data_15673 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15673 _Entry.Title ; NMR solution structure of PisI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-25 _Entry.Accession_date 2008-02-25 _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 'solution stucture of PisI, bacteriocin immunity protein' _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 Leah Martin-Visscher . A. . 15673 2 Tara Sprules . . . 15673 3 Lucas Gursky . J. . 15673 4 John Vederas . C. . 15673 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 . 'not applicable' 'not applicable' . 15673 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bacteriocin . 15673 'immunity protein' . 15673 PisI . 15673 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15673 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 15673 '15N chemical shifts' 106 15673 '1H chemical shifts' 674 15673 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-02-25 update BMRB 'edit assembly name' 15673 1 . . 2008-06-27 2008-02-25 original author 'original release' 15673 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K19 'BMRB Entry Tracking System' 15673 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15673 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18500825 _Citation.Full_citation . _Citation.Title 'Nuclear magnetic resonance solution structure of PisI, a group B immunity protein that provides protection against the type IIa bacteriocin piscicolin 126, PisA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 24 _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 6427 _Citation.Page_last 6436 _Citation.Year 2008 _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 Leah Martin-Visscher . A. . 15673 1 2 Tara Sprules . . . 15673 1 3 Lucas Gursky . J. . 15673 1 4 John Vederas . C. . 15673 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bacteriocin 15673 1 'immunity protein' 15673 1 'solution structure' 15673 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15673 _Assembly.ID 1 _Assembly.Name PisI _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PisI 1 $PisI A . yes native yes no . . . 15673 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Piscicolin A126 immunity protein' 15673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PisI _Entity.Sf_category entity _Entity.Sf_framecode PisI _Entity.Entry_ID 15673 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PisI _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 ; MGKLKWFSGGKERSNQAENI ITDLLDDLKTDLDNESLKKV LENYLEELKQKSASVPLILS RMNLDISKAIRNDGVTLSDY QSKKLKELTSISNIRYGY ; _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 98 _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 11197.856 _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 2K19 . "Nmr Solution Structure Of Pisi" . . . . . 98.98 98 100.00 100.00 8.91e-60 . . . . 15673 1 2 no EMBL CCO10376 . "putative piscicolin 126 immunity protein [Carnobacterium maltaromaticum LMA28]" . . . . . 100.00 98 98.98 98.98 3.98e-60 . . . . 15673 1 3 no GB AAK69418 . "putative piscicolin 126 immunity protein PisI [Carnobacterium maltaromaticum]" . . . . . 100.00 98 98.98 98.98 3.98e-60 . . . . 15673 1 4 no GB AAX21353 . "putative piscicolin 126 immunity protein [Carnobacterium maltaromaticum]" . . . . . 100.00 98 100.00 100.00 8.55e-61 . . . . 15673 1 5 no GB KRN60250 . "hypothetical protein IV70_GL000969 [Carnobacterium maltaromaticum DSM 20342]" . . . . . 100.00 98 98.98 98.98 3.98e-60 . . . . 15673 1 6 no GB KRN73764 . "hypothetical protein IV76_GL001487 [Carnobacterium maltaromaticum]" . . . . . 100.00 98 100.00 100.00 8.55e-61 . . . . 15673 1 7 no GB KRN85081 . "hypothetical protein IV75_GL003234 [Carnobacterium maltaromaticum]" . . . . . 100.00 98 100.00 100.00 8.55e-61 . . . . 15673 1 8 no REF WP_010050956 . "hypothetical protein [Carnobacterium maltaromaticum]" . . . . . 100.00 98 98.98 98.98 3.98e-60 . . . . 15673 1 9 no REF WP_056999692 . "hypothetical protein [Carnobacterium maltaromaticum]" . . . . . 100.00 98 100.00 100.00 8.55e-61 . . . . 15673 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Piscicolin A126 immunity protein' 15673 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15673 1 2 . GLY . 15673 1 3 . LYS . 15673 1 4 . LEU . 15673 1 5 . LYS . 15673 1 6 . TRP . 15673 1 7 . PHE . 15673 1 8 . SER . 15673 1 9 . GLY . 15673 1 10 . GLY . 15673 1 11 . LYS . 15673 1 12 . GLU . 15673 1 13 . ARG . 15673 1 14 . SER . 15673 1 15 . ASN . 15673 1 16 . GLN . 15673 1 17 . ALA . 15673 1 18 . GLU . 15673 1 19 . ASN . 15673 1 20 . ILE . 15673 1 21 . ILE . 15673 1 22 . THR . 15673 1 23 . ASP . 15673 1 24 . LEU . 15673 1 25 . LEU . 15673 1 26 . ASP . 15673 1 27 . ASP . 15673 1 28 . LEU . 15673 1 29 . LYS . 15673 1 30 . THR . 15673 1 31 . ASP . 15673 1 32 . LEU . 15673 1 33 . ASP . 15673 1 34 . ASN . 15673 1 35 . GLU . 15673 1 36 . SER . 15673 1 37 . LEU . 15673 1 38 . LYS . 15673 1 39 . LYS . 15673 1 40 . VAL . 15673 1 41 . LEU . 15673 1 42 . GLU . 15673 1 43 . ASN . 15673 1 44 . TYR . 15673 1 45 . LEU . 15673 1 46 . GLU . 15673 1 47 . GLU . 15673 1 48 . LEU . 15673 1 49 . LYS . 15673 1 50 . GLN . 15673 1 51 . LYS . 15673 1 52 . SER . 15673 1 53 . ALA . 15673 1 54 . SER . 15673 1 55 . VAL . 15673 1 56 . PRO . 15673 1 57 . LEU . 15673 1 58 . ILE . 15673 1 59 . LEU . 15673 1 60 . SER . 15673 1 61 . ARG . 15673 1 62 . MET . 15673 1 63 . ASN . 15673 1 64 . LEU . 15673 1 65 . ASP . 15673 1 66 . ILE . 15673 1 67 . SER . 15673 1 68 . LYS . 15673 1 69 . ALA . 15673 1 70 . ILE . 15673 1 71 . ARG . 15673 1 72 . ASN . 15673 1 73 . ASP . 15673 1 74 . GLY . 15673 1 75 . VAL . 15673 1 76 . THR . 15673 1 77 . LEU . 15673 1 78 . SER . 15673 1 79 . ASP . 15673 1 80 . TYR . 15673 1 81 . GLN . 15673 1 82 . SER . 15673 1 83 . LYS . 15673 1 84 . LYS . 15673 1 85 . LEU . 15673 1 86 . LYS . 15673 1 87 . GLU . 15673 1 88 . LEU . 15673 1 89 . THR . 15673 1 90 . SER . 15673 1 91 . ILE . 15673 1 92 . SER . 15673 1 93 . ASN . 15673 1 94 . ILE . 15673 1 95 . ARG . 15673 1 96 . TYR . 15673 1 97 . GLY . 15673 1 98 . TYR . 15673 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15673 1 . GLY 2 2 15673 1 . LYS 3 3 15673 1 . LEU 4 4 15673 1 . LYS 5 5 15673 1 . TRP 6 6 15673 1 . PHE 7 7 15673 1 . SER 8 8 15673 1 . GLY 9 9 15673 1 . GLY 10 10 15673 1 . LYS 11 11 15673 1 . GLU 12 12 15673 1 . ARG 13 13 15673 1 . SER 14 14 15673 1 . ASN 15 15 15673 1 . GLN 16 16 15673 1 . ALA 17 17 15673 1 . GLU 18 18 15673 1 . ASN 19 19 15673 1 . ILE 20 20 15673 1 . ILE 21 21 15673 1 . THR 22 22 15673 1 . ASP 23 23 15673 1 . LEU 24 24 15673 1 . LEU 25 25 15673 1 . ASP 26 26 15673 1 . ASP 27 27 15673 1 . LEU 28 28 15673 1 . LYS 29 29 15673 1 . THR 30 30 15673 1 . ASP 31 31 15673 1 . LEU 32 32 15673 1 . ASP 33 33 15673 1 . ASN 34 34 15673 1 . GLU 35 35 15673 1 . SER 36 36 15673 1 . LEU 37 37 15673 1 . LYS 38 38 15673 1 . LYS 39 39 15673 1 . VAL 40 40 15673 1 . LEU 41 41 15673 1 . GLU 42 42 15673 1 . ASN 43 43 15673 1 . TYR 44 44 15673 1 . LEU 45 45 15673 1 . GLU 46 46 15673 1 . GLU 47 47 15673 1 . LEU 48 48 15673 1 . LYS 49 49 15673 1 . GLN 50 50 15673 1 . LYS 51 51 15673 1 . SER 52 52 15673 1 . ALA 53 53 15673 1 . SER 54 54 15673 1 . VAL 55 55 15673 1 . PRO 56 56 15673 1 . LEU 57 57 15673 1 . ILE 58 58 15673 1 . LEU 59 59 15673 1 . SER 60 60 15673 1 . ARG 61 61 15673 1 . MET 62 62 15673 1 . ASN 63 63 15673 1 . LEU 64 64 15673 1 . ASP 65 65 15673 1 . ILE 66 66 15673 1 . SER 67 67 15673 1 . LYS 68 68 15673 1 . ALA 69 69 15673 1 . ILE 70 70 15673 1 . ARG 71 71 15673 1 . ASN 72 72 15673 1 . ASP 73 73 15673 1 . GLY 74 74 15673 1 . VAL 75 75 15673 1 . THR 76 76 15673 1 . LEU 77 77 15673 1 . SER 78 78 15673 1 . ASP 79 79 15673 1 . TYR 80 80 15673 1 . GLN 81 81 15673 1 . SER 82 82 15673 1 . LYS 83 83 15673 1 . LYS 84 84 15673 1 . LEU 85 85 15673 1 . LYS 86 86 15673 1 . GLU 87 87 15673 1 . LEU 88 88 15673 1 . THR 89 89 15673 1 . SER 90 90 15673 1 . ILE 91 91 15673 1 . SER 92 92 15673 1 . ASN 93 93 15673 1 . ILE 94 94 15673 1 . ARG 95 95 15673 1 . TYR 96 96 15673 1 . GLY 97 97 15673 1 . TYR 98 98 15673 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 15673 _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 $PisI . 2751 organism . 'Carnobacterium maltaromaticum' 'Carnibacterium piscicola' . . Bacteria . Carnobacterium maltaromaticum UAL26 . . . . . . . . . . . . . . . . . 'Source of gene cloned into e.coli for expression' . . 15673 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 15673 _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 $PisI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pMAL . . . . . . 15673 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15673 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PisI '[U-99% 13C; U-99% 15N]' . . 1 $PisI . . 0.5 . . mM . . . . 15673 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15673 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15673 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15673 1 5 DSS 'natural abundance' . . . . . . .05 . . mM . . . . 15673 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15673 _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 PisI '[U-99% 13C; U-99% 15N]' . . 1 $PisI . . 0.5 . . mM . . . . 15673 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15673 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15673 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15673 2 5 DSS 'natural abundance' . . . . . . .05 . . mM . . . . 15673 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15673 _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 PisI '[U-99% 15N]' . . 1 $PisI . . 0.5 . . mM . . . . 15673 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15673 3 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15673 3 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15673 3 5 DSS 'natural abundance' . . . . . . .05 . . mM . . . . 15673 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 15673 _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 pH 5.9 . pH 15673 1 pressure 1 . atm 15673 1 temperature 298 . K 15673 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15673 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15673 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15673 1 'data analysis' 15673 1 'peak picking' 15673 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15673 _Software.ID 2 _Software.Name VNMRJ _Software.Version 1.1D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15673 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15673 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15673 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15673 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15673 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15673 _Software.ID 4 _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' . . 15673 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15673 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15673 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15673 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15673 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 15673 1 2 spectrometer_2 Varian INOVA . 800 . . . 15673 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 15673 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15673 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15673 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15673 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15673 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15673 1 6 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15673 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15673 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15673 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15673 1 10 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15673 1 11 '2D NNOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15673 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 15673 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15673 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15673 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15673 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 15673 _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 2 '3D CBCA(CO)NH' . . . 15673 1 3 '3D HNCACB' . . . 15673 1 4 '3D H(CCO)NH' . . . 15673 1 5 '3D HCCH-TOCSY' . . . 15673 1 8 '3D 1H-15N TOCSY' . . . 15673 1 10 '3D HCCH-COSY' . . . 15673 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.102 0.01 . 1 . . . . 1 M HA . 15673 1 2 . 1 1 1 1 MET HB2 H 1 2.145 0.01 . 2 . . . . 1 M HB2 . 15673 1 3 . 1 1 1 1 MET HE1 H 1 2.087 0.01 . 1 . . . . 1 M HE1 . 15673 1 4 . 1 1 1 1 MET HE2 H 1 2.087 0.01 . 1 . . . . 1 M HE1 . 15673 1 5 . 1 1 1 1 MET HE3 H 1 2.087 0.01 . 1 . . . . 1 M HE1 . 15673 1 6 . 1 1 1 1 MET HG2 H 1 2.624 0.01 . 2 . . . . 1 M HG2 . 15673 1 7 . 1 1 1 1 MET CA C 13 55.246 0.05 . 1 . . . . 1 M CA . 15673 1 8 . 1 1 1 1 MET CB C 13 33.170 0.05 . 1 . . . . 1 M CB . 15673 1 9 . 1 1 1 1 MET CE C 13 15.786 0.05 . 1 . . . . 1 M CE . 15673 1 10 . 1 1 1 1 MET CG C 13 30.090 0.05 . 1 . . . . 1 M CG . 15673 1 11 . 1 1 2 2 GLY HA2 H 1 4.034 0.01 . 2 . . . . 2 G HA2 . 15673 1 12 . 1 1 2 2 GLY HA3 H 1 3.955 0.01 . 2 . . . . 2 G HA3 . 15673 1 13 . 1 1 2 2 GLY CA C 13 45.110 0.05 . 1 . . . . 2 G CA . 15673 1 14 . 1 1 3 3 LYS H H 1 8.339 0.01 . 1 . . . . 3 K HN . 15673 1 15 . 1 1 3 3 LYS HA H 1 4.265 0.01 . 1 . . . . 3 K HA . 15673 1 16 . 1 1 3 3 LYS HB2 H 1 1.775 0.01 . 2 . . . . 3 K HB2 . 15673 1 17 . 1 1 3 3 LYS HB3 H 1 1.690 0.01 . 2 . . . . 3 K HB3 . 15673 1 18 . 1 1 3 3 LYS HD2 H 1 1.636 0.01 . 2 . . . . 3 K HD2 . 15673 1 19 . 1 1 3 3 LYS HE2 H 1 2.961 0.01 . 2 . . . . 3 K HE2 . 15673 1 20 . 1 1 3 3 LYS HG2 H 1 1.388 0.01 . 2 . . . . 3 K HG2 . 15673 1 21 . 1 1 3 3 LYS HG3 H 1 1.366 0.01 . 2 . . . . 3 K HG3 . 15673 1 22 . 1 1 3 3 LYS CA C 13 56.383 0.05 . 1 . . . . 3 K CA . 15673 1 23 . 1 1 3 3 LYS CB C 13 33.260 0.05 . 1 . . . . 3 K CB . 15673 1 24 . 1 1 3 3 LYS CD C 13 28.134 0.05 . 1 . . . . 3 K CD . 15673 1 25 . 1 1 3 3 LYS CE C 13 42.182 0.05 . 1 . . . . 3 K CE . 15673 1 26 . 1 1 3 3 LYS CG C 13 23.908 0.05 . 1 . . . . 3 K CG . 15673 1 27 . 1 1 3 3 LYS N N 15 121.185 0.05 . 1 . . . . 3 K N . 15673 1 28 . 1 1 4 4 LEU H H 1 8.251 0.01 . 1 . . . . 4 L HN . 15673 1 29 . 1 1 4 4 LEU HA H 1 4.274 0.01 . 1 . . . . 4 L HA . 15673 1 30 . 1 1 4 4 LEU HB2 H 1 1.574 0.01 . 2 . . . . 4 L HB2 . 15673 1 31 . 1 1 4 4 LEU HB3 H 1 1.418 0.01 . 2 . . . . 4 L HB3 . 15673 1 32 . 1 1 4 4 LEU HD11 H 1 0.882 0.01 . 2 . . . . 4 L HD11 . 15673 1 33 . 1 1 4 4 LEU HD12 H 1 0.882 0.01 . 2 . . . . 4 L HD11 . 15673 1 34 . 1 1 4 4 LEU HD13 H 1 0.882 0.01 . 2 . . . . 4 L HD11 . 15673 1 35 . 1 1 4 4 LEU HD21 H 1 0.823 0.01 . 2 . . . . 4 L HD21 . 15673 1 36 . 1 1 4 4 LEU HD22 H 1 0.823 0.01 . 2 . . . . 4 L HD21 . 15673 1 37 . 1 1 4 4 LEU HD23 H 1 0.823 0.01 . 2 . . . . 4 L HD21 . 15673 1 38 . 1 1 4 4 LEU HG H 1 1.573 0.01 . 1 . . . . 4 L HG . 15673 1 39 . 1 1 4 4 LEU CA C 13 55.219 0.05 . 1 . . . . 4 L CA . 15673 1 40 . 1 1 4 4 LEU CB C 13 42.410 0.05 . 1 . . . . 4 L CB . 15673 1 41 . 1 1 4 4 LEU CD1 C 13 24.064 0.05 . 2 . . . . 4 L CD1 . 15673 1 42 . 1 1 4 4 LEU CD2 C 13 22.715 0.05 . 2 . . . . 4 L CD2 . 15673 1 43 . 1 1 4 4 LEU CG C 13 26.237 0.05 . 1 . . . . 4 L CG . 15673 1 44 . 1 1 4 4 LEU N N 15 123.421 0.05 . 1 . . . . 4 L N . 15673 1 45 . 1 1 5 5 LYS H H 1 8.244 0.01 . 1 . . . . 5 K HN . 15673 1 46 . 1 1 5 5 LYS HA H 1 4.226 0.01 . 1 . . . . 5 K HA . 15673 1 47 . 1 1 5 5 LYS HB2 H 1 1.594 0.01 . 2 . . . . 5 K HB2 . 15673 1 48 . 1 1 5 5 LYS HD2 H 1 1.589 0.01 . 2 . . . . 5 K HD2 . 15673 1 49 . 1 1 5 5 LYS HE2 H 1 2.891 0.01 . 2 . . . . 5 K HE2 . 15673 1 50 . 1 1 5 5 LYS HG2 H 1 1.275 0.01 . 2 . . . . 5 K HG2 . 15673 1 51 . 1 1 5 5 LYS HG3 H 1 1.203 0.01 . 2 . . . . 5 K HG3 . 15673 1 52 . 1 1 5 5 LYS CA C 13 56.270 0.05 . 1 . . . . 5 K CA . 15673 1 53 . 1 1 5 5 LYS CB C 13 33.229 0.05 . 1 . . . . 5 K CB . 15673 1 54 . 1 1 5 5 LYS CD C 13 28.156 0.05 . 1 . . . . 5 K CD . 15673 1 55 . 1 1 5 5 LYS CE C 13 42.106 0.05 . 1 . . . . 5 K CE . 15673 1 56 . 1 1 5 5 LYS CG C 13 23.828 0.05 . 1 . . . . 5 K CG . 15673 1 57 . 1 1 5 5 LYS N N 15 122.352 0.05 . 1 . . . . 5 K N . 15673 1 58 . 1 1 6 6 TRP H H 1 8.038 0.01 . 1 . . . . 6 W HN . 15673 1 59 . 1 1 6 6 TRP HA H 1 4.607 0.01 . 1 . . . . 6 W HA . 15673 1 60 . 1 1 6 6 TRP HB2 H 1 3.158 0.01 . 2 . . . . 6 W HB2 . 15673 1 61 . 1 1 6 6 TRP HD1 H 1 7.113 0.01 . 1 . . . . 6 W HD1 . 15673 1 62 . 1 1 6 6 TRP HE1 H 1 10.156 0.01 . 1 . . . . 6 W HE2 . 15673 1 63 . 1 1 6 6 TRP HE3 H 1 7.530 0.01 . 1 . . . . 6 W HE3 . 15673 1 64 . 1 1 6 6 TRP HH2 H 1 7.175 0.01 . 1 . . . . 6 W HH2 . 15673 1 65 . 1 1 6 6 TRP HZ2 H 1 7.440 0.01 . 1 . . . . 6 W HZ2 . 15673 1 66 . 1 1 6 6 TRP HZ3 H 1 7.082 0.01 . 1 . . . . 6 W HZ3 . 15673 1 67 . 1 1 6 6 TRP CA C 13 57.176 0.05 . 1 . . . . 6 W CA . 15673 1 68 . 1 1 6 6 TRP CB C 13 28.968 0.05 . 1 . . . . 6 W CB . 15673 1 69 . 1 1 6 6 TRP CD1 C 13 127.222 0.05 . 1 . . . . 6 W CD1 . 15673 1 70 . 1 1 6 6 TRP CE3 C 13 120.933 0.05 . 1 . . . . 6 W CE3 . 15673 1 71 . 1 1 6 6 TRP CH2 C 13 124.613 0.05 . 1 . . . . 6 W CH2 . 15673 1 72 . 1 1 6 6 TRP CZ2 C 13 114.682 0.05 . 1 . . . . 6 W CZ2 . 15673 1 73 . 1 1 6 6 TRP CZ3 C 13 122.051 0.05 . 1 . . . . 6 W CZ3 . 15673 1 74 . 1 1 6 6 TRP N N 15 121.648 0.05 . 1 . . . . 6 W N . 15673 1 75 . 1 1 6 6 TRP NE1 N 15 129.607 0.05 . 1 . . . . 6 W NE1 . 15673 1 76 . 1 1 7 7 PHE H H 1 7.962 0.01 . 1 . . . . 7 F HN . 15673 1 77 . 1 1 7 7 PHE HA H 1 4.565 0.01 . 1 . . . . 7 F HA . 15673 1 78 . 1 1 7 7 PHE HB2 H 1 2.941 0.01 . 2 . . . . 7 F HB2 . 15673 1 79 . 1 1 7 7 PHE HB3 H 1 2.878 0.01 . 2 . . . . 7 F HB3 . 15673 1 80 . 1 1 7 7 PHE HD1 H 1 7.132 0.01 . 3 . . . . 7 F HD1 . 15673 1 81 . 1 1 7 7 PHE HE1 H 1 7.278 0.01 . 3 . . . . 7 F HE1 . 15673 1 82 . 1 1 7 7 PHE HZ H 1 7.243 0.01 . 1 . . . . 7 F HZ . 15673 1 83 . 1 1 7 7 PHE CA C 13 57.406 0.05 . 1 . . . . 7 F CA . 15673 1 84 . 1 1 7 7 PHE CB C 13 40.063 0.05 . 1 . . . . 7 F CB . 15673 1 85 . 1 1 7 7 PHE CD1 C 13 132.095 0.05 . 3 . . . . 7 F CD1 . 15673 1 86 . 1 1 7 7 PHE CE1 C 13 131.399 0.05 . 3 . . . . 7 F CE1 . 15673 1 87 . 1 1 7 7 PHE CZ C 13 129.865 0.05 . 1 . . . . 7 F CZ . 15673 1 88 . 1 1 7 7 PHE N N 15 121.771 0.05 . 1 . . . . 7 F N . 15673 1 89 . 1 1 8 8 SER H H 1 8.207 0.01 . 1 . . . . 8 S HN . 15673 1 90 . 1 1 8 8 SER HA H 1 4.296 0.01 . 1 . . . . 8 S HA . 15673 1 91 . 1 1 8 8 SER HB2 H 1 3.811 0.01 . 2 . . . . 8 S HB2 . 15673 1 92 . 1 1 8 8 SER HB3 H 1 3.758 0.01 . 2 . . . . 8 S HB3 . 15673 1 93 . 1 1 8 8 SER CA C 13 58.350 0.05 . 1 . . . . 8 S CA . 15673 1 94 . 1 1 8 8 SER CB C 13 64.877 0.05 . 1 . . . . 8 S CB . 15673 1 95 . 1 1 8 8 SER N N 15 117.889 0.05 . 1 . . . . 8 S N . 15673 1 96 . 1 1 9 9 GLY H H 1 8.041 0.01 . 1 . . . . 9 G HN . 15673 1 97 . 1 1 9 9 GLY HA2 H 1 3.938 0.01 . 2 . . . . 9 G HA2 . 15673 1 98 . 1 1 9 9 GLY CA C 13 45.437 0.05 . 1 . . . . 9 G CA . 15673 1 99 . 1 1 9 9 GLY N N 15 110.786 0.05 . 1 . . . . 9 G N . 15673 1 100 . 1 1 10 10 GLY H H 1 8.336 0.01 . 1 . . . . 10 G HN . 15673 1 101 . 1 1 10 10 GLY HA2 H 1 3.954 0.01 . 2 . . . . 10 G HA2 . 15673 1 102 . 1 1 10 10 GLY HA3 H 1 3.920 0.01 . 2 . . . . 10 G HA3 . 15673 1 103 . 1 1 10 10 GLY CA C 13 45.686 0.05 . 1 . . . . 10 G CA . 15673 1 104 . 1 1 10 10 GLY N N 15 108.825 0.05 . 1 . . . . 10 G N . 15673 1 105 . 1 1 11 11 LYS H H 1 8.260 0.01 . 1 . . . . 11 K HN . 15673 1 106 . 1 1 11 11 LYS HA H 1 4.256 0.01 . 1 . . . . 11 K HA . 15673 1 107 . 1 1 11 11 LYS HB2 H 1 1.809 0.01 . 2 . . . . 11 K HB2 . 15673 1 108 . 1 1 11 11 LYS HB3 H 1 1.741 0.01 . 2 . . . . 11 K HB3 . 15673 1 109 . 1 1 11 11 LYS HD2 H 1 1.641 0.01 . 2 . . . . 11 K HD2 . 15673 1 110 . 1 1 11 11 LYS HD3 H 1 1.584 0.01 . 2 . . . . 11 K HD3 . 15673 1 111 . 1 1 11 11 LYS HE2 H 1 2.950 0.01 . 2 . . . . 11 K HE2 . 15673 1 112 . 1 1 11 11 LYS HG2 H 1 1.400 0.01 . 2 . . . . 11 K HG2 . 15673 1 113 . 1 1 11 11 LYS CA C 13 56.993 0.05 . 1 . . . . 11 K CA . 15673 1 114 . 1 1 11 11 LYS CB C 13 33.218 0.05 . 1 . . . . 11 K CB . 15673 1 115 . 1 1 11 11 LYS CD C 13 28.134 0.05 . 1 . . . . 11 K CD . 15673 1 116 . 1 1 11 11 LYS CE C 13 42.064 0.05 . 1 . . . . 11 K CE . 15673 1 117 . 1 1 11 11 LYS CG C 13 23.857 0.05 . 1 . . . . 11 K CG . 15673 1 118 . 1 1 11 11 LYS N N 15 121.091 0.05 . 1 . . . . 11 K N . 15673 1 119 . 1 1 12 12 GLU H H 1 8.578 0.01 . 1 . . . . 12 E HN . 15673 1 120 . 1 1 12 12 GLU HA H 1 4.200 0.01 . 1 . . . . 12 E HA . 15673 1 121 . 1 1 12 12 GLU HB2 H 1 2.021 0.01 . 2 . . . . 12 E HB2 . 15673 1 122 . 1 1 12 12 GLU HB3 H 1 1.974 0.01 . 2 . . . . 12 E HB3 . 15673 1 123 . 1 1 12 12 GLU HG2 H 1 2.275 0.01 . 2 . . . . 12 E HG2 . 15673 1 124 . 1 1 12 12 GLU CA C 13 57.657 0.05 . 1 . . . . 12 E CA . 15673 1 125 . 1 1 12 12 GLU CB C 13 28.791 0.05 . 1 . . . . 12 E CB . 15673 1 126 . 1 1 12 12 GLU CG C 13 36.574 0.05 . 1 . . . . 12 E CG . 15673 1 127 . 1 1 12 12 GLU N N 15 121.069 0.05 . 1 . . . . 12 E N . 15673 1 128 . 1 1 13 13 ARG H H 1 8.295 0.01 . 1 . . . . 13 R HN . 15673 1 129 . 1 1 13 13 ARG HA H 1 4.255 0.01 . 1 . . . . 13 R HA . 15673 1 130 . 1 1 13 13 ARG HB2 H 1 1.786 0.01 . 2 . . . . 13 R HB2 . 15673 1 131 . 1 1 13 13 ARG HB3 H 1 1.789 0.01 . 2 . . . . 13 R HB3 . 15673 1 132 . 1 1 13 13 ARG HD2 H 1 3.146 0.01 . 2 . . . . 13 R HD2 . 15673 1 133 . 1 1 13 13 ARG HD3 H 1 3.101 0.01 . 2 . . . . 13 R HD3 . 15673 1 134 . 1 1 13 13 ARG HG2 H 1 1.643 0.01 . 2 . . . . 13 R HG2 . 15673 1 135 . 1 1 13 13 ARG HG3 H 1 1.572 0.01 . 2 . . . . 13 R HG3 . 15673 1 136 . 1 1 13 13 ARG CA C 13 57.190 0.05 . 1 . . . . 13 R CA . 15673 1 137 . 1 1 13 13 ARG CB C 13 29.713 0.05 . 1 . . . . 13 R CB . 15673 1 138 . 1 1 13 13 ARG CD C 13 43.418 0.05 . 1 . . . . 13 R CD . 15673 1 139 . 1 1 13 13 ARG CG C 13 26.333 0.05 . 1 . . . . 13 R CG . 15673 1 140 . 1 1 13 13 ARG N N 15 121.206 0.05 . 1 . . . . 13 R N . 15673 1 141 . 1 1 14 14 SER H H 1 8.407 0.01 . 1 . . . . 14 S HN . 15673 1 142 . 1 1 14 14 SER HA H 1 4.254 0.01 . 1 . . . . 14 S HA . 15673 1 143 . 1 1 14 14 SER HB2 H 1 3.915 0.01 . 2 . . . . 14 S HB2 . 15673 1 144 . 1 1 14 14 SER CA C 13 59.928 0.05 . 1 . . . . 14 S CA . 15673 1 145 . 1 1 14 14 SER CB C 13 64.405 0.05 . 1 . . . . 14 S CB . 15673 1 146 . 1 1 14 14 SER N N 15 115.215 0.05 . 1 . . . . 14 S N . 15673 1 147 . 1 1 15 15 ASN H H 1 8.307 0.01 . 1 . . . . 15 N HN . 15673 1 148 . 1 1 15 15 ASN HA H 1 4.617 0.01 . 1 . . . . 15 N HA . 15673 1 149 . 1 1 15 15 ASN HB2 H 1 2.829 0.01 . 2 . . . . 15 N HB2 . 15673 1 150 . 1 1 15 15 ASN HD21 H 1 7.697 0.01 . 2 . . . . 15 N HD21 . 15673 1 151 . 1 1 15 15 ASN HD22 H 1 6.794 0.01 . 2 . . . . 15 N HD22 . 15673 1 152 . 1 1 15 15 ASN CA C 13 54.589 0.05 . 1 . . . . 15 N CA . 15673 1 153 . 1 1 15 15 ASN CB C 13 38.822 0.05 . 1 . . . . 15 N CB . 15673 1 154 . 1 1 15 15 ASN N N 15 120.146 0.05 . 1 . . . . 15 N N . 15673 1 155 . 1 1 15 15 ASN ND2 N 15 112.246 0.05 . 1 . . . . 15 N ND2 . 15673 1 156 . 1 1 16 16 GLN H H 1 8.183 0.01 . 1 . . . . 16 Q HN . 15673 1 157 . 1 1 16 16 GLN HA H 1 4.150 0.01 . 1 . . . . 16 Q HA . 15673 1 158 . 1 1 16 16 GLN HB2 H 1 2.090 0.01 . 2 . . . . 16 Q HB2 . 15673 1 159 . 1 1 16 16 GLN HE21 H 1 7.453 0.01 . 2 . . . . 16 Q HE21 . 15673 1 160 . 1 1 16 16 GLN HE22 H 1 6.797 0.01 . 2 . . . . 16 Q HE22 . 15673 1 161 . 1 1 16 16 GLN HG2 H 1 2.430 0.01 . 2 . . . . 16 Q HG2 . 15673 1 162 . 1 1 16 16 GLN HG3 H 1 2.311 0.01 . 2 . . . . 16 Q HG3 . 15673 1 163 . 1 1 16 16 GLN CA C 13 58.328 0.05 . 1 . . . . 16 Q CA . 15673 1 164 . 1 1 16 16 GLN CB C 13 27.927 0.05 . 1 . . . . 16 Q CB . 15673 1 165 . 1 1 16 16 GLN CG C 13 33.673 0.05 . 1 . . . . 16 Q CG . 15673 1 166 . 1 1 16 16 GLN N N 15 119.750 0.05 . 1 . . . . 16 Q N . 15673 1 167 . 1 1 16 16 GLN NE2 N 15 111.257 0.05 . 1 . . . . 16 Q NE2 . 15673 1 168 . 1 1 17 17 ALA H H 1 8.408 0.01 . 1 . . . . 17 A HN . 15673 1 169 . 1 1 17 17 ALA HA H 1 3.851 0.01 . 1 . . . . 17 A HA . 15673 1 170 . 1 1 17 17 ALA HB1 H 1 1.358 0.01 . 1 . . . . 17 A HB1 . 15673 1 171 . 1 1 17 17 ALA HB2 H 1 1.358 0.01 . 1 . . . . 17 A HB1 . 15673 1 172 . 1 1 17 17 ALA HB3 H 1 1.358 0.01 . 1 . . . . 17 A HB1 . 15673 1 173 . 1 1 17 17 ALA CA C 13 55.714 0.05 . 1 . . . . 17 A CA . 15673 1 174 . 1 1 17 17 ALA CB C 13 17.467 0.05 . 1 . . . . 17 A CB . 15673 1 175 . 1 1 17 17 ALA N N 15 121.524 0.05 . 1 . . . . 17 A N . 15673 1 176 . 1 1 18 18 GLU H H 1 8.784 0.01 . 1 . . . . 18 E HN . 15673 1 177 . 1 1 18 18 GLU HA H 1 3.680 0.01 . 1 . . . . 18 E HA . 15673 1 178 . 1 1 18 18 GLU HB2 H 1 2.037 0.01 . 2 . . . . 18 E HB2 . 15673 1 179 . 1 1 18 18 GLU HG2 H 1 2.321 0.01 . 2 . . . . 18 E HG2 . 15673 1 180 . 1 1 18 18 GLU HG3 H 1 2.155 0.01 . 2 . . . . 18 E HG3 . 15673 1 181 . 1 1 18 18 GLU CA C 13 60.073 0.05 . 1 . . . . 18 E CA . 15673 1 182 . 1 1 18 18 GLU CB C 13 28.724 0.05 . 1 . . . . 18 E CB . 15673 1 183 . 1 1 18 18 GLU CG C 13 36.951 0.05 . 1 . . . . 18 E CG . 15673 1 184 . 1 1 18 18 GLU N N 15 116.416 0.05 . 1 . . . . 18 E N . 15673 1 185 . 1 1 19 19 ASN H H 1 7.943 0.01 . 1 . . . . 19 N HN . 15673 1 186 . 1 1 19 19 ASN HA H 1 4.409 0.01 . 1 . . . . 19 N HA . 15673 1 187 . 1 1 19 19 ASN HB2 H 1 2.882 0.01 . 2 . . . . 19 N HB2 . 15673 1 188 . 1 1 19 19 ASN HD21 H 1 7.509 0.01 . 2 . . . . 19 N HD21 . 15673 1 189 . 1 1 19 19 ASN HD22 H 1 6.856 0.01 . 2 . . . . 19 N HD22 . 15673 1 190 . 1 1 19 19 ASN CA C 13 56.095 0.05 . 1 . . . . 19 N CA . 15673 1 191 . 1 1 19 19 ASN CB C 13 38.371 0.05 . 1 . . . . 19 N CB . 15673 1 192 . 1 1 19 19 ASN N N 15 118.504 0.05 . 1 . . . . 19 N N . 15673 1 193 . 1 1 19 19 ASN ND2 N 15 111.871 0.05 . 1 . . . . 19 N ND2 . 15673 1 194 . 1 1 20 20 ILE H H 1 7.928 0.01 . 1 . . . . 20 I HN . 15673 1 195 . 1 1 20 20 ILE HA H 1 3.877 0.01 . 1 . . . . 20 I HA . 15673 1 196 . 1 1 20 20 ILE HB H 1 1.775 0.01 . 1 . . . . 20 I HB . 15673 1 197 . 1 1 20 20 ILE HD11 H 1 0.775 0.01 . 1 . . . . 20 I HD11 . 15673 1 198 . 1 1 20 20 ILE HD12 H 1 0.775 0.01 . 1 . . . . 20 I HD11 . 15673 1 199 . 1 1 20 20 ILE HD13 H 1 0.775 0.01 . 1 . . . . 20 I HD11 . 15673 1 200 . 1 1 20 20 ILE HG12 H 1 1.839 0.01 . 2 . . . . 20 I HG11 . 15673 1 201 . 1 1 20 20 ILE HG13 H 1 0.994 0.01 . 2 . . . . 20 I HG12 . 15673 1 202 . 1 1 20 20 ILE HG21 H 1 0.899 0.01 . 1 . . . . 20 I HG21 . 15673 1 203 . 1 1 20 20 ILE HG22 H 1 0.899 0.01 . 1 . . . . 20 I HG21 . 15673 1 204 . 1 1 20 20 ILE HG23 H 1 0.899 0.01 . 1 . . . . 20 I HG21 . 15673 1 205 . 1 1 20 20 ILE CA C 13 66.290 0.05 . 1 . . . . 20 I CA . 15673 1 206 . 1 1 20 20 ILE CB C 13 38.551 0.05 . 1 . . . . 20 I CB . 15673 1 207 . 1 1 20 20 ILE CD1 C 13 13.638 0.05 . 1 . . . . 20 I CD1 . 15673 1 208 . 1 1 20 20 ILE CG1 C 13 28.019 0.05 . 1 . . . . 20 I CG1 . 15673 1 209 . 1 1 20 20 ILE CG2 C 13 18.661 0.05 . 1 . . . . 20 I CG2 . 15673 1 210 . 1 1 20 20 ILE N N 15 120.595 0.05 . 1 . . . . 20 I N . 15673 1 211 . 1 1 21 21 ILE H H 1 8.416 0.01 . 1 . . . . 21 I HN . 15673 1 212 . 1 1 21 21 ILE HA H 1 3.472 0.01 . 1 . . . . 21 I HA . 15673 1 213 . 1 1 21 21 ILE HB H 1 1.858 0.01 . 1 . . . . 21 I HB . 15673 1 214 . 1 1 21 21 ILE HD11 H 1 0.756 0.01 . 1 . . . . 21 I HD11 . 15673 1 215 . 1 1 21 21 ILE HD12 H 1 0.756 0.01 . 1 . . . . 21 I HD11 . 15673 1 216 . 1 1 21 21 ILE HD13 H 1 0.756 0.01 . 1 . . . . 21 I HD11 . 15673 1 217 . 1 1 21 21 ILE HG12 H 1 1.941 0.01 . 2 . . . . 21 I HG11 . 15673 1 218 . 1 1 21 21 ILE HG13 H 1 0.765 0.01 . 2 . . . . 21 I HG12 . 15673 1 219 . 1 1 21 21 ILE HG21 H 1 0.977 0.01 . 1 . . . . 21 I HG21 . 15673 1 220 . 1 1 21 21 ILE HG22 H 1 0.977 0.01 . 1 . . . . 21 I HG21 . 15673 1 221 . 1 1 21 21 ILE HG23 H 1 0.977 0.01 . 1 . . . . 21 I HG21 . 15673 1 222 . 1 1 21 21 ILE CA C 13 68.021 0.05 . 1 . . . . 21 I CA . 15673 1 223 . 1 1 21 21 ILE CB C 13 37.972 0.05 . 1 . . . . 21 I CB . 15673 1 224 . 1 1 21 21 ILE CD1 C 13 12.951 0.05 . 1 . . . . 21 I CD1 . 15673 1 225 . 1 1 21 21 ILE CG1 C 13 29.869 0.05 . 1 . . . . 21 I CG1 . 15673 1 226 . 1 1 21 21 ILE CG2 C 13 18.779 0.05 . 1 . . . . 21 I CG2 . 15673 1 227 . 1 1 21 21 ILE N N 15 118.727 0.05 . 1 . . . . 21 I N . 15673 1 228 . 1 1 22 22 THR H H 1 8.311 0.01 . 1 . . . . 22 T HN . 15673 1 229 . 1 1 22 22 THR HA H 1 3.812 0.01 . 1 . . . . 22 T HA . 15673 1 230 . 1 1 22 22 THR HB H 1 4.350 0.01 . 1 . . . . 22 T HB . 15673 1 231 . 1 1 22 22 THR HG21 H 1 1.281 0.01 . 1 . . . . 22 T HG21 . 15673 1 232 . 1 1 22 22 THR HG22 H 1 1.281 0.01 . 1 . . . . 22 T HG21 . 15673 1 233 . 1 1 22 22 THR HG23 H 1 1.281 0.01 . 1 . . . . 22 T HG21 . 15673 1 234 . 1 1 22 22 THR CA C 13 68.805 0.05 . 1 . . . . 22 T CA . 15673 1 235 . 1 1 22 22 THR CB C 13 69.516 0.05 . 1 . . . . 22 T CB . 15673 1 236 . 1 1 22 22 THR CG2 C 13 20.846 0.05 . 1 . . . . 22 T CG2 . 15673 1 237 . 1 1 22 22 THR N N 15 114.723 0.05 . 1 . . . . 22 T N . 15673 1 238 . 1 1 23 23 ASP H H 1 7.973 0.01 . 1 . . . . 23 D HN . 15673 1 239 . 1 1 23 23 ASP HA H 1 4.458 0.01 . 1 . . . . 23 D HA . 15673 1 240 . 1 1 23 23 ASP HB2 H 1 2.948 0.01 . 2 . . . . 23 D HB2 . 15673 1 241 . 1 1 23 23 ASP HB3 H 1 2.834 0.01 . 2 . . . . 23 D HB3 . 15673 1 242 . 1 1 23 23 ASP CA C 13 57.781 0.05 . 1 . . . . 23 D CA . 15673 1 243 . 1 1 23 23 ASP CB C 13 40.229 0.05 . 1 . . . . 23 D CB . 15673 1 244 . 1 1 23 23 ASP N N 15 122.869 0.05 . 1 . . . . 23 D N . 15673 1 245 . 1 1 24 24 LEU H H 1 8.420 0.01 . 1 . . . . 24 L HN . 15673 1 246 . 1 1 24 24 LEU HA H 1 4.081 0.01 . 1 . . . . 24 L HA . 15673 1 247 . 1 1 24 24 LEU HB2 H 1 1.986 0.01 . 2 . . . . 24 L HB2 . 15673 1 248 . 1 1 24 24 LEU HB3 H 1 1.452 0.01 . 2 . . . . 24 L HB3 . 15673 1 249 . 1 1 24 24 LEU HD11 H 1 0.874 0.01 . 2 . . . . 24 L HD11 . 15673 1 250 . 1 1 24 24 LEU HD12 H 1 0.874 0.01 . 2 . . . . 24 L HD11 . 15673 1 251 . 1 1 24 24 LEU HD13 H 1 0.874 0.01 . 2 . . . . 24 L HD11 . 15673 1 252 . 1 1 24 24 LEU HD21 H 1 0.800 0.01 . 2 . . . . 24 L HD21 . 15673 1 253 . 1 1 24 24 LEU HD22 H 1 0.800 0.01 . 2 . . . . 24 L HD21 . 15673 1 254 . 1 1 24 24 LEU HD23 H 1 0.800 0.01 . 2 . . . . 24 L HD21 . 15673 1 255 . 1 1 24 24 LEU HG H 1 1.597 0.01 . 1 . . . . 24 L HG . 15673 1 256 . 1 1 24 24 LEU CA C 13 58.575 0.05 . 1 . . . . 24 L CA . 15673 1 257 . 1 1 24 24 LEU CB C 13 43.035 0.05 . 1 . . . . 24 L CB . 15673 1 258 . 1 1 24 24 LEU CD1 C 13 24.120 0.05 . 2 . . . . 24 L CD1 . 15673 1 259 . 1 1 24 24 LEU CD2 C 13 24.715 0.05 . 2 . . . . 24 L CD2 . 15673 1 260 . 1 1 24 24 LEU CG C 13 26.820 0.05 . 1 . . . . 24 L CG . 15673 1 261 . 1 1 24 24 LEU N N 15 121.639 0.05 . 1 . . . . 24 L N . 15673 1 262 . 1 1 25 25 LEU H H 1 8.934 0.01 . 1 . . . . 25 L HN . 15673 1 263 . 1 1 25 25 LEU HA H 1 3.975 0.01 . 1 . . . . 25 L HA . 15673 1 264 . 1 1 25 25 LEU HB2 H 1 1.965 0.01 . 2 . . . . 25 L HB2 . 15673 1 265 . 1 1 25 25 LEU HB3 H 1 1.519 0.01 . 2 . . . . 25 L HB3 . 15673 1 266 . 1 1 25 25 LEU HD11 H 1 0.840 0.01 . 2 . . . . 25 L HD11 . 15673 1 267 . 1 1 25 25 LEU HD12 H 1 0.840 0.01 . 2 . . . . 25 L HD11 . 15673 1 268 . 1 1 25 25 LEU HD13 H 1 0.840 0.01 . 2 . . . . 25 L HD11 . 15673 1 269 . 1 1 25 25 LEU HD21 H 1 1.006 0.01 . 2 . . . . 25 L HD21 . 15673 1 270 . 1 1 25 25 LEU HD22 H 1 1.006 0.01 . 2 . . . . 25 L HD21 . 15673 1 271 . 1 1 25 25 LEU HD23 H 1 1.006 0.01 . 2 . . . . 25 L HD21 . 15673 1 272 . 1 1 25 25 LEU HG H 1 1.752 0.01 . 1 . . . . 25 L HG . 15673 1 273 . 1 1 25 25 LEU CA C 13 58.392 0.05 . 1 . . . . 25 L CA . 15673 1 274 . 1 1 25 25 LEU CB C 13 41.919 0.05 . 1 . . . . 25 L CB . 15673 1 275 . 1 1 25 25 LEU CD1 C 13 25.175 0.05 . 2 . . . . 25 L CD1 . 15673 1 276 . 1 1 25 25 LEU CD2 C 13 23.826 0.05 . 2 . . . . 25 L CD2 . 15673 1 277 . 1 1 25 25 LEU CG C 13 26.558 0.05 . 1 . . . . 25 L CG . 15673 1 278 . 1 1 25 25 LEU N N 15 119.555 0.05 . 1 . . . . 25 L N . 15673 1 279 . 1 1 26 26 ASP H H 1 8.287 0.01 . 1 . . . . 26 D HN . 15673 1 280 . 1 1 26 26 ASP HA H 1 4.454 0.01 . 1 . . . . 26 D HA . 15673 1 281 . 1 1 26 26 ASP HB2 H 1 2.874 0.01 . 2 . . . . 26 D HB2 . 15673 1 282 . 1 1 26 26 ASP HB3 H 1 2.732 0.01 . 2 . . . . 26 D HB3 . 15673 1 283 . 1 1 26 26 ASP CA C 13 57.452 0.05 . 1 . . . . 26 D CA . 15673 1 284 . 1 1 26 26 ASP CB C 13 40.954 0.05 . 1 . . . . 26 D CB . 15673 1 285 . 1 1 26 26 ASP N N 15 119.156 0.05 . 1 . . . . 26 D N . 15673 1 286 . 1 1 27 27 ASP H H 1 7.725 0.01 . 1 . . . . 27 D HN . 15673 1 287 . 1 1 27 27 ASP HA H 1 4.522 0.01 . 1 . . . . 27 D HA . 15673 1 288 . 1 1 27 27 ASP HB2 H 1 2.830 0.01 . 2 . . . . 27 D HB2 . 15673 1 289 . 1 1 27 27 ASP CA C 13 57.528 0.05 . 1 . . . . 27 D CA . 15673 1 290 . 1 1 27 27 ASP CB C 13 44.119 0.05 . 1 . . . . 27 D CB . 15673 1 291 . 1 1 27 27 ASP N N 15 119.794 0.05 . 1 . . . . 27 D N . 15673 1 292 . 1 1 28 28 LEU H H 1 8.250 0.01 . 1 . . . . 28 L HN . 15673 1 293 . 1 1 28 28 LEU HA H 1 4.288 0.01 . 1 . . . . 28 L HA . 15673 1 294 . 1 1 28 28 LEU HB2 H 1 1.879 0.01 . 2 . . . . 28 L HB2 . 15673 1 295 . 1 1 28 28 LEU HB3 H 1 1.587 0.01 . 2 . . . . 28 L HB3 . 15673 1 296 . 1 1 28 28 LEU HD11 H 1 0.732 0.01 . 2 . . . . 28 L HD11 . 15673 1 297 . 1 1 28 28 LEU HD12 H 1 0.732 0.01 . 2 . . . . 28 L HD11 . 15673 1 298 . 1 1 28 28 LEU HD13 H 1 0.732 0.01 . 2 . . . . 28 L HD11 . 15673 1 299 . 1 1 28 28 LEU HD21 H 1 0.888 0.01 . 2 . . . . 28 L HD21 . 15673 1 300 . 1 1 28 28 LEU HD22 H 1 0.888 0.01 . 2 . . . . 28 L HD21 . 15673 1 301 . 1 1 28 28 LEU HD23 H 1 0.888 0.01 . 2 . . . . 28 L HD21 . 15673 1 302 . 1 1 28 28 LEU HG H 1 1.913 0.01 . 1 . . . . 28 L HG . 15673 1 303 . 1 1 28 28 LEU CA C 13 56.036 0.05 . 1 . . . . 28 L CA . 15673 1 304 . 1 1 28 28 LEU CB C 13 42.916 0.05 . 1 . . . . 28 L CB . 15673 1 305 . 1 1 28 28 LEU CD1 C 13 25.683 0.05 . 2 . . . . 28 L CD1 . 15673 1 306 . 1 1 28 28 LEU CD2 C 13 23.110 0.05 . 2 . . . . 28 L CD2 . 15673 1 307 . 1 1 28 28 LEU CG C 13 26.145 0.05 . 1 . . . . 28 L CG . 15673 1 308 . 1 1 28 28 LEU N N 15 117.483 0.05 . 1 . . . . 28 L N . 15673 1 309 . 1 1 29 29 LYS H H 1 7.742 0.01 . 1 . . . . 29 K HN . 15673 1 310 . 1 1 29 29 LYS HA H 1 4.120 0.01 . 1 . . . . 29 K HA . 15673 1 311 . 1 1 29 29 LYS HB2 H 1 2.015 0.01 . 2 . . . . 29 K HB2 . 15673 1 312 . 1 1 29 29 LYS HB3 H 1 1.964 0.01 . 2 . . . . 29 K HB3 . 15673 1 313 . 1 1 29 29 LYS HD2 H 1 1.739 0.01 . 2 . . . . 29 K HD2 . 15673 1 314 . 1 1 29 29 LYS HE2 H 1 3.012 0.01 . 2 . . . . 29 K HE2 . 15673 1 315 . 1 1 29 29 LYS HG2 H 1 1.586 0.01 . 2 . . . . 29 K HG2 . 15673 1 316 . 1 1 29 29 LYS CA C 13 59.343 0.05 . 1 . . . . 29 K CA . 15673 1 317 . 1 1 29 29 LYS CB C 13 32.713 0.05 . 1 . . . . 29 K CB . 15673 1 318 . 1 1 29 29 LYS CD C 13 28.448 0.05 . 1 . . . . 29 K CD . 15673 1 319 . 1 1 29 29 LYS CE C 13 42.099 0.05 . 1 . . . . 29 K CE . 15673 1 320 . 1 1 29 29 LYS CG C 13 24.069 0.05 . 1 . . . . 29 K CG . 15673 1 321 . 1 1 29 29 LYS N N 15 119.580 0.05 . 1 . . . . 29 K N . 15673 1 322 . 1 1 30 30 THR H H 1 7.857 0.01 . 1 . . . . 30 T HN . 15673 1 323 . 1 1 30 30 THR HA H 1 4.310 0.01 . 1 . . . . 30 T HA . 15673 1 324 . 1 1 30 30 THR HB H 1 4.456 0.01 . 1 . . . . 30 T HB . 15673 1 325 . 1 1 30 30 THR HG21 H 1 1.229 0.01 . 1 . . . . 30 T HG21 . 15673 1 326 . 1 1 30 30 THR HG22 H 1 1.229 0.01 . 1 . . . . 30 T HG21 . 15673 1 327 . 1 1 30 30 THR HG23 H 1 1.229 0.01 . 1 . . . . 30 T HG21 . 15673 1 328 . 1 1 30 30 THR CA C 13 63.162 0.05 . 1 . . . . 30 T CA . 15673 1 329 . 1 1 30 30 THR CB C 13 70.097 0.05 . 1 . . . . 30 T CB . 15673 1 330 . 1 1 30 30 THR CG2 C 13 20.860 0.05 . 1 . . . . 30 T CG2 . 15673 1 331 . 1 1 30 30 THR N N 15 109.613 0.05 . 1 . . . . 30 T N . 15673 1 332 . 1 1 31 31 ASP H H 1 7.741 0.01 . 1 . . . . 31 D HN . 15673 1 333 . 1 1 31 31 ASP HA H 1 4.726 0.01 . 1 . . . . 31 D HA . 15673 1 334 . 1 1 31 31 ASP HB2 H 1 2.903 0.01 . 2 . . . . 31 D HB2 . 15673 1 335 . 1 1 31 31 ASP HB3 H 1 2.694 0.01 . 2 . . . . 31 D HB3 . 15673 1 336 . 1 1 31 31 ASP CA C 13 53.834 0.05 . 1 . . . . 31 D CA . 15673 1 337 . 1 1 31 31 ASP CB C 13 42.451 0.05 . 1 . . . . 31 D CB . 15673 1 338 . 1 1 31 31 ASP N N 15 122.622 0.05 . 1 . . . . 31 D N . 15673 1 339 . 1 1 32 32 LEU H H 1 8.442 0.01 . 1 . . . . 32 L HN . 15673 1 340 . 1 1 32 32 LEU HA H 1 4.348 0.01 . 1 . . . . 32 L HA . 15673 1 341 . 1 1 32 32 LEU HB2 H 1 1.687 0.01 . 2 . . . . 32 L HB2 . 15673 1 342 . 1 1 32 32 LEU HB3 H 1 1.653 0.01 . 2 . . . . 32 L HB3 . 15673 1 343 . 1 1 32 32 LEU HD11 H 1 0.928 0.01 . 2 . . . . 32 L HD11 . 15673 1 344 . 1 1 32 32 LEU HD12 H 1 0.928 0.01 . 2 . . . . 32 L HD11 . 15673 1 345 . 1 1 32 32 LEU HD13 H 1 0.928 0.01 . 2 . . . . 32 L HD11 . 15673 1 346 . 1 1 32 32 LEU HD21 H 1 0.861 0.01 . 2 . . . . 32 L HD21 . 15673 1 347 . 1 1 32 32 LEU HD22 H 1 0.861 0.01 . 2 . . . . 32 L HD21 . 15673 1 348 . 1 1 32 32 LEU HD23 H 1 0.861 0.01 . 2 . . . . 32 L HD21 . 15673 1 349 . 1 1 32 32 LEU HG H 1 1.698 0.01 . 1 . . . . 32 L HG . 15673 1 350 . 1 1 32 32 LEU CA C 13 55.833 0.05 . 1 . . . . 32 L CA . 15673 1 351 . 1 1 32 32 LEU CB C 13 42.357 0.05 . 1 . . . . 32 L CB . 15673 1 352 . 1 1 32 32 LEU CD1 C 13 24.259 0.05 . 2 . . . . 32 L CD1 . 15673 1 353 . 1 1 32 32 LEU CD2 C 13 22.300 0.05 . 2 . . . . 32 L CD2 . 15673 1 354 . 1 1 32 32 LEU CG C 13 26.255 0.05 . 1 . . . . 32 L CG . 15673 1 355 . 1 1 32 32 LEU N N 15 122.594 0.05 . 1 . . . . 32 L N . 15673 1 356 . 1 1 33 33 ASP H H 1 8.353 0.01 . 1 . . . . 33 D HN . 15673 1 357 . 1 1 33 33 ASP HA H 1 4.697 0.01 . 1 . . . . 33 D HA . 15673 1 358 . 1 1 33 33 ASP HB2 H 1 2.805 0.01 . 2 . . . . 33 D HB2 . 15673 1 359 . 1 1 33 33 ASP HB3 H 1 2.688 0.01 . 2 . . . . 33 D HB3 . 15673 1 360 . 1 1 33 33 ASP CA C 13 55.341 0.05 . 1 . . . . 33 D CA . 15673 1 361 . 1 1 33 33 ASP CB C 13 41.486 0.05 . 1 . . . . 33 D CB . 15673 1 362 . 1 1 33 33 ASP N N 15 119.095 0.05 . 1 . . . . 33 D N . 15673 1 363 . 1 1 34 34 ASN H H 1 8.264 0.01 . 1 . . . . 34 N HN . 15673 1 364 . 1 1 34 34 ASN HA H 1 4.958 0.01 . 1 . . . . 34 N HA . 15673 1 365 . 1 1 34 34 ASN HB2 H 1 2.881 0.01 . 2 . . . . 34 N HB2 . 15673 1 366 . 1 1 34 34 ASN HB3 H 1 2.661 0.01 . 2 . . . . 34 N HB3 . 15673 1 367 . 1 1 34 34 ASN HD21 H 1 8.025 0.01 . 2 . . . . 34 N HD21 . 15673 1 368 . 1 1 34 34 ASN HD22 H 1 6.952 0.01 . 2 . . . . 34 N HD22 . 15673 1 369 . 1 1 34 34 ASN CA C 13 53.424 0.05 . 1 . . . . 34 N CA . 15673 1 370 . 1 1 34 34 ASN CB C 13 38.979 0.05 . 1 . . . . 34 N CB . 15673 1 371 . 1 1 34 34 ASN N N 15 116.961 0.05 . 1 . . . . 34 N N . 15673 1 372 . 1 1 34 34 ASN ND2 N 15 114.040 0.05 . 1 . . . . 34 N ND2 . 15673 1 373 . 1 1 35 35 GLU H H 1 8.097 0.01 . 1 . . . . 35 E HN . 15673 1 374 . 1 1 35 35 GLU HA H 1 3.976 0.01 . 1 . . . . 35 E HA . 15673 1 375 . 1 1 35 35 GLU HB2 H 1 2.049 0.01 . 2 . . . . 35 E HB2 . 15673 1 376 . 1 1 35 35 GLU HB3 H 1 2.154 0.01 . 2 . . . . 35 E HB3 . 15673 1 377 . 1 1 35 35 GLU HG2 H 1 2.329 0.01 . 2 . . . . 35 E HG2 . 15673 1 378 . 1 1 35 35 GLU HG3 H 1 2.133 0.01 . 2 . . . . 35 E HG3 . 15673 1 379 . 1 1 35 35 GLU CA C 13 60.329 0.05 . 1 . . . . 35 E CA . 15673 1 380 . 1 1 35 35 GLU CB C 13 28.984 0.05 . 1 . . . . 35 E CB . 15673 1 381 . 1 1 35 35 GLU CG C 13 36.243 0.05 . 1 . . . . 35 E CG . 15673 1 382 . 1 1 35 35 GLU N N 15 119.945 0.05 . 1 . . . . 35 E N . 15673 1 383 . 1 1 36 36 SER H H 1 9.395 0.01 . 1 . . . . 36 S HN . 15673 1 384 . 1 1 36 36 SER HA H 1 3.882 0.01 . 1 . . . . 36 S HA . 15673 1 385 . 1 1 36 36 SER HB2 H 1 4.223 0.01 . 2 . . . . 36 S HB2 . 15673 1 386 . 1 1 36 36 SER HB3 H 1 3.992 0.01 . 2 . . . . 36 S HB3 . 15673 1 387 . 1 1 36 36 SER CA C 13 63.240 0.05 . 1 . . . . 36 S CA . 15673 1 388 . 1 1 36 36 SER CB C 13 63.046 0.05 . 1 . . . . 36 S CB . 15673 1 389 . 1 1 36 36 SER N N 15 115.938 0.05 . 1 . . . . 36 S N . 15673 1 390 . 1 1 37 37 LEU H H 1 8.134 0.01 . 1 . . . . 37 L HN . 15673 1 391 . 1 1 37 37 LEU HA H 1 3.960 0.01 . 1 . . . . 37 L HA . 15673 1 392 . 1 1 37 37 LEU HB2 H 1 1.838 0.01 . 2 . . . . 37 L HB2 . 15673 1 393 . 1 1 37 37 LEU HB3 H 1 1.453 0.01 . 2 . . . . 37 L HB3 . 15673 1 394 . 1 1 37 37 LEU HD11 H 1 0.878 0.01 . 2 . . . . 37 L HD11 . 15673 1 395 . 1 1 37 37 LEU HD12 H 1 0.878 0.01 . 2 . . . . 37 L HD11 . 15673 1 396 . 1 1 37 37 LEU HD13 H 1 0.878 0.01 . 2 . . . . 37 L HD11 . 15673 1 397 . 1 1 37 37 LEU HD21 H 1 0.904 0.01 . 2 . . . . 37 L HD21 . 15673 1 398 . 1 1 37 37 LEU HD22 H 1 0.904 0.01 . 2 . . . . 37 L HD21 . 15673 1 399 . 1 1 37 37 LEU HD23 H 1 0.904 0.01 . 2 . . . . 37 L HD21 . 15673 1 400 . 1 1 37 37 LEU HG H 1 1.494 0.01 . 1 . . . . 37 L HG . 15673 1 401 . 1 1 37 37 LEU CA C 13 57.615 0.05 . 1 . . . . 37 L CA . 15673 1 402 . 1 1 37 37 LEU CB C 13 41.892 0.05 . 1 . . . . 37 L CB . 15673 1 403 . 1 1 37 37 LEU CD1 C 13 25.391 0.05 . 2 . . . . 37 L CD1 . 15673 1 404 . 1 1 37 37 LEU CD2 C 13 22.548 0.05 . 2 . . . . 37 L CD2 . 15673 1 405 . 1 1 37 37 LEU CG C 13 26.642 0.05 . 1 . . . . 37 L CG . 15673 1 406 . 1 1 37 37 LEU N N 15 123.155 0.05 . 1 . . . . 37 L N . 15673 1 407 . 1 1 38 38 LYS H H 1 8.181 0.01 . 1 . . . . 38 K HN . 15673 1 408 . 1 1 38 38 LYS HA H 1 3.656 0.01 . 1 . . . . 38 K HA . 15673 1 409 . 1 1 38 38 LYS HB2 H 1 1.958 0.01 . 2 . . . . 38 K HB2 . 15673 1 410 . 1 1 38 38 LYS HB3 H 1 1.819 0.01 . 2 . . . . 38 K HB3 . 15673 1 411 . 1 1 38 38 LYS HD2 H 1 1.673 0.01 . 2 . . . . 38 K HD2 . 15673 1 412 . 1 1 38 38 LYS HE2 H 1 2.935 0.01 . 2 . . . . 38 K HE2 . 15673 1 413 . 1 1 38 38 LYS HG2 H 1 1.491 0.01 . 2 . . . . 38 K HG2 . 15673 1 414 . 1 1 38 38 LYS HG3 H 1 1.299 0.01 . 2 . . . . 38 K HG3 . 15673 1 415 . 1 1 38 38 LYS CA C 13 60.943 0.05 . 1 . . . . 38 K CA . 15673 1 416 . 1 1 38 38 LYS CB C 13 32.517 0.05 . 1 . . . . 38 K CB . 15673 1 417 . 1 1 38 38 LYS CD C 13 28.557 0.05 . 1 . . . . 38 K CD . 15673 1 418 . 1 1 38 38 LYS CE C 13 42.205 0.05 . 1 . . . . 38 K CE . 15673 1 419 . 1 1 38 38 LYS CG C 13 25.149 0.05 . 1 . . . . 38 K CG . 15673 1 420 . 1 1 38 38 LYS N N 15 118.503 0.05 . 1 . . . . 38 K N . 15673 1 421 . 1 1 39 39 LYS H H 1 7.829 0.01 . 1 . . . . 39 K HN . 15673 1 422 . 1 1 39 39 LYS HA H 1 4.076 0.01 . 1 . . . . 39 K HA . 15673 1 423 . 1 1 39 39 LYS HB2 H 1 1.922 0.01 . 2 . . . . 39 K HB2 . 15673 1 424 . 1 1 39 39 LYS HD2 H 1 1.701 0.01 . 2 . . . . 39 K HD2 . 15673 1 425 . 1 1 39 39 LYS HE2 H 1 2.974 0.01 . 2 . . . . 39 K HE2 . 15673 1 426 . 1 1 39 39 LYS HG2 H 1 1.607 0.01 . 2 . . . . 39 K HG2 . 15673 1 427 . 1 1 39 39 LYS HG3 H 1 1.507 0.01 . 2 . . . . 39 K HG3 . 15673 1 428 . 1 1 39 39 LYS CA C 13 59.163 0.05 . 1 . . . . 39 K CA . 15673 1 429 . 1 1 39 39 LYS CB C 13 32.069 0.05 . 1 . . . . 39 K CB . 15673 1 430 . 1 1 39 39 LYS CD C 13 27.689 0.05 . 1 . . . . 39 K CD . 15673 1 431 . 1 1 39 39 LYS CE C 13 42.054 0.05 . 1 . . . . 39 K CE . 15673 1 432 . 1 1 39 39 LYS CG C 13 24.066 0.05 . 1 . . . . 39 K CG . 15673 1 433 . 1 1 39 39 LYS N N 15 116.786 0.05 . 1 . . . . 39 K N . 15673 1 434 . 1 1 40 40 VAL H H 1 7.606 0.01 . 1 . . . . 40 V HN . 15673 1 435 . 1 1 40 40 VAL HA H 1 3.878 0.01 . 1 . . . . 40 V HA . 15673 1 436 . 1 1 40 40 VAL HB H 1 2.286 0.01 . 1 . . . . 40 V HB . 15673 1 437 . 1 1 40 40 VAL HG11 H 1 1.170 0.01 . 2 . . . . 40 V HG11 . 15673 1 438 . 1 1 40 40 VAL HG12 H 1 1.170 0.01 . 2 . . . . 40 V HG11 . 15673 1 439 . 1 1 40 40 VAL HG13 H 1 1.170 0.01 . 2 . . . . 40 V HG11 . 15673 1 440 . 1 1 40 40 VAL HG21 H 1 1.048 0.01 . 2 . . . . 40 V HG21 . 15673 1 441 . 1 1 40 40 VAL HG22 H 1 1.048 0.01 . 2 . . . . 40 V HG21 . 15673 1 442 . 1 1 40 40 VAL HG23 H 1 1.048 0.01 . 2 . . . . 40 V HG21 . 15673 1 443 . 1 1 40 40 VAL CA C 13 67.685 0.05 . 1 . . . . 40 V CA . 15673 1 444 . 1 1 40 40 VAL CB C 13 32.407 0.05 . 1 . . . . 40 V CB . 15673 1 445 . 1 1 40 40 VAL CG1 C 13 22.649 0.05 . 2 . . . . 40 V CG1 . 15673 1 446 . 1 1 40 40 VAL CG2 C 13 21.731 0.05 . 2 . . . . 40 V CG2 . 15673 1 447 . 1 1 40 40 VAL N N 15 119.335 0.05 . 1 . . . . 40 V N . 15673 1 448 . 1 1 41 41 LEU H H 1 8.255 0.01 . 1 . . . . 41 L HN . 15673 1 449 . 1 1 41 41 LEU HA H 1 4.015 0.01 . 1 . . . . 41 L HA . 15673 1 450 . 1 1 41 41 LEU HB2 H 1 2.115 0.01 . 2 . . . . 41 L HB2 . 15673 1 451 . 1 1 41 41 LEU HB3 H 1 1.366 0.01 . 2 . . . . 41 L HB3 . 15673 1 452 . 1 1 41 41 LEU HD11 H 1 0.767 0.01 . 2 . . . . 41 L HD11 . 15673 1 453 . 1 1 41 41 LEU HD12 H 1 0.767 0.01 . 2 . . . . 41 L HD11 . 15673 1 454 . 1 1 41 41 LEU HD13 H 1 0.767 0.01 . 2 . . . . 41 L HD11 . 15673 1 455 . 1 1 41 41 LEU HD21 H 1 0.773 0.01 . 2 . . . . 41 L HD21 . 15673 1 456 . 1 1 41 41 LEU HD22 H 1 0.773 0.01 . 2 . . . . 41 L HD21 . 15673 1 457 . 1 1 41 41 LEU HD23 H 1 0.773 0.01 . 2 . . . . 41 L HD21 . 15673 1 458 . 1 1 41 41 LEU HG H 1 1.938 0.01 . 1 . . . . 41 L HG . 15673 1 459 . 1 1 41 41 LEU CA C 13 58.684 0.05 . 1 . . . . 41 L CA . 15673 1 460 . 1 1 41 41 LEU CB C 13 41.088 0.05 . 1 . . . . 41 L CB . 15673 1 461 . 1 1 41 41 LEU CD1 C 13 21.604 0.05 . 2 . . . . 41 L CD1 . 15673 1 462 . 1 1 41 41 LEU CD2 C 13 26.399 0.05 . 2 . . . . 41 L CD2 . 15673 1 463 . 1 1 41 41 LEU CG C 13 26.135 0.05 . 1 . . . . 41 L CG . 15673 1 464 . 1 1 41 41 LEU N N 15 118.749 0.05 . 1 . . . . 41 L N . 15673 1 465 . 1 1 42 42 GLU H H 1 8.644 0.01 . 1 . . . . 42 E HN . 15673 1 466 . 1 1 42 42 GLU HA H 1 3.848 0.01 . 1 . . . . 42 E HA . 15673 1 467 . 1 1 42 42 GLU HB2 H 1 2.204 0.01 . 2 . . . . 42 E HB2 . 15673 1 468 . 1 1 42 42 GLU HB3 H 1 1.993 0.01 . 2 . . . . 42 E HB3 . 15673 1 469 . 1 1 42 42 GLU HG2 H 1 2.588 0.01 . 2 . . . . 42 E HG2 . 15673 1 470 . 1 1 42 42 GLU HG3 H 1 2.240 0.01 . 2 . . . . 42 E HG3 . 15673 1 471 . 1 1 42 42 GLU CA C 13 59.971 0.05 . 1 . . . . 42 E CA . 15673 1 472 . 1 1 42 42 GLU CB C 13 28.895 0.05 . 1 . . . . 42 E CB . 15673 1 473 . 1 1 42 42 GLU CG C 13 37.219 0.05 . 1 . . . . 42 E CG . 15673 1 474 . 1 1 42 42 GLU N N 15 117.706 0.05 . 1 . . . . 42 E N . 15673 1 475 . 1 1 43 43 ASN H H 1 8.184 0.01 . 1 . . . . 43 N HN . 15673 1 476 . 1 1 43 43 ASN HA H 1 4.369 0.01 . 1 . . . . 43 N HA . 15673 1 477 . 1 1 43 43 ASN HB2 H 1 2.898 0.01 . 2 . . . . 43 N HB2 . 15673 1 478 . 1 1 43 43 ASN HB3 H 1 2.733 0.01 . 2 . . . . 43 N HB3 . 15673 1 479 . 1 1 43 43 ASN HD21 H 1 6.804 0.01 . 2 . . . . 43 N HD21 . 15673 1 480 . 1 1 43 43 ASN HD22 H 1 6.629 0.01 . 2 . . . . 43 N HD22 . 15673 1 481 . 1 1 43 43 ASN CA C 13 56.414 0.05 . 1 . . . . 43 N CA . 15673 1 482 . 1 1 43 43 ASN CB C 13 38.403 0.05 . 1 . . . . 43 N CB . 15673 1 483 . 1 1 43 43 ASN N N 15 118.367 0.05 . 1 . . . . 43 N N . 15673 1 484 . 1 1 43 43 ASN ND2 N 15 110.980 0.05 . 1 . . . . 43 N ND2 . 15673 1 485 . 1 1 44 44 TYR H H 1 8.355 0.01 . 1 . . . . 44 Y HN . 15673 1 486 . 1 1 44 44 TYR HA H 1 4.044 0.01 . 1 . . . . 44 Y HA . 15673 1 487 . 1 1 44 44 TYR HB2 H 1 2.873 0.01 . 2 . . . . 44 Y HB2 . 15673 1 488 . 1 1 44 44 TYR HB3 H 1 2.807 0.01 . 2 . . . . 44 Y HB3 . 15673 1 489 . 1 1 44 44 TYR HD1 H 1 7.347 0.01 . 3 . . . . 44 Y HD1 . 15673 1 490 . 1 1 44 44 TYR HE1 H 1 6.924 0.01 . 3 . . . . 44 Y HE1 . 15673 1 491 . 1 1 44 44 TYR CA C 13 65.156 0.05 . 1 . . . . 44 Y CA . 15673 1 492 . 1 1 44 44 TYR CB C 13 37.977 0.05 . 1 . . . . 44 Y CB . 15673 1 493 . 1 1 44 44 TYR CD1 C 13 133.141 0.05 . 3 . . . . 44 Y CD1 . 15673 1 494 . 1 1 44 44 TYR CE1 C 13 118.243 0.05 . 3 . . . . 44 Y CE1 . 15673 1 495 . 1 1 44 44 TYR N N 15 118.155 0.05 . 1 . . . . 44 Y N . 15673 1 496 . 1 1 45 45 LEU H H 1 8.598 0.01 . 1 . . . . 45 L HN . 15673 1 497 . 1 1 45 45 LEU HA H 1 4.076 0.01 . 1 . . . . 45 L HA . 15673 1 498 . 1 1 45 45 LEU HB2 H 1 1.990 0.01 . 2 . . . . 45 L HB2 . 15673 1 499 . 1 1 45 45 LEU HB3 H 1 1.739 0.01 . 2 . . . . 45 L HB3 . 15673 1 500 . 1 1 45 45 LEU HD11 H 1 0.898 0.01 . 2 . . . . 45 L HD11 . 15673 1 501 . 1 1 45 45 LEU HD12 H 1 0.898 0.01 . 2 . . . . 45 L HD11 . 15673 1 502 . 1 1 45 45 LEU HD13 H 1 0.898 0.01 . 2 . . . . 45 L HD11 . 15673 1 503 . 1 1 45 45 LEU HD21 H 1 0.831 0.01 . 2 . . . . 45 L HD21 . 15673 1 504 . 1 1 45 45 LEU HD22 H 1 0.831 0.01 . 2 . . . . 45 L HD21 . 15673 1 505 . 1 1 45 45 LEU HD23 H 1 0.831 0.01 . 2 . . . . 45 L HD21 . 15673 1 506 . 1 1 45 45 LEU HG H 1 1.591 0.01 . 1 . . . . 45 L HG . 15673 1 507 . 1 1 45 45 LEU CA C 13 58.678 0.05 . 1 . . . . 45 L CA . 15673 1 508 . 1 1 45 45 LEU CB C 13 41.487 0.05 . 1 . . . . 45 L CB . 15673 1 509 . 1 1 45 45 LEU CD1 C 13 24.908 0.05 . 2 . . . . 45 L CD1 . 15673 1 510 . 1 1 45 45 LEU CD2 C 13 24.715 0.05 . 2 . . . . 45 L CD2 . 15673 1 511 . 1 1 45 45 LEU N N 15 121.931 0.05 . 1 . . . . 45 L N . 15673 1 512 . 1 1 46 46 GLU H H 1 7.294 0.01 . 1 . . . . 46 E HN . 15673 1 513 . 1 1 46 46 GLU HA H 1 4.039 0.01 . 1 . . . . 46 E HA . 15673 1 514 . 1 1 46 46 GLU HB2 H 1 2.096 0.01 . 2 . . . . 46 E HB2 . 15673 1 515 . 1 1 46 46 GLU HG2 H 1 2.312 0.01 . 2 . . . . 46 E HG2 . 15673 1 516 . 1 1 46 46 GLU CA C 13 58.995 0.05 . 1 . . . . 46 E CA . 15673 1 517 . 1 1 46 46 GLU CB C 13 27.998 0.05 . 1 . . . . 46 E CB . 15673 1 518 . 1 1 46 46 GLU CG C 13 35.643 0.05 . 1 . . . . 46 E CG . 15673 1 519 . 1 1 46 46 GLU N N 15 115.907 0.05 . 1 . . . . 46 E N . 15673 1 520 . 1 1 47 47 GLU H H 1 7.736 0.01 . 1 . . . . 47 E HN . 15673 1 521 . 1 1 47 47 GLU HA H 1 3.995 0.01 . 1 . . . . 47 E HA . 15673 1 522 . 1 1 47 47 GLU HB2 H 1 2.074 0.01 . 2 . . . . 47 E HB2 . 15673 1 523 . 1 1 47 47 GLU HB3 H 1 2.156 0.01 . 2 . . . . 47 E HB3 . 15673 1 524 . 1 1 47 47 GLU HG2 H 1 2.286 0.01 . 2 . . . . 47 E HG2 . 15673 1 525 . 1 1 47 47 GLU HG3 H 1 2.081 0.01 . 2 . . . . 47 E HG3 . 15673 1 526 . 1 1 47 47 GLU CA C 13 60.628 0.05 . 1 . . . . 47 E CA . 15673 1 527 . 1 1 47 47 GLU CB C 13 28.900 0.05 . 1 . . . . 47 E CB . 15673 1 528 . 1 1 47 47 GLU CG C 13 36.478 0.05 . 1 . . . . 47 E CG . 15673 1 529 . 1 1 47 47 GLU N N 15 119.112 0.05 . 1 . . . . 47 E N . 15673 1 530 . 1 1 48 48 LEU H H 1 8.373 0.01 . 1 . . . . 48 L HN . 15673 1 531 . 1 1 48 48 LEU HA H 1 4.021 0.01 . 1 . . . . 48 L HA . 15673 1 532 . 1 1 48 48 LEU HB2 H 1 2.065 0.01 . 2 . . . . 48 L HB2 . 15673 1 533 . 1 1 48 48 LEU HB3 H 1 1.550 0.01 . 2 . . . . 48 L HB3 . 15673 1 534 . 1 1 48 48 LEU HD11 H 1 0.943 0.01 . 2 . . . . 48 L HD11 . 15673 1 535 . 1 1 48 48 LEU HD12 H 1 0.943 0.01 . 2 . . . . 48 L HD11 . 15673 1 536 . 1 1 48 48 LEU HD13 H 1 0.943 0.01 . 2 . . . . 48 L HD11 . 15673 1 537 . 1 1 48 48 LEU HD21 H 1 0.811 0.01 . 2 . . . . 48 L HD21 . 15673 1 538 . 1 1 48 48 LEU HD22 H 1 0.811 0.01 . 2 . . . . 48 L HD21 . 15673 1 539 . 1 1 48 48 LEU HD23 H 1 0.811 0.01 . 2 . . . . 48 L HD21 . 15673 1 540 . 1 1 48 48 LEU HG H 1 1.957 0.01 . 1 . . . . 48 L HG . 15673 1 541 . 1 1 48 48 LEU CA C 13 57.677 0.05 . 1 . . . . 48 L CA . 15673 1 542 . 1 1 48 48 LEU CB C 13 42.050 0.05 . 1 . . . . 48 L CB . 15673 1 543 . 1 1 48 48 LEU CD1 C 13 23.068 0.05 . 2 . . . . 48 L CD1 . 15673 1 544 . 1 1 48 48 LEU CD2 C 13 25.515 0.05 . 2 . . . . 48 L CD2 . 15673 1 545 . 1 1 48 48 LEU CG C 13 26.783 0.05 . 1 . . . . 48 L CG . 15673 1 546 . 1 1 48 48 LEU N N 15 118.527 0.05 . 1 . . . . 48 L N . 15673 1 547 . 1 1 49 49 LYS H H 1 7.811 0.01 . 1 . . . . 49 K HN . 15673 1 548 . 1 1 49 49 LYS HA H 1 4.073 0.01 . 1 . . . . 49 K HA . 15673 1 549 . 1 1 49 49 LYS HB2 H 1 1.889 0.01 . 2 . . . . 49 K HB2 . 15673 1 550 . 1 1 49 49 LYS HB3 H 1 1.887 0.01 . 2 . . . . 49 K HB3 . 15673 1 551 . 1 1 49 49 LYS HD2 H 1 1.613 0.01 . 2 . . . . 49 K HD2 . 15673 1 552 . 1 1 49 49 LYS HE2 H 1 2.841 0.01 . 2 . . . . 49 K HE2 . 15673 1 553 . 1 1 49 49 LYS HG2 H 1 1.653 0.01 . 2 . . . . 49 K HG2 . 15673 1 554 . 1 1 49 49 LYS HG3 H 1 1.412 0.01 . 2 . . . . 49 K HG3 . 15673 1 555 . 1 1 49 49 LYS CA C 13 58.622 0.05 . 1 . . . . 49 K CA . 15673 1 556 . 1 1 49 49 LYS CB C 13 32.977 0.05 . 1 . . . . 49 K CB . 15673 1 557 . 1 1 49 49 LYS CD C 13 28.600 0.05 . 1 . . . . 49 K CD . 15673 1 558 . 1 1 49 49 LYS CE C 13 41.975 0.05 . 1 . . . . 49 K CE . 15673 1 559 . 1 1 49 49 LYS CG C 13 24.562 0.05 . 1 . . . . 49 K CG . 15673 1 560 . 1 1 49 49 LYS N N 15 117.969 0.05 . 1 . . . . 49 K N . 15673 1 561 . 1 1 50 50 GLN H H 1 7.686 0.01 . 1 . . . . 50 Q HN . 15673 1 562 . 1 1 50 50 GLN HA H 1 4.179 0.01 . 1 . . . . 50 Q HA . 15673 1 563 . 1 1 50 50 GLN HB2 H 1 2.195 0.01 . 2 . . . . 50 Q HB2 . 15673 1 564 . 1 1 50 50 GLN HB3 H 1 2.076 0.01 . 2 . . . . 50 Q HB3 . 15673 1 565 . 1 1 50 50 GLN HE21 H 1 7.603 0.01 . 2 . . . . 50 Q HE21 . 15673 1 566 . 1 1 50 50 GLN HE22 H 1 6.832 0.01 . 2 . . . . 50 Q HE22 . 15673 1 567 . 1 1 50 50 GLN HG2 H 1 2.544 0.01 . 2 . . . . 50 Q HG2 . 15673 1 568 . 1 1 50 50 GLN CA C 13 56.336 0.05 . 1 . . . . 50 Q CA . 15673 1 569 . 1 1 50 50 GLN CB C 13 27.990 0.05 . 1 . . . . 50 Q CB . 15673 1 570 . 1 1 50 50 GLN CG C 13 33.827 0.05 . 1 . . . . 50 Q CG . 15673 1 571 . 1 1 50 50 GLN N N 15 117.079 0.05 . 1 . . . . 50 Q N . 15673 1 572 . 1 1 50 50 GLN NE2 N 15 112.800 0.05 . 1 . . . . 50 Q NE2 . 15673 1 573 . 1 1 51 51 LYS H H 1 8.188 0.01 . 1 . . . . 51 K HN . 15673 1 574 . 1 1 51 51 LYS HA H 1 4.111 0.01 . 1 . . . . 51 K HA . 15673 1 575 . 1 1 51 51 LYS HB2 H 1 1.904 0.01 . 2 . . . . 51 K HB2 . 15673 1 576 . 1 1 51 51 LYS HB3 H 1 1.876 0.01 . 2 . . . . 51 K HB3 . 15673 1 577 . 1 1 51 51 LYS HD2 H 1 1.718 0.01 . 2 . . . . 51 K HD2 . 15673 1 578 . 1 1 51 51 LYS HE2 H 1 3.009 0.01 . 2 . . . . 51 K HE2 . 15673 1 579 . 1 1 51 51 LYS HG2 H 1 1.468 0.01 . 2 . . . . 51 K HG2 . 15673 1 580 . 1 1 51 51 LYS HG3 H 1 1.432 0.01 . 2 . . . . 51 K HG3 . 15673 1 581 . 1 1 51 51 LYS CA C 13 57.549 0.05 . 1 . . . . 51 K CA . 15673 1 582 . 1 1 51 51 LYS CB C 13 29.912 0.05 . 1 . . . . 51 K CB . 15673 1 583 . 1 1 51 51 LYS CD C 13 28.110 0.05 . 1 . . . . 51 K CD . 15673 1 584 . 1 1 51 51 LYS CE C 13 42.269 0.05 . 1 . . . . 51 K CE . 15673 1 585 . 1 1 51 51 LYS CG C 13 23.967 0.05 . 1 . . . . 51 K CG . 15673 1 586 . 1 1 51 51 LYS N N 15 118.917 0.05 . 1 . . . . 51 K N . 15673 1 587 . 1 1 52 52 SER H H 1 8.410 0.01 . 1 . . . . 52 S HN . 15673 1 588 . 1 1 52 52 SER HA H 1 4.338 0.01 . 1 . . . . 52 S HA . 15673 1 589 . 1 1 52 52 SER HB2 H 1 3.931 0.01 . 2 . . . . 52 S HB2 . 15673 1 590 . 1 1 52 52 SER HB3 H 1 3.864 0.01 . 2 . . . . 52 S HB3 . 15673 1 591 . 1 1 52 52 SER CA C 13 58.978 0.05 . 1 . . . . 52 S CA . 15673 1 592 . 1 1 52 52 SER CB C 13 64.454 0.05 . 1 . . . . 52 S CB . 15673 1 593 . 1 1 52 52 SER N N 15 113.642 0.05 . 1 . . . . 52 S N . 15673 1 594 . 1 1 53 53 ALA H H 1 7.721 0.01 . 1 . . . . 53 A HN . 15673 1 595 . 1 1 53 53 ALA HA H 1 4.346 0.01 . 1 . . . . 53 A HA . 15673 1 596 . 1 1 53 53 ALA HB1 H 1 1.416 0.01 . 1 . . . . 53 A HB1 . 15673 1 597 . 1 1 53 53 ALA HB2 H 1 1.416 0.01 . 1 . . . . 53 A HB1 . 15673 1 598 . 1 1 53 53 ALA HB3 H 1 1.416 0.01 . 1 . . . . 53 A HB1 . 15673 1 599 . 1 1 53 53 ALA CA C 13 51.781 0.05 . 1 . . . . 53 A CA . 15673 1 600 . 1 1 53 53 ALA CB C 13 19.777 0.05 . 1 . . . . 53 A CB . 15673 1 601 . 1 1 53 53 ALA N N 15 122.870 0.05 . 1 . . . . 53 A N . 15673 1 602 . 1 1 54 54 SER H H 1 8.371 0.01 . 1 . . . . 54 S HN . 15673 1 603 . 1 1 54 54 SER HA H 1 4.559 0.01 . 1 . . . . 54 S HA . 15673 1 604 . 1 1 54 54 SER HB2 H 1 3.973 0.01 . 2 . . . . 54 S HB2 . 15673 1 605 . 1 1 54 54 SER CA C 13 57.157 0.05 . 1 . . . . 54 S CA . 15673 1 606 . 1 1 54 54 SER CB C 13 64.046 0.05 . 1 . . . . 54 S CB . 15673 1 607 . 1 1 54 54 SER N N 15 115.104 0.05 . 1 . . . . 54 S N . 15673 1 608 . 1 1 55 55 VAL H H 1 8.670 0.01 . 1 . . . . 55 V HN . 15673 1 609 . 1 1 55 55 VAL HA H 1 3.654 0.01 . 1 . . . . 55 V HA . 15673 1 610 . 1 1 55 55 VAL HB H 1 2.167 0.01 . 1 . . . . 55 V HB . 15673 1 611 . 1 1 55 55 VAL HG11 H 1 1.128 0.01 . 2 . . . . 55 V HG11 . 15673 1 612 . 1 1 55 55 VAL HG12 H 1 1.128 0.01 . 2 . . . . 55 V HG11 . 15673 1 613 . 1 1 55 55 VAL HG13 H 1 1.128 0.01 . 2 . . . . 55 V HG11 . 15673 1 614 . 1 1 55 55 VAL HG21 H 1 0.857 0.01 . 2 . . . . 55 V HG21 . 15673 1 615 . 1 1 55 55 VAL HG22 H 1 0.857 0.01 . 2 . . . . 55 V HG21 . 15673 1 616 . 1 1 55 55 VAL HG23 H 1 0.857 0.01 . 2 . . . . 55 V HG21 . 15673 1 617 . 1 1 55 55 VAL CA C 13 69.833 0.05 . 1 . . . . 55 V CA . 15673 1 618 . 1 1 55 55 VAL CB C 13 28.878 0.05 . 1 . . . . 55 V CB . 15673 1 619 . 1 1 55 55 VAL CG1 C 13 22.784 0.05 . 2 . . . . 55 V CG1 . 15673 1 620 . 1 1 55 55 VAL CG2 C 13 20.532 0.05 . 2 . . . . 55 V CG2 . 15673 1 621 . 1 1 55 55 VAL N N 15 125.233 0.05 . 1 . . . . 55 V N . 15673 1 622 . 1 1 56 56 PRO HA H 1 4.114 0.01 . 1 . . . . 56 P HA . 15673 1 623 . 1 1 56 56 PRO HB2 H 1 2.247 0.01 . 2 . . . . 56 P HB2 . 15673 1 624 . 1 1 56 56 PRO HB3 H 1 1.727 0.01 . 2 . . . . 56 P HB3 . 15673 1 625 . 1 1 56 56 PRO HD2 H 1 3.809 0.01 . 2 . . . . 56 P HD2 . 15673 1 626 . 1 1 56 56 PRO HD3 H 1 3.535 0.01 . 2 . . . . 56 P HD3 . 15673 1 627 . 1 1 56 56 PRO HG2 H 1 2.008 0.01 . 2 . . . . 56 P HG2 . 15673 1 628 . 1 1 56 56 PRO HG3 H 1 1.793 0.01 . 2 . . . . 56 P HG3 . 15673 1 629 . 1 1 56 56 PRO CA C 13 67.449 0.05 . 1 . . . . 56 P CA . 15673 1 630 . 1 1 56 56 PRO CB C 13 30.198 0.05 . 1 . . . . 56 P CB . 15673 1 631 . 1 1 56 56 PRO CD C 13 49.656 0.05 . 1 . . . . 56 P CD . 15673 1 632 . 1 1 56 56 PRO CG C 13 27.672 0.05 . 1 . . . . 56 P CG . 15673 1 633 . 1 1 57 57 LEU H H 1 7.082 0.01 . 1 . . . . 57 L HN . 15673 1 634 . 1 1 57 57 LEU HA H 1 4.174 0.01 . 1 . . . . 57 L HA . 15673 1 635 . 1 1 57 57 LEU HB2 H 1 1.769 0.01 . 2 . . . . 57 L HB2 . 15673 1 636 . 1 1 57 57 LEU HD11 H 1 0.962 0.01 . 2 . . . . 57 L HD11 . 15673 1 637 . 1 1 57 57 LEU HD12 H 1 0.962 0.01 . 2 . . . . 57 L HD11 . 15673 1 638 . 1 1 57 57 LEU HD13 H 1 0.962 0.01 . 2 . . . . 57 L HD11 . 15673 1 639 . 1 1 57 57 LEU HD21 H 1 0.922 0.01 . 2 . . . . 57 L HD21 . 15673 1 640 . 1 1 57 57 LEU HD22 H 1 0.922 0.01 . 2 . . . . 57 L HD21 . 15673 1 641 . 1 1 57 57 LEU HD23 H 1 0.922 0.01 . 2 . . . . 57 L HD21 . 15673 1 642 . 1 1 57 57 LEU HG H 1 1.612 0.01 . 1 . . . . 57 L HG . 15673 1 643 . 1 1 57 57 LEU CA C 13 57.662 0.05 . 1 . . . . 57 L CA . 15673 1 644 . 1 1 57 57 LEU CB C 13 41.676 0.05 . 1 . . . . 57 L CB . 15673 1 645 . 1 1 57 57 LEU CD1 C 13 23.291 0.05 . 2 . . . . 57 L CD1 . 15673 1 646 . 1 1 57 57 LEU CD2 C 13 23.291 0.05 . 2 . . . . 57 L CD2 . 15673 1 647 . 1 1 57 57 LEU CG C 13 26.481 0.05 . 1 . . . . 57 L CG . 15673 1 648 . 1 1 57 57 LEU N N 15 117.881 0.05 . 1 . . . . 57 L N . 15673 1 649 . 1 1 58 58 ILE H H 1 8.059 0.01 . 1 . . . . 58 I HN . 15673 1 650 . 1 1 58 58 ILE HA H 1 3.693 0.01 . 1 . . . . 58 I HA . 15673 1 651 . 1 1 58 58 ILE HB H 1 1.951 0.01 . 1 . . . . 58 I HB . 15673 1 652 . 1 1 58 58 ILE HD11 H 1 0.828 0.01 . 1 . . . . 58 I HD11 . 15673 1 653 . 1 1 58 58 ILE HD12 H 1 0.828 0.01 . 1 . . . . 58 I HD11 . 15673 1 654 . 1 1 58 58 ILE HD13 H 1 0.828 0.01 . 1 . . . . 58 I HD11 . 15673 1 655 . 1 1 58 58 ILE HG12 H 1 1.794 0.01 . 2 . . . . 58 I HG11 . 15673 1 656 . 1 1 58 58 ILE HG13 H 1 1.128 0.01 . 2 . . . . 58 I HG12 . 15673 1 657 . 1 1 58 58 ILE HG21 H 1 1.036 0.01 . 1 . . . . 58 I HG21 . 15673 1 658 . 1 1 58 58 ILE HG22 H 1 1.036 0.01 . 1 . . . . 58 I HG21 . 15673 1 659 . 1 1 58 58 ILE HG23 H 1 1.036 0.01 . 1 . . . . 58 I HG21 . 15673 1 660 . 1 1 58 58 ILE CA C 13 66.842 0.05 . 1 . . . . 58 I CA . 15673 1 661 . 1 1 58 58 ILE CB C 13 38.573 0.05 . 1 . . . . 58 I CB . 15673 1 662 . 1 1 58 58 ILE CD1 C 13 13.917 0.05 . 1 . . . . 58 I CD1 . 15673 1 663 . 1 1 58 58 ILE CG1 C 13 27.735 0.05 . 1 . . . . 58 I CG1 . 15673 1 664 . 1 1 58 58 ILE CG2 C 13 17.354 0.05 . 1 . . . . 58 I CG2 . 15673 1 665 . 1 1 58 58 ILE N N 15 120.926 0.05 . 1 . . . . 58 I N . 15673 1 666 . 1 1 59 59 LEU H H 1 8.561 0.01 . 1 . . . . 59 L HN . 15673 1 667 . 1 1 59 59 LEU HA H 1 3.897 0.01 . 1 . . . . 59 L HA . 15673 1 668 . 1 1 59 59 LEU HB2 H 1 1.780 0.01 . 2 . . . . 59 L HB2 . 15673 1 669 . 1 1 59 59 LEU HB3 H 1 1.475 0.01 . 2 . . . . 59 L HB3 . 15673 1 670 . 1 1 59 59 LEU HD11 H 1 0.736 0.01 . 2 . . . . 59 L HD11 . 15673 1 671 . 1 1 59 59 LEU HD12 H 1 0.736 0.01 . 2 . . . . 59 L HD11 . 15673 1 672 . 1 1 59 59 LEU HD13 H 1 0.736 0.01 . 2 . . . . 59 L HD11 . 15673 1 673 . 1 1 59 59 LEU HD21 H 1 0.737 0.01 . 2 . . . . 59 L HD21 . 15673 1 674 . 1 1 59 59 LEU HD22 H 1 0.737 0.01 . 2 . . . . 59 L HD21 . 15673 1 675 . 1 1 59 59 LEU HD23 H 1 0.737 0.01 . 2 . . . . 59 L HD21 . 15673 1 676 . 1 1 59 59 LEU HG H 1 1.884 0.01 . 1 . . . . 59 L HG . 15673 1 677 . 1 1 59 59 LEU CA C 13 57.858 0.05 . 1 . . . . 59 L CA . 15673 1 678 . 1 1 59 59 LEU CB C 13 40.719 0.05 . 1 . . . . 59 L CB . 15673 1 679 . 1 1 59 59 LEU CD1 C 13 21.197 0.05 . 2 . . . . 59 L CD1 . 15673 1 680 . 1 1 59 59 LEU CD2 C 13 25.643 0.05 . 2 . . . . 59 L CD2 . 15673 1 681 . 1 1 59 59 LEU CG C 13 25.688 0.05 . 1 . . . . 59 L CG . 15673 1 682 . 1 1 59 59 LEU N N 15 116.538 0.05 . 1 . . . . 59 L N . 15673 1 683 . 1 1 60 60 SER H H 1 7.808 0.01 . 1 . . . . 60 S HN . 15673 1 684 . 1 1 60 60 SER HA H 1 4.210 0.01 . 1 . . . . 60 S HA . 15673 1 685 . 1 1 60 60 SER HB2 H 1 4.002 0.01 . 2 . . . . 60 S HB2 . 15673 1 686 . 1 1 60 60 SER CA C 13 62.866 0.05 . 1 . . . . 60 S CA . 15673 1 687 . 1 1 60 60 SER CB C 13 63.818 0.05 . 1 . . . . 60 S CB . 15673 1 688 . 1 1 60 60 SER N N 15 113.992 0.05 . 1 . . . . 60 S N . 15673 1 689 . 1 1 61 61 ARG H H 1 7.663 0.01 . 1 . . . . 61 R HN . 15673 1 690 . 1 1 61 61 ARG HA H 1 3.999 0.01 . 1 . . . . 61 R HA . 15673 1 691 . 1 1 61 61 ARG HB2 H 1 2.338 0.01 . 2 . . . . 61 R HB2 . 15673 1 692 . 1 1 61 61 ARG HB3 H 1 1.973 0.01 . 2 . . . . 61 R HB3 . 15673 1 693 . 1 1 61 61 ARG HD2 H 1 3.285 0.01 . 2 . . . . 61 R HD2 . 15673 1 694 . 1 1 61 61 ARG HD3 H 1 3.234 0.01 . 2 . . . . 61 R HD3 . 15673 1 695 . 1 1 61 61 ARG HE H 1 7.260 0.01 . 1 . . . . 61 R HE . 15673 1 696 . 1 1 61 61 ARG HG2 H 1 1.875 0.01 . 2 . . . . 61 R HG2 . 15673 1 697 . 1 1 61 61 ARG HG3 H 1 1.755 0.01 . 2 . . . . 61 R HG3 . 15673 1 698 . 1 1 61 61 ARG CA C 13 59.485 0.05 . 1 . . . . 61 R CA . 15673 1 699 . 1 1 61 61 ARG CB C 13 29.456 0.05 . 1 . . . . 61 R CB . 15673 1 700 . 1 1 61 61 ARG CD C 13 44.110 0.05 . 1 . . . . 61 R CD . 15673 1 701 . 1 1 61 61 ARG CG C 13 27.533 0.05 . 1 . . . . 61 R CG . 15673 1 702 . 1 1 61 61 ARG N N 15 123.133 0.05 . 1 . . . . 61 R N . 15673 1 703 . 1 1 62 62 MET H H 1 8.436 0.01 . 1 . . . . 62 M HN . 15673 1 704 . 1 1 62 62 MET HA H 1 2.882 0.01 . 1 . . . . 62 M HA . 15673 1 705 . 1 1 62 62 MET HB2 H 1 1.157 0.01 . 2 . . . . 62 M HB2 . 15673 1 706 . 1 1 62 62 MET HB3 H 1 1.936 0.01 . 2 . . . . 62 M HB3 . 15673 1 707 . 1 1 62 62 MET HE1 H 1 1.802 0.01 . 1 . . . . 62 M HE1 . 15673 1 708 . 1 1 62 62 MET HE2 H 1 1.802 0.01 . 1 . . . . 62 M HE1 . 15673 1 709 . 1 1 62 62 MET HE3 H 1 1.802 0.01 . 1 . . . . 62 M HE1 . 15673 1 710 . 1 1 62 62 MET HG2 H 1 1.810 0.01 . 2 . . . . 62 M HG2 . 15673 1 711 . 1 1 62 62 MET HG3 H 1 1.510 0.01 . 2 . . . . 62 M HG3 . 15673 1 712 . 1 1 62 62 MET CA C 13 59.208 0.05 . 1 . . . . 62 M CA . 15673 1 713 . 1 1 62 62 MET CB C 13 33.146 0.05 . 1 . . . . 62 M CB . 15673 1 714 . 1 1 62 62 MET CE C 13 17.110 0.05 . 1 . . . . 62 M CE . 15673 1 715 . 1 1 62 62 MET CG C 13 30.080 0.05 . 1 . . . . 62 M CG . 15673 1 716 . 1 1 62 62 MET N N 15 121.073 0.05 . 1 . . . . 62 M N . 15673 1 717 . 1 1 63 63 ASN H H 1 8.141 0.01 . 1 . . . . 63 N HN . 15673 1 718 . 1 1 63 63 ASN HA H 1 4.153 0.01 . 1 . . . . 63 N HA . 15673 1 719 . 1 1 63 63 ASN HB2 H 1 2.821 0.01 . 2 . . . . 63 N HB2 . 15673 1 720 . 1 1 63 63 ASN HB3 H 1 2.739 0.01 . 2 . . . . 63 N HB3 . 15673 1 721 . 1 1 63 63 ASN HD21 H 1 7.322 0.01 . 2 . . . . 63 N HD21 . 15673 1 722 . 1 1 63 63 ASN HD22 H 1 6.694 0.01 . 2 . . . . 63 N HD22 . 15673 1 723 . 1 1 63 63 ASN CA C 13 56.742 0.05 . 1 . . . . 63 N CA . 15673 1 724 . 1 1 63 63 ASN CB C 13 38.137 0.05 . 1 . . . . 63 N CB . 15673 1 725 . 1 1 63 63 ASN N N 15 117.061 0.05 . 1 . . . . 63 N N . 15673 1 726 . 1 1 63 63 ASN ND2 N 15 109.689 0.05 . 1 . . . . 63 N ND2 . 15673 1 727 . 1 1 64 64 LEU H H 1 7.277 0.01 . 1 . . . . 64 L HN . 15673 1 728 . 1 1 64 64 LEU HA H 1 4.145 0.01 . 1 . . . . 64 L HA . 15673 1 729 . 1 1 64 64 LEU HB2 H 1 1.855 0.01 . 2 . . . . 64 L HB2 . 15673 1 730 . 1 1 64 64 LEU HB3 H 1 1.696 0.01 . 2 . . . . 64 L HB3 . 15673 1 731 . 1 1 64 64 LEU HD11 H 1 0.941 0.01 . 2 . . . . 64 L HD11 . 15673 1 732 . 1 1 64 64 LEU HD12 H 1 0.941 0.01 . 2 . . . . 64 L HD11 . 15673 1 733 . 1 1 64 64 LEU HD13 H 1 0.941 0.01 . 2 . . . . 64 L HD11 . 15673 1 734 . 1 1 64 64 LEU HD21 H 1 0.911 0.01 . 2 . . . . 64 L HD21 . 15673 1 735 . 1 1 64 64 LEU HD22 H 1 0.911 0.01 . 2 . . . . 64 L HD21 . 15673 1 736 . 1 1 64 64 LEU HD23 H 1 0.911 0.01 . 2 . . . . 64 L HD21 . 15673 1 737 . 1 1 64 64 LEU HG H 1 1.737 0.01 . 1 . . . . 64 L HG . 15673 1 738 . 1 1 64 64 LEU CA C 13 58.000 0.05 . 1 . . . . 64 L CA . 15673 1 739 . 1 1 64 64 LEU CB C 13 41.647 0.05 . 1 . . . . 64 L CB . 15673 1 740 . 1 1 64 64 LEU CD1 C 13 23.826 0.05 . 2 . . . . 64 L CD1 . 15673 1 741 . 1 1 64 64 LEU CD2 C 13 22.804 0.05 . 2 . . . . 64 L CD2 . 15673 1 742 . 1 1 64 64 LEU CG C 13 26.166 0.05 . 1 . . . . 64 L CG . 15673 1 743 . 1 1 64 64 LEU N N 15 120.341 0.05 . 1 . . . . 64 L N . 15673 1 744 . 1 1 65 65 ASP H H 1 7.937 0.01 . 1 . . . . 65 D HN . 15673 1 745 . 1 1 65 65 ASP HA H 1 4.617 0.01 . 1 . . . . 65 D HA . 15673 1 746 . 1 1 65 65 ASP HB2 H 1 2.749 0.01 . 2 . . . . 65 D HB2 . 15673 1 747 . 1 1 65 65 ASP HB3 H 1 2.750 0.01 . 2 . . . . 65 D HB3 . 15673 1 748 . 1 1 65 65 ASP CA C 13 57.709 0.05 . 1 . . . . 65 D CA . 15673 1 749 . 1 1 65 65 ASP CB C 13 40.946 0.05 . 1 . . . . 65 D CB . 15673 1 750 . 1 1 65 65 ASP N N 15 121.394 0.05 . 1 . . . . 65 D N . 15673 1 751 . 1 1 66 66 ILE H H 1 9.055 0.01 . 1 . . . . 66 I HN . 15673 1 752 . 1 1 66 66 ILE HA H 1 3.545 0.01 . 1 . . . . 66 I HA . 15673 1 753 . 1 1 66 66 ILE HB H 1 1.877 0.01 . 1 . . . . 66 I HB . 15673 1 754 . 1 1 66 66 ILE HD11 H 1 0.694 0.01 . 1 . . . . 66 I HD11 . 15673 1 755 . 1 1 66 66 ILE HD12 H 1 0.694 0.01 . 1 . . . . 66 I HD11 . 15673 1 756 . 1 1 66 66 ILE HD13 H 1 0.694 0.01 . 1 . . . . 66 I HD11 . 15673 1 757 . 1 1 66 66 ILE HG12 H 1 1.726 0.01 . 2 . . . . 66 I HG11 . 15673 1 758 . 1 1 66 66 ILE HG13 H 1 0.741 0.01 . 2 . . . . 66 I HG12 . 15673 1 759 . 1 1 66 66 ILE HG21 H 1 0.830 0.01 . 1 . . . . 66 I HG21 . 15673 1 760 . 1 1 66 66 ILE HG22 H 1 0.830 0.01 . 1 . . . . 66 I HG21 . 15673 1 761 . 1 1 66 66 ILE HG23 H 1 0.830 0.01 . 1 . . . . 66 I HG21 . 15673 1 762 . 1 1 66 66 ILE CA C 13 67.062 0.05 . 1 . . . . 66 I CA . 15673 1 763 . 1 1 66 66 ILE CB C 13 37.881 0.05 . 1 . . . . 66 I CB . 15673 1 764 . 1 1 66 66 ILE CD1 C 13 13.260 0.05 . 1 . . . . 66 I CD1 . 15673 1 765 . 1 1 66 66 ILE CG1 C 13 28.964 0.05 . 1 . . . . 66 I CG1 . 15673 1 766 . 1 1 66 66 ILE CG2 C 13 16.512 0.05 . 1 . . . . 66 I CG2 . 15673 1 767 . 1 1 66 66 ILE N N 15 122.806 0.05 . 1 . . . . 66 I N . 15673 1 768 . 1 1 67 67 SER H H 1 7.691 0.01 . 1 . . . . 67 S HN . 15673 1 769 . 1 1 67 67 SER HA H 1 4.096 0.01 . 1 . . . . 67 S HA . 15673 1 770 . 1 1 67 67 SER HB2 H 1 4.004 0.01 . 2 . . . . 67 S HB2 . 15673 1 771 . 1 1 67 67 SER CA C 13 63.234 0.05 . 1 . . . . 67 S CA . 15673 1 772 . 1 1 67 67 SER CB C 13 63.739 0.05 . 1 . . . . 67 S CB . 15673 1 773 . 1 1 67 67 SER N N 15 114.296 0.05 . 1 . . . . 67 S N . 15673 1 774 . 1 1 68 68 LYS H H 1 7.714 0.01 . 1 . . . . 68 K HN . 15673 1 775 . 1 1 68 68 LYS HA H 1 4.019 0.01 . 1 . . . . 68 K HA . 15673 1 776 . 1 1 68 68 LYS HB2 H 1 1.931 0.01 . 2 . . . . 68 K HB2 . 15673 1 777 . 1 1 68 68 LYS HD2 H 1 1.720 0.01 . 2 . . . . 68 K HD2 . 15673 1 778 . 1 1 68 68 LYS HD3 H 1 1.622 0.01 . 2 . . . . 68 K HD3 . 15673 1 779 . 1 1 68 68 LYS HE2 H 1 2.950 0.01 . 2 . . . . 68 K HE2 . 15673 1 780 . 1 1 68 68 LYS HG2 H 1 1.426 0.01 . 2 . . . . 68 K HG2 . 15673 1 781 . 1 1 68 68 LYS HG3 H 1 1.613 0.01 . 2 . . . . 68 K HG3 . 15673 1 782 . 1 1 68 68 LYS CA C 13 59.321 0.05 . 1 . . . . 68 K CA . 15673 1 783 . 1 1 68 68 LYS CB C 13 32.893 0.05 . 1 . . . . 68 K CB . 15673 1 784 . 1 1 68 68 LYS CD C 13 28.465 0.05 . 1 . . . . 68 K CD . 15673 1 785 . 1 1 68 68 LYS CE C 13 41.963 0.05 . 1 . . . . 68 K CE . 15673 1 786 . 1 1 68 68 LYS CG C 13 24.318 0.05 . 1 . . . . 68 K CG . 15673 1 787 . 1 1 68 68 LYS N N 15 120.436 0.05 . 1 . . . . 68 K N . 15673 1 788 . 1 1 69 69 ALA H H 1 7.858 0.01 . 1 . . . . 69 A HN . 15673 1 789 . 1 1 69 69 ALA HA H 1 4.194 0.01 . 1 . . . . 69 A HA . 15673 1 790 . 1 1 69 69 ALA HB1 H 1 1.403 0.01 . 1 . . . . 69 A HB1 . 15673 1 791 . 1 1 69 69 ALA HB2 H 1 1.403 0.01 . 1 . . . . 69 A HB1 . 15673 1 792 . 1 1 69 69 ALA HB3 H 1 1.403 0.01 . 1 . . . . 69 A HB1 . 15673 1 793 . 1 1 69 69 ALA CA C 13 54.796 0.05 . 1 . . . . 69 A CA . 15673 1 794 . 1 1 69 69 ALA CB C 13 17.174 0.05 . 1 . . . . 69 A CB . 15673 1 795 . 1 1 69 69 ALA N N 15 122.375 0.05 . 1 . . . . 69 A N . 15673 1 796 . 1 1 70 70 ILE H H 1 8.089 0.01 . 1 . . . . 70 I HN . 15673 1 797 . 1 1 70 70 ILE HA H 1 3.949 0.01 . 1 . . . . 70 I HA . 15673 1 798 . 1 1 70 70 ILE HB H 1 1.934 0.01 . 1 . . . . 70 I HB . 15673 1 799 . 1 1 70 70 ILE HD11 H 1 0.800 0.01 . 1 . . . . 70 I HD11 . 15673 1 800 . 1 1 70 70 ILE HD12 H 1 0.800 0.01 . 1 . . . . 70 I HD11 . 15673 1 801 . 1 1 70 70 ILE HD13 H 1 0.800 0.01 . 1 . . . . 70 I HD11 . 15673 1 802 . 1 1 70 70 ILE HG12 H 1 1.672 0.01 . 2 . . . . 70 I HG11 . 15673 1 803 . 1 1 70 70 ILE HG13 H 1 1.187 0.01 . 2 . . . . 70 I HG12 . 15673 1 804 . 1 1 70 70 ILE HG21 H 1 0.940 0.01 . 1 . . . . 70 I HG21 . 15673 1 805 . 1 1 70 70 ILE HG22 H 1 0.940 0.01 . 1 . . . . 70 I HG21 . 15673 1 806 . 1 1 70 70 ILE HG23 H 1 0.940 0.01 . 1 . . . . 70 I HG21 . 15673 1 807 . 1 1 70 70 ILE CA C 13 65.052 0.05 . 1 . . . . 70 I CA . 15673 1 808 . 1 1 70 70 ILE CB C 13 38.430 0.05 . 1 . . . . 70 I CB . 15673 1 809 . 1 1 70 70 ILE CD1 C 13 13.213 0.05 . 1 . . . . 70 I CD1 . 15673 1 810 . 1 1 70 70 ILE CG1 C 13 27.376 0.05 . 1 . . . . 70 I CG1 . 15673 1 811 . 1 1 70 70 ILE CG2 C 13 16.446 0.05 . 1 . . . . 70 I CG2 . 15673 1 812 . 1 1 70 70 ILE N N 15 115.277 0.05 . 1 . . . . 70 I N . 15673 1 813 . 1 1 71 71 ARG H H 1 7.738 0.01 . 1 . . . . 71 R HN . 15673 1 814 . 1 1 71 71 ARG HA H 1 4.232 0.01 . 1 . . . . 71 R HA . 15673 1 815 . 1 1 71 71 ARG HB2 H 1 1.917 0.01 . 2 . . . . 71 R HB2 . 15673 1 816 . 1 1 71 71 ARG HD2 H 1 3.218 0.01 . 2 . . . . 71 R HD2 . 15673 1 817 . 1 1 71 71 ARG HG2 H 1 1.770 0.01 . 2 . . . . 71 R HG2 . 15673 1 818 . 1 1 71 71 ARG HG3 H 1 1.663 0.01 . 2 . . . . 71 R HG3 . 15673 1 819 . 1 1 71 71 ARG CA C 13 57.845 0.05 . 1 . . . . 71 R CA . 15673 1 820 . 1 1 71 71 ARG CB C 13 29.567 0.05 . 1 . . . . 71 R CB . 15673 1 821 . 1 1 71 71 ARG CD C 13 43.479 0.05 . 1 . . . . 71 R CD . 15673 1 822 . 1 1 71 71 ARG CG C 13 26.527 0.05 . 1 . . . . 71 R CG . 15673 1 823 . 1 1 71 71 ARG N N 15 120.242 0.05 . 1 . . . . 71 R N . 15673 1 824 . 1 1 72 72 ASN H H 1 8.356 0.01 . 1 . . . . 72 N HN . 15673 1 825 . 1 1 72 72 ASN HA H 1 4.580 0.01 . 1 . . . . 72 N HA . 15673 1 826 . 1 1 72 72 ASN HB2 H 1 2.849 0.01 . 2 . . . . 72 N HB2 . 15673 1 827 . 1 1 72 72 ASN HD21 H 1 7.603 0.01 . 2 . . . . 72 N HD21 . 15673 1 828 . 1 1 72 72 ASN HD22 H 1 6.917 0.01 . 2 . . . . 72 N HD22 . 15673 1 829 . 1 1 72 72 ASN CA C 13 54.927 0.05 . 1 . . . . 72 N CA . 15673 1 830 . 1 1 72 72 ASN CB C 13 39.079 0.05 . 1 . . . . 72 N CB . 15673 1 831 . 1 1 72 72 ASN N N 15 118.092 0.05 . 1 . . . . 72 N N . 15673 1 832 . 1 1 72 72 ASN ND2 N 15 112.331 0.05 . 1 . . . . 72 N ND2 . 15673 1 833 . 1 1 73 73 ASP H H 1 8.355 0.01 . 1 . . . . 73 D HN . 15673 1 834 . 1 1 73 73 ASP HA H 1 4.682 0.01 . 1 . . . . 73 D HA . 15673 1 835 . 1 1 73 73 ASP HB2 H 1 2.907 0.01 . 2 . . . . 73 D HB2 . 15673 1 836 . 1 1 73 73 ASP HB3 H 1 2.808 0.01 . 2 . . . . 73 D HB3 . 15673 1 837 . 1 1 73 73 ASP CA C 13 55.619 0.05 . 1 . . . . 73 D CA . 15673 1 838 . 1 1 73 73 ASP CB C 13 41.183 0.05 . 1 . . . . 73 D CB . 15673 1 839 . 1 1 73 73 ASP N N 15 118.332 0.05 . 1 . . . . 73 D N . 15673 1 840 . 1 1 74 74 GLY H H 1 8.016 0.01 . 1 . . . . 74 G HN . 15673 1 841 . 1 1 74 74 GLY HA2 H 1 3.989 0.01 . 2 . . . . 74 G HA2 . 15673 1 842 . 1 1 74 74 GLY HA3 H 1 3.884 0.01 . 2 . . . . 74 G HA3 . 15673 1 843 . 1 1 74 74 GLY CA C 13 46.540 0.05 . 1 . . . . 74 G CA . 15673 1 844 . 1 1 74 74 GLY N N 15 107.995 0.05 . 1 . . . . 74 G N . 15673 1 845 . 1 1 75 75 VAL H H 1 7.535 0.01 . 1 . . . . 75 V HN . 15673 1 846 . 1 1 75 75 VAL HA H 1 4.306 0.01 . 1 . . . . 75 V HA . 15673 1 847 . 1 1 75 75 VAL HB H 1 2.059 0.01 . 1 . . . . 75 V HB . 15673 1 848 . 1 1 75 75 VAL HG11 H 1 0.926 0.01 . 2 . . . . 75 V HG11 . 15673 1 849 . 1 1 75 75 VAL HG12 H 1 0.926 0.01 . 2 . . . . 75 V HG11 . 15673 1 850 . 1 1 75 75 VAL HG13 H 1 0.926 0.01 . 2 . . . . 75 V HG11 . 15673 1 851 . 1 1 75 75 VAL HG21 H 1 0.923 0.01 . 2 . . . . 75 V HG21 . 15673 1 852 . 1 1 75 75 VAL HG22 H 1 0.923 0.01 . 2 . . . . 75 V HG21 . 15673 1 853 . 1 1 75 75 VAL HG23 H 1 0.923 0.01 . 2 . . . . 75 V HG21 . 15673 1 854 . 1 1 75 75 VAL CA C 13 62.993 0.05 . 1 . . . . 75 V CA . 15673 1 855 . 1 1 75 75 VAL CB C 13 33.510 0.05 . 1 . . . . 75 V CB . 15673 1 856 . 1 1 75 75 VAL CG1 C 13 20.580 0.05 . 2 . . . . 75 V CG1 . 15673 1 857 . 1 1 75 75 VAL CG2 C 13 20.533 0.05 . 2 . . . . 75 V CG2 . 15673 1 858 . 1 1 75 75 VAL N N 15 117.519 0.05 . 1 . . . . 75 V N . 15673 1 859 . 1 1 76 76 THR H H 1 8.689 0.01 . 1 . . . . 76 T HN . 15673 1 860 . 1 1 76 76 THR HA H 1 4.377 0.01 . 1 . . . . 76 T HA . 15673 1 861 . 1 1 76 76 THR HB H 1 4.128 0.01 . 1 . . . . 76 T HB . 15673 1 862 . 1 1 76 76 THR HG21 H 1 1.190 0.01 . 1 . . . . 76 T HG21 . 15673 1 863 . 1 1 76 76 THR HG22 H 1 1.190 0.01 . 1 . . . . 76 T HG21 . 15673 1 864 . 1 1 76 76 THR HG23 H 1 1.190 0.01 . 1 . . . . 76 T HG21 . 15673 1 865 . 1 1 76 76 THR CA C 13 62.584 0.05 . 1 . . . . 76 T CA . 15673 1 866 . 1 1 76 76 THR CB C 13 70.929 0.05 . 1 . . . . 76 T CB . 15673 1 867 . 1 1 76 76 THR CG2 C 13 20.545 0.05 . 1 . . . . 76 T CG2 . 15673 1 868 . 1 1 76 76 THR N N 15 120.742 0.05 . 1 . . . . 76 T N . 15673 1 869 . 1 1 77 77 LEU H H 1 8.442 0.01 . 1 . . . . 77 L HN . 15673 1 870 . 1 1 77 77 LEU HA H 1 4.741 0.01 . 1 . . . . 77 L HA . 15673 1 871 . 1 1 77 77 LEU HB2 H 1 1.694 0.01 . 2 . . . . 77 L HB2 . 15673 1 872 . 1 1 77 77 LEU HB3 H 1 1.570 0.01 . 2 . . . . 77 L HB3 . 15673 1 873 . 1 1 77 77 LEU HD11 H 1 0.797 0.01 . 2 . . . . 77 L HD11 . 15673 1 874 . 1 1 77 77 LEU HD12 H 1 0.797 0.01 . 2 . . . . 77 L HD11 . 15673 1 875 . 1 1 77 77 LEU HD13 H 1 0.797 0.01 . 2 . . . . 77 L HD11 . 15673 1 876 . 1 1 77 77 LEU HD21 H 1 0.719 0.01 . 2 . . . . 77 L HD21 . 15673 1 877 . 1 1 77 77 LEU HD22 H 1 0.719 0.01 . 2 . . . . 77 L HD21 . 15673 1 878 . 1 1 77 77 LEU HD23 H 1 0.719 0.01 . 2 . . . . 77 L HD21 . 15673 1 879 . 1 1 77 77 LEU HG H 1 1.653 0.01 . 1 . . . . 77 L HG . 15673 1 880 . 1 1 77 77 LEU CA C 13 53.992 0.05 . 1 . . . . 77 L CA . 15673 1 881 . 1 1 77 77 LEU CB C 13 43.421 0.05 . 1 . . . . 77 L CB . 15673 1 882 . 1 1 77 77 LEU CD1 C 13 25.612 0.05 . 2 . . . . 77 L CD1 . 15673 1 883 . 1 1 77 77 LEU CD2 C 13 21.802 0.05 . 2 . . . . 77 L CD2 . 15673 1 884 . 1 1 77 77 LEU CG C 13 26.056 0.05 . 1 . . . . 77 L CG . 15673 1 885 . 1 1 77 77 LEU N N 15 126.038 0.05 . 1 . . . . 77 L N . 15673 1 886 . 1 1 78 78 SER H H 1 8.538 0.01 . 1 . . . . 78 S HN . 15673 1 887 . 1 1 78 78 SER HA H 1 4.537 0.01 . 1 . . . . 78 S HA . 15673 1 888 . 1 1 78 78 SER HB2 H 1 3.985 0.01 . 2 . . . . 78 S HB2 . 15673 1 889 . 1 1 78 78 SER HB3 H 1 4.411 0.01 . 2 . . . . 78 S HB3 . 15673 1 890 . 1 1 78 78 SER CA C 13 56.879 0.05 . 1 . . . . 78 S CA . 15673 1 891 . 1 1 78 78 SER CB C 13 66.302 0.05 . 1 . . . . 78 S CB . 15673 1 892 . 1 1 78 78 SER N N 15 119.105 0.05 . 1 . . . . 78 S N . 15673 1 893 . 1 1 79 79 ASP H H 1 9.031 0.01 . 1 . . . . 79 D HN . 15673 1 894 . 1 1 79 79 ASP HA H 1 4.353 0.01 . 1 . . . . 79 D HA . 15673 1 895 . 1 1 79 79 ASP HB2 H 1 2.728 0.01 . 2 . . . . 79 D HB2 . 15673 1 896 . 1 1 79 79 ASP HB3 H 1 2.671 0.01 . 2 . . . . 79 D HB3 . 15673 1 897 . 1 1 79 79 ASP CA C 13 58.293 0.05 . 1 . . . . 79 D CA . 15673 1 898 . 1 1 79 79 ASP CB C 13 40.883 0.05 . 1 . . . . 79 D CB . 15673 1 899 . 1 1 79 79 ASP N N 15 122.282 0.05 . 1 . . . . 79 D N . 15673 1 900 . 1 1 80 80 TYR H H 1 8.517 0.01 . 1 . . . . 80 Y HN . 15673 1 901 . 1 1 80 80 TYR HA H 1 4.093 0.01 . 1 . . . . 80 Y HA . 15673 1 902 . 1 1 80 80 TYR HB2 H 1 3.230 0.01 . 2 . . . . 80 Y HB2 . 15673 1 903 . 1 1 80 80 TYR HB3 H 1 2.725 0.01 . 2 . . . . 80 Y HB3 . 15673 1 904 . 1 1 80 80 TYR HD1 H 1 7.010 0.01 . 3 . . . . 80 Y HD1 . 15673 1 905 . 1 1 80 80 TYR HE1 H 1 6.630 0.01 . 3 . . . . 80 Y HE1 . 15673 1 906 . 1 1 80 80 TYR CA C 13 62.644 0.05 . 1 . . . . 80 Y CA . 15673 1 907 . 1 1 80 80 TYR CB C 13 39.164 0.05 . 1 . . . . 80 Y CB . 15673 1 908 . 1 1 80 80 TYR CD1 C 13 133.362 0.05 . 3 . . . . 80 Y CD1 . 15673 1 909 . 1 1 80 80 TYR CE1 C 13 117.981 0.05 . 3 . . . . 80 Y CE1 . 15673 1 910 . 1 1 80 80 TYR N N 15 119.911 0.05 . 1 . . . . 80 Y N . 15673 1 911 . 1 1 81 81 GLN H H 1 7.815 0.01 . 1 . . . . 81 Q HN . 15673 1 912 . 1 1 81 81 GLN HA H 1 3.556 0.01 . 1 . . . . 81 Q HA . 15673 1 913 . 1 1 81 81 GLN HB2 H 1 2.388 0.01 . 2 . . . . 81 Q HB2 . 15673 1 914 . 1 1 81 81 GLN HB3 H 1 1.657 0.01 . 2 . . . . 81 Q HB3 . 15673 1 915 . 1 1 81 81 GLN HE21 H 1 7.909 0.01 . 2 . . . . 81 Q HE21 . 15673 1 916 . 1 1 81 81 GLN HE22 H 1 6.944 0.01 . 2 . . . . 81 Q HE22 . 15673 1 917 . 1 1 81 81 GLN HG2 H 1 2.704 0.01 . 2 . . . . 81 Q HG2 . 15673 1 918 . 1 1 81 81 GLN HG3 H 1 2.359 0.01 . 2 . . . . 81 Q HG3 . 15673 1 919 . 1 1 81 81 GLN CA C 13 58.744 0.05 . 1 . . . . 81 Q CA . 15673 1 920 . 1 1 81 81 GLN CB C 13 27.083 0.05 . 1 . . . . 81 Q CB . 15673 1 921 . 1 1 81 81 GLN CG C 13 34.136 0.05 . 1 . . . . 81 Q CG . 15673 1 922 . 1 1 81 81 GLN N N 15 117.694 0.05 . 1 . . . . 81 Q N . 15673 1 923 . 1 1 81 81 GLN NE2 N 15 109.948 0.05 . 1 . . . . 81 Q NE2 . 15673 1 924 . 1 1 82 82 SER H H 1 8.865 0.01 . 1 . . . . 82 S HN . 15673 1 925 . 1 1 82 82 SER HA H 1 3.978 0.01 . 1 . . . . 82 S HA . 15673 1 926 . 1 1 82 82 SER HB2 H 1 3.886 0.01 . 2 . . . . 82 S HB2 . 15673 1 927 . 1 1 82 82 SER CA C 13 63.512 0.05 . 1 . . . . 82 S CA . 15673 1 928 . 1 1 82 82 SER CB C 13 63.789 0.05 . 1 . . . . 82 S CB . 15673 1 929 . 1 1 82 82 SER N N 15 113.668 0.05 . 1 . . . . 82 S N . 15673 1 930 . 1 1 83 83 LYS H H 1 8.085 0.01 . 1 . . . . 83 K HN . 15673 1 931 . 1 1 83 83 LYS HA H 1 3.939 0.01 . 1 . . . . 83 K HA . 15673 1 932 . 1 1 83 83 LYS HB2 H 1 1.873 0.01 . 2 . . . . 83 K HB2 . 15673 1 933 . 1 1 83 83 LYS HB3 H 1 1.856 0.01 . 2 . . . . 83 K HB3 . 15673 1 934 . 1 1 83 83 LYS HD2 H 1 1.611 0.01 . 2 . . . . 83 K HD2 . 15673 1 935 . 1 1 83 83 LYS HE2 H 1 2.930 0.01 . 2 . . . . 83 K HE2 . 15673 1 936 . 1 1 83 83 LYS HG2 H 1 1.532 0.01 . 2 . . . . 83 K HG2 . 15673 1 937 . 1 1 83 83 LYS HG3 H 1 1.319 0.01 . 2 . . . . 83 K HG3 . 15673 1 938 . 1 1 83 83 LYS CA C 13 59.965 0.05 . 1 . . . . 83 K CA . 15673 1 939 . 1 1 83 83 LYS CB C 13 32.258 0.05 . 1 . . . . 83 K CB . 15673 1 940 . 1 1 83 83 LYS CD C 13 28.465 0.05 . 1 . . . . 83 K CD . 15673 1 941 . 1 1 83 83 LYS CE C 13 42.065 0.05 . 1 . . . . 83 K CE . 15673 1 942 . 1 1 83 83 LYS CG C 13 24.743 0.05 . 1 . . . . 83 K CG . 15673 1 943 . 1 1 83 83 LYS N N 15 122.388 0.05 . 1 . . . . 83 K N . 15673 1 944 . 1 1 84 84 LYS H H 1 7.875 0.01 . 1 . . . . 84 K HN . 15673 1 945 . 1 1 84 84 LYS HA H 1 4.039 0.01 . 1 . . . . 84 K HA . 15673 1 946 . 1 1 84 84 LYS HB2 H 1 1.808 0.01 . 2 . . . . 84 K HB2 . 15673 1 947 . 1 1 84 84 LYS HB3 H 1 1.428 0.01 . 2 . . . . 84 K HB3 . 15673 1 948 . 1 1 84 84 LYS HD2 H 1 1.574 0.01 . 2 . . . . 84 K HD2 . 15673 1 949 . 1 1 84 84 LYS HD3 H 1 1.455 0.01 . 2 . . . . 84 K HD3 . 15673 1 950 . 1 1 84 84 LYS HE2 H 1 2.830 0.01 . 2 . . . . 84 K HE2 . 15673 1 951 . 1 1 84 84 LYS HE3 H 1 2.659 0.01 . 2 . . . . 84 K HE3 . 15673 1 952 . 1 1 84 84 LYS HG2 H 1 0.928 0.01 . 2 . . . . 84 K HG2 . 15673 1 953 . 1 1 84 84 LYS CA C 13 57.386 0.05 . 1 . . . . 84 K CA . 15673 1 954 . 1 1 84 84 LYS CB C 13 30.196 0.05 . 1 . . . . 84 K CB . 15673 1 955 . 1 1 84 84 LYS CD C 13 26.470 0.05 . 1 . . . . 84 K CD . 15673 1 956 . 1 1 84 84 LYS CE C 13 41.697 0.05 . 1 . . . . 84 K CE . 15673 1 957 . 1 1 84 84 LYS CG C 13 22.799 0.05 . 1 . . . . 84 K CG . 15673 1 958 . 1 1 84 84 LYS N N 15 119.540 0.05 . 1 . . . . 84 K N . 15673 1 959 . 1 1 85 85 LEU H H 1 8.434 0.01 . 1 . . . . 85 L HN . 15673 1 960 . 1 1 85 85 LEU HA H 1 3.961 0.01 . 1 . . . . 85 L HA . 15673 1 961 . 1 1 85 85 LEU HB2 H 1 1.738 0.01 . 2 . . . . 85 L HB2 . 15673 1 962 . 1 1 85 85 LEU HB3 H 1 1.583 0.01 . 2 . . . . 85 L HB3 . 15673 1 963 . 1 1 85 85 LEU HD11 H 1 0.839 0.01 . 2 . . . . 85 L HD11 . 15673 1 964 . 1 1 85 85 LEU HD12 H 1 0.839 0.01 . 2 . . . . 85 L HD11 . 15673 1 965 . 1 1 85 85 LEU HD13 H 1 0.839 0.01 . 2 . . . . 85 L HD11 . 15673 1 966 . 1 1 85 85 LEU HD21 H 1 0.812 0.01 . 2 . . . . 85 L HD21 . 15673 1 967 . 1 1 85 85 LEU HD22 H 1 0.812 0.01 . 2 . . . . 85 L HD21 . 15673 1 968 . 1 1 85 85 LEU HD23 H 1 0.812 0.01 . 2 . . . . 85 L HD21 . 15673 1 969 . 1 1 85 85 LEU HG H 1 1.716 0.01 . 1 . . . . 85 L HG . 15673 1 970 . 1 1 85 85 LEU CA C 13 58.186 0.05 . 1 . . . . 85 L CA . 15673 1 971 . 1 1 85 85 LEU CB C 13 41.568 0.05 . 1 . . . . 85 L CB . 15673 1 972 . 1 1 85 85 LEU CD1 C 13 24.947 0.05 . 2 . . . . 85 L CD1 . 15673 1 973 . 1 1 85 85 LEU CD2 C 13 23.976 0.05 . 2 . . . . 85 L CD2 . 15673 1 974 . 1 1 85 85 LEU CG C 13 26.275 0.05 . 1 . . . . 85 L CG . 15673 1 975 . 1 1 85 85 LEU N N 15 119.742 0.05 . 1 . . . . 85 L N . 15673 1 976 . 1 1 86 86 LYS H H 1 8.013 0.01 . 1 . . . . 86 K HN . 15673 1 977 . 1 1 86 86 LYS HA H 1 4.023 0.01 . 1 . . . . 86 K HA . 15673 1 978 . 1 1 86 86 LYS HB2 H 1 1.910 0.01 . 2 . . . . 86 K HB2 . 15673 1 979 . 1 1 86 86 LYS HD2 H 1 1.611 0.01 . 2 . . . . 86 K HD2 . 15673 1 980 . 1 1 86 86 LYS HD3 H 1 1.619 0.01 . 2 . . . . 86 K HD3 . 15673 1 981 . 1 1 86 86 LYS HE2 H 1 2.890 0.01 . 2 . . . . 86 K HE2 . 15673 1 982 . 1 1 86 86 LYS HG2 H 1 1.501 0.01 . 2 . . . . 86 K HG2 . 15673 1 983 . 1 1 86 86 LYS HG3 H 1 1.378 0.01 . 2 . . . . 86 K HG3 . 15673 1 984 . 1 1 86 86 LYS CA C 13 59.397 0.05 . 1 . . . . 86 K CA . 15673 1 985 . 1 1 86 86 LYS CB C 13 31.995 0.05 . 1 . . . . 86 K CB . 15673 1 986 . 1 1 86 86 LYS CD C 13 28.238 0.05 . 1 . . . . 86 K CD . 15673 1 987 . 1 1 86 86 LYS CE C 13 42.002 0.05 . 1 . . . . 86 K CE . 15673 1 988 . 1 1 86 86 LYS CG C 13 24.345 0.05 . 1 . . . . 86 K CG . 15673 1 989 . 1 1 86 86 LYS N N 15 120.878 0.05 . 1 . . . . 86 K N . 15673 1 990 . 1 1 87 87 GLU H H 1 7.877 0.01 . 1 . . . . 87 E HN . 15673 1 991 . 1 1 87 87 GLU HA H 1 3.929 0.01 . 1 . . . . 87 E HA . 15673 1 992 . 1 1 87 87 GLU HB2 H 1 2.248 0.01 . 2 . . . . 87 E HB2 . 15673 1 993 . 1 1 87 87 GLU HB3 H 1 2.114 0.01 . 2 . . . . 87 E HB3 . 15673 1 994 . 1 1 87 87 GLU HG2 H 1 2.435 0.01 . 2 . . . . 87 E HG2 . 15673 1 995 . 1 1 87 87 GLU HG3 H 1 2.120 0.01 . 2 . . . . 87 E HG3 . 15673 1 996 . 1 1 87 87 GLU CA C 13 59.686 0.05 . 1 . . . . 87 E CA . 15673 1 997 . 1 1 87 87 GLU CB C 13 28.739 0.05 . 1 . . . . 87 E CB . 15673 1 998 . 1 1 87 87 GLU CG C 13 36.445 0.05 . 1 . . . . 87 E CG . 15673 1 999 . 1 1 87 87 GLU N N 15 121.666 0.05 . 1 . . . . 87 E N . 15673 1 1000 . 1 1 88 88 LEU H H 1 8.221 0.01 . 1 . . . . 88 L HN . 15673 1 1001 . 1 1 88 88 LEU HA H 1 4.002 0.01 . 1 . . . . 88 L HA . 15673 1 1002 . 1 1 88 88 LEU HB2 H 1 2.030 0.01 . 2 . . . . 88 L HB2 . 15673 1 1003 . 1 1 88 88 LEU HB3 H 1 1.710 0.01 . 2 . . . . 88 L HB3 . 15673 1 1004 . 1 1 88 88 LEU HD11 H 1 0.784 0.01 . 2 . . . . 88 L HD11 . 15673 1 1005 . 1 1 88 88 LEU HD12 H 1 0.784 0.01 . 2 . . . . 88 L HD11 . 15673 1 1006 . 1 1 88 88 LEU HD13 H 1 0.784 0.01 . 2 . . . . 88 L HD11 . 15673 1 1007 . 1 1 88 88 LEU HD21 H 1 0.880 0.01 . 2 . . . . 88 L HD21 . 15673 1 1008 . 1 1 88 88 LEU HD22 H 1 0.880 0.01 . 2 . . . . 88 L HD21 . 15673 1 1009 . 1 1 88 88 LEU HD23 H 1 0.880 0.01 . 2 . . . . 88 L HD21 . 15673 1 1010 . 1 1 88 88 LEU HG H 1 1.555 0.01 . 1 . . . . 88 L HG . 15673 1 1011 . 1 1 88 88 LEU CA C 13 57.858 0.05 . 1 . . . . 88 L CA . 15673 1 1012 . 1 1 88 88 LEU CB C 13 42.260 0.05 . 1 . . . . 88 L CB . 15673 1 1013 . 1 1 88 88 LEU CD1 C 13 25.219 0.05 . 2 . . . . 88 L CD1 . 15673 1 1014 . 1 1 88 88 LEU CD2 C 13 22.710 0.05 . 2 . . . . 88 L CD2 . 15673 1 1015 . 1 1 88 88 LEU CG C 13 25.949 0.05 . 1 . . . . 88 L CG . 15673 1 1016 . 1 1 88 88 LEU N N 15 119.714 0.05 . 1 . . . . 88 L N . 15673 1 1017 . 1 1 89 89 THR H H 1 8.333 0.01 . 1 . . . . 89 T HN . 15673 1 1018 . 1 1 89 89 THR HA H 1 4.126 0.01 . 1 . . . . 89 T HA . 15673 1 1019 . 1 1 89 89 THR HB H 1 4.296 0.01 . 1 . . . . 89 T HB . 15673 1 1020 . 1 1 89 89 THR HG21 H 1 1.210 0.01 . 1 . . . . 89 T HG21 . 15673 1 1021 . 1 1 89 89 THR HG22 H 1 1.210 0.01 . 1 . . . . 89 T HG21 . 15673 1 1022 . 1 1 89 89 THR HG23 H 1 1.210 0.01 . 1 . . . . 89 T HG21 . 15673 1 1023 . 1 1 89 89 THR CA C 13 65.759 0.05 . 1 . . . . 89 T CA . 15673 1 1024 . 1 1 89 89 THR CB C 13 70.065 0.05 . 1 . . . . 89 T CB . 15673 1 1025 . 1 1 89 89 THR CG2 C 13 20.778 0.05 . 1 . . . . 89 T CG2 . 15673 1 1026 . 1 1 89 89 THR N N 15 110.773 0.05 . 1 . . . . 89 T N . 15673 1 1027 . 1 1 90 90 SER H H 1 7.769 0.01 . 1 . . . . 90 S HN . 15673 1 1028 . 1 1 90 90 SER HA H 1 4.414 0.01 . 1 . . . . 90 S HA . 15673 1 1029 . 1 1 90 90 SER HB2 H 1 3.982 0.01 . 2 . . . . 90 S HB2 . 15673 1 1030 . 1 1 90 90 SER CA C 13 60.394 0.05 . 1 . . . . 90 S CA . 15673 1 1031 . 1 1 90 90 SER CB C 13 64.457 0.05 . 1 . . . . 90 S CB . 15673 1 1032 . 1 1 90 90 SER N N 15 116.583 0.05 . 1 . . . . 90 S N . 15673 1 1033 . 1 1 91 91 ILE H H 1 7.468 0.01 . 1 . . . . 91 I HN . 15673 1 1034 . 1 1 91 91 ILE HA H 1 3.912 0.01 . 1 . . . . 91 I HA . 15673 1 1035 . 1 1 91 91 ILE HB H 1 1.883 0.01 . 1 . . . . 91 I HB . 15673 1 1036 . 1 1 91 91 ILE HD11 H 1 0.818 0.01 . 1 . . . . 91 I HD11 . 15673 1 1037 . 1 1 91 91 ILE HD12 H 1 0.818 0.01 . 1 . . . . 91 I HD11 . 15673 1 1038 . 1 1 91 91 ILE HD13 H 1 0.818 0.01 . 1 . . . . 91 I HD11 . 15673 1 1039 . 1 1 91 91 ILE HG12 H 1 1.740 0.01 . 2 . . . . 91 I HG11 . 15673 1 1040 . 1 1 91 91 ILE HG13 H 1 1.184 0.01 . 2 . . . . 91 I HG12 . 15673 1 1041 . 1 1 91 91 ILE HG21 H 1 0.885 0.01 . 1 . . . . 91 I HG21 . 15673 1 1042 . 1 1 91 91 ILE HG22 H 1 0.885 0.01 . 1 . . . . 91 I HG21 . 15673 1 1043 . 1 1 91 91 ILE HG23 H 1 0.885 0.01 . 1 . . . . 91 I HG21 . 15673 1 1044 . 1 1 91 91 ILE CA C 13 64.701 0.05 . 1 . . . . 91 I CA . 15673 1 1045 . 1 1 91 91 ILE CB C 13 38.229 0.05 . 1 . . . . 91 I CB . 15673 1 1046 . 1 1 91 91 ILE CD1 C 13 13.203 0.05 . 1 . . . . 91 I CD1 . 15673 1 1047 . 1 1 91 91 ILE CG1 C 13 27.361 0.05 . 1 . . . . 91 I CG1 . 15673 1 1048 . 1 1 91 91 ILE CG2 C 13 16.909 0.05 . 1 . . . . 91 I CG2 . 15673 1 1049 . 1 1 91 91 ILE N N 15 120.661 0.05 . 1 . . . . 91 I N . 15673 1 1050 . 1 1 92 92 SER H H 1 7.923 0.01 . 1 . . . . 92 S HN . 15673 1 1051 . 1 1 92 92 SER HA H 1 4.273 0.01 . 1 . . . . 92 S HA . 15673 1 1052 . 1 1 92 92 SER HB2 H 1 3.884 0.01 . 2 . . . . 92 S HB2 . 15673 1 1053 . 1 1 92 92 SER HB3 H 1 3.758 0.01 . 2 . . . . 92 S HB3 . 15673 1 1054 . 1 1 92 92 SER CA C 13 59.441 0.05 . 1 . . . . 92 S CA . 15673 1 1055 . 1 1 92 92 SER CB C 13 64.662 0.05 . 1 . . . . 92 S CB . 15673 1 1056 . 1 1 92 92 SER N N 15 114.910 0.05 . 1 . . . . 92 S N . 15673 1 1057 . 1 1 93 93 ASN H H 1 7.841 0.01 . 1 . . . . 93 N HN . 15673 1 1058 . 1 1 93 93 ASN HA H 1 4.683 0.01 . 1 . . . . 93 N HA . 15673 1 1059 . 1 1 93 93 ASN HB2 H 1 2.854 0.01 . 2 . . . . 93 N HB2 . 15673 1 1060 . 1 1 93 93 ASN HB3 H 1 2.756 0.01 . 2 . . . . 93 N HB3 . 15673 1 1061 . 1 1 93 93 ASN HD21 H 1 7.535 0.01 . 2 . . . . 93 N HD21 . 15673 1 1062 . 1 1 93 93 ASN HD22 H 1 6.837 0.01 . 2 . . . . 93 N HD22 . 15673 1 1063 . 1 1 93 93 ASN CA C 13 53.402 0.05 . 1 . . . . 93 N CA . 15673 1 1064 . 1 1 93 93 ASN CB C 13 38.972 0.05 . 1 . . . . 93 N CB . 15673 1 1065 . 1 1 93 93 ASN N N 15 119.699 0.05 . 1 . . . . 93 N N . 15673 1 1066 . 1 1 93 93 ASN ND2 N 15 112.144 0.05 . 1 . . . . 93 N ND2 . 15673 1 1067 . 1 1 94 94 ILE H H 1 7.816 0.01 . 1 . . . . 94 I HN . 15673 1 1068 . 1 1 94 94 ILE HA H 1 4.033 0.01 . 1 . . . . 94 I HA . 15673 1 1069 . 1 1 94 94 ILE HB H 1 1.790 0.01 . 1 . . . . 94 I HB . 15673 1 1070 . 1 1 94 94 ILE HD11 H 1 0.818 0.01 . 1 . . . . 94 I HD11 . 15673 1 1071 . 1 1 94 94 ILE HD12 H 1 0.818 0.01 . 1 . . . . 94 I HD11 . 15673 1 1072 . 1 1 94 94 ILE HD13 H 1 0.818 0.01 . 1 . . . . 94 I HD11 . 15673 1 1073 . 1 1 94 94 ILE HG12 H 1 1.457 0.01 . 2 . . . . 94 I HG11 . 15673 1 1074 . 1 1 94 94 ILE HG13 H 1 1.123 0.01 . 2 . . . . 94 I HG12 . 15673 1 1075 . 1 1 94 94 ILE HG21 H 1 0.747 0.01 . 1 . . . . 94 I HG21 . 15673 1 1076 . 1 1 94 94 ILE HG22 H 1 0.747 0.01 . 1 . . . . 94 I HG21 . 15673 1 1077 . 1 1 94 94 ILE HG23 H 1 0.747 0.01 . 1 . . . . 94 I HG21 . 15673 1 1078 . 1 1 94 94 ILE CA C 13 62.758 0.05 . 1 . . . . 94 I CA . 15673 1 1079 . 1 1 94 94 ILE CB C 13 38.780 0.05 . 1 . . . . 94 I CB . 15673 1 1080 . 1 1 94 94 ILE CD1 C 13 12.282 0.05 . 1 . . . . 94 I CD1 . 15673 1 1081 . 1 1 94 94 ILE CG1 C 13 26.651 0.05 . 1 . . . . 94 I CG1 . 15673 1 1082 . 1 1 94 94 ILE CG2 C 13 16.550 0.05 . 1 . . . . 94 I CG2 . 15673 1 1083 . 1 1 94 94 ILE N N 15 120.948 0.05 . 1 . . . . 94 I N . 15673 1 1084 . 1 1 95 95 ARG H H 1 8.268 0.01 . 1 . . . . 95 R HN . 15673 1 1085 . 1 1 95 95 ARG HA H 1 4.275 0.01 . 1 . . . . 95 R HA . 15673 1 1086 . 1 1 95 95 ARG HB2 H 1 1.644 0.01 . 2 . . . . 95 R HB2 . 15673 1 1087 . 1 1 95 95 ARG HB3 H 1 1.626 0.01 . 2 . . . . 95 R HB3 . 15673 1 1088 . 1 1 95 95 ARG HD2 H 1 3.041 0.01 . 2 . . . . 95 R HD2 . 15673 1 1089 . 1 1 95 95 ARG HG2 H 1 1.454 0.01 . 2 . . . . 95 R HG2 . 15673 1 1090 . 1 1 95 95 ARG HG3 H 1 1.398 0.01 . 2 . . . . 95 R HG3 . 15673 1 1091 . 1 1 95 95 ARG CA C 13 55.749 0.05 . 1 . . . . 95 R CA . 15673 1 1092 . 1 1 95 95 ARG CB C 13 29.862 0.05 . 1 . . . . 95 R CB . 15673 1 1093 . 1 1 95 95 ARG CD C 13 43.264 0.05 . 1 . . . . 95 R CD . 15673 1 1094 . 1 1 95 95 ARG CG C 13 26.096 0.05 . 1 . . . . 95 R CG . 15673 1 1095 . 1 1 95 95 ARG N N 15 124.317 0.05 . 1 . . . . 95 R N . 15673 1 1096 . 1 1 96 96 TYR H H 1 8.105 0.01 . 1 . . . . 96 Y HN . 15673 1 1097 . 1 1 96 96 TYR HA H 1 4.527 0.01 . 1 . . . . 96 Y HA . 15673 1 1098 . 1 1 96 96 TYR HB2 H 1 2.984 0.01 . 2 . . . . 96 Y HB2 . 15673 1 1099 . 1 1 96 96 TYR HB3 H 1 2.855 0.01 . 2 . . . . 96 Y HB3 . 15673 1 1100 . 1 1 96 96 TYR HD1 H 1 7.063 0.01 . 3 . . . . 96 Y HD1 . 15673 1 1101 . 1 1 96 96 TYR HE1 H 1 6.776 0.01 . 3 . . . . 96 Y HE1 . 15673 1 1102 . 1 1 96 96 TYR CA C 13 58.182 0.05 . 1 . . . . 96 Y CA . 15673 1 1103 . 1 1 96 96 TYR CB C 13 39.241 0.05 . 1 . . . . 96 Y CB . 15673 1 1104 . 1 1 96 96 TYR CD1 C 13 133.259 0.05 . 3 . . . . 96 Y CD1 . 15673 1 1105 . 1 1 96 96 TYR CE1 C 13 118.210 0.05 . 3 . . . . 96 Y CE1 . 15673 1 1106 . 1 1 96 96 TYR N N 15 121.409 0.05 . 1 . . . . 96 Y N . 15673 1 1107 . 1 1 97 97 GLY H H 1 8.155 0.01 . 1 . . . . 97 G HN . 15673 1 1108 . 1 1 97 97 GLY HA2 H 1 3.845 0.01 . 2 . . . . 97 G HA2 . 15673 1 1109 . 1 1 97 97 GLY HA3 H 1 3.695 0.01 . 2 . . . . 97 G HA3 . 15673 1 1110 . 1 1 97 97 GLY CA C 13 45.325 0.05 . 1 . . . . 97 G CA . 15673 1 1111 . 1 1 97 97 GLY N N 15 110.796 0.05 . 1 . . . . 97 G N . 15673 1 1112 . 1 1 98 98 TYR H H 1 7.506 0.01 . 1 . . . . 98 Y HN . 15673 1 1113 . 1 1 98 98 TYR HA H 1 4.351 0.01 . 1 . . . . 98 Y HA . 15673 1 1114 . 1 1 98 98 TYR HB2 H 1 3.054 0.01 . 2 . . . . 98 Y HB2 . 15673 1 1115 . 1 1 98 98 TYR HB3 H 1 2.849 0.01 . 2 . . . . 98 Y HB3 . 15673 1 1116 . 1 1 98 98 TYR HD1 H 1 7.030 0.01 . 3 . . . . 98 Y HD1 . 15673 1 1117 . 1 1 98 98 TYR HE1 H 1 6.767 0.01 . 3 . . . . 98 Y HE1 . 15673 1 1118 . 1 1 98 98 TYR CA C 13 59.226 0.05 . 1 . . . . 98 Y CA . 15673 1 1119 . 1 1 98 98 TYR CB C 13 39.563 0.05 . 1 . . . . 98 Y CB . 15673 1 1120 . 1 1 98 98 TYR CD1 C 13 133.441 0.05 . 3 . . . . 98 Y CD1 . 15673 1 1121 . 1 1 98 98 TYR CE1 C 13 118.045 0.05 . 3 . . . . 98 Y CE1 . 15673 1 1122 . 1 1 98 98 TYR N N 15 124.525 0.05 . 1 . . . . 98 Y N . 15673 1 stop_ save_