 1 22 22 ALA N N 15 123.045 0.05 . 1 . . . . 22 ALA N . 15679 1 212 . 1 1 23 23 GLY H H 1 9.862 0.012 . 1 . . . . 23 GLY H . 15679 1 213 . 1 1 23 23 GLY HA2 H 1 3.255 0.026 . 1 . . . . 23 GLY HA2 . 15679 1 214 . 1 1 23 23 GLY HA3 H 1 4.371 0.024 . 1 . . . . 23 GLY HA3 . 15679 1 215 . 1 1 23 23 GLY CA C 13 44.741 0.047 . 1 . . . . 23 GLY CA . 15679 1 216 . 1 1 23 23 GLY N N 15 112.047 0.055 . 1 . . . . 23 GLY N . 15679 1 217 . 1 1 24 24 SER H H 1 7.944 0.014 . 1 . . . . 24 SER H . 15679 1 218 . 1 1 24 24 SER HA H 1 4.750 0.027 . 1 . . . . 24 SER HA . 15679 1 219 . 1 1 24 24 SER HB2 H 1 3.874 0.02 . 1 . . . . 24 SER HB2 . 15679 1 220 . 1 1 24 24 SER HB3 H 1 3.932 0.02 . 1 . . . . 24 SER HB3 . 15679 1 221 . 1 1 24 24 SER CA C 13 57.787 0.047 . 1 . . . . 24 SER CA . 15679 1 222 . 1 1 24 24 SER CB C 13 63.296 0.047 . 1 . . . . 24 SER CB . 15679 1 223 . 1 1 24 24 SER N N 15 119.405 0.042 . 1 . . . . 24 SER N . 15679 1 224 . 1 1 25 25 PRO HA H 1 5.142 0.002 . 1 . . . . 25 PRO HA . 15679 1 225 . 1 1 25 25 PRO HB2 H 1 2.010 0.02 . 1 . . . . 25 PRO HB2 . 15679 1 226 . 1 1 25 25 PRO HB3 H 1 1.433 0.02 . 1 . . . . 25 PRO HB3 . 15679 1 227 . 1 1 25 25 PRO HD2 H 1 3.651 0.02 . 2 . . . . 25 PRO HD2 . 15679 1 228 . 1 1 25 25 PRO HD3 H 1 3.743 0.02 . 2 . . . . 25 PRO HD3 . 15679 1 229 . 1 1 25 25 PRO HG2 H 1 1.949 0.02 . 1 . . . . 25 PRO HG2 . 15679 1 230 . 1 1 25 25 PRO HG3 H 1 1.958 0.02 . 1 . . . . 25 PRO HG3 . 15679 1 231 . 1 1 25 25 PRO CA C 13 61.743 0.053 . 1 . . . . 25 PRO CA . 15679 1 232 . 1 1 25 25 PRO CB C 13 31.751 0.05 . 1 . . . . 25 PRO CB . 15679 1 233 . 1 1 25 25 PRO CD C 13 49.384 0.05 . 1 . . . . 25 PRO CD . 15679 1 234 . 1 1 25 25 PRO CG C 13 26.460 0.05 . 1 . . . . 25 PRO CG . 15679 1 235 . 1 1 26 26 ALA H H 1 8.688 0.011 . 1 . . . . 26 ALA H . 15679 1 236 . 1 1 26 26 ALA HA H 1 4.396 0.025 . 1 . . . . 26 ALA HA . 15679 1 237 . 1 1 26 26 ALA HB1 H 1 0.966 0.019 . 1 . . . . 26 ALA HB1 . 15679 1 238 . 1 1 26 26 ALA HB2 H 1 0.966 0.019 . 1 . . . . 26 ALA HB2 . 15679 1 239 . 1 1 26 26 ALA HB3 H 1 0.966 0.019 . 1 . . . . 26 ALA HB3 . 15679 1 240 . 1 1 26 26 ALA CA C 13 49.972 0.037 . 1 . . . . 26 ALA CA . 15679 1 241 . 1 1 26 26 ALA CB C 13 22.877 0.043 . 1 . . . . 26 ALA CB . 15679 1 242 . 1 1 26 26 ALA N N 15 123.024 0.065 . 1 . . . . 26 ALA N . 15679 1 243 . 1 1 27 27 VAL H H 1 7.751 0.015 . 1 . . . . 27 VAL H . 15679 1 244 . 1 1 27 27 VAL HA H 1 4.522 0.022 . 1 . . . . 27 VAL HA . 15679 1 245 . 1 1 27 27 VAL HB H 1 1.525 0.004 . 1 . . . . 27 VAL HB . 15679 1 246 . 1 1 27 27 VAL HG11 H 1 0.553 0.002 . 2 . . . . 27 VAL HG11 . 15679 1 247 . 1 1 27 27 VAL HG12 H 1 0.553 0.002 . 2 . . . . 27 VAL HG12 . 15679 1 248 . 1 1 27 27 VAL HG13 H 1 0.553 0.002 . 2 . . . . 27 VAL HG13 . 15679 1 249 . 1 1 27 27 VAL HG21 H 1 0.656 0.02 . 2 . . . . 27 VAL HG21 . 15679 1 250 . 1 1 27 27 VAL HG22 H 1 0.656 0.02 . 2 . . . . 27 VAL HG22 . 15679 1 251 . 1 1 27 27 VAL HG23 H 1 0.656 0.02 . 2 . . . . 27 VAL HG23 . 15679 1 252 . 1 1 27 27 VAL CA C 13 60.899 0.080 . 1 . . . . 27 VAL CA . 15679 1 253 . 1 1 27 27 VAL CB C 13 33.331 0.083 . 1 . . . . 27 VAL CB . 15679 1 254 . 1 1 27 27 VAL CG1 C 13 20.663 0.05 . 1 . . . . 27 VAL CG1 . 15679 1 255 . 1 1 27 27 VAL N N 15 121.938 0.039 . 1 . . . . 27 VAL N . 15679 1 256 . 1 1 28 28 PHE H H 1 9.196 0.015 . 1 . . . . 28 PHE H . 15679 1 257 . 1 1 28 28 PHE HA H 1 4.561 0.028 . 1 . . . . 28 PHE HA . 15679 1 258 . 1 1 28 28 PHE HB2 H 1 2.356 0.031 . 1 . . . . 28 PHE HB2 . 15679 1 259 . 1 1 28 28 PHE HB3 H 1 2.354 0.029 . 1 . . . . 28 PHE HB3 . 15679 1 260 . 1 1 28 28 PHE HD1 H 1 6.719 0.009 . 3 . . . . 28 PHE HD1 . 15679 1 261 . 1 1 28 28 PHE HD2 H 1 6.719 0.009 . 3 . . . . 28 PHE HD2 . 15679 1 262 . 1 1 28 28 PHE HE1 H 1 6.992 0.006 . 3 . . . . 28 PHE HE1 . 15679 1 263 . 1 1 28 28 PHE HE2 H 1 6.992 0.006 . 3 . . . . 28 PHE HE2 . 15679 1 264 . 1 1 28 28 PHE HZ H 1 6.781 0.032 . 1 . . . . 28 PHE HZ . 15679 1 265 . 1 1 28 28 PHE CA C 13 56.051 0.078 . 1 . . . . 28 PHE CA . 15679 1 266 . 1 1 28 28 PHE CB C 13 42.218 0.104 . 1 . . . . 28 PHE CB . 15679 1 267 . 1 1 28 28 PHE CD1 C 13 133.446 0.004 . 3 . . . . 28 PHE CD1 . 15679 1 268 . 1 1 28 28 PHE CD2 C 13 133.446 0.004 . 3 . . . . 28 PHE CD2 . 15679 1 269 . 1 1 28 28 PHE CE1 C 13 132.118 0.05 . 3 . . . . 28 PHE CE1 . 15679 1 270 . 1 1 28 28 PHE CE2 C 13 132.118 0.05 . 3 . . . . 28 PHE CE2 . 15679 1 271 . 1 1 28 28 PHE N N 15 126.818 0.074 . 1 . . . . 28 PHE N . 15679 1 272 . 1 1 29 29 GLU H H 1 8.583 0.012 . 1 . . . . 29 GLU H . 15679 1 273 . 1 1 29 29 GLU HA H 1 5.405 0.022 . 1 . . . . 29 GLU HA . 15679 1 274 . 1 1 29 29 GLU HB2 H 1 1.811 0.02 . 1 . . . . 29 GLU HB2 . 15679 1 275 . 1 1 29 29 GLU HB3 H 1 1.744 0.02 . 1 . . . . 29 GLU HB3 . 15679 1 276 . 1 1 29 29 GLU HG2 H 1 1.933 0.02 . 2 . . . . 29 GLU HG2 . 15679 1 277 . 1 1 29 29 GLU HG3 H 1 2.002 0.02 . 2 . . . . 29 GLU HG3 . 15679 1 278 . 1 1 29 29 GLU CA C 13 54.508 0.074 . 1 . . . . 29 GLU CA . 15679 1 279 . 1 1 29 29 GLU CB C 13 33.692 0.054 . 1 . . . . 29 GLU CB . 15679 1 280 . 1 1 29 29 GLU N N 15 120.733 0.060 . 1 . . . . 29 GLU N . 15679 1 281 . 1 1 30 30 ALA H H 1 9.484 0.012 . 1 . . . . 30 ALA H . 15679 1 282 . 1 1 30 30 ALA HA H 1 4.691 0.023 . 1 . . . . 30 ALA HA . 15679 1 283 . 1 1 30 30 ALA HB1 H 1 1.169 0.016 . 1 . . . . 30 ALA HB1 . 15679 1 284 . 1 1 30 30 ALA HB2 H 1 1.169 0.016 . 1 . . . . 30 ALA HB2 . 15679 1 285 . 1 1 30 30 ALA HB3 H 1 1.169 0.016 . 1 . . . . 30 ALA HB3 . 15679 1 286 . 1 1 30 30 ALA CA C 13 49.421 0.085 . 1 . . . . 30 ALA CA . 15679 1 287 . 1 1 30 30 ALA CB C 13 23.523 0.043 . 1 . . . . 30 ALA CB . 15679 1 288 . 1 1 30 30 ALA N N 15 124.341 0.058 . 1 . . . . 30 ALA N . 15679 1 289 . 1 1 31 31 GLU H H 1 9.001 0.011 . 1 . . . . 31 GLU H . 15679 1 290 . 1 1 31 31 GLU HA H 1 6.016 0.015 . 1 . . . . 31 GLU HA . 15679 1 291 . 1 1 31 31 GLU HB2 H 1 1.955 0.02 . 1 . . . . 31 GLU HB2 . 15679 1 292 . 1 1 31 31 GLU HB3 H 1 1.779 0.02 . 1 . . . . 31 GLU HB3 . 15679 1 293 . 1 1 31 31 GLU HG2 H 1 2.114 0.02 . 2 . . . . 31 GLU HG2 . 15679 1 294 . 1 1 31 31 GLU HG3 H 1 2.162 0.02 . 2 . . . . 31 GLU HG3 . 15679 1 295 . 1 1 31 31 GLU CA C 13 54.301 0.060 . 1 . . . . 31 GLU CA . 15679 1 296 . 1 1 31 31 GLU CB C 13 33.336 0.05 . 1 . . . . 31 GLU CB . 15679 1 297 . 1 1 31 31 GLU CG C 13 36.469 0.05 . 1 . . . . 31 GLU CG . 15679 1 298 . 1 1 31 31 GLU N N 15 120.169 0.011 . 1 . . . . 31 GLU N . 15679 1 299 . 1 1 32 32 THR H H 1 9.330 0.009 . 1 . . . . 32 THR H . 15679 1 300 . 1 1 32 32 THR HA H 1 4.842 0.024 . 1 . . . . 32 THR HA . 15679 1 301 . 1 1 32 32 THR HB H 1 4.515 0.003 . 1 . . . . 32 THR HB . 15679 1 302 . 1 1 32 32 THR HG21 H 1 0.687 0.043 . 1 . . . . 32 THR HG21 . 15679 1 303 . 1 1 32 32 THR HG22 H 1 0.687 0.043 . 1 . . . . 32 THR HG22 . 15679 1 304 . 1 1 32 32 THR HG23 H 1 0.687 0.043 . 1 . . . . 32 THR HG23 . 15679 1 305 . 1 1 32 32 THR CA C 13 59.738 0.038 . 1 . . . . 32 THR CA . 15679 1 306 . 1 1 32 32 THR CB C 13 69.791 0.031 . 1 . . . . 32 THR CB . 15679 1 307 . 1 1 32 32 THR CG2 C 13 22.123 0.05 . 1 . . . . 32 THR CG2 . 15679 1 308 . 1 1 32 32 THR N N 15 115.538 0.063 . 1 . . . . 32 THR N . 15679 1 309 . 1 1 33 33 GLU H H 1 7.950 0.013 . 1 . . . . 33 GLU H . 15679 1 310 . 1 1 33 33 GLU HA H 1 3.944 0.028 . 1 . . . . 33 GLU HA . 15679 1 311 . 1 1 33 33 GLU HB2 H 1 1.911 0.02 . 1 . . . . 33 GLU HB2 . 15679 1 312 . 1 1 33 33 GLU HB3 H 1 1.839 0.02 . 1 . . . . 33 GLU HB3 . 15679 1 313 . 1 1 33 33 GLU HG2 H 1 2.019 0.02 . 2 . . . . 33 GLU HG2 . 15679 1 314 . 1 1 33 33 GLU HG3 H 1 2.143 0.02 . 2 . . . . 33 GLU HG3 . 15679 1 315 . 1 1 33 33 GLU CA C 13 58.563 0.050 . 1 . . . . 33 GLU CA . 15679 1 316 . 1 1 33 33 GLU CB C 13 29.836 0.011 . 1 . . . . 33 GLU CB . 15679 1 317 . 1 1 33 33 GLU CG C 13 35.634 0.05 . 1 . . . . 33 GLU CG . 15679 1 318 . 1 1 33 33 GLU N N 15 119.723 0.092 . 1 . . . . 33 GLU N . 15679 1 319 . 1 1 34 34 ARG H H 1 7.791 0.007 . 1 . . . . 34 ARG H . 15679 1 320 . 1 1 34 34 ARG HA H 1 4.490 0.027 . 1 . . . . 34 ARG HA . 15679 1 321 . 1 1 34 34 ARG HB2 H 1 1.743 0.039 . 1 . . . . 34 ARG HB2 . 15679 1 322 . 1 1 34 34 ARG HB3 H 1 1.511 0.02 . 1 . . . . 34 ARG HB3 . 15679 1 323 . 1 1 34 34 ARG HD2 H 1 3.134 0.02 . 1 . . . . 34 ARG HD2 . 15679 1 324 . 1 1 34 34 ARG HD3 H 1 3.134 0.02 . 1 . . . . 34 ARG HD3 . 15679 1 325 . 1 1 34 34 ARG HG2 H 1 1.488 0.02 . 1 . . . . 34 ARG HG2 . 15679 1 326 . 1 1 34 34 ARG HG3 H 1 1.486 0.02 . 1 . . . . 34 ARG HG3 . 15679 1 327 . 1 1 34 34 ARG CA C 13 53.485 0.023 . 1 . . . . 34 ARG CA . 15679 1 328 . 1 1 34 34 ARG CB C 13 32.411 0.018 . 1 . . . . 34 ARG CB . 15679 1 329 . 1 1 34 34 ARG CD C 13 42.823 0.05 . 1 . . . . 34 ARG CD . 15679 1 330 . 1 1 34 34 ARG CG C 13 26.552 0.05 . 1 . . . . 34 ARG CG . 15679 1 331 . 1 1 34 34 ARG N N 15 113.251 0.052 . 1 . . . . 34 ARG N . 15679 1 332 . 1 1 35 35 ALA H H 1 8.614 0.014 . 1 . . . . 35 ALA H . 15679 1 333 . 1 1 35 35 ALA HA H 1 4.050 0.02 . 1 . . . . 35 ALA HA . 15679 1 334 . 1 1 35 35 ALA HB1 H 1 1.247 0.02 . 1 . . . . 35 ALA HB1 . 15679 1 335 . 1 1 35 35 ALA HB2 H 1 1.247 0.02 . 1 . . . . 35 ALA HB2 . 15679 1 336 . 1 1 35 35 ALA HB3 H 1 1.247 0.02 . 1 . . . . 35 ALA HB3 . 15679 1 337 . 1 1 35 35 ALA CA C 13 51.762 0.051 . 1 . . . . 35 ALA CA . 15679 1 338 . 1 1 35 35 ALA N N 15 125.041 0.052 . 1 . . . . 35 ALA N . 15679 1 339 . 1 1 36 36 GLY H H 1 8.647 0.013 . 1 . . . . 36 GLY H . 15679 1 340 . 1 1 36 36 GLY HA2 H 1 3.634 0.038 . 1 . . . . 36 GLY HA2 . 15679 1 341 . 1 1 36 36 GLY HA3 H 1 3.960 0.035 . 1 . . . . 36 GLY HA3 . 15679 1 342 . 1 1 36 36 GLY CA C 13 45.703 0.024 . 1 . . . . 36 GLY CA . 15679 1 343 . 1 1 36 36 GLY N N 15 108.031 0.053 . 1 . . . . 36 GLY N . 15679 1 344 . 1 1 37 37 VAL H H 1 7.077 0.017 . 1 . . . . 37 VAL H . 15679 1 345 . 1 1 37 37 VAL HA H 1 3.869 0.024 . 1 . . . . 37 VAL HA . 15679 1 346 . 1 1 37 37 VAL HB H 1 1.750 0.023 . 1 . . . . 37 VAL HB . 15679 1 347 . 1 1 37 37 VAL HG11 H 1 0.645 0.02 . 2 . . . . 37 VAL HG11 . 15679 1 348 . 1 1 37 37 VAL HG12 H 1 0.645 0.02 . 2 . . . . 37 VAL HG12 . 15679 1 349 . 1 1 37 37 VAL HG13 H 1 0.645 0.02 . 2 . . . . 37 VAL HG13 . 15679 1 350 . 1 1 37 37 VAL HG21 H 1 0.732 0.02 . 2 . . . . 37 VAL HG21 . 15679 1 351 . 1 1 37 37 VAL HG22 H 1 0.732 0.02 . 2 . . . . 37 VAL HG22 . 15679 1 352 . 1 1 37 37 VAL HG23 H 1 0.732 0.02 . 2 . . . . 37 VAL HG23 . 15679 1 353 . 1 1 37 37 VAL CA C 13 61.469 0.051 . 1 . . . . 37 VAL CA . 15679 1 354 . 1 1 37 37 VAL CB C 13 32.942 0.020 . 1 . . . . 37 VAL CB . 15679 1 355 . 1 1 37 37 VAL CG1 C 13 21.112 0.05 . 1 . . . . 37 VAL CG1 . 15679 1 356 . 1 1 37 37 VAL CG2 C 13 21.112 0.05 . 1 . . . . 37 VAL CG2 . 15679 1 357 . 1 1 37 37 VAL N N 15 119.457 0.050 . 1 . . . . 37 VAL N . 15679 1 358 . 1 1 38 38 LYS H H 1 8.467 0.010 . 1 . . . . 38 LYS H . 15679 1 359 . 1 1 38 38 LYS HA H 1 4.267 0.022 . 1 . . . . 38 LYS HA . 15679 1 360 . 1 1 38 38 LYS HB2 H 1 1.755 0.006 . 1 . . . . 38 LYS HB2 . 15679 1 361 . 1 1 38 38 LYS HB3 H 1 1.656 0.005 . 1 . . . . 38 LYS HB3 . 15679 1 362 . 1 1 38 38 LYS HE2 H 1 3.085 0.006 . 1 . . . . 38 LYS HE2 . 15679 1 363 . 1 1 38 38 LYS HE3 H 1 3.085 0.006 . 1 . . . . 38 LYS HE3 . 15679 1 364 . 1 1 38 38 LYS HG2 H 1 1.502 0.005 . 1 . . . . 38 LYS HG2 . 15679 1 365 . 1 1 38 38 LYS HG3 H 1 1.502 0.005 . 1 . . . . 38 LYS HG3 . 15679 1 366 . 1 1 38 38 LYS CA C 13 55.873 0.128 . 1 . . . . 38 LYS CA . 15679 1 367 . 1 1 38 38 LYS CB C 13 30.881 0.05 . 1 . . . . 38 LYS CB . 15679 1 368 . 1 1 38 38 LYS CD C 13 26.795 0.022 . 1 . . . . 38 LYS CD . 15679 1 369 . 1 1 38 38 LYS CG C 13 26.885 0.023 . 1 . . . . 38 LYS CG . 15679 1 370 . 1 1 38 38 LYS N N 15 128.214 0.047 . 1 . . . . 38 LYS N . 15679 1 371 . 1 1 39 39 VAL H H 1 7.993 0.016 . 1 . . . . 39 VAL H . 15679 1 372 . 1 1 39 39 VAL HA H 1 4.537 0.025 . 1 . . . . 39 VAL HA . 15679 1 373 . 1 1 39 39 VAL HB H 1 1.126 0.024 . 1 . . . . 39 VAL HB . 15679 1 374 . 1 1 39 39 VAL HG11 H 1 -0.059 0.02 . 2 . . . . 39 VAL HG11 . 15679 1 375 . 1 1 39 39 VAL HG12 H 1 -0.059 0.02 . 2 . . . . 39 VAL HG12 . 15679 1 376 . 1 1 39 39 VAL HG13 H 1 -0.059 0.02 . 2 . . . . 39 VAL HG13 . 15679 1 377 . 1 1 39 39 VAL HG21 H 1 -0.072 0.013 . 2 . . . . 39 VAL HG21 . 15679 1 378 . 1 1 39 39 VAL HG22 H 1 -0.072 0.013 . 2 . . . . 39 VAL HG22 . 15679 1 379 . 1 1 39 39 VAL HG23 H 1 -0.072 0.013 . 2 . . . . 39 VAL HG23 . 15679 1 380 . 1 1 39 39 VAL CA C 13 60.114 0.066 . 1 . . . . 39 VAL CA . 15679 1 381 . 1 1 39 39 VAL CB C 13 33.719 0.043 . 1 . . . . 39 VAL CB . 15679 1 382 . 1 1 39 39 VAL CG1 C 13 20.059 0.05 . 2 . . . . 39 VAL CG1 . 15679 1 383 . 1 1 39 39 VAL CG2 C 13 20.375 0.05 . 2 . . . . 39 VAL CG2 . 15679 1 384 . 1 1 39 39 VAL N N 15 123.133 0.072 . 1 . . . . 39 VAL N . 15679 1 385 . 1 1 40 40 ARG H H 1 8.507 0.014 . 1 . . . . 40 ARG H . 15679 1 386 . 1 1 40 40 ARG HA H 1 4.503 0.045 . 1 . . . . 40 ARG HA . 15679 1 387 . 1 1 40 40 ARG HB2 H 1 1.689 0.02 . 1 . . . . 40 ARG HB2 . 15679 1 388 . 1 1 40 40 ARG HB3 H 1 1.401 0.02 . 1 . . . . 40 ARG HB3 . 15679 1 389 . 1 1 40 40 ARG HD2 H 1 2.923 0.02 . 2 . . . . 40 ARG HD2 . 15679 1 390 . 1 1 40 40 ARG HD3 H 1 3.162 0.02 . 2 . . . . 40 ARG HD3 . 15679 1 391 . 1 1 40 40 ARG HG2 H 1 1.357 0.02 . 2 . . . . 40 ARG HG2 . 15679 1 392 . 1 1 40 40 ARG HG3 H 1 1.524 0.02 . 2 . . . . 40 ARG HG3 . 15679 1 393 . 1 1 40 40 ARG CA C 13 54.098 0.073 . 1 . . . . 40 ARG CA . 15679 1 394 . 1 1 40 40 ARG CB C 13 33.701 0.047 . 1 . . . . 40 ARG CB . 15679 1 395 . 1 1 40 40 ARG CD C 13 43.962 0.05 . 1 . . . . 40 ARG CD . 15679 1 396 . 1 1 40 40 ARG CG C 13 26.219 0.05 . 1 . . . . 40 ARG CG . 15679 1 397 . 1 1 40 40 ARG N N 15 124.492 0.040 . 1 . . . . 40 ARG N . 15679 1 398 . 1 1 41 41 TRP H H 1 9.083 0.013 . 1 . . . . 41 TRP H . 15679 1 399 . 1 1 41 41 TRP HA H 1 5.311 0.018 . 1 . . . . 41 TRP HA . 15679 1 400 . 1 1 41 41 TRP HB2 H 1 2.829 0.027 . 1 . . . . 41 TRP HB2 . 15679 1 401 . 1 1 41 41 TRP HB3 H 1 3.113 0.026 . 1 . . . . 41 TRP HB3 . 15679 1 402 . 1 1 41 41 TRP HD1 H 1 7.214 0.004 . 1 . . . . 41 TRP HD1 . 15679 1 403 . 1 1 41 41 TRP HE1 H 1 10.427 0.002 . 1 . . . . 41 TRP HE1 . 15679 1 404 . 1 1 41 41 TRP HE3 H 1 7.464 0.004 . 1 . . . . 41 TRP HE3 . 15679 1 405 . 1 1 41 41 TRP HH2 H 1 6.488 0.017 . 1 . . . . 41 TRP HH2 . 15679 1 406 . 1 1 41 41 TRP HZ2 H 1 7.013 0.007 . 1 . . . . 41 TRP HZ2 . 15679 1 407 . 1 1 41 41 TRP HZ3 H 1 6.434 0.024 . 1 . . . . 41 TRP HZ3 . 15679 1 408 . 1 1 41 41 TRP CA C 13 55.134 0.059 . 1 . . . . 41 TRP CA . 15679 1 409 . 1 1 41 41 TRP CB C 13 31.370 0.009 . 1 . . . . 41 TRP CB . 15679 1 410 . 1 1 41 41 TRP CE3 C 13 121.341 0.05 . 1 . . . . 41 TRP CE3 . 15679 1 411 . 1 1 41 41 TRP CH2 C 13 123.826 0.05 . 1 . . . . 41 TRP CH2 . 15679 1 412 . 1 1 41 41 TRP CZ2 C 13 114.432 0.05 . 1 . . . . 41 TRP CZ2 . 15679 1 413 . 1 1 41 41 TRP N N 15 123.367 0.046 . 1 . . . . 41 TRP N . 15679 1 414 . 1 1 41 41 TRP NE1 N 15 129.996 0.066 . 1 . . . . 41 TRP NE1 . 15679 1 415 . 1 1 42 42 GLN H H 1 9.532 0.011 . 1 . . . . 42 GLN H . 15679 1 416 . 1 1 42 42 GLN HA H 1 5.159 0.028 . 1 . . . . 42 GLN HA . 15679 1 417 . 1 1 42 42 GLN HB2 H 1 1.606 0.027 . 1 . . . . 42 GLN HB2 . 15679 1 418 . 1 1 42 42 GLN HB3 H 1 1.443 0.02 . 1 . . . . 42 GLN HB3 . 15679 1 419 . 1 1 42 42 GLN HE21 H 1 7.520 0.02 . 1 . . . . 42 GLN HE21 . 15679 1 420 . 1 1 42 42 GLN HE22 H 1 7.520 0.02 . 1 . . . . 42 GLN HE22 . 15679 1 421 . 1 1 42 42 GLN HG2 H 1 1.776 0.02 . 2 . . . . 42 GLN HG2 . 15679 1 422 . 1 1 42 42 GLN HG3 H 1 2.011 0.02 . 2 . . . . 42 GLN HG3 . 15679 1 423 . 1 1 42 42 GLN CA C 13 54.445 0.026 . 1 . . . . 42 GLN CA . 15679 1 424 . 1 1 42 42 GLN CB C 13 34.775 0.064 . 1 . . . . 42 GLN CB . 15679 1 425 . 1 1 42 42 GLN CG C 13 33.383 0.05 . 1 . . . . 42 GLN CG . 15679 1 426 . 1 1 42 42 GLN N N 15 118.692 0.040 . 1 . . . . 42 GLN N . 15679 1 427 . 1 1 43 43 ARG H H 1 8.209 0.015 . 1 . . . . 43 ARG H . 15679 1 428 . 1 1 43 43 ARG HA H 1 4.039 0.020 . 1 . . . . 43 ARG HA . 15679 1 429 . 1 1 43 43 ARG HB2 H 1 1.515 0.005 . 1 . . . . 43 ARG HB2 . 15679 1 430 . 1 1 43 43 ARG HB3 H 1 1.325 0.031 . 1 . . . . 43 ARG HB3 . 15679 1 431 . 1 1 43 43 ARG HD2 H 1 2.471 0.02 . 2 . . . . 43 ARG HD2 . 15679 1 432 . 1 1 43 43 ARG HD3 H 1 2.742 0.02 . 2 . . . . 43 ARG HD3 . 15679 1 433 . 1 1 43 43 ARG HG2 H 1 0.854 0.022 . 2 . . . . 43 ARG HG2 . 15679 1 434 . 1 1 43 43 ARG HG3 H 1 1.032 0.02 . 2 . . . . 43 ARG HG3 . 15679 1 435 . 1 1 43 43 ARG CA C 13 54.790 0.068 . 1 . . . . 43 ARG CA . 15679 1 436 . 1 1 43 43 ARG CB C 13 32.202 0.118 . 1 . . . . 43 ARG CB . 15679 1 437 . 1 1 43 43 ARG CD C 13 42.579 0.05 . 1 . . . . 43 ARG CD . 15679 1 438 . 1 1 43 43 ARG CG C 13 26.530 0.05 . 1 . . . . 43 ARG CG . 15679 1 439 . 1 1 43 43 ARG N N 15 119.579 0.014 . 1 . . . . 43 ARG N . 15679 1 440 . 1 1 46 46 SER H H 1 7.513 0.021 . 1 . . . . 46 SER H . 15679 1 441 . 1 1 46 46 SER HA H 1 4.674 0.029 . 1 . . . . 46 SER HA . 15679 1 442 . 1 1 46 46 SER HB2 H 1 3.771 0.027 . 1 . . . . 46 SER HB2 . 15679 1 443 . 1 1 46 46 SER HB3 H 1 3.631 0.027 . 1 . . . . 46 SER HB3 . 15679 1 444 . 1 1 46 46 SER CA C 13 56.766 0.080 . 1 . . . . 46 SER CA . 15679 1 445 . 1 1 46 46 SER CB C 13 64.815 0.042 . 1 . . . . 46 SER CB . 15679 1 446 . 1 1 46 46 SER N N 15 114.927 0.016 . 1 . . . . 46 SER N . 15679 1 447 . 1 1 47 47 ASP H H 1 8.698 0.012 . 1 . . . . 47 ASP H . 15679 1 448 . 1 1 47 47 ASP HA H 1 4.830 0.02 . 1 . . . . 47 ASP HA . 15679 1 449 . 1 1 47 47 ASP HB2 H 1 2.522 0.031 . 1 . . . . 47 ASP HB2 . 15679 1 450 . 1 1 47 47 ASP HB3 H 1 2.522 0.031 . 1 . . . . 47 ASP HB3 . 15679 1 451 . 1 1 47 47 ASP CA C 13 55.177 0.05 . 1 . . . . 47 ASP CA . 15679 1 452 . 1 1 47 47 ASP CB C 13 40.385 0.034 . 1 . . . . 47 ASP CB . 15679 1 453 . 1 1 47 47 ASP N N 15 125.553 0.055 . 1 . . . . 47 ASP N . 15679 1 454 . 1 1 48 48 ILE H H 1 8.781 0.011 . 1 . . . . 48 ILE H . 15679 1 455 . 1 1 48 48 ILE HA H 1 3.879 0.025 . 1 . . . . 48 ILE HA . 15679 1 456 . 1 1 48 48 ILE HB H 1 1.326 0.021 . 1 . . . . 48 ILE HB . 15679 1 457 . 1 1 48 48 ILE HD11 H 1 0.389 0.005 . 1 . . . . 48 ILE HD11 . 15679 1 458 . 1 1 48 48 ILE HD12 H 1 0.389 0.005 . 1 . . . . 48 ILE HD12 . 15679 1 459 . 1 1 48 48 ILE HD13 H 1 0.389 0.005 . 1 . . . . 48 ILE HD13 . 15679 1 460 . 1 1 48 48 ILE HG12 H 1 0.413 0.02 . 1 . . . . 48 ILE HG12 . 15679 1 461 . 1 1 48 48 ILE HG13 H 1 0.424 0.024 . 1 . . . . 48 ILE HG13 . 15679 1 462 . 1 1 48 48 ILE HG21 H 1 0.162 0.010 . 1 . . . . 48 ILE HG21 . 15679 1 463 . 1 1 48 48 ILE HG22 H 1 0.162 0.010 . 1 . . . . 48 ILE HG22 . 15679 1 464 . 1 1 48 48 ILE HG23 H 1 0.162 0.010 . 1 . . . . 48 ILE HG23 . 15679 1 465 . 1 1 48 48 ILE CA C 13 61.218 0.029 . 1 . . . . 48 ILE CA . 15679 1 466 . 1 1 48 48 ILE CB C 13 39.345 0.059 . 1 . . . . 48 ILE CB . 15679 1 467 . 1 1 48 48 ILE CD1 C 13 13.311 0.05 . 1 . . . . 48 ILE CD1 . 15679 1 468 . 1 1 48 48 ILE CG1 C 13 27.943 0.05 . 1 . . . . 48 ILE CG1 . 15679 1 469 . 1 1 48 48 ILE CG2 C 13 17.465 0.05 . 1 . . . . 48 ILE CG2 . 15679 1 470 . 1 1 48 48 ILE N N 15 124.032 0.077 . 1 . . . . 48 ILE N . 15679 1 471 . 1 1 49 49 SER H H 1 7.963 0.013 . 1 . . . . 49 SER H . 15679 1 472 . 1 1 49 49 SER HA H 1 4.681 0.022 . 1 . . . . 49 SER HA . 15679 1 473 . 1 1 49 49 SER HB2 H 1 3.840 0.02 . 1 . . . . 49 SER HB2 . 15679 1 474 . 1 1 49 49 SER HB3 H 1 3.813 0.012 . 2 . . . . 49 SER HB3 . 15679 1 475 . 1 1 49 49 SER CA C 13 56.256 0.037 . 1 . . . . 49 SER CA . 15679 1 476 . 1 1 49 49 SER CB C 13 65.243 0.030 . 1 . . . . 49 SER CB . 15679 1 477 . 1 1 49 49 SER N N 15 121.077 0.065 . 1 . . . . 49 SER N . 15679 1 478 . 1 1 50 50 ALA H H 1 8.516 0.011 . 1 . . . . 50 ALA H . 15679 1 479 . 1 1 50 50 ALA HA H 1 4.302 0.024 . 1 . . . . 50 ALA HA . 15679 1 480 . 1 1 50 50 ALA HB1 H 1 1.496 0.029 . 1 . . . . 50 ALA HB1 . 15679 1 481 . 1 1 50 50 ALA HB2 H 1 1.496 0.029 . 1 . . . . 50 ALA HB2 . 15679 1 482 . 1 1 50 50 ALA HB3 H 1 1.496 0.029 . 1 . . . . 50 ALA HB3 . 15679 1 483 . 1 1 50 50 ALA CA C 13 53.052 0.036 . 1 . . . . 50 ALA CA . 15679 1 484 . 1 1 50 50 ALA CB C 13 18.821 0.044 . 1 . . . . 50 ALA CB . 15679 1 485 . 1 1 50 50 ALA N N 15 123.977 0.053 . 1 . . . . 50 ALA N . 15679 1 486 . 1 1 51 51 SER H H 1 9.564 0.011 . 1 . . . . 51 SER H . 15679 1 487 . 1 1 51 51 SER HA H 1 4.797 0.021 . 1 . . . . 51 SER HA . 15679 1 488 . 1 1 51 51 SER HB2 H 1 4.118 0.004 . 2 . . . . 51 SER HB2 . 15679 1 489 . 1 1 51 51 SER HB3 H 1 4.245 0.004 . 2 . . . . 51 SER HB3 . 15679 1 490 . 1 1 51 51 SER CA C 13 56.946 0.057 . 1 . . . . 51 SER CA . 15679 1 491 . 1 1 51 51 SER CB C 13 65.759 0.054 . 1 . . . . 51 SER CB . 15679 1 492 . 1 1 51 51 SER N N 15 117.545 0.064 . 1 . . . . 51 SER N . 15679 1 493 . 1 1 52 52 ASN HB2 H 1 1.603 0.02 . 1 . . . . 52 ASN HB2 . 15679 1 494 . 1 1 52 52 ASN CA C 13 55.930 0.05 . 1 . . . . 52 ASN CA . 15679 1 495 . 1 1 52 52 ASN CB C 13 37.045 0.05 . 1 . . . . 52 ASN CB . 15679 1 496 . 1 1 53 53 LYS H H 1 8.053 0.012 . 1 . . . . 53 LYS H . 15679 1 497 . 1 1 53 53 LYS HA H 1 3.995 0.02 . 1 . . . . 53 LYS HA . 15679 1 498 . 1 1 53 53 LYS HB2 H 1 1.049 0.02 . 1 . . . . 53 LYS HB2 . 15679 1 499 . 1 1 53 53 LYS HB3 H 1 1.364 0.02 . 1 . . . . 53 LYS HB3 . 15679 1 500 . 1 1 53 53 LYS HD2 H 1 1.307 0.02 . 1 . . . . 53 LYS HD2 . 15679 1 501 . 1 1 53 53 LYS HD3 H 1 1.541 0.02 . 1 . . . . 53 LYS HD3 . 15679 1 502 . 1 1 53 53 LYS HE2 H 1 2.413 0.02 . 2 . . . . 53 LYS HE2 . 15679 1 503 . 1 1 53 53 LYS HE3 H 1 2.776 0.02 . 2 . . . . 53 LYS HE3 . 15679 1 504 . 1 1 53 53 LYS HG2 H 1 0.731 0.02 . 1 . . . . 53 LYS HG2 . 15679 1 505 . 1 1 53 53 LYS HG3 H 1 0.014 0.02 . 1 . . . . 53 LYS HG3 . 15679 1 506 . 1 1 53 53 LYS CA C 13 53.699 0.05 . 1 . . . . 53 LYS CA . 15679 1 507 . 1 1 53 53 LYS CB C 13 33.687 0.076 . 1 . . . . 53 LYS CB . 15679 1 508 . 1 1 53 53 LYS CD C 13 26.920 0.05 . 1 . . . . 53 LYS CD . 15679 1 509 . 1 1 53 53 LYS CE C 13 42.339 0.05 . 1 . . . . 53 LYS CE . 15679 1 510 . 1 1 53 53 LYS CG C 13 23.075 0.05 . 1 . . . . 53 LYS CG . 15679 1 511 . 1 1 53 53 LYS N N 15 121.638 0.056 . 1 . . . . 53 LYS N . 15679 1 512 . 1 1 54 54 TYR H H 1 6.779 0.012 . 1 . . . . 54 TYR H . 15679 1 513 . 1 1 54 54 TYR HA H 1 5.484 0.022 . 1 . . . . 54 TYR HA . 15679 1 514 . 1 1 54 54 TYR HB2 H 1 2.414 0.021 . 1 . . . . 54 TYR HB2 . 15679 1 515 . 1 1 54 54 TYR HB3 H 1 2.893 0.027 . 1 . . . . 54 TYR HB3 . 15679 1 516 . 1 1 54 54 TYR HD1 H 1 7.116 0.008 . 3 . . . . 54 TYR HD1 . 15679 1 517 . 1 1 54 54 TYR HD2 H 1 7.116 0.008 . 3 . . . . 54 TYR HD2 . 15679 1 518 . 1 1 54 54 TYR HE1 H 1 6.832 0.008 . 3 . . . . 54 TYR HE1 . 15679 1 519 . 1 1 54 54 TYR HE2 H 1 6.832 0.008 . 3 . . . . 54 TYR HE2 . 15679 1 520 . 1 1 54 54 TYR CA C 13 55.016 0.055 . 1 . . . . 54 TYR CA . 15679 1 521 . 1 1 54 54 TYR CB C 13 40.147 0.033 . 1 . . . . 54 TYR CB . 15679 1 522 . 1 1 54 54 TYR CD1 C 13 134.261 0.05 . 3 . . . . 54 TYR CD1 . 15679 1 523 . 1 1 54 54 TYR CD2 C 13 134.261 0.05 . 3 . . . . 54 TYR CD2 . 15679 1 524 . 1 1 54 54 TYR CE1 C 13 118.090 0.05 . 3 . . . . 54 TYR CE1 . 15679 1 525 . 1 1 54 54 TYR CE2 C 13 118.090 0.05 . 3 . . . . 54 TYR CE2 . 15679 1 526 . 1 1 54 54 TYR N N 15 114.754 0.039 . 1 . . . . 54 TYR N . 15679 1 527 . 1 1 55 55 GLY H H 1 9.666 0.010 . 1 . . . . 55 GLY H . 15679 1 528 . 1 1 55 55 GLY HA2 H 1 4.653 0.030 . 1 . . . . 55 GLY HA2 . 15679 1 529 . 1 1 55 55 GLY HA3 H 1 3.343 0.024 . 1 . . . . 55 GLY HA3 . 15679 1 530 . 1 1 55 55 GLY CA C 13 44.332 0.055 . 1 . . . . 55 GLY CA . 15679 1 531 . 1 1 55 55 GLY N N 15 110.691 0.060 . 1 . . . . 55 GLY N . 15679 1 532 . 1 1 56 56 LEU H H 1 8.542 0.016 . 1 . . . . 56 LEU H . 15679 1 533 . 1 1 56 56 LEU HA H 1 5.138 0.018 . 1 . . . . 56 LEU HA . 15679 1 534 . 1 1 56 56 LEU HB2 H 1 1.609 0.026 . 1 . . . . 56 LEU HB2 . 15679 1 535 . 1 1 56 56 LEU HB3 H 1 1.609 0.026 . 1 . . . . 56 LEU HB3 . 15679 1 536 . 1 1 56 56 LEU HD11 H 1 0.689 0.02 . 2 . . . . 56 LEU HD11 . 15679 1 537 . 1 1 56 56 LEU HD12 H 1 0.827 0.024 . 1 . . . . 56 LEU HD12 . 15679 1 538 . 1 1 56 56 LEU HD13 H 1 0.827 0.024 . 1 . . . . 56 LEU HD13 . 15679 1 539 . 1 1 56 56 LEU HD21 H 1 0.837 0.024 . 1 . . . . 56 LEU HD21 . 15679 1 540 . 1 1 56 56 LEU HD22 H 1 0.814 0.02 . 2 . . . . 56 LEU HD22 . 15679 1 541 . 1 1 56 56 LEU HD23 H 1 0.837 0.024 . 1 . . . . 56 LEU HD23 . 15679 1 542 . 1 1 56 56 LEU HG H 1 1.372 0.02 . 1 . . . . 56 LEU HG . 15679 1 543 . 1 1 56 56 LEU CA C 13 54.213 0.101 . 1 . . . . 56 LEU CA . 15679 1 544 . 1 1 56 56 LEU CB C 13 45.206 0.079 . 1 . . . . 56 LEU CB . 15679 1 545 . 1 1 56 56 LEU CD1 C 13 25.698 0.05 . 1 . . . . 56 LEU CD1 . 15679 1 546 . 1 1 56 56 LEU CD2 C 13 25.698 0.05 . 1 . . . . 56 LEU CD2 . 15679 1 547 . 1 1 56 56 LEU CG C 13 27.947 0.05 . 1 . . . . 56 LEU CG . 15679 1 548 . 1 1 56 56 LEU N N 15 125.972 0.043 . 1 . . . . 56 LEU N . 15679 1 549 . 1 1 57 57 ALA H H 1 8.594 0.011 . 1 . . . . 57 ALA H . 15679 1 550 . 1 1 57 57 ALA HA H 1 4.790 0.029 . 1 . . . . 57 ALA HA . 15679 1 551 . 1 1 57 57 ALA HB1 H 1 1.296 0.024 . 1 . . . . 57 ALA HB1 . 15679 1 552 . 1 1 57 57 ALA HB2 H 1 1.296 0.024 . 1 . . . . 57 ALA HB2 . 15679 1 553 . 1 1 57 57 ALA HB3 H 1 1.296 0.024 . 1 . . . . 57 ALA HB3 . 15679 1 554 . 1 1 57 57 ALA CA C 13 51.318 0.040 . 1 . . . . 57 ALA CA . 15679 1 555 . 1 1 57 57 ALA CB C 13 22.564 0.032 . 1 . . . . 57 ALA CB . 15679 1 556 . 1 1 57 57 ALA N N 15 124.534 0.007 . 1 . . . . 57 ALA N . 15679 1 557 . 1 1 58 58 THR H H 1 8.602 0.013 . 1 . . . . 58 THR H . 15679 1 558 . 1 1 58 58 THR HA H 1 4.862 0.021 . 1 . . . . 58 THR HA . 15679 1 559 . 1 1 58 58 THR HB H 1 3.824 0.027 . 1 . . . . 58 THR HB . 15679 1 560 . 1 1 58 58 THR HG21 H 1 1.078 0.029 . 1 . . . . 58 THR HG21 . 15679 1 561 . 1 1 58 58 THR HG22 H 1 1.078 0.029 . 1 . . . . 58 THR HG22 . 15679 1 562 . 1 1 58 58 THR HG23 H 1 1.078 0.029 . 1 . . . . 58 THR HG23 . 15679 1 563 . 1 1 58 58 THR CA C 13 62.034 0.041 . 1 . . . . 58 THR CA . 15679 1 564 . 1 1 58 58 THR CB C 13 72.197 0.020 . 1 . . . . 58 THR CB . 15679 1 565 . 1 1 58 58 THR CG2 C 13 21.244 0.05 . 1 . . . . 58 THR CG2 . 15679 1 566 . 1 1 58 58 THR N N 15 119.396 0.024 . 1 . . . . 58 THR N . 15679 1 567 . 1 1 59 59 GLU H H 1 8.883 0.010 . 1 . . . . 59 GLU H . 15679 1 568 . 1 1 59 59 GLU HA H 1 4.378 0.022 . 1 . . . . 59 GLU HA . 15679 1 569 . 1 1 59 59 GLU HB2 H 1 1.872 0.025 . 1 . . . . 59 GLU HB2 . 15679 1 570 . 1 1 59 59 GLU HB3 H 1 1.775 0.017 . 1 . . . . 59 GLU HB3 . 15679 1 571 . 1 1 59 59 GLU HG2 H 1 2.025 0.02 . 1 . . . . 59 GLU HG2 . 15679 1 572 . 1 1 59 59 GLU HG3 H 1 2.031 0.02 . 1 . . . . 59 GLU HG3 . 15679 1 573 . 1 1 59 59 GLU CA C 13 54.955 0.041 . 1 . . . . 59 GLU CA . 15679 1 574 . 1 1 59 59 GLU CB C 13 31.121 0.068 . 1 . . . . 59 GLU CB . 15679 1 575 . 1 1 59 59 GLU CG C 13 35.799 0.05 . 1 . . . . 59 GLU CG . 15679 1 576 . 1 1 59 59 GLU N N 15 128.594 0.085 . 1 . . . . 59 GLU N . 15679 1 577 . 1 1 60 60 GLY H H 1 9.045 0.009 . 1 . . . . 60 GLY H . 15679 1 578 . 1 1 60 60 GLY HA2 H 1 4.081 0.024 . 1 . . . . 60 GLY HA2 . 15679 1 579 . 1 1 60 60 GLY HA3 H 1 3.529 0.034 . 1 . . . . 60 GLY HA3 . 15679 1 580 . 1 1 60 60 GLY CA C 13 47.127 0.039 . 1 . . . . 60 GLY CA . 15679 1 581 . 1 1 60 60 GLY N N 15 117.047 0.041 . 1 . . . . 60 GLY N . 15679 1 582 . 1 1 61 61 THR H H 1 8.332 0.018 . 1 . . . . 61 THR H . 15679 1 583 . 1 1 61 61 THR HA H 1 4.129 0.027 . 1 . . . . 61 THR HA . 15679 1 584 . 1 1 61 61 THR HB H 1 4.973 0.02 . 1 . . . . 61 THR HB . 15679 1 585 . 1 1 61 61 THR HG21 H 1 0.902 0.02 . 1 . . . . 61 THR HG21 . 15679 1 586 . 1 1 61 61 THR HG22 H 1 0.902 0.02 . 1 . . . . 61 THR HG22 . 15679 1 587 . 1 1 61 61 THR HG23 H 1 0.902 0.02 . 1 . . . . 61 THR HG23 . 15679 1 588 . 1 1 61 61 THR CA C 13 61.659 0.05 . 1 . . . . 61 THR CA . 15679 1 589 . 1 1 61 61 THR CB C 13 68.477 0.038 . 1 . . . . 61 THR CB . 15679 1 590 . 1 1 61 61 THR CG2 C 13 21.961 0.05 . 1 . . . . 61 THR CG2 . 15679 1 591 . 1 1 61 61 THR N N 15 118.086 0.008 . 1 . . . . 61 THR N . 15679 1 592 . 1 1 62 62 ARG H H 1 7.906 0.017 . 1 . . . . 62 ARG H . 15679 1 593 . 1 1 62 62 ARG HA H 1 4.754 0.015 . 1 . . . . 62 ARG HA . 15679 1 594 . 1 1 62 62 ARG HB2 H 1 1.757 0.02 . 1 . . . . 62 ARG HB2 . 15679 1 595 . 1 1 62 62 ARG HB3 H 1 1.860 0.02 . 1 . . . . 62 ARG HB3 . 15679 1 596 . 1 1 62 62 ARG HD2 H 1 3.083 0.02 . 1 . . . . 62 ARG HD2 . 15679 1 597 . 1 1 62 62 ARG HD3 H 1 3.083 0.02 . 1 . . . . 62 ARG HD3 . 15679 1 598 . 1 1 62 62 ARG HG2 H 1 1.381 0.02 . 2 . . . . 62 ARG HG2 . 15679 1 599 . 1 1 62 62 ARG HG3 H 1 1.505 0.02 . 2 . . . . 62 ARG HG3 . 15679 1 600 . 1 1 62 62 ARG CA C 13 56.040 0.058 . 1 . . . . 62 ARG CA . 15679 1 601 . 1 1 62 62 ARG CB C 13 31.775 0.05 . 1 . . . . 62 ARG CB . 15679 1 602 . 1 1 62 62 ARG CD C 13 43.198 0.05 . 1 . . . . 62 ARG CD . 15679 1 603 . 1 1 62 62 ARG CG C 13 27.651 0.05 . 1 . . . . 62 ARG CG . 15679 1 604 . 1 1 62 62 ARG N N 15 121.911 0.003 . 1 . . . . 62 ARG N . 15679 1 605 . 1 1 63 63 HIS H H 1 9.212 0.012 . 1 . . . . 63 HIS H . 15679 1 606 . 1 1 63 63 HIS HA H 1 5.364 0.025 . 1 . . . . 63 HIS HA . 15679 1 607 . 1 1 63 63 HIS HB2 H 1 2.971 0.039 . 1 . . . . 63 HIS HB2 . 15679 1 608 . 1 1 63 63 HIS HB3 H 1 3.572 0.031 . 1 . . . . 63 HIS HB3 . 15679 1 609 . 1 1 63 63 HIS HD2 H 1 6.870 0.004 . 1 . . . . 63 HIS HD2 . 15679 1 610 . 1 1 63 63 HIS HE1 H 1 7.786 0.018 . 1 . . . . 63 HIS HE1 . 15679 1 611 . 1 1 63 63 HIS CA C 13 55.066 0.044 . 1 . . . . 63 HIS CA . 15679 1 612 . 1 1 63 63 HIS CB C 13 33.860 0.090 . 1 . . . . 63 HIS CB . 15679 1 613 . 1 1 63 63 HIS CE1 C 13 139.890 0.05 . 1 . . . . 63 HIS CE1 . 15679 1 614 . 1 1 63 63 HIS N N 15 127.111 0.001 . 1 . . . . 63 HIS N . 15679 1 615 . 1 1 64 64 THR H H 1 9.261 0.013 . 1 . . . . 64 THR H . 15679 1 616 . 1 1 64 64 THR HA H 1 5.510 0.020 . 1 . . . . 64 THR HA . 15679 1 617 . 1 1 64 64 THR HB H 1 3.763 0.024 . 1 . . . . 64 THR HB . 15679 1 618 . 1 1 64 64 THR HG21 H 1 1.002 0.040 . 1 . . . . 64 THR HG21 . 15679 1 619 . 1 1 64 64 THR HG22 H 1 1.002 0.040 . 1 . . . . 64 THR HG22 . 15679 1 620 . 1 1 64 64 THR HG23 H 1 1.002 0.040 . 1 . . . . 64 THR HG23 . 15679 1 621 . 1 1 64 64 THR CA C 13 60.691 0.064 . 1 . . . . 64 THR CA . 15679 1 622 . 1 1 64 64 THR CB C 13 71.788 0.035 . 1 . . . . 64 THR CB . 15679 1 623 . 1 1 64 64 THR CG2 C 13 21.532 0.05 . 1 . . . . 64 THR CG2 . 15679 1 624 . 1 1 64 64 THR N N 15 117.400 0.047 . 1 . . . . 64 THR N . 15679 1 625 . 1 1 65 65 LEU H H 1 8.456 0.012 . 1 . . . . 65 LEU H . 15679 1 626 . 1 1 65 65 LEU HA H 1 4.642 0.030 . 1 . . . . 65 LEU HA . 15679 1 627 . 1 1 65 65 LEU HB2 H 1 -1.049 0.02 . 1 . . . . 65 LEU HB2 . 15679 1 628 . 1 1 65 65 LEU HB3 H 1 0.265 0.02 . 1 . . . . 65 LEU HB3 . 15679 1 629 . 1 1 65 65 LEU HD11 H 1 0.386 0.003 . 2 . . . . 65 LEU HD11 . 15679 1 630 . 1 1 65 65 LEU HD12 H 1 0.386 0.003 . 2 . . . . 65 LEU HD12 . 15679 1 631 . 1 1 65 65 LEU HD13 H 1 0.386 0.003 . 2 . . . . 65 LEU HD13 . 15679 1 632 . 1 1 65 65 LEU HD21 H 1 0.454 0.02 . 2 . . . . 65 LEU HD21 . 15679 1 633 . 1 1 65 65 LEU HD22 H 1 0.454 0.02 . 2 . . . . 65 LEU HD22 . 15679 1 634 . 1 1 65 65 LEU HD23 H 1 0.454 0.02 . 2 . . . . 65 LEU HD23 . 15679 1 635 . 1 1 65 65 LEU HG H 1 1.036 0.02 . 1 . . . . 65 LEU HG . 15679 1 636 . 1 1 65 65 LEU CA C 13 52.783 0.055 . 1 . . . . 65 LEU CA . 15679 1 637 . 1 1 65 65 LEU CB C 13 41.350 0.05 . 1 . . . . 65 LEU CB . 15679 1 638 . 1 1 65 65 LEU CD1 C 13 23.288 0.05 . 2 . . . . 65 LEU CD1 . 15679 1 639 . 1 1 65 65 LEU CD2 C 13 25.721 0.05 . 2 . . . . 65 LEU CD2 . 15679 1 640 . 1 1 65 65 LEU CG C 13 27.621 0.05 . 1 . . . . 65 LEU CG . 15679 1 641 . 1 1 65 65 LEU N N 15 129.806 0.088 . 1 . . . . 65 LEU N . 15679 1 642 . 1 1 66 66 THR H H 1 9.381 0.014 . 1 . . . . 66 THR H . 15679 1 643 . 1 1 66 66 THR HA H 1 4.975 0.020 . 1 . . . . 66 THR HA . 15679 1 644 . 1 1 66 66 THR HB H 1 3.668 0.029 . 1 . . . . 66 THR HB . 15679 1 645 . 1 1 66 66 THR HG21 H 1 0.884 0.031 . 1 . . . . 66 THR HG21 . 15679 1 646 . 1 1 66 66 THR HG22 H 1 0.884 0.031 . 1 . . . . 66 THR HG22 . 15679 1 647 . 1 1 66 66 THR HG23 H 1 0.884 0.031 . 1 . . . . 66 THR HG23 . 15679 1 648 . 1 1 66 66 THR CA C 13 61.072 0.092 . 1 . . . . 66 THR CA . 15679 1 649 . 1 1 66 66 THR CB C 13 70.346 0.011 . 1 . . . . 66 THR CB . 15679 1 650 . 1 1 66 66 THR CG2 C 13 20.199 0.05 . 1 . . . . 66 THR CG2 . 15679 1 651 . 1 1 66 66 THR N N 15 123.110 0.041 . 1 . . . . 66 THR N . 15679 1 652 . 1 1 67 67 VAL H H 1 9.493 0.014 . 1 . . . . 67 VAL H . 15679 1 653 . 1 1 67 67 VAL HA H 1 4.317 0.023 . 1 . . . . 67 VAL HA . 15679 1 654 . 1 1 67 67 VAL HB H 1 2.034 0.027 . 1 . . . . 67 VAL HB . 15679 1 655 . 1 1 67 67 VAL HG11 H 1 0.854 0.021 . 1 . . . . 67 VAL HG11 . 15679 1 656 . 1 1 67 67 VAL HG12 H 1 0.854 0.021 . 1 . . . . 67 VAL HG12 . 15679 1 657 . 1 1 67 67 VAL HG13 H 1 0.854 0.021 . 1 . . . . 67 VAL HG13 . 15679 1 658 . 1 1 67 67 VAL HG21 H 1 0.854 0.021 . 1 . . . . 67 VAL HG21 . 15679 1 659 . 1 1 67 67 VAL HG22 H 1 0.854 0.021 . 1 . . . . 67 VAL HG22 . 15679 1 660 . 1 1 67 67 VAL HG23 H 1 0.854 0.021 . 1 . . . . 67 VAL HG23 . 15679 1 661 . 1 1 67 67 VAL CA C 13 61.300 0.082 . 1 . . . . 67 VAL CA . 15679 1 662 . 1 1 67 67 VAL CB C 13 31.636 0.079 . 1 . . . . 67 VAL CB . 15679 1 663 . 1 1 67 67 VAL CG1 C 13 21.786 0.05 . 1 . . . . 67 VAL CG1 . 15679 1 664 . 1 1 67 67 VAL CG2 C 13 19.338 0.05 . 1 . . . . 67 VAL CG2 . 15679 1 665 . 1 1 67 67 VAL N N 15 128.451 0.060 . 1 . . . . 67 VAL N . 15679 1 666 . 1 1 68 68 ARG H H 1 8.500 0.007 . 1 . . . . 68 ARG H . 15679 1 667 . 1 1 68 68 ARG HA H 1 3.839 0.02 . 1 . . . . 68 ARG HA . 15679 1 668 . 1 1 68 68 ARG HB2 H 1 1.637 0.02 . 1 . . . . 68 ARG HB2 . 15679 1 669 . 1 1 68 68 ARG HB3 H 1 1.586 0.02 . 1 . . . . 68 ARG HB3 . 15679 1 670 . 1 1 68 68 ARG HD2 H 1 3.004 0.02 . 1 . . . . 68 ARG HD2 . 15679 1 671 . 1 1 68 68 ARG HD3 H 1 3.004 0.02 . 1 . . . . 68 ARG HD3 . 15679 1 672 . 1 1 68 68 ARG HG2 H 1 1.295 0.02 . 2 . . . . 68 ARG HG2 . 15679 1 673 . 1 1 68 68 ARG HG3 H 1 1.412 0.02 . 2 . . . . 68 ARG HG3 . 15679 1 674 . 1 1 68 68 ARG CA C 13 57.379 0.05 . 1 . . . . 68 ARG CA . 15679 1 675 . 1 1 68 68 ARG CB C 13 30.481 0.05 . 1 . . . . 68 ARG CB . 15679 1 676 . 1 1 68 68 ARG CD C 13 42.878 0.05 . 1 . . . . 68 ARG CD . 15679 1 677 . 1 1 68 68 ARG CG C 13 29.809 0.05 . 1 . . . . 68 ARG CG . 15679 1 678 . 1 1 68 68 ARG N N 15 124.308 0.010 . 1 . . . . 68 ARG N . 15679 1 679 . 1 1 69 69 GLU H H 1 8.545 0.012 . 1 . . . . 69 GLU H . 15679 1 680 . 1 1 69 69 GLU HA H 1 3.147 0.022 . 1 . . . . 69 GLU HA . 15679 1 681 . 1 1 69 69 GLU HB2 H 1 1.854 0.021 . 1 . . . . 69 GLU HB2 . 15679 1 682 . 1 1 69 69 GLU HB3 H 1 1.626 0.023 . 1 . . . . 69 GLU HB3 . 15679 1 683 . 1 1 69 69 GLU HG2 H 1 2.036 0.033 . 1 . . . . 69 GLU HG2 . 15679 1 684 . 1 1 69 69 GLU HG3 H 1 2.036 0.033 . 1 . . . . 69 GLU HG3 . 15679 1 685 . 1 1 69 69 GLU CA C 13 55.733 0.055 . 1 . . . . 69 GLU CA . 15679 1 686 . 1 1 69 69 GLU CB C 13 28.793 0.058 . 1 . . . . 69 GLU CB . 15679 1 687 . 1 1 69 69 GLU CG C 13 36.565 0.05 . 1 . . . . 69 GLU CG . 15679 1 688 . 1 1 69 69 GLU N N 15 118.177 0.064 . 1 . . . . 69 GLU N . 15679 1 689 . 1 1 70 70 VAL H H 1 7.771 0.013 . 1 . . . . 70 VAL H . 15679 1 690 . 1 1 70 70 VAL HA H 1 3.810 0.026 . 1 . . . . 70 VAL HA . 15679 1 691 . 1 1 70 70 VAL HB H 1 2.044 0.026 . 1 . . . . 70 VAL HB . 15679 1 692 . 1 1 70 70 VAL HG11 H 1 0.779 0.037 . 2 . . . . 70 VAL HG11 . 15679 1 693 . 1 1 70 70 VAL HG12 H 1 0.779 0.037 . 2 . . . . 70 VAL HG12 . 15679 1 694 . 1 1 70 70 VAL HG13 H 1 0.779 0.037 . 2 . . . . 70 VAL HG13 . 15679 1 695 . 1 1 70 70 VAL HG21 H 1 0.872 0.039 . 2 . . . . 70 VAL HG21 . 15679 1 696 . 1 1 70 70 VAL HG22 H 1 0.872 0.039 . 2 . . . . 70 VAL HG22 . 15679 1 697 . 1 1 70 70 VAL HG23 H 1 0.872 0.039 . 2 . . . . 70 VAL HG23 . 15679 1 698 . 1 1 70 70 VAL CA C 13 63.848 0.016 . 1 . . . . 70 VAL CA . 15679 1 699 . 1 1 70 70 VAL CB C 13 31.885 0.049 . 1 . . . . 70 VAL CB . 15679 1 700 . 1 1 70 70 VAL CG1 C 13 23.112 0.05 . 2 . . . . 70 VAL CG1 . 15679 1 701 . 1 1 70 70 VAL CG2 C 13 23.209 0.05 . 2 . . . . 70 VAL CG2 . 15679 1 702 . 1 1 70 70 VAL N N 15 117.579 0.020 . 1 . . . . 70 VAL N . 15679 1 703 . 1 1 71 71 GLY H H 1 9.389 0.013 . 1 . . . . 71 GLY H . 15679 1 704 . 1 1 71 71 GLY HA2 H 1 4.470 0.025 . 1 . . . . 71 GLY HA2 . 15679 1 705 . 1 1 71 71 GLY HA3 H 1 3.895 0.025 . 1 . . . . 71 GLY HA3 . 15679 1 706 . 1 1 71 71 GLY CA C 13 43.915 0.054 . 1 . . . . 71 GLY CA . 15679 1 707 . 1 1 71 71 GLY N N 15 114.169 0.050 . 1 . . . . 71 GLY N . 15679 1 708 . 1 1 72 72 PRO HA H 1 4.038 0.02 . 1 . . . . 72 PRO HA . 15679 1 709 . 1 1 72 72 PRO HB2 H 1 2.325 0.02 . 1 . . . . 72 PRO HB2 . 15679 1 710 . 1 1 72 72 PRO HB3 H 1 1.900 0.02 . 1 . . . . 72 PRO HB3 . 15679 1 711 . 1 1 72 72 PRO HD2 H 1 3.404 0.02 . 2 . . . . 72 PRO HD2 . 15679 1 712 . 1 1 72 72 PRO HD3 H 1 3.726 0.02 . 2 . . . . 72 PRO HD3 . 15679 1 713 . 1 1 72 72 PRO HG2 H 1 1.908 0.02 . 1 . . . . 72 PRO HG2 . 15679 1 714 . 1 1 72 72 PRO HG3 H 1 2.095 0.02 . 1 . . . . 72 PRO HG3 . 15679 1 715 . 1 1 72 72 PRO CA C 13 65.800 0.05 . 1 . . . . 72 PRO CA . 15679 1 716 . 1 1 72 72 PRO CB C 13 31.553 0.05 . 1 . . . . 72 PRO CB . 15679 1 717 . 1 1 72 72 PRO CD C 13 49.371 0.05 . 1 . . . . 72 PRO CD . 15679 1 718 . 1 1 72 72 PRO CG C 13 27.502 0.05 . 1 . . . . 72 PRO CG . 15679 1 719 . 1 1 73 73 ALA H H 1 8.558 0.011 . 1 . . . . 73 ALA H . 15679 1 720 . 1 1 73 73 ALA HA H 1 4.186 0.027 . 1 . . . . 73 ALA HA . 15679 1 721 . 1 1 73 73 ALA HB1 H 1 1.352 0.030 . 1 . . . . 73 ALA HB1 . 15679 1 722 . 1 1 73 73 ALA HB2 H 1 1.352 0.030 . 1 . . . . 73 ALA HB2 . 15679 1 723 . 1 1 73 73 ALA HB3 H 1 1.352 0.030 . 1 . . . . 73 ALA HB3 . 15679 1 724 . 1 1 73 73 ALA CA C 13 53.826 0.036 . 1 . . . . 73 ALA CA . 15679 1 725 . 1 1 73 73 ALA CB C 13 18.152 0.040 . 1 . . . . 73 ALA CB . 15679 1 726 . 1 1 73 73 ALA N N 15 118.164 0.029 . 1 . . . . 73 ALA N . 15679 1 727 . 1 1 74 74 ASP H H 1 8.381 0.015 . 1 . . . . 74 ASP H . 15679 1 728 . 1 1 74 74 ASP HA H 1 4.586 0.022 . 1 . . . . 74 ASP HA . 15679 1 729 . 1 1 74 74 ASP HB2 H 1 2.638 0.022 . 1 . . . . 74 ASP HB2 . 15679 1 730 . 1 1 74 74 ASP HB3 H 1 2.859 0.036 . 1 . . . . 74 ASP HB3 . 15679 1 731 . 1 1 74 74 ASP CA C 13 55.178 0.070 . 1 . . . . 74 ASP CA . 15679 1 732 . 1 1 74 74 ASP CB C 13 42.280 0.048 . 1 . . . . 74 ASP CB . 15679 1 733 . 1 1 74 74 ASP N N 15 113.856 0.045 . 1 . . . . 74 ASP N . 15679 1 734 . 1 1 75 75 GLN H H 1 7.409 0.014 . 1 . . . . 75 GLN H . 15679 1 735 . 1 1 75 75 GLN HA H 1 4.252 0.028 . 1 . . . . 75 GLN HA . 15679 1 736 . 1 1 75 75 GLN HB2 H 1 2.007 0.02 . 1 . . . . 75 GLN HB2 . 15679 1 737 . 1 1 75 75 GLN HB3 H 1 1.889 0.02 . 1 . . . . 75 GLN HB3 . 15679 1 738 . 1 1 75 75 GLN HG2 H 1 2.144 0.02 . 2 . . . . 75 GLN HG2 . 15679 1 739 . 1 1 75 75 GLN HG3 H 1 2.191 0.02 . 2 . . . . 75 GLN HG3 . 15679 1 740 . 1 1 75 75 GLN CA C 13 56.682 0.045 . 1 . . . . 75 GLN CA . 15679 1 741 . 1 1 75 75 GLN CB C 13 30.337 0.041 . 1 . . . . 75 GLN CB . 15679 1 742 . 1 1 75 75 GLN CG C 13 36.612 0.05 . 1 . . . . 75 GLN CG . 15679 1 743 . 1 1 75 75 GLN N N 15 119.456 0.078 . 1 . . . . 75 GLN N . 15679 1 744 . 1 1 76 76 GLY H H 1 8.984 0.015 . 1 . . . . 76 GLY H . 15679 1 745 . 1 1 76 76 GLY HA2 H 1 4.610 0.023 . 1 . . . . 76 GLY HA2 . 15679 1 746 . 1 1 76 76 GLY HA3 H 1 3.863 0.030 . 1 . . . . 76 GLY HA3 . 15679 1 747 . 1 1 76 76 GLY CA C 13 44.149 0.049 . 1 . . . . 76 GLY CA . 15679 1 748 . 1 1 76 76 GLY N N 15 112.000 0.106 . 1 . . . . 76 GLY N . 15679 1 749 . 1 1 77 77 SER H H 1 8.106 0.011 . 1 . . . . 77 SER H . 15679 1 750 . 1 1 77 77 SER HA H 1 5.009 0.023 . 1 . . . . 77 SER HA . 15679 1 751 . 1 1 77 77 SER HB2 H 1 3.609 0.02 . 1 . . . . 77 SER HB2 . 15679 1 752 . 1 1 77 77 SER HB3 H 1 3.583 0.02 . 1 . . . . 77 SER HB3 . 15679 1 753 . 1 1 77 77 SER CA C 13 58.199 0.055 . 1 . . . . 77 SER CA . 15679 1 754 . 1 1 77 77 SER CB C 13 64.099 0.043 . 1 . . . . 77 SER CB . 15679 1 755 . 1 1 77 77 SER N N 15 114.587 0.050 . 1 . . . . 77 SER N . 15679 1 756 . 1 1 78 78 TYR H H 1 9.056 0.014 . 1 . . . . 78 TYR H . 15679 1 757 . 1 1 78 78 TYR HA H 1 4.530 0.023 . 1 . . . . 78 TYR HA . 15679 1 758 . 1 1 78 78 TYR HB2 H 1 2.121 0.019 . 1 . . . . 78 TYR HB2 . 15679 1 759 . 1 1 78 78 TYR HB3 H 1 1.199 0.024 . 1 . . . . 78 TYR HB3 . 15679 1 760 . 1 1 78 78 TYR HD1 H 1 6.836 0.008 . 3 . . . . 78 TYR HD1 . 15679 1 761 . 1 1 78 78 TYR HD2 H 1 6.836 0.008 . 3 . . . . 78 TYR HD2 . 15679 1 762 . 1 1 78 78 TYR HE1 H 1 6.590 0.005 . 3 . . . . 78 TYR HE1 . 15679 1 763 . 1 1 78 78 TYR HE2 H 1 6.590 0.005 . 3 . . . . 78 TYR HE2 . 15679 1 764 . 1 1 78 78 TYR CA C 13 56.450 0.056 . 1 . . . . 78 TYR CA . 15679 1 765 . 1 1 78 78 TYR CB C 13 43.805 0.063 . 1 . . . . 78 TYR CB . 15679 1 766 . 1 1 78 78 TYR CD1 C 13 133.581 0.069 . 3 . . . . 78 TYR CD1 . 15679 1 767 . 1 1 78 78 TYR CD2 C 13 133.581 0.069 . 3 . . . . 78 TYR CD2 . 15679 1 768 . 1 1 78 78 TYR CE1 C 13 117.163 0.05 . 3 . . . . 78 TYR CE1 . 15679 1 769 . 1 1 78 78 TYR CE2 C 13 117.163 0.05 . 3 . . . . 78 TYR CE2 . 15679 1 770 . 1 1 78 78 TYR N N 15 127.751 0.074 . 1 . . . . 78 TYR N . 15679 1 771 . 1 1 79 79 ALA H H 1 8.558 0.015 . 1 . . . . 79 ALA H . 15679 1 772 . 1 1 79 79 ALA HA H 1 5.233 0.023 . 1 . . . . 79 ALA HA . 15679 1 773 . 1 1 79 79 ALA HB1 H 1 1.027 0.019 . 1 . . . . 79 ALA HB1 . 15679 1 774 . 1 1 79 79 ALA HB2 H 1 1.027 0.019 . 1 . . . . 79 ALA HB2 . 15679 1 775 . 1 1 79 79 ALA HB3 H 1 1.027 0.019 . 1 . . . . 79 ALA HB3 . 15679 1 776 . 1 1 79 79 ALA CA C 13 50.806 0.080 . 1 . . . . 79 ALA CA . 15679 1 777 . 1 1 79 79 ALA CB C 13 23.130 0.037 . 1 . . . . 79 ALA CB . 15679 1 778 . 1 1 79 79 ALA N N 15 118.647 0.065 . 1 . . . . 79 ALA N . 15679 1 779 . 1 1 80 80 VAL H H 1 8.717 0.011 . 1 . . . . 80 VAL H . 15679 1 780 . 1 1 80 80 VAL HA H 1 4.905 0.020 . 1 . . . . 80 VAL HA . 15679 1 781 . 1 1 80 80 VAL HB H 1 1.464 0.025 . 1 . . . . 80 VAL HB . 15679 1 782 . 1 1 80 80 VAL HG11 H 1 -0.604 0.02 . 2 . . . . 80 VAL HG11 . 15679 1 783 . 1 1 80 80 VAL HG12 H 1 -0.604 0.02 . 2 . . . . 80 VAL HG12 . 15679 1 784 . 1 1 80 80 VAL HG13 H 1 -0.604 0.02 . 2 . . . . 80 VAL HG13 . 15679 1 785 . 1 1 80 80 VAL HG21 H 1 0.133 0.034 . 2 . . . . 80 VAL HG21 . 15679 1 786 . 1 1 80 80 VAL HG22 H 1 0.133 0.034 . 2 . . . . 80 VAL HG22 . 15679 1 787 . 1 1 80 80 VAL HG23 H 1 0.133 0.034 . 2 . . . . 80 VAL HG23 . 15679 1 788 . 1 1 80 80 VAL CA C 13 58.760 0.086 . 1 . . . . 80 VAL CA . 15679 1 789 . 1 1 80 80 VAL CB C 13 35.087 0.148 . 1 . . . . 80 VAL CB . 15679 1 790 . 1 1 80 80 VAL CG1 C 13 20.518 0.05 . 1 . . . . 80 VAL CG1 . 15679 1 791 . 1 1 80 80 VAL CG2 C 13 19.044 0.05 . 1 . . . . 80 VAL CG2 . 15679 1 792 . 1 1 80 80 VAL N N 15 118.846 0.057 . 1 . . . . 80 VAL N . 15679 1 793 . 1 1 81 81 ILE H H 1 8.739 0.014 . 1 . . . . 81 ILE H . 15679 1 794 . 1 1 81 81 ILE HA H 1 5.012 0.019 . 1 . . . . 81 ILE HA . 15679 1 795 . 1 1 81 81 ILE HB H 1 1.342 0.003 . 1 . . . . 81 ILE HB . 15679 1 796 . 1 1 81 81 ILE HD11 H 1 0.516 0.02 . 1 . . . . 81 ILE HD11 . 15679 1 797 . 1 1 81 81 ILE HD12 H 1 0.516 0.02 . 1 . . . . 81 ILE HD12 . 15679 1 798 . 1 1 81 81 ILE HD13 H 1 0.516 0.02 . 1 . . . . 81 ILE HD13 . 15679 1 799 . 1 1 81 81 ILE HG12 H 1 1.140 0.02 . 1 . . . . 81 ILE HG12 . 15679 1 800 . 1 1 81 81 ILE HG13 H 1 0.679 0.02 . 1 . . . . 81 ILE HG13 . 15679 1 801 . 1 1 81 81 ILE HG21 H 1 0.643 0.02 . 1 . . . . 81 ILE HG21 . 15679 1 802 . 1 1 81 81 ILE HG22 H 1 0.643 0.02 . 1 . . . . 81 ILE HG22 . 15679 1 803 . 1 1 81 81 ILE HG23 H 1 0.643 0.02 . 1 . . . . 81 ILE HG23 . 15679 1 804 . 1 1 81 81 ILE CA C 13 59.751 0.156 . 1 . . . . 81 ILE CA . 15679 1 805 . 1 1 81 81 ILE CB C 13 42.030 0.065 . 1 . . . . 81 ILE CB . 15679 1 806 . 1 1 81 81 ILE CD1 C 13 13.667 0.05 . 1 . . . . 81 ILE CD1 . 15679 1 807 . 1 1 81 81 ILE CG1 C 13 27.852 0.05 . 1 . . . . 81 ILE CG1 . 15679 1 808 . 1 1 81 81 ILE CG2 C 13 17.484 0.05 . 1 . . . . 81 ILE CG2 . 15679 1 809 . 1 1 81 81 ILE N N 15 126.232 0.051 . 1 . . . . 81 ILE N . 15679 1 810 . 1 1 82 82 ALA H H 1 8.388 0.012 . 1 . . . . 82 ALA H . 15679 1 811 . 1 1 82 82 ALA HA H 1 4.449 0.024 . 1 . . . . 82 ALA HA . 15679 1 812 . 1 1 82 82 ALA HB1 H 1 0.498 0.027 . 1 . . . . 82 ALA HB1 . 15679 1 813 . 1 1 82 82 ALA HB2 H 1 0.498 0.027 . 1 . . . . 82 ALA HB2 . 15679 1 814 . 1 1 82 82 ALA HB3 H 1 0.498 0.027 . 1 . . . . 82 ALA HB3 . 15679 1 815 . 1 1 82 82 ALA CA C 13 50.839 0.042 . 1 . . . . 82 ALA CA . 15679 1 816 . 1 1 82 82 ALA CB C 13 21.160 0.023 . 1 . . . . 82 ALA CB . 15679 1 817 . 1 1 82 82 ALA N N 15 128.273 0.048 . 1 . . . . 82 ALA N . 15679 1 818 . 1 1 83 83 GLY H H 1 8.841 0.014 . 1 . . . . 83 GLY H . 15679 1 819 . 1 1 83 83 GLY HA2 H 1 3.815 0.029 . 1 . . . . 83 GLY HA2 . 15679 1 820 . 1 1 83 83 GLY HA3 H 1 3.509 0.026 . 1 . . . . 83 GLY HA3 . 15679 1 821 . 1 1 83 83 GLY CA C 13 46.917 0.036 . 1 . . . . 83 GLY CA . 15679 1 822 . 1 1 83 83 GLY N N 15 113.065 0.051 . 1 . . . . 83 GLY N . 15679 1 823 . 1 1 85 85 SER H H 1 8.423 0.013 . 1 . . . . 85 SER H . 15679 1 824 . 1 1 85 85 SER HA H 1 4.659 0.002 . 1 . . . . 85 SER HA . 15679 1 825 . 1 1 85 85 SER HB2 H 1 3.951 0.02 . 1 . . . . 85 SER HB2 . 15679 1 826 . 1 1 85 85 SER HB3 H 1 3.956 0.02 . 1 . . . . 85 SER HB3 . 15679 1 827 . 1 1 85 85 SER CA C 13 58.485 0.018 . 1 . . . . 85 SER CA . 15679 1 828 . 1 1 85 85 SER CB C 13 64.397 0.008 . 1 . . . . 85 SER CB . 15679 1 829 . 1 1 85 85 SER N N 15 119.428 0.051 . 1 . . . . 85 SER N . 15679 1 830 . 1 1 86 86 LYS H H 1 8.490 0.006 . 1 . . . . 86 LYS H . 15679 1 831 . 1 1 86 86 LYS HA H 1 5.243 0.023 . 1 . . . . 86 LYS HA . 15679 1 832 . 1 1 86 86 LYS HB2 H 1 1.631 0.02 . 1 . . . . 86 LYS HB2 . 15679 1 833 . 1 1 86 86 LYS HB3 H 1 1.507 0.02 . 1 . . . . 86 LYS HB3 . 15679 1 834 . 1 1 86 86 LYS HD2 H 1 1.431 0.02 . 1 . . . . 86 LYS HD2 . 15679 1 835 . 1 1 86 86 LYS HD3 H 1 1.431 0.02 . 1 . . . . 86 LYS HD3 . 15679 1 836 . 1 1 86 86 LYS HE2 H 1 2.592 0.02 . 1 . . . . 86 LYS HE2 . 15679 1 837 . 1 1 86 86 LYS HE3 H 1 2.592 0.02 . 1 . . . . 86 LYS HE3 . 15679 1 838 . 1 1 86 86 LYS HG2 H 1 0.943 0.02 . 2 . . . . 86 LYS HG2 . 15679 1 839 . 1 1 86 86 LYS HG3 H 1 1.040 0.02 . 2 . . . . 86 LYS HG3 . 15679 1 840 . 1 1 86 86 LYS CA C 13 54.822 0.053 . 1 . . . . 86 LYS CA . 15679 1 841 . 1 1 86 86 LYS CB C 13 35.340 0.183 . 1 . . . . 86 LYS CB . 15679 1 842 . 1 1 86 86 LYS CD C 13 29.225 0.05 . 1 . . . . 86 LYS CD . 15679 1 843 . 1 1 86 86 LYS CE C 13 41.340 0.05 . 1 . . . . 86 LYS CE . 15679 1 844 . 1 1 86 86 LYS CG C 13 24.861 0.05 . 1 . . . . 86 LYS CG . 15679 1 845 . 1 1 86 86 LYS N N 15 125.678 0.042 . 1 . . . . 86 LYS N . 15679 1 846 . 1 1 87 87 VAL H H 1 8.863 0.013 . 1 . . . . 87 VAL H . 15679 1 847 . 1 1 87 87 VAL HA H 1 4.300 0.033 . 1 . . . . 87 VAL HA . 15679 1 848 . 1 1 87 87 VAL HB H 1 1.633 0.024 . 1 . . . . 87 VAL HB . 15679 1 849 . 1 1 87 87 VAL HG11 H 1 0.840 0.031 . 2 . . . . 87 VAL HG11 . 15679 1 850 . 1 1 87 87 VAL HG12 H 1 0.840 0.031 . 2 . . . . 87 VAL HG12 . 15679 1 851 . 1 1 87 87 VAL HG13 H 1 0.840 0.031 . 2 . . . . 87 VAL HG13 . 15679 1 852 . 1 1 87 87 VAL HG21 H 1 0.571 0.012 . 2 . . . . 87 VAL HG21 . 15679 1 853 . 1 1 87 87 VAL HG22 H 1 0.571 0.012 . 2 . . . . 87 VAL HG22 . 15679 1 854 . 1 1 87 87 VAL HG23 H 1 0.571 0.012 . 2 . . . . 87 VAL HG23 . 15679 1 855 . 1 1 87 87 VAL CA C 13 60.870 0.052 . 1 . . . . 87 VAL CA . 15679 1 856 . 1 1 87 87 VAL CB C 13 34.228 0.041 . 1 . . . . 87 VAL CB . 15679 1 857 . 1 1 87 87 VAL CG1 C 13 21.238 0.05 . 2 . . . . 87 VAL CG1 . 15679 1 858 . 1 1 87 87 VAL CG2 C 13 21.404 0.05 . 2 . . . . 87 VAL CG2 . 15679 1 859 . 1 1 87 87 VAL N N 15 126.631 0.070 . 1 . . . . 87 VAL N . 15679 1 860 . 1 1 88 88 LYS H H 1 8.475 0.005 . 1 . . . . 88 LYS H . 15679 1 861 . 1 1 88 88 LYS HA H 1 5.065 0.022 . 1 . . . . 88 LYS HA . 15679 1 862 . 1 1 88 88 LYS HB2 H 1 1.756 0.02 . 1 . . . . 88 LYS HB2 . 15679 1 863 . 1 1 88 88 LYS HB3 H 1 1.615 0.02 . 1 . . . . 88 LYS HB3 . 15679 1 864 . 1 1 88 88 LYS HD2 H 1 1.527 0.02 . 1 . . . . 88 LYS HD2 . 15679 1 865 . 1 1 88 88 LYS HD3 H 1 1.527 0.02 . 1 . . . . 88 LYS HD3 . 15679 1 866 . 1 1 88 88 LYS HE2 H 1 2.784 0.02 . 1 . . . . 88 LYS HE2 . 15679 1 867 . 1 1 88 88 LYS HE3 H 1 2.784 0.02 . 1 . . . . 88 LYS HE3 . 15679 1 868 . 1 1 88 88 LYS HG2 H 1 1.245 0.02 . 2 . . . . 88 LYS HG2 . 15679 1 869 . 1 1 88 88 LYS HG3 H 1 1.354 0.02 . 2 . . . . 88 LYS HG3 . 15679 1 870 . 1 1 88 88 LYS CA C 13 55.124 0.056 . 1 . . . . 88 LYS CA . 15679 1 871 . 1 1 88 88 LYS CB C 13 34.479 0.046 . 1 . . . . 88 LYS CB . 15679 1 872 . 1 1 88 88 LYS CD C 13 29.073 0.05 . 1 . . . . 88 LYS CD . 15679 1 873 . 1 1 88 88 LYS CG C 13 24.829 0.05 . 1 . . . . 88 LYS CG . 15679 1 874 . 1 1 88 88 LYS N N 15 125.592 0.039 . 1 . . . . 88 LYS N . 15679 1 875 . 1 1 89 89 PHE H H 1 8.152 0.015 . 1 . . . . 89 PHE H . 15679 1 876 . 1 1 89 89 PHE HA H 1 4.601 0.074 . 1 . . . . 89 PHE HA . 15679 1 877 . 1 1 89 89 PHE HB2 H 1 2.657 0.038 . 1 . . . . 89 PHE HB2 . 15679 1 878 . 1 1 89 89 PHE HB3 H 1 2.886 0.026 . 1 . . . . 89 PHE HB3 . 15679 1 879 . 1 1 89 89 PHE HD1 H 1 6.387 0.008 . 3 . . . . 89 PHE HD1 . 15679 1 880 . 1 1 89 89 PHE HD2 H 1 6.387 0.008 . 3 . . . . 89 PHE HD2 . 15679 1 881 . 1 1 89 89 PHE HE1 H 1 5.811 0.005 . 3 . . . . 89 PHE HE1 . 15679 1 882 . 1 1 89 89 PHE HE2 H 1 5.811 0.005 . 3 . . . . 89 PHE HE2 . 15679 1 883 . 1 1 89 89 PHE HZ H 1 6.748 0.006 . 1 . . . . 89 PHE HZ . 15679 1 884 . 1 1 89 89 PHE CA C 13 56.311 0.048 . 1 . . . . 89 PHE CA . 15679 1 885 . 1 1 89 89 PHE CB C 13 39.383 0.078 . 1 . . . . 89 PHE CB . 15679 1 886 . 1 1 89 89 PHE CD1 C 13 133.287 0.020 . 3 . . . . 89 PHE CD1 . 15679 1 887 . 1 1 89 89 PHE CD2 C 13 133.287 0.020 . 3 . . . . 89 PHE CD2 . 15679 1 888 . 1 1 89 89 PHE N N 15 119.005 0.075 . 1 . . . . 89 PHE N . 15679 1 889 . 1 1 90 90 ASP H H 1 9.006 0.012 . 1 . . . . 90 ASP H . 15679 1 890 . 1 1 90 90 ASP HA H 1 5.565 0.021 . 1 . . . . 90 ASP HA . 15679 1 891 . 1 1 90 90 ASP HB2 H 1 2.464 0.024 . 1 . . . . 90 ASP HB2 . 15679 1 892 . 1 1 90 90 ASP HB3 H 1 2.464 0.024 . 1 . . . . 90 ASP HB3 . 15679 1 893 . 1 1 90 90 ASP CA C 13 53.532 0.062 . 1 . . . . 90 ASP CA . 15679 1 894 . 1 1 90 90 ASP CB C 13 45.151 0.060 . 1 . . . . 90 ASP CB . 15679 1 895 . 1 1 90 90 ASP N N 15 118.742 0.087 . 1 . . . . 90 ASP N . 15679 1 896 . 1 1 91 91 LEU H H 1 8.733 0.013 . 1 . . . . 91 LEU H . 15679 1 897 . 1 1 91 91 LEU HA H 1 5.137 0.027 . 1 . . . . 91 LEU HA . 15679 1 898 . 1 1 91 91 LEU HB2 H 1 1.358 0.02 . 1 . . . . 91 LEU HB2 . 15679 1 899 . 1 1 91 91 LEU HB3 H 1 2.245 0.02 . 1 . . . . 91 LEU HB3 . 15679 1 900 . 1 1 91 91 LEU HD11 H 1 0.692 0.02 . 2 . . . . 91 LEU HD11 . 15679 1 901 . 1 1 91 91 LEU HD12 H 1 0.692 0.02 . 2 . . . . 91 LEU HD12 . 15679 1 902 . 1 1 91 91 LEU HD13 H 1 0.692 0.02 . 2 . . . . 91 LEU HD13 . 15679 1 903 . 1 1 91 91 LEU HD21 H 1 0.831 0.020 . 2 . . . . 91 LEU HD21 . 15679 1 904 . 1 1 91 91 LEU HD22 H 1 0.831 0.020 . 2 . . . . 91 LEU HD22 . 15679 1 905 . 1 1 91 91 LEU HD23 H 1 0.831 0.020 . 2 . . . . 91 LEU HD23 . 15679 1 906 . 1 1 91 91 LEU HG H 1 1.358 0.02 . 1 . . . . 91 LEU HG . 15679 1 907 . 1 1 91 91 LEU CA C 13 54.171 0.016 . 1 . . . . 91 LEU CA . 15679 1 908 . 1 1 91 91 LEU CB C 13 45.625 0.004 . 1 . . . . 91 LEU CB . 15679 1 909 . 1 1 91 91 LEU CD2 C 13 24.928 0.05 . 1 . . . . 91 LEU CD2 . 15679 1 910 . 1 1 91 91 LEU CG C 13 28.631 0.05 . 1 . . . . 91 LEU CG . 15679 1 911 . 1 1 91 91 LEU N N 15 121.344 0.045 . 1 . . . . 91 LEU N . 15679 1 912 . 1 1 92 92 LYS H H 1 8.892 0.012 . 1 . . . . 92 LYS H . 15679 1 913 . 1 1 92 92 LYS HA H 1 4.733 0.021 . 1 . . . . 92 LYS HA . 15679 1 914 . 1 1 92 92 LYS HB2 H 1 1.799 0.02 . 1 . . . . 92 LYS HB2 . 15679 1 915 . 1 1 92 92 LYS HB3 H 1 1.706 0.02 . 1 . . . . 92 LYS HB3 . 15679 1 916 . 1 1 92 92 LYS HD2 H 1 1.617 0.02 . 1 . . . . 92 LYS HD2 . 15679 1 917 . 1 1 92 92 LYS HD3 H 1 1.617 0.02 . 1 . . . . 92 LYS HD3 . 15679 1 918 . 1 1 92 92 LYS HE2 H 1 2.882 0.02 . 1 . . . . 92 LYS HE2 . 15679 1 919 . 1 1 92 92 LYS HE3 H 1 2.882 0.02 . 1 . . . . 92 LYS HE3 . 15679 1 920 . 1 1 92 92 LYS HG2 H 1 1.287 0.02 . 2 . . . . 92 LYS HG2 . 15679 1 921 . 1 1 92 92 LYS HG3 H 1 1.407 0.02 . 2 . . . . 92 LYS HG3 . 15679 1 922 . 1 1 92 92 LYS CA C 13 54.910 0.058 . 1 . . . . 92 LYS CA . 15679 1 923 . 1 1 92 92 LYS CB C 13 35.261 0.070 . 1 . . . . 92 LYS CB . 15679 1 924 . 1 1 92 92 LYS CD C 13 28.775 0.05 . 1 . . . . 92 LYS CD . 15679 1 925 . 1 1 92 92 LYS CE C 13 41.729 0.05 . 1 . . . . 92 LYS CE . 15679 1 926 . 1 1 92 92 LYS CG C 13 25.087 0.05 . 1 . . . . 92 LYS CG . 15679 1 927 . 1 1 92 92 LYS N N 15 128.486 0.035 . 1 . . . . 92 LYS N . 15679 1 928 . 1 1 93 93 VAL H H 1 8.563 0.008 . 1 . . . . 93 VAL H . 15679 1 929 . 1 1 93 93 VAL HA H 1 4.818 0.022 . 1 . . . . 93 VAL HA . 15679 1 930 . 1 1 93 93 VAL HB H 1 1.712 0.032 . 1 . . . . 93 VAL HB . 15679 1 931 . 1 1 93 93 VAL HG11 H 1 0.603 0.02 . 1 . . . . 93 VAL HG11 . 15679 1 932 . 1 1 93 93 VAL HG12 H 1 0.603 0.02 . 1 . . . . 93 VAL HG12 . 15679 1 933 . 1 1 93 93 VAL HG13 H 1 0.603 0.02 . 1 . . . . 93 VAL HG13 . 15679 1 934 . 1 1 93 93 VAL HG21 H 1 0.603 0.02 . 1 . . . . 93 VAL HG21 . 15679 1 935 . 1 1 93 93 VAL HG22 H 1 0.603 0.02 . 1 . . . . 93 VAL HG22 . 15679 1 936 . 1 1 93 93 VAL HG23 H 1 0.603 0.02 . 1 . . . . 93 VAL HG23 . 15679 1 937 . 1 1 93 93 VAL CA C 13 60.568 0.041 . 1 . . . . 93 VAL CA . 15679 1 938 . 1 1 93 93 VAL CB C 13 33.024 0.027 . 1 . . . . 93 VAL CB . 15679 1 939 . 1 1 93 93 VAL CG1 C 13 21.362 0.05 . 1 . . . . 93 VAL CG1 . 15679 1 940 . 1 1 93 93 VAL CG2 C 13 21.362 0.05 . 1 . . . . 93 VAL CG2 . 15679 1 941 . 1 1 93 93 VAL N N 15 124.459 0.032 . 1 . . . . 93 VAL N . 15679 1 942 . 1 1 94 94 ILE H H 1 8.395 0.016 . 1 . . . . 94 ILE H . 15679 1 943 . 1 1 94 94 ILE HA H 1 4.162 0.025 . 1 . . . . 94 ILE HA . 15679 1 944 . 1 1 94 94 ILE HB H 1 1.617 0.023 . 1 . . . . 94 ILE HB . 15679 1 945 . 1 1 94 94 ILE HD11 H 1 0.660 0.02 . 1 . . . . 94 ILE HD11 . 15679 1 946 . 1 1 94 94 ILE HD12 H 1 0.660 0.02 . 1 . . . . 94 ILE HD12 . 15679 1 947 . 1 1 94 94 ILE HD13 H 1 0.660 0.02 . 1 . . . . 94 ILE HD13 . 15679 1 948 . 1 1 94 94 ILE HG12 H 1 0.840 0.02 . 2 . . . . 94 ILE HG12 . 15679 1 949 . 1 1 94 94 ILE HG13 H 1 1.181 0.02 . 2 . . . . 94 ILE HG13 . 15679 1 950 . 1 1 94 94 ILE HG21 H 1 0.767 0.02 . 1 . . . . 94 ILE HG21 . 15679 1 951 . 1 1 94 94 ILE HG22 H 1 0.767 0.02 . 1 . . . . 94 ILE HG22 . 15679 1 952 . 1 1 94 94 ILE HG23 H 1 0.767 0.02 . 1 . . . . 94 ILE HG23 . 15679 1 953 . 1 1 94 94 ILE CA C 13 60.238 0.041 . 1 . . . . 94 ILE CA . 15679 1 954 . 1 1 94 94 ILE CB C 13 39.279 0.046 . 1 . . . . 94 ILE CB . 15679 1 955 . 1 1 94 94 ILE CD1 C 13 12.635 0.05 . 1 . . . . 94 ILE CD1 . 15679 1 956 . 1 1 94 94 ILE CG1 C 13 26.893 0.05 . 1 . . . . 94 ILE CG1 . 15679 1 957 . 1 1 94 94 ILE CG2 C 13 17.256 0.05 . 1 . . . . 94 ILE CG2 . 15679 1 958 . 1 1 94 94 ILE N N 15 126.433 0.062 . 1 . . . . 94 ILE N . 15679 1 959 . 1 1 95 95 GLU H H 1 8.707 0.012 . 1 . . . . 95 GLU H . 15679 1 960 . 1 1 95 95 GLU HA H 1 4.317 0.02 . 1 . . . . 95 GLU HA . 15679 1 961 . 1 1 95 95 GLU HB2 H 1 1.979 0.035 . 1 . . . . 95 GLU HB2 . 15679 1 962 . 1 1 95 95 GLU HB3 H 1 1.979 0.035 . 1 . . . . 95 GLU HB3 . 15679 1 963 . 1 1 95 95 GLU HG2 H 1 2.245 0.02 . 1 . . . . 95 GLU HG2 . 15679 1 964 . 1 1 95 95 GLU HG3 H 1 2.245 0.02 . 1 . . . . 95 GLU HG3 . 15679 1 965 . 1 1 95 95 GLU CA C 13 56.738 0.068 . 1 . . . . 95 GLU CA . 15679 1 966 . 1 1 95 95 GLU CB C 13 30.590 0.051 . 1 . . . . 95 GLU CB . 15679 1 967 . 1 1 95 95 GLU N N 15 126.596 0.054 . 1 . . . . 95 GLU N . 15679 1 stop_ save_