data_15805 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15805 _Entry.Title ; NMR structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-13 _Entry.Accession_date 2008-06-13 _Entry.Last_release_date 2009-10-12 _Entry.Original_release_date 2009-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 John Cort . R. . 15805 2 Chi Ho . K. . 15805 3 Karishma Shetty . . . 15805 4 Kellie Cunningham . . . 15805 5 Li-Chung Ma . . . 15805 6 Rong Xiao . . . 15805 7 Jinfeng Liu . . . 15805 8 Michael Baran . C. . 15805 9 G.V.T Swapna . . . 15805 10 Thomas Acton . B. . 15805 11 Burkhard Rost . . . 15805 12 Gaetano Montelione . T. . 15805 13 Michael Kennedy . A. . 15805 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15805 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha-helix . 15805 beta-sheet . 15805 'mobile loop' . 15805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 15805 '15N chemical shifts' 102 15805 '1H chemical shifts' 631 15805 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-12 2008-06-13 original author . 15805 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K4N 'BMRB Entry Tracking System' 15805 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15805 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution-State NMR Structure of protein PF0246 from Pyrococcus Furiosis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cort . R. . 15805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15805 _Assembly.ID 1 _Assembly.Name PA0246 _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 PA0246 1 $PA0426 A . yes native yes no . . 'NH peak doubling and tripling attributible to switching between conformational states or proline cis-trans isomerism was observed in a partially structured loop of the protein' 15805 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID unknown 15805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PA0426 _Entity.Sf_category entity _Entity.Sf_framecode PA0426 _Entity.Entry_ID 15805 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PA0426 _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 ; MNSEVIKEFLEDIGEDYIEL ENEIHLKPEVFYEVWKYVGE PELKTYVIEDEIVEPGEYDP PEMKYTNVKKVKIKKVYFET LDNVRVVTDYSEFQKILKKR GTKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The protein contains a C-terminal His-tag, -LEHHHHHH' _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K4N . "Nmr Structure Of Protein Pf0246 From Pyrococcus Furiosus: Target Pfr75 From The Northeast Structural Genomics Consortium" . . . . . 100.00 111 100.00 100.00 1.76e-70 . . . . 15805 1 2 no GB AAL80370 . "hypothetical protein PF0246 [Pyrococcus furiosus DSM 3638]" . . . . . 92.79 103 100.00 100.00 1.17e-63 . . . . 15805 1 3 no GB AFN03032 . "hypothetical protein PFC_00280 [Pyrococcus furiosus COM1]" . . . . . 92.79 103 100.00 100.00 1.17e-63 . . . . 15805 1 4 no REF WP_011011361 . "hypothetical protein [Pyrococcus furiosus]" . . . . . 92.79 103 100.00 100.00 1.17e-63 . . . . 15805 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 15805 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 . 15805 1 2 . ASN . 15805 1 3 . SER . 15805 1 4 . GLU . 15805 1 5 . VAL . 15805 1 6 . ILE . 15805 1 7 . LYS . 15805 1 8 . GLU . 15805 1 9 . PHE . 15805 1 10 . LEU . 15805 1 11 . GLU . 15805 1 12 . ASP . 15805 1 13 . ILE . 15805 1 14 . GLY . 15805 1 15 . GLU . 15805 1 16 . ASP . 15805 1 17 . TYR . 15805 1 18 . ILE . 15805 1 19 . GLU . 15805 1 20 . LEU . 15805 1 21 . GLU . 15805 1 22 . ASN . 15805 1 23 . GLU . 15805 1 24 . ILE . 15805 1 25 . HIS . 15805 1 26 . LEU . 15805 1 27 . LYS . 15805 1 28 . PRO . 15805 1 29 . GLU . 15805 1 30 . VAL . 15805 1 31 . PHE . 15805 1 32 . TYR . 15805 1 33 . GLU . 15805 1 34 . VAL . 15805 1 35 . TRP . 15805 1 36 . LYS . 15805 1 37 . TYR . 15805 1 38 . VAL . 15805 1 39 . GLY . 15805 1 40 . GLU . 15805 1 41 . PRO . 15805 1 42 . GLU . 15805 1 43 . LEU . 15805 1 44 . LYS . 15805 1 45 . THR . 15805 1 46 . TYR . 15805 1 47 . VAL . 15805 1 48 . ILE . 15805 1 49 . GLU . 15805 1 50 . ASP . 15805 1 51 . GLU . 15805 1 52 . ILE . 15805 1 53 . VAL . 15805 1 54 . GLU . 15805 1 55 . PRO . 15805 1 56 . GLY . 15805 1 57 . GLU . 15805 1 58 . TYR . 15805 1 59 . ASP . 15805 1 60 . PRO . 15805 1 61 . PRO . 15805 1 62 . GLU . 15805 1 63 . MET . 15805 1 64 . LYS . 15805 1 65 . TYR . 15805 1 66 . THR . 15805 1 67 . ASN . 15805 1 68 . VAL . 15805 1 69 . LYS . 15805 1 70 . LYS . 15805 1 71 . VAL . 15805 1 72 . LYS . 15805 1 73 . ILE . 15805 1 74 . LYS . 15805 1 75 . LYS . 15805 1 76 . VAL . 15805 1 77 . TYR . 15805 1 78 . PHE . 15805 1 79 . GLU . 15805 1 80 . THR . 15805 1 81 . LEU . 15805 1 82 . ASP . 15805 1 83 . ASN . 15805 1 84 . VAL . 15805 1 85 . ARG . 15805 1 86 . VAL . 15805 1 87 . VAL . 15805 1 88 . THR . 15805 1 89 . ASP . 15805 1 90 . TYR . 15805 1 91 . SER . 15805 1 92 . GLU . 15805 1 93 . PHE . 15805 1 94 . GLN . 15805 1 95 . LYS . 15805 1 96 . ILE . 15805 1 97 . LEU . 15805 1 98 . LYS . 15805 1 99 . LYS . 15805 1 100 . ARG . 15805 1 101 . GLY . 15805 1 102 . THR . 15805 1 103 . LYS . 15805 1 104 . LEU . 15805 1 105 . GLU . 15805 1 106 . HIS . 15805 1 107 . HIS . 15805 1 108 . HIS . 15805 1 109 . HIS . 15805 1 110 . HIS . 15805 1 111 . HIS . 15805 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 15805 1 . ASN 2 2 15805 1 . SER 3 3 15805 1 . GLU 4 4 15805 1 . VAL 5 5 15805 1 . ILE 6 6 15805 1 . LYS 7 7 15805 1 . GLU 8 8 15805 1 . PHE 9 9 15805 1 . LEU 10 10 15805 1 . GLU 11 11 15805 1 . ASP 12 12 15805 1 . ILE 13 13 15805 1 . GLY 14 14 15805 1 . GLU 15 15 15805 1 . ASP 16 16 15805 1 . TYR 17 17 15805 1 . ILE 18 18 15805 1 . GLU 19 19 15805 1 . LEU 20 20 15805 1 . GLU 21 21 15805 1 . ASN 22 22 15805 1 . GLU 23 23 15805 1 . ILE 24 24 15805 1 . HIS 25 25 15805 1 . LEU 26 26 15805 1 . LYS 27 27 15805 1 . PRO 28 28 15805 1 . GLU 29 29 15805 1 . VAL 30 30 15805 1 . PHE 31 31 15805 1 . TYR 32 32 15805 1 . GLU 33 33 15805 1 . VAL 34 34 15805 1 . TRP 35 35 15805 1 . LYS 36 36 15805 1 . TYR 37 37 15805 1 . VAL 38 38 15805 1 . GLY 39 39 15805 1 . GLU 40 40 15805 1 . PRO 41 41 15805 1 . GLU 42 42 15805 1 . LEU 43 43 15805 1 . LYS 44 44 15805 1 . THR 45 45 15805 1 . TYR 46 46 15805 1 . VAL 47 47 15805 1 . ILE 48 48 15805 1 . GLU 49 49 15805 1 . ASP 50 50 15805 1 . GLU 51 51 15805 1 . ILE 52 52 15805 1 . VAL 53 53 15805 1 . GLU 54 54 15805 1 . PRO 55 55 15805 1 . GLY 56 56 15805 1 . GLU 57 57 15805 1 . TYR 58 58 15805 1 . ASP 59 59 15805 1 . PRO 60 60 15805 1 . PRO 61 61 15805 1 . GLU 62 62 15805 1 . MET 63 63 15805 1 . LYS 64 64 15805 1 . TYR 65 65 15805 1 . THR 66 66 15805 1 . ASN 67 67 15805 1 . VAL 68 68 15805 1 . LYS 69 69 15805 1 . LYS 70 70 15805 1 . VAL 71 71 15805 1 . LYS 72 72 15805 1 . ILE 73 73 15805 1 . LYS 74 74 15805 1 . LYS 75 75 15805 1 . VAL 76 76 15805 1 . TYR 77 77 15805 1 . PHE 78 78 15805 1 . GLU 79 79 15805 1 . THR 80 80 15805 1 . LEU 81 81 15805 1 . ASP 82 82 15805 1 . ASN 83 83 15805 1 . VAL 84 84 15805 1 . ARG 85 85 15805 1 . VAL 86 86 15805 1 . VAL 87 87 15805 1 . THR 88 88 15805 1 . ASP 89 89 15805 1 . TYR 90 90 15805 1 . SER 91 91 15805 1 . GLU 92 92 15805 1 . PHE 93 93 15805 1 . GLN 94 94 15805 1 . LYS 95 95 15805 1 . ILE 96 96 15805 1 . LEU 97 97 15805 1 . LYS 98 98 15805 1 . LYS 99 99 15805 1 . ARG 100 100 15805 1 . GLY 101 101 15805 1 . THR 102 102 15805 1 . LYS 103 103 15805 1 . LEU 104 104 15805 1 . GLU 105 105 15805 1 . HIS 106 106 15805 1 . HIS 107 107 15805 1 . HIS 108 108 15805 1 . HIS 109 109 15805 1 . HIS 110 110 15805 1 . HIS 111 111 15805 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 15805 _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 $PA0426 . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . PA0246 . . . . 15805 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 15805 _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 $PA0426 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+Magic . . . . . . . . . . . . . . . pET21 . . . . . . 15805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15805 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PA0426 '[U-100% 13C; U-100% 15N]' . . 1 $PA0426 . . 1 . . mM 0.1 . . . 15805 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15805 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15805 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15805 1 5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15805 1 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15805 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15805 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15805 _Sample.ID 2 _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 PA0426 '[U-100% 13C; U-100% 15N]' . . 1 $PA0426 . . 1 . . mM 0.1 . . . 15805 2 2 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15805 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15805 2 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15805 2 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15805 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15805 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15805 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 15805 1 pH 6.5 0.1 pH 15805 1 pressure 1 . atm 15805 1 temperature 313 1 K 15805 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15805 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15805 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15805 1 processing 15805 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15805 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15805 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15805 2 'peak picking' 15805 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15805 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15805 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15805 3 'structure solution' 15805 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15805 _Software.ID 4 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15805 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15805 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15805 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15805 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15805 5 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 15805 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15805 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15805 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15805 1 2 spectrometer_2 Varian INOVA . 750 . . . 15805 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 15805 _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 . . . . . . . . . . . . . . . . . . . . . 15805 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 1 9 '4D 13C-13C HMQC NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15805 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 15805 _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 . . . . . . . . . 15805 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15805 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15805 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 15805 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15805 1 2 '2D 1H-13C HSQC' . . . 15805 1 3 '3D CBCA(CO)NH' . . . 15805 1 4 '3D HNCACB' . . . 15805 1 5 '3D HCCH-TOCSY' . . . 15805 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 15805 1 2 $SPARKY . . 15805 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 3.72 0.02 . 1 . . . . 1 MET HA . 15805 1 2 . 1 1 1 1 MET HB2 H 1 1.82 0.02 . 2 . . . . 1 MET HB2 . 15805 1 3 . 1 1 1 1 MET HB3 H 1 2.18 0.02 . 2 . . . . 1 MET HB3 . 15805 1 4 . 1 1 1 1 MET HE1 H 1 1.94 0.02 . 1 . . . . 1 MET HE . 15805 1 5 . 1 1 1 1 MET HE2 H 1 1.94 0.02 . 1 . . . . 1 MET HE . 15805 1 6 . 1 1 1 1 MET HE3 H 1 1.94 0.02 . 1 . . . . 1 MET HE . 15805 1 7 . 1 1 1 1 MET HG2 H 1 2.52 0.02 . 2 . . . . 1 MET HG2 . 15805 1 8 . 1 1 1 1 MET HG3 H 1 2.56 0.02 . 2 . . . . 1 MET HG3 . 15805 1 9 . 1 1 1 1 MET CA C 13 55.7 0.2 . 1 . . . . 1 MET CA . 15805 1 10 . 1 1 1 1 MET CB C 13 34.9 0.2 . 1 . . . . 1 MET CB . 15805 1 11 . 1 1 1 1 MET CE C 13 16.8 0.2 . 1 . . . . 1 MET CE . 15805 1 12 . 1 1 1 1 MET CG C 13 32.5 0.2 . 1 . . . . 1 MET CG . 15805 1 13 . 1 1 2 2 ASN HA H 1 4.98 0.02 . 1 . . . . 2 ASN HA . 15805 1 14 . 1 1 2 2 ASN HB2 H 1 2.89 0.02 . 2 . . . . 2 ASN HB2 . 15805 1 15 . 1 1 2 2 ASN HB3 H 1 2.91 0.02 . 2 . . . . 2 ASN HB3 . 15805 1 16 . 1 1 2 2 ASN HD21 H 1 6.86 0.02 . 2 . . . . 2 ASN HD21 . 15805 1 17 . 1 1 2 2 ASN HD22 H 1 7.56 0.02 . 2 . . . . 2 ASN HD22 . 15805 1 18 . 1 1 2 2 ASN C C 13 176.3 0.2 . 1 . . . . 2 ASN C . 15805 1 19 . 1 1 2 2 ASN CA C 13 52.5 0.2 . 1 . . . . 2 ASN CA . 15805 1 20 . 1 1 2 2 ASN CB C 13 40.9 0.2 . 1 . . . . 2 ASN CB . 15805 1 21 . 1 1 2 2 ASN ND2 N 15 112.3 0.2 . 1 . . . . 2 ASN ND2 . 15805 1 22 . 1 1 3 3 SER H H 1 9.94 0.02 . 1 . . . . 3 SER H . 15805 1 23 . 1 1 3 3 SER HA H 1 3.72 0.02 . 1 . . . . 3 SER HA . 15805 1 24 . 1 1 3 3 SER HB2 H 1 3.63 0.02 . 2 . . . . 3 SER HB2 . 15805 1 25 . 1 1 3 3 SER HB3 H 1 3.98 0.02 . 2 . . . . 3 SER HB3 . 15805 1 26 . 1 1 3 3 SER C C 13 175.9 0.2 . 1 . . . . 3 SER C . 15805 1 27 . 1 1 3 3 SER CA C 13 63.3 0.2 . 1 . . . . 3 SER CA . 15805 1 28 . 1 1 3 3 SER CB C 13 61.7 0.2 . 1 . . . . 3 SER CB . 15805 1 29 . 1 1 3 3 SER N N 15 118.2 0.2 . 1 . . . . 3 SER N . 15805 1 30 . 1 1 4 4 GLU H H 1 8.45 0.02 . 1 . . . . 4 GLU H . 15805 1 31 . 1 1 4 4 GLU HA H 1 4.01 0.02 . 1 . . . . 4 GLU HA . 15805 1 32 . 1 1 4 4 GLU HB2 H 1 2.04 0.02 . 2 . . . . 4 GLU HB2 . 15805 1 33 . 1 1 4 4 GLU HB3 H 1 2.08 0.02 . 2 . . . . 4 GLU HB3 . 15805 1 34 . 1 1 4 4 GLU HG2 H 1 2.25 0.02 . 2 . . . . 4 GLU HG2 . 15805 1 35 . 1 1 4 4 GLU HG3 H 1 2.30 0.02 . 2 . . . . 4 GLU HG3 . 15805 1 36 . 1 1 4 4 GLU C C 13 178.8 0.2 . 1 . . . . 4 GLU C . 15805 1 37 . 1 1 4 4 GLU CA C 13 60.3 0.2 . 1 . . . . 4 GLU CA . 15805 1 38 . 1 1 4 4 GLU CB C 13 29.1 0.2 . 1 . . . . 4 GLU CB . 15805 1 39 . 1 1 4 4 GLU CG C 13 36.0 0.2 . 1 . . . . 4 GLU CG . 15805 1 40 . 1 1 4 4 GLU N N 15 123.6 0.2 . 1 . . . . 4 GLU N . 15805 1 41 . 1 1 5 5 VAL H H 1 7.59 0.02 . 1 . . . . 5 VAL H . 15805 1 42 . 1 1 5 5 VAL HA H 1 3.85 0.02 . 1 . . . . 5 VAL HA . 15805 1 43 . 1 1 5 5 VAL HB H 1 2.26 0.02 . 1 . . . . 5 VAL HB . 15805 1 44 . 1 1 5 5 VAL HG11 H 1 1.06 0.02 . 1 . . . . 5 VAL HG1 . 15805 1 45 . 1 1 5 5 VAL HG12 H 1 1.06 0.02 . 1 . . . . 5 VAL HG1 . 15805 1 46 . 1 1 5 5 VAL HG13 H 1 1.06 0.02 . 1 . . . . 5 VAL HG1 . 15805 1 47 . 1 1 5 5 VAL HG21 H 1 1.14 0.02 . 1 . . . . 5 VAL HG2 . 15805 1 48 . 1 1 5 5 VAL HG22 H 1 1.14 0.02 . 1 . . . . 5 VAL HG2 . 15805 1 49 . 1 1 5 5 VAL HG23 H 1 1.14 0.02 . 1 . . . . 5 VAL HG2 . 15805 1 50 . 1 1 5 5 VAL C C 13 179.1 0.2 . 1 . . . . 5 VAL C . 15805 1 51 . 1 1 5 5 VAL CA C 13 65.8 0.2 . 1 . . . . 5 VAL CA . 15805 1 52 . 1 1 5 5 VAL CB C 13 32.3 0.2 . 1 . . . . 5 VAL CB . 15805 1 53 . 1 1 5 5 VAL CG1 C 13 21.5 0.2 . 1 . . . . 5 VAL CG1 . 15805 1 54 . 1 1 5 5 VAL CG2 C 13 22.8 0.2 . 1 . . . . 5 VAL CG2 . 15805 1 55 . 1 1 5 5 VAL N N 15 119.3 0.2 . 1 . . . . 5 VAL N . 15805 1 56 . 1 1 6 6 ILE H H 1 7.24 0.02 . 1 . . . . 6 ILE H . 15805 1 57 . 1 1 6 6 ILE HA H 1 3.58 0.02 . 1 . . . . 6 ILE HA . 15805 1 58 . 1 1 6 6 ILE HB H 1 1.94 0.02 . 1 . . . . 6 ILE HB . 15805 1 59 . 1 1 6 6 ILE HD11 H 1 0.82 0.02 . 1 . . . . 6 ILE HD1 . 15805 1 60 . 1 1 6 6 ILE HD12 H 1 0.82 0.02 . 1 . . . . 6 ILE HD1 . 15805 1 61 . 1 1 6 6 ILE HD13 H 1 0.82 0.02 . 1 . . . . 6 ILE HD1 . 15805 1 62 . 1 1 6 6 ILE HG12 H 1 1.11 0.02 . 2 . . . . 6 ILE HG12 . 15805 1 63 . 1 1 6 6 ILE HG13 H 1 1.55 0.02 . 2 . . . . 6 ILE HG13 . 15805 1 64 . 1 1 6 6 ILE HG21 H 1 0.74 0.02 . 1 . . . . 6 ILE HG2 . 15805 1 65 . 1 1 6 6 ILE HG22 H 1 0.74 0.02 . 1 . . . . 6 ILE HG2 . 15805 1 66 . 1 1 6 6 ILE HG23 H 1 0.74 0.02 . 1 . . . . 6 ILE HG2 . 15805 1 67 . 1 1 6 6 ILE C C 13 177.0 0.2 . 1 . . . . 6 ILE C . 15805 1 68 . 1 1 6 6 ILE CA C 13 65.3 0.2 . 1 . . . . 6 ILE CA . 15805 1 69 . 1 1 6 6 ILE CB C 13 37.9 0.2 . 1 . . . . 6 ILE CB . 15805 1 70 . 1 1 6 6 ILE CD1 C 13 14.4 0.2 . 1 . . . . 6 ILE CD1 . 15805 1 71 . 1 1 6 6 ILE CG1 C 13 29.7 0.2 . 1 . . . . 6 ILE CG1 . 15805 1 72 . 1 1 6 6 ILE CG2 C 13 17.1 0.2 . 1 . . . . 6 ILE CG2 . 15805 1 73 . 1 1 6 6 ILE N N 15 120.3 0.2 . 1 . . . . 6 ILE N . 15805 1 74 . 1 1 7 7 LYS H H 1 8.05 0.02 . 1 . . . . 7 LYS H . 15805 1 75 . 1 1 7 7 LYS HA H 1 3.57 0.02 . 1 . . . . 7 LYS HA . 15805 1 76 . 1 1 7 7 LYS HB2 H 1 1.74 0.02 . 2 . . . . 7 LYS HB2 . 15805 1 77 . 1 1 7 7 LYS HB3 H 1 1.83 0.02 . 2 . . . . 7 LYS HB3 . 15805 1 78 . 1 1 7 7 LYS HD2 H 1 1.57 0.02 . 2 . . . . 7 LYS HD2 . 15805 1 79 . 1 1 7 7 LYS HD3 H 1 1.64 0.02 . 2 . . . . 7 LYS HD3 . 15805 1 80 . 1 1 7 7 LYS HE2 H 1 2.68 0.02 . 2 . . . . 7 LYS HE2 . 15805 1 81 . 1 1 7 7 LYS HE3 H 1 2.73 0.02 . 2 . . . . 7 LYS HE3 . 15805 1 82 . 1 1 7 7 LYS HG2 H 1 0.81 0.02 . 2 . . . . 7 LYS HG2 . 15805 1 83 . 1 1 7 7 LYS HG3 H 1 1.33 0.02 . 2 . . . . 7 LYS HG3 . 15805 1 84 . 1 1 7 7 LYS C C 13 178.7 0.2 . 1 . . . . 7 LYS C . 15805 1 85 . 1 1 7 7 LYS CA C 13 61.3 0.2 . 1 . . . . 7 LYS CA . 15805 1 86 . 1 1 7 7 LYS CB C 13 32.2 0.2 . 1 . . . . 7 LYS CB . 15805 1 87 . 1 1 7 7 LYS CD C 13 29.8 0.2 . 1 . . . . 7 LYS CD . 15805 1 88 . 1 1 7 7 LYS CE C 13 42.1 0.2 . 1 . . . . 7 LYS CE . 15805 1 89 . 1 1 7 7 LYS CG C 13 26.8 0.2 . 1 . . . . 7 LYS CG . 15805 1 90 . 1 1 7 7 LYS N N 15 119.2 0.2 . 1 . . . . 7 LYS N . 15805 1 91 . 1 1 8 8 GLU H H 1 8.10 0.02 . 1 . . . . 8 GLU H . 15805 1 92 . 1 1 8 8 GLU HA H 1 4.00 0.02 . 1 . . . . 8 GLU HA . 15805 1 93 . 1 1 8 8 GLU HB2 H 1 2.09 0.02 . 2 . . . . 8 GLU HB2 . 15805 1 94 . 1 1 8 8 GLU HB3 H 1 2.13 0.02 . 2 . . . . 8 GLU HB3 . 15805 1 95 . 1 1 8 8 GLU HG2 H 1 2.28 0.02 . 2 . . . . 8 GLU HG2 . 15805 1 96 . 1 1 8 8 GLU HG3 H 1 2.48 0.02 . 2 . . . . 8 GLU HG3 . 15805 1 97 . 1 1 8 8 GLU C C 13 178.5 0.2 . 1 . . . . 8 GLU C . 15805 1 98 . 1 1 8 8 GLU CA C 13 59.7 0.2 . 1 . . . . 8 GLU CA . 15805 1 99 . 1 1 8 8 GLU CB C 13 29.6 0.2 . 1 . . . . 8 GLU CB . 15805 1 100 . 1 1 8 8 GLU CG C 13 36.3 0.2 . 1 . . . . 8 GLU CG . 15805 1 101 . 1 1 8 8 GLU N N 15 119.4 0.2 . 1 . . . . 8 GLU N . 15805 1 102 . 1 1 9 9 PHE H H 1 7.72 0.02 . 1 . . . . 9 PHE H . 15805 1 103 . 1 1 9 9 PHE HA H 1 4.16 0.02 . 1 . . . . 9 PHE HA . 15805 1 104 . 1 1 9 9 PHE HB2 H 1 2.95 0.02 . 2 . . . . 9 PHE HB2 . 15805 1 105 . 1 1 9 9 PHE HB3 H 1 3.04 0.02 . 2 . . . . 9 PHE HB3 . 15805 1 106 . 1 1 9 9 PHE HD1 H 1 6.50 0.02 . 3 . . . . 9 PHE HD1 . 15805 1 107 . 1 1 9 9 PHE HE1 H 1 6.70 0.02 . 3 . . . . 9 PHE HE1 . 15805 1 108 . 1 1 9 9 PHE HZ H 1 7.00 0.02 . 1 . . . . 9 PHE HZ . 15805 1 109 . 1 1 9 9 PHE C C 13 176.9 0.2 . 1 . . . . 9 PHE C . 15805 1 110 . 1 1 9 9 PHE CA C 13 61.3 0.2 . 1 . . . . 9 PHE CA . 15805 1 111 . 1 1 9 9 PHE CB C 13 39.4 0.2 . 1 . . . . 9 PHE CB . 15805 1 112 . 1 1 9 9 PHE CD1 C 13 131.2 0.2 . 3 . . . . 9 PHE CD1 . 15805 1 113 . 1 1 9 9 PHE CE1 C 13 130.4 0.2 . 3 . . . . 9 PHE CE1 . 15805 1 114 . 1 1 9 9 PHE CZ C 13 129.5 0.2 . 1 . . . . 9 PHE CZ . 15805 1 115 . 1 1 9 9 PHE N N 15 121.3 0.2 . 1 . . . . 9 PHE N . 15805 1 116 . 1 1 10 10 LEU H H 1 8.06 0.02 . 1 . . . . 10 LEU H . 15805 1 117 . 1 1 10 10 LEU HA H 1 3.66 0.02 . 1 . . . . 10 LEU HA . 15805 1 118 . 1 1 10 10 LEU HB2 H 1 1.44 0.02 . 2 . . . . 10 LEU HB2 . 15805 1 119 . 1 1 10 10 LEU HB3 H 1 1.83 0.02 . 2 . . . . 10 LEU HB3 . 15805 1 120 . 1 1 10 10 LEU HD11 H 1 0.45 0.02 . 1 . . . . 10 LEU HD1 . 15805 1 121 . 1 1 10 10 LEU HD12 H 1 0.45 0.02 . 1 . . . . 10 LEU HD1 . 15805 1 122 . 1 1 10 10 LEU HD13 H 1 0.45 0.02 . 1 . . . . 10 LEU HD1 . 15805 1 123 . 1 1 10 10 LEU HD21 H 1 0.70 0.02 . 1 . . . . 10 LEU HD2 . 15805 1 124 . 1 1 10 10 LEU HD22 H 1 0.70 0.02 . 1 . . . . 10 LEU HD2 . 15805 1 125 . 1 1 10 10 LEU HD23 H 1 0.70 0.02 . 1 . . . . 10 LEU HD2 . 15805 1 126 . 1 1 10 10 LEU HG H 1 1.82 0.02 . 1 . . . . 10 LEU HG . 15805 1 127 . 1 1 10 10 LEU C C 13 179.0 0.2 . 1 . . . . 10 LEU C . 15805 1 128 . 1 1 10 10 LEU CA C 13 58.0 0.2 . 1 . . . . 10 LEU CA . 15805 1 129 . 1 1 10 10 LEU CB C 13 41.4 0.2 . 1 . . . . 10 LEU CB . 15805 1 130 . 1 1 10 10 LEU CD1 C 13 27.1 0.2 . 1 . . . . 10 LEU CD1 . 15805 1 131 . 1 1 10 10 LEU CD2 C 13 24.2 0.2 . 1 . . . . 10 LEU CD2 . 15805 1 132 . 1 1 10 10 LEU CG C 13 27.3 0.2 . 1 . . . . 10 LEU CG . 15805 1 133 . 1 1 10 10 LEU N N 15 118.0 0.2 . 1 . . . . 10 LEU N . 15805 1 134 . 1 1 11 11 GLU H H 1 7.99 0.02 . 1 . . . . 11 GLU H . 15805 1 135 . 1 1 11 11 GLU HA H 1 4.11 0.02 . 1 . . . . 11 GLU HA . 15805 1 136 . 1 1 11 11 GLU HB2 H 1 2.10 0.02 . 2 . . . . 11 GLU HB2 . 15805 1 137 . 1 1 11 11 GLU HB3 H 1 2.13 0.02 . 2 . . . . 11 GLU HB3 . 15805 1 138 . 1 1 11 11 GLU HG2 H 1 2.38 0.02 . 2 . . . . 11 GLU HG2 . 15805 1 139 . 1 1 11 11 GLU HG3 H 1 2.49 0.02 . 2 . . . . 11 GLU HG3 . 15805 1 140 . 1 1 11 11 GLU C C 13 174.2 0.2 . 1 . . . . 11 GLU C . 15805 1 141 . 1 1 11 11 GLU CA C 13 59.2 0.2 . 1 . . . . 11 GLU CA . 15805 1 142 . 1 1 11 11 GLU CB C 13 29.3 0.2 . 1 . . . . 11 GLU CB . 15805 1 143 . 1 1 11 11 GLU CG C 13 36.4 0.2 . 1 . . . . 11 GLU CG . 15805 1 144 . 1 1 11 11 GLU N N 15 118.3 0.2 . 1 . . . . 11 GLU N . 15805 1 145 . 1 1 12 12 ASP H H 1 8.08 0.02 . 1 . . . . 12 ASP H . 15805 1 146 . 1 1 12 12 ASP HA H 1 4.34 0.02 . 1 . . . . 12 ASP HA . 15805 1 147 . 1 1 12 12 ASP HB2 H 1 2.54 0.02 . 2 . . . . 12 ASP HB2 . 15805 1 148 . 1 1 12 12 ASP HB3 H 1 2.82 0.02 . 2 . . . . 12 ASP HB3 . 15805 1 149 . 1 1 12 12 ASP C C 13 178.9 0.2 . 1 . . . . 12 ASP C . 15805 1 150 . 1 1 12 12 ASP CA C 13 57.6 0.2 . 1 . . . . 12 ASP CA . 15805 1 151 . 1 1 12 12 ASP CB C 13 41.0 0.2 . 1 . . . . 12 ASP CB . 15805 1 152 . 1 1 12 12 ASP N N 15 121.8 0.2 . 1 . . . . 12 ASP N . 15805 1 153 . 1 1 13 13 ILE H H 1 7.61 0.02 . 1 . . . . 13 ILE H . 15805 1 154 . 1 1 13 13 ILE HA H 1 4.24 0.02 . 1 . . . . 13 ILE HA . 15805 1 155 . 1 1 13 13 ILE HB H 1 1.92 0.02 . 1 . . . . 13 ILE HB . 15805 1 156 . 1 1 13 13 ILE HD11 H 1 0.55 0.02 . 1 . . . . 13 ILE HD1 . 15805 1 157 . 1 1 13 13 ILE HD12 H 1 0.55 0.02 . 1 . . . . 13 ILE HD1 . 15805 1 158 . 1 1 13 13 ILE HD13 H 1 0.55 0.02 . 1 . . . . 13 ILE HD1 . 15805 1 159 . 1 1 13 13 ILE HG12 H 1 0.96 0.02 . 2 . . . . 13 ILE HG12 . 15805 1 160 . 1 1 13 13 ILE HG13 H 1 1.06 0.02 . 2 . . . . 13 ILE HG13 . 15805 1 161 . 1 1 13 13 ILE HG21 H 1 0.33 0.02 . 1 . . . . 13 ILE HG2 . 15805 1 162 . 1 1 13 13 ILE HG22 H 1 0.33 0.02 . 1 . . . . 13 ILE HG2 . 15805 1 163 . 1 1 13 13 ILE HG23 H 1 0.33 0.02 . 1 . . . . 13 ILE HG2 . 15805 1 164 . 1 1 13 13 ILE C C 13 176.8 0.2 . 1 . . . . 13 ILE C . 15805 1 165 . 1 1 13 13 ILE CA C 13 62.1 0.2 . 1 . . . . 13 ILE CA . 15805 1 166 . 1 1 13 13 ILE CB C 13 38.3 0.2 . 1 . . . . 13 ILE CB . 15805 1 167 . 1 1 13 13 ILE CD1 C 13 14.4 0.2 . 1 . . . . 13 ILE CD1 . 15805 1 168 . 1 1 13 13 ILE CG1 C 13 26.0 0.2 . 1 . . . . 13 ILE CG1 . 15805 1 169 . 1 1 13 13 ILE CG2 C 13 17.3 0.2 . 1 . . . . 13 ILE CG2 . 15805 1 170 . 1 1 13 13 ILE N N 15 110.8 0.2 . 1 . . . . 13 ILE N . 15805 1 171 . 1 1 14 14 GLY H H 1 7.64 0.02 . 1 . . . . 14 GLY H . 15805 1 172 . 1 1 14 14 GLY HA2 H 1 3.81 0.02 . 2 . . . . 14 GLY HA2 . 15805 1 173 . 1 1 14 14 GLY HA3 H 1 3.88 0.02 . 2 . . . . 14 GLY HA3 . 15805 1 174 . 1 1 14 14 GLY C C 13 175.2 0.2 . 1 . . . . 14 GLY C . 15805 1 175 . 1 1 14 14 GLY CA C 13 46.9 0.2 . 1 . . . . 14 GLY CA . 15805 1 176 . 1 1 14 14 GLY N N 15 111.8 0.2 . 1 . . . . 14 GLY N . 15805 1 177 . 1 1 15 15 GLU H H 1 7.87 0.02 . 1 . . . . 15 GLU H . 15805 1 178 . 1 1 15 15 GLU HA H 1 4.68 0.02 . 1 . . . . 15 GLU HA . 15805 1 179 . 1 1 15 15 GLU HB2 H 1 1.46 0.02 . 2 . . . . 15 GLU HB2 . 15805 1 180 . 1 1 15 15 GLU HB3 H 1 2.15 0.02 . 2 . . . . 15 GLU HB3 . 15805 1 181 . 1 1 15 15 GLU HG2 H 1 2.11 0.02 . 2 . . . . 15 GLU HG2 . 15805 1 182 . 1 1 15 15 GLU HG3 H 1 2.24 0.02 . 2 . . . . 15 GLU HG3 . 15805 1 183 . 1 1 15 15 GLU C C 13 175.1 0.2 . 1 . . . . 15 GLU C . 15805 1 184 . 1 1 15 15 GLU CA C 13 54.8 0.2 . 1 . . . . 15 GLU CA . 15805 1 185 . 1 1 15 15 GLU CB C 13 32.2 0.2 . 1 . . . . 15 GLU CB . 15805 1 186 . 1 1 15 15 GLU CG C 13 34.9 0.2 . 1 . . . . 15 GLU CG . 15805 1 187 . 1 1 15 15 GLU N N 15 119.2 0.2 . 1 . . . . 15 GLU N . 15805 1 188 . 1 1 16 16 ASP H H 1 8.22 0.02 . 1 . . . . 16 ASP H . 15805 1 189 . 1 1 16 16 ASP HA H 1 4.68 0.02 . 1 . . . . 16 ASP HA . 15805 1 190 . 1 1 16 16 ASP HB2 H 1 2.57 0.02 . 2 . . . . 16 ASP HB2 . 15805 1 191 . 1 1 16 16 ASP HB3 H 1 2.63 0.02 . 2 . . . . 16 ASP HB3 . 15805 1 192 . 1 1 16 16 ASP C C 13 174.6 0.2 . 1 . . . . 16 ASP C . 15805 1 193 . 1 1 16 16 ASP CA C 13 53.6 0.2 . 1 . . . . 16 ASP CA . 15805 1 194 . 1 1 16 16 ASP CB C 13 42.9 0.2 . 1 . . . . 16 ASP CB . 15805 1 195 . 1 1 16 16 ASP N N 15 120.6 0.2 . 1 . . . . 16 ASP N . 15805 1 196 . 1 1 17 17 TYR H H 1 7.54 0.02 . 1 . . . . 17 TYR H . 15805 1 197 . 1 1 17 17 TYR HA H 1 4.91 0.02 . 1 . . . . 17 TYR HA . 15805 1 198 . 1 1 17 17 TYR HB2 H 1 2.66 0.02 . 2 . . . . 17 TYR HB2 . 15805 1 199 . 1 1 17 17 TYR HB3 H 1 3.02 0.02 . 2 . . . . 17 TYR HB3 . 15805 1 200 . 1 1 17 17 TYR HD1 H 1 6.77 0.02 . 3 . . . . 17 TYR HD1 . 15805 1 201 . 1 1 17 17 TYR HE1 H 1 6.79 0.02 . 3 . . . . 17 TYR HE1 . 15805 1 202 . 1 1 17 17 TYR C C 13 173.6 0.2 . 1 . . . . 17 TYR C . 15805 1 203 . 1 1 17 17 TYR CA C 13 56.2 0.2 . 1 . . . . 17 TYR CA . 15805 1 204 . 1 1 17 17 TYR CB C 13 41.1 0.2 . 1 . . . . 17 TYR CB . 15805 1 205 . 1 1 17 17 TYR CD1 C 13 134.2 0.2 . 3 . . . . 17 TYR CD1 . 15805 1 206 . 1 1 17 17 TYR CE1 C 13 117.7 0.2 . 3 . . . . 17 TYR CE1 . 15805 1 207 . 1 1 17 17 TYR N N 15 112.7 0.2 . 1 . . . . 17 TYR N . 15805 1 208 . 1 1 18 18 ILE H H 1 7.95 0.02 . 1 . . . . 18 ILE H . 15805 1 209 . 1 1 18 18 ILE HA H 1 4.33 0.02 . 1 . . . . 18 ILE HA . 15805 1 210 . 1 1 18 18 ILE HB H 1 1.79 0.02 . 1 . . . . 18 ILE HB . 15805 1 211 . 1 1 18 18 ILE HD11 H 1 0.78 0.02 . 1 . . . . 18 ILE HD1 . 15805 1 212 . 1 1 18 18 ILE HD12 H 1 0.78 0.02 . 1 . . . . 18 ILE HD1 . 15805 1 213 . 1 1 18 18 ILE HD13 H 1 0.78 0.02 . 1 . . . . 18 ILE HD1 . 15805 1 214 . 1 1 18 18 ILE HG12 H 1 1.08 0.02 . 2 . . . . 18 ILE HG12 . 15805 1 215 . 1 1 18 18 ILE HG13 H 1 1.50 0.02 . 2 . . . . 18 ILE HG13 . 15805 1 216 . 1 1 18 18 ILE HG21 H 1 0.79 0.02 . 1 . . . . 18 ILE HG2 . 15805 1 217 . 1 1 18 18 ILE HG22 H 1 0.79 0.02 . 1 . . . . 18 ILE HG2 . 15805 1 218 . 1 1 18 18 ILE HG23 H 1 0.79 0.02 . 1 . . . . 18 ILE HG2 . 15805 1 219 . 1 1 18 18 ILE C C 13 174.7 0.2 . 1 . . . . 18 ILE C . 15805 1 220 . 1 1 18 18 ILE CA C 13 60.3 0.2 . 1 . . . . 18 ILE CA . 15805 1 221 . 1 1 18 18 ILE CB C 13 41.0 0.2 . 1 . . . . 18 ILE CB . 15805 1 222 . 1 1 18 18 ILE CD1 C 13 13.3 0.2 . 1 . . . . 18 ILE CD1 . 15805 1 223 . 1 1 18 18 ILE CG1 C 13 27.7 0.2 . 1 . . . . 18 ILE CG1 . 15805 1 224 . 1 1 18 18 ILE CG2 C 13 17.2 0.2 . 1 . . . . 18 ILE CG2 . 15805 1 225 . 1 1 18 18 ILE N N 15 120.4 0.2 . 1 . . . . 18 ILE N . 15805 1 226 . 1 1 19 19 GLU H H 1 8.76 0.02 . 1 . . . . 19 GLU H . 15805 1 227 . 1 1 19 19 GLU HA H 1 5.20 0.02 . 1 . . . . 19 GLU HA . 15805 1 228 . 1 1 19 19 GLU HB2 H 1 1.89 0.02 . 2 . . . . 19 GLU HB2 . 15805 1 229 . 1 1 19 19 GLU HB3 H 1 2.16 0.02 . 2 . . . . 19 GLU HB3 . 15805 1 230 . 1 1 19 19 GLU HG2 H 1 2.19 0.02 . 2 . . . . 19 GLU HG2 . 15805 1 231 . 1 1 19 19 GLU HG3 H 1 2.25 0.02 . 2 . . . . 19 GLU HG3 . 15805 1 232 . 1 1 19 19 GLU C C 13 175.2 0.2 . 1 . . . . 19 GLU C . 15805 1 233 . 1 1 19 19 GLU CA C 13 55.5 0.2 . 1 . . . . 19 GLU CA . 15805 1 234 . 1 1 19 19 GLU CB C 13 32.4 0.2 . 1 . . . . 19 GLU CB . 15805 1 235 . 1 1 19 19 GLU CG C 13 36.8 0.2 . 1 . . . . 19 GLU CG . 15805 1 236 . 1 1 19 19 GLU N N 15 129.0 0.2 . 1 . . . . 19 GLU N . 15805 1 237 . 1 1 20 20 LEU H H 1 8.73 0.02 . 1 . . . . 20 LEU H . 15805 1 238 . 1 1 20 20 LEU HA H 1 4.62 0.02 . 1 . . . . 20 LEU HA . 15805 1 239 . 1 1 20 20 LEU HB2 H 1 1.42 0.02 . 2 . . . . 20 LEU HB2 . 15805 1 240 . 1 1 20 20 LEU HB3 H 1 1.61 0.02 . 2 . . . . 20 LEU HB3 . 15805 1 241 . 1 1 20 20 LEU HD11 H 1 0.64 0.02 . 1 . . . . 20 LEU HD1 . 15805 1 242 . 1 1 20 20 LEU HD12 H 1 0.64 0.02 . 1 . . . . 20 LEU HD1 . 15805 1 243 . 1 1 20 20 LEU HD13 H 1 0.64 0.02 . 1 . . . . 20 LEU HD1 . 15805 1 244 . 1 1 20 20 LEU HD21 H 1 0.75 0.02 . 1 . . . . 20 LEU HD2 . 15805 1 245 . 1 1 20 20 LEU HD22 H 1 0.75 0.02 . 1 . . . . 20 LEU HD2 . 15805 1 246 . 1 1 20 20 LEU HD23 H 1 0.75 0.02 . 1 . . . . 20 LEU HD2 . 15805 1 247 . 1 1 20 20 LEU HG H 1 1.36 0.02 . 1 . . . . 20 LEU HG . 15805 1 248 . 1 1 20 20 LEU C C 13 176.2 0.2 . 1 . . . . 20 LEU C . 15805 1 249 . 1 1 20 20 LEU CA C 13 54.1 0.2 . 1 . . . . 20 LEU CA . 15805 1 250 . 1 1 20 20 LEU CB C 13 44.4 0.2 . 1 . . . . 20 LEU CB . 15805 1 251 . 1 1 20 20 LEU CD1 C 13 25.0 0.2 . 1 . . . . 20 LEU CD1 . 15805 1 252 . 1 1 20 20 LEU CD2 C 13 24.1 0.2 . 1 . . . . 20 LEU CD2 . 15805 1 253 . 1 1 20 20 LEU CG C 13 27.7 0.2 . 1 . . . . 20 LEU CG . 15805 1 254 . 1 1 20 20 LEU N N 15 128.4 0.2 . 1 . . . . 20 LEU N . 15805 1 255 . 1 1 21 21 GLU H H 1 8.70 0.02 . 1 . . . . 21 GLU H . 15805 1 256 . 1 1 21 21 GLU HA H 1 3.87 0.02 . 1 . . . . 21 GLU HA . 15805 1 257 . 1 1 21 21 GLU HB2 H 1 1.98 0.02 . 2 . . . . 21 GLU HB2 . 15805 1 258 . 1 1 21 21 GLU HB3 H 1 2.01 0.02 . 2 . . . . 21 GLU HB3 . 15805 1 259 . 1 1 21 21 GLU HG2 H 1 2.18 0.02 . 2 . . . . 21 GLU HG2 . 15805 1 260 . 1 1 21 21 GLU HG3 H 1 2.22 0.02 . 2 . . . . 21 GLU HG3 . 15805 1 261 . 1 1 21 21 GLU C C 13 176.1 0.2 . 1 . . . . 21 GLU C . 15805 1 262 . 1 1 21 21 GLU CA C 13 58.8 0.2 . 1 . . . . 21 GLU CA . 15805 1 263 . 1 1 21 21 GLU CB C 13 28.2 0.2 . 1 . . . . 21 GLU CB . 15805 1 264 . 1 1 21 21 GLU CG C 13 36.2 0.2 . 1 . . . . 21 GLU CG . 15805 1 265 . 1 1 21 21 GLU N N 15 122.6 0.2 . 1 . . . . 21 GLU N . 15805 1 266 . 1 1 22 22 ASN H H 1 8.64 0.02 . 1 . . . . 22 ASN H . 15805 1 267 . 1 1 22 22 ASN HA H 1 4.54 0.02 . 1 . . . . 22 ASN HA . 15805 1 268 . 1 1 22 22 ASN HB2 H 1 2.99 0.02 . 2 . . . . 22 ASN HB2 . 15805 1 269 . 1 1 22 22 ASN HB3 H 1 3.06 0.02 . 2 . . . . 22 ASN HB3 . 15805 1 270 . 1 1 22 22 ASN HD21 H 1 6.77 0.02 . 2 . . . . 22 ASN HD21 . 15805 1 271 . 1 1 22 22 ASN HD22 H 1 7.42 0.02 . 2 . . . . 22 ASN HD22 . 15805 1 272 . 1 1 22 22 ASN C C 13 173.8 0.2 . 1 . . . . 22 ASN C . 15805 1 273 . 1 1 22 22 ASN CA C 13 54.6 0.2 . 1 . . . . 22 ASN CA . 15805 1 274 . 1 1 22 22 ASN CB C 13 38.4 0.2 . 1 . . . . 22 ASN CB . 15805 1 275 . 1 1 22 22 ASN N N 15 118.0 0.2 . 1 . . . . 22 ASN N . 15805 1 276 . 1 1 22 22 ASN ND2 N 15 112.8 0.2 . 1 . . . . 22 ASN ND2 . 15805 1 277 . 1 1 23 23 GLU H H 1 7.74 0.02 . 1 . . . . 23 GLU H . 15805 1 278 . 1 1 23 23 GLU HA H 1 5.43 0.02 . 1 . . . . 23 GLU HA . 15805 1 279 . 1 1 23 23 GLU HB2 H 1 1.73 0.02 . 2 . . . . 23 GLU HB2 . 15805 1 280 . 1 1 23 23 GLU HB3 H 1 1.99 0.02 . 2 . . . . 23 GLU HB3 . 15805 1 281 . 1 1 23 23 GLU HG2 H 1 1.97 0.02 . 2 . . . . 23 GLU HG2 . 15805 1 282 . 1 1 23 23 GLU HG3 H 1 2.37 0.02 . 2 . . . . 23 GLU HG3 . 15805 1 283 . 1 1 23 23 GLU C C 13 175.4 0.2 . 1 . . . . 23 GLU C . 15805 1 284 . 1 1 23 23 GLU CA C 13 54.9 0.2 . 1 . . . . 23 GLU CA . 15805 1 285 . 1 1 23 23 GLU CB C 13 34.5 0.2 . 1 . . . . 23 GLU CB . 15805 1 286 . 1 1 23 23 GLU CG C 13 36.4 0.2 . 1 . . . . 23 GLU CG . 15805 1 287 . 1 1 23 23 GLU N N 15 116.4 0.2 . 1 . . . . 23 GLU N . 15805 1 288 . 1 1 24 24 ILE H H 1 9.05 0.02 . 1 . . . . 24 ILE H . 15805 1 289 . 1 1 24 24 ILE HA H 1 4.81 0.02 . 1 . . . . 24 ILE HA . 15805 1 290 . 1 1 24 24 ILE HB H 1 1.51 0.02 . 1 . . . . 24 ILE HB . 15805 1 291 . 1 1 24 24 ILE HD11 H 1 0.52 0.02 . 1 . . . . 24 ILE HD1 . 15805 1 292 . 1 1 24 24 ILE HD12 H 1 0.52 0.02 . 1 . . . . 24 ILE HD1 . 15805 1 293 . 1 1 24 24 ILE HD13 H 1 0.52 0.02 . 1 . . . . 24 ILE HD1 . 15805 1 294 . 1 1 24 24 ILE HG12 H 1 0.79 0.02 . 2 . . . . 24 ILE HG12 . 15805 1 295 . 1 1 24 24 ILE HG13 H 1 1.52 0.02 . 2 . . . . 24 ILE HG13 . 15805 1 296 . 1 1 24 24 ILE HG21 H 1 0.66 0.02 . 1 . . . . 24 ILE HG2 . 15805 1 297 . 1 1 24 24 ILE HG22 H 1 0.66 0.02 . 1 . . . . 24 ILE HG2 . 15805 1 298 . 1 1 24 24 ILE HG23 H 1 0.66 0.02 . 1 . . . . 24 ILE HG2 . 15805 1 299 . 1 1 24 24 ILE C C 13 174.6 0.2 . 1 . . . . 24 ILE C . 15805 1 300 . 1 1 24 24 ILE CA C 13 60.7 0.2 . 1 . . . . 24 ILE CA . 15805 1 301 . 1 1 24 24 ILE CB C 13 41.3 0.2 . 1 . . . . 24 ILE CB . 15805 1 302 . 1 1 24 24 ILE CD1 C 13 13.3 0.2 . 1 . . . . 24 ILE CD1 . 15805 1 303 . 1 1 24 24 ILE CG1 C 13 27.6 0.2 . 1 . . . . 24 ILE CG1 . 15805 1 304 . 1 1 24 24 ILE CG2 C 13 17.5 0.2 . 1 . . . . 24 ILE CG2 . 15805 1 305 . 1 1 24 24 ILE N N 15 122.8 0.2 . 1 . . . . 24 ILE N . 15805 1 306 . 1 1 25 25 HIS H H 1 9.49 0.02 . 1 . . . . 25 HIS H . 15805 1 307 . 1 1 25 25 HIS HA H 1 5.09 0.02 . 1 . . . . 25 HIS HA . 15805 1 308 . 1 1 25 25 HIS HB2 H 1 2.88 0.02 . 2 . . . . 25 HIS HB2 . 15805 1 309 . 1 1 25 25 HIS HB3 H 1 3.01 0.02 . 2 . . . . 25 HIS HB3 . 15805 1 310 . 1 1 25 25 HIS HD2 H 1 6.61 0.02 . 1 . . . . 25 HIS HD2 . 15805 1 311 . 1 1 25 25 HIS HE1 H 1 7.51 0.02 . 1 . . . . 25 HIS HE1 . 15805 1 312 . 1 1 25 25 HIS C C 13 176.1 0.2 . 1 . . . . 25 HIS C . 15805 1 313 . 1 1 25 25 HIS CA C 13 56.1 0.2 . 1 . . . . 25 HIS CA . 15805 1 314 . 1 1 25 25 HIS CB C 13 33.1 0.2 . 1 . . . . 25 HIS CB . 15805 1 315 . 1 1 25 25 HIS CD2 C 13 115.8 0.2 . 1 . . . . 25 HIS CD2 . 15805 1 316 . 1 1 25 25 HIS CE1 C 13 137.7 0.2 . 1 . . . . 25 HIS CE1 . 15805 1 317 . 1 1 25 25 HIS N N 15 127.3 0.2 . 1 . . . . 25 HIS N . 15805 1 318 . 1 1 26 26 LEU H H 1 8.82 0.02 . 1 . . . . 26 LEU H . 15805 1 319 . 1 1 26 26 LEU HA H 1 5.16 0.02 . 1 . . . . 26 LEU HA . 15805 1 320 . 1 1 26 26 LEU HB2 H 1 1.68 0.02 . 2 . . . . 26 LEU HB2 . 15805 1 321 . 1 1 26 26 LEU HB3 H 1 1.74 0.02 . 2 . . . . 26 LEU HB3 . 15805 1 322 . 1 1 26 26 LEU HD11 H 1 0.81 0.02 . 1 . . . . 26 LEU HD1 . 15805 1 323 . 1 1 26 26 LEU HD12 H 1 0.81 0.02 . 1 . . . . 26 LEU HD1 . 15805 1 324 . 1 1 26 26 LEU HD13 H 1 0.81 0.02 . 1 . . . . 26 LEU HD1 . 15805 1 325 . 1 1 26 26 LEU HD21 H 1 1.05 0.02 . 1 . . . . 26 LEU HD2 . 15805 1 326 . 1 1 26 26 LEU HD22 H 1 1.05 0.02 . 1 . . . . 26 LEU HD2 . 15805 1 327 . 1 1 26 26 LEU HD23 H 1 1.05 0.02 . 1 . . . . 26 LEU HD2 . 15805 1 328 . 1 1 26 26 LEU HG H 1 1.70 0.02 . 1 . . . . 26 LEU HG . 15805 1 329 . 1 1 26 26 LEU C C 13 178.0 0.2 . 1 . . . . 26 LEU C . 15805 1 330 . 1 1 26 26 LEU CA C 13 52.9 0.2 . 1 . . . . 26 LEU CA . 15805 1 331 . 1 1 26 26 LEU CB C 13 48.1 0.2 . 1 . . . . 26 LEU CB . 15805 1 332 . 1 1 26 26 LEU CD1 C 13 27.6 0.2 . 1 . . . . 26 LEU CD1 . 15805 1 333 . 1 1 26 26 LEU CD2 C 13 25.3 0.2 . 1 . . . . 26 LEU CD2 . 15805 1 334 . 1 1 26 26 LEU CG C 13 26.8 0.2 . 1 . . . . 26 LEU CG . 15805 1 335 . 1 1 26 26 LEU N N 15 121.6 0.2 . 1 . . . . 26 LEU N . 15805 1 336 . 1 1 27 27 LYS H H 1 8.99 0.02 . 1 . . . . 27 LYS H . 15805 1 337 . 1 1 27 27 LYS HA H 1 4.63 0.02 . 1 . . . . 27 LYS HA . 15805 1 338 . 1 1 27 27 LYS HB2 H 1 1.74 0.02 . 2 . . . . 27 LYS HB2 . 15805 1 339 . 1 1 27 27 LYS HB3 H 1 2.21 0.02 . 2 . . . . 27 LYS HB3 . 15805 1 340 . 1 1 27 27 LYS HD2 H 1 1.82 0.02 . 2 . . . . 27 LYS HD2 . 15805 1 341 . 1 1 27 27 LYS HD3 H 1 1.87 0.02 . 2 . . . . 27 LYS HD3 . 15805 1 342 . 1 1 27 27 LYS HE2 H 1 3.07 0.02 . 2 . . . . 27 LYS HE2 . 15805 1 343 . 1 1 27 27 LYS HG2 H 1 1.69 0.02 . 2 . . . . 27 LYS HG2 . 15805 1 344 . 1 1 27 27 LYS HG3 H 1 1.73 0.02 . 2 . . . . 27 LYS HG3 . 15805 1 345 . 1 1 27 27 LYS CA C 13 55.7 0.2 . 1 . . . . 27 LYS CA . 15805 1 346 . 1 1 27 27 LYS CB C 13 31.9 0.2 . 1 . . . . 27 LYS CB . 15805 1 347 . 1 1 27 27 LYS CD C 13 29.5 0.2 . 1 . . . . 27 LYS CD . 15805 1 348 . 1 1 27 27 LYS CE C 13 42.3 0.2 . 1 . . . . 27 LYS CE . 15805 1 349 . 1 1 27 27 LYS CG C 13 25.8 0.2 . 1 . . . . 27 LYS CG . 15805 1 350 . 1 1 27 27 LYS N N 15 125.9 0.2 . 1 . . . . 27 LYS N . 15805 1 351 . 1 1 28 28 PRO HA H 1 4.50 0.02 . 1 . . . . 28 PRO HA . 15805 1 352 . 1 1 28 28 PRO HB2 H 1 2.01 0.02 . 2 . . . . 28 PRO HB2 . 15805 1 353 . 1 1 28 28 PRO HB3 H 1 2.07 0.02 . 2 . . . . 28 PRO HB3 . 15805 1 354 . 1 1 28 28 PRO HD2 H 1 3.89 0.02 . 2 . . . . 28 PRO HD2 . 15805 1 355 . 1 1 28 28 PRO HD3 H 1 3.98 0.02 . 2 . . . . 28 PRO HD3 . 15805 1 356 . 1 1 28 28 PRO HG2 H 1 2.22 0.02 . 2 . . . . 28 PRO HG2 . 15805 1 357 . 1 1 28 28 PRO HG3 H 1 2.28 0.02 . 2 . . . . 28 PRO HG3 . 15805 1 358 . 1 1 28 28 PRO C C 13 177.9 0.2 . 1 . . . . 28 PRO C . 15805 1 359 . 1 1 28 28 PRO CA C 13 67.4 0.2 . 1 . . . . 28 PRO CA . 15805 1 360 . 1 1 28 28 PRO CB C 13 32.1 0.2 . 1 . . . . 28 PRO CB . 15805 1 361 . 1 1 28 28 PRO CD C 13 50.5 0.2 . 1 . . . . 28 PRO CD . 15805 1 362 . 1 1 28 28 PRO CG C 13 28.4 0.2 . 1 . . . . 28 PRO CG . 15805 1 363 . 1 1 29 29 GLU H H 1 9.88 0.02 . 1 . . . . 29 GLU H . 15805 1 364 . 1 1 29 29 GLU HA H 1 4.14 0.02 . 1 . . . . 29 GLU HA . 15805 1 365 . 1 1 29 29 GLU HB2 H 1 2.07 0.02 . 2 . . . . 29 GLU HB2 . 15805 1 366 . 1 1 29 29 GLU HB3 H 1 2.12 0.02 . 2 . . . . 29 GLU HB3 . 15805 1 367 . 1 1 29 29 GLU HG2 H 1 2.36 0.02 . 2 . . . . 29 GLU HG2 . 15805 1 368 . 1 1 29 29 GLU HG3 H 1 2.41 0.02 . 2 . . . . 29 GLU HG3 . 15805 1 369 . 1 1 29 29 GLU C C 13 178.8 0.2 . 1 . . . . 29 GLU C . 15805 1 370 . 1 1 29 29 GLU CA C 13 60.6 0.2 . 1 . . . . 29 GLU CA . 15805 1 371 . 1 1 29 29 GLU CB C 13 29.2 0.2 . 1 . . . . 29 GLU CB . 15805 1 372 . 1 1 29 29 GLU CG C 13 36.9 0.2 . 1 . . . . 29 GLU CG . 15805 1 373 . 1 1 29 29 GLU N N 15 117.1 0.2 . 1 . . . . 29 GLU N . 15805 1 374 . 1 1 30 30 VAL H H 1 7.05 0.02 . 1 . . . . 30 VAL H . 15805 1 375 . 1 1 30 30 VAL HA H 1 3.85 0.02 . 1 . . . . 30 VAL HA . 15805 1 376 . 1 1 30 30 VAL HB H 1 2.26 0.02 . 1 . . . . 30 VAL HB . 15805 1 377 . 1 1 30 30 VAL HG11 H 1 1.06 0.02 . 1 . . . . 30 VAL HG1 . 15805 1 378 . 1 1 30 30 VAL HG12 H 1 1.06 0.02 . 1 . . . . 30 VAL HG1 . 15805 1 379 . 1 1 30 30 VAL HG13 H 1 1.06 0.02 . 1 . . . . 30 VAL HG1 . 15805 1 380 . 1 1 30 30 VAL HG21 H 1 1.08 0.02 . 1 . . . . 30 VAL HG2 . 15805 1 381 . 1 1 30 30 VAL HG22 H 1 1.08 0.02 . 1 . . . . 30 VAL HG2 . 15805 1 382 . 1 1 30 30 VAL HG23 H 1 1.08 0.02 . 1 . . . . 30 VAL HG2 . 15805 1 383 . 1 1 30 30 VAL C C 13 177.7 0.2 . 1 . . . . 30 VAL C . 15805 1 384 . 1 1 30 30 VAL CA C 13 65.6 0.2 . 1 . . . . 30 VAL CA . 15805 1 385 . 1 1 30 30 VAL CB C 13 32.1 0.2 . 1 . . . . 30 VAL CB . 15805 1 386 . 1 1 30 30 VAL CG1 C 13 23.3 0.2 . 1 . . . . 30 VAL CG1 . 15805 1 387 . 1 1 30 30 VAL CG2 C 13 23.1 0.2 . 1 . . . . 30 VAL CG2 . 15805 1 388 . 1 1 30 30 VAL N N 15 120.9 0.2 . 1 . . . . 30 VAL N . 15805 1 389 . 1 1 31 31 PHE H H 1 8.98 0.02 . 1 . . . . 31 PHE H . 15805 1 390 . 1 1 31 31 PHE HA H 1 3.87 0.02 . 1 . . . . 31 PHE HA . 15805 1 391 . 1 1 31 31 PHE HB2 H 1 2.68 0.02 . 2 . . . . 31 PHE HB2 . 15805 1 392 . 1 1 31 31 PHE HB3 H 1 3.46 0.02 . 2 . . . . 31 PHE HB3 . 15805 1 393 . 1 1 31 31 PHE HD1 H 1 6.63 0.02 . 3 . . . . 31 PHE HD1 . 15805 1 394 . 1 1 31 31 PHE C C 13 176.7 0.2 . 1 . . . . 31 PHE C . 15805 1 395 . 1 1 31 31 PHE CA C 13 62.2 0.2 . 1 . . . . 31 PHE CA . 15805 1 396 . 1 1 31 31 PHE CB C 13 39.3 0.2 . 1 . . . . 31 PHE CB . 15805 1 397 . 1 1 31 31 PHE CD1 C 13 131.9 0.2 . 3 . . . . 31 PHE CD1 . 15805 1 398 . 1 1 31 31 PHE N N 15 121.1 0.2 . 1 . . . . 31 PHE N . 15805 1 399 . 1 1 32 32 TYR H H 1 8.64 0.02 . 1 . . . . 32 TYR H . 15805 1 400 . 1 1 32 32 TYR HA H 1 3.88 0.02 . 1 . . . . 32 TYR HA . 15805 1 401 . 1 1 32 32 TYR HB2 H 1 3.37 0.02 . 2 . . . . 32 TYR HB2 . 15805 1 402 . 1 1 32 32 TYR HB3 H 1 3.46 0.02 . 2 . . . . 32 TYR HB3 . 15805 1 403 . 1 1 32 32 TYR HD1 H 1 7.17 0.02 . 3 . . . . 32 TYR HD1 . 15805 1 404 . 1 1 32 32 TYR HE1 H 1 6.84 0.02 . 3 . . . . 32 TYR HE1 . 15805 1 405 . 1 1 32 32 TYR C C 13 176.0 0.2 . 1 . . . . 32 TYR C . 15805 1 406 . 1 1 32 32 TYR CA C 13 63.3 0.2 . 1 . . . . 32 TYR CA . 15805 1 407 . 1 1 32 32 TYR CB C 13 39.1 0.2 . 1 . . . . 32 TYR CB . 15805 1 408 . 1 1 32 32 TYR CD1 C 13 133.4 0.2 . 3 . . . . 32 TYR CD1 . 15805 1 409 . 1 1 32 32 TYR CE1 C 13 118.1 0.2 . 3 . . . . 32 TYR CE1 . 15805 1 410 . 1 1 32 32 TYR N N 15 117.4 0.2 . 1 . . . . 32 TYR N . 15805 1 411 . 1 1 33 33 GLU H H 1 7.40 0.02 . 1 . . . . 33 GLU H . 15805 1 412 . 1 1 33 33 GLU HA H 1 4.05 0.02 . 1 . . . . 33 GLU HA . 15805 1 413 . 1 1 33 33 GLU HB2 H 1 2.35 0.02 . 2 . . . . 33 GLU HB2 . 15805 1 414 . 1 1 33 33 GLU HB3 H 1 2.39 0.02 . 2 . . . . 33 GLU HB3 . 15805 1 415 . 1 1 33 33 GLU HG2 H 1 2.65 0.02 . 2 . . . . 33 GLU HG2 . 15805 1 416 . 1 1 33 33 GLU HG3 H 1 2.73 0.02 . 2 . . . . 33 GLU HG3 . 15805 1 417 . 1 1 33 33 GLU C C 13 180.2 0.2 . 1 . . . . 33 GLU C . 15805 1 418 . 1 1 33 33 GLU CA C 13 59.5 0.2 . 1 . . . . 33 GLU CA . 15805 1 419 . 1 1 33 33 GLU CB C 13 29.3 0.2 . 1 . . . . 33 GLU CB . 15805 1 420 . 1 1 33 33 GLU CG C 13 35.5 0.2 . 1 . . . . 33 GLU CG . 15805 1 421 . 1 1 33 33 GLU N N 15 116.1 0.2 . 1 . . . . 33 GLU N . 15805 1 422 . 1 1 34 34 VAL H H 1 8.53 0.02 . 1 . . . . 34 VAL H . 15805 1 423 . 1 1 34 34 VAL HA H 1 3.35 0.02 . 1 . . . . 34 VAL HA . 15805 1 424 . 1 1 34 34 VAL HB H 1 2.00 0.02 . 1 . . . . 34 VAL HB . 15805 1 425 . 1 1 34 34 VAL HG11 H 1 0.96 0.02 . 1 . . . . 34 VAL HG1 . 15805 1 426 . 1 1 34 34 VAL HG12 H 1 0.96 0.02 . 1 . . . . 34 VAL HG1 . 15805 1 427 . 1 1 34 34 VAL HG13 H 1 0.96 0.02 . 1 . . . . 34 VAL HG1 . 15805 1 428 . 1 1 34 34 VAL HG21 H 1 1.08 0.02 . 1 . . . . 34 VAL HG2 . 15805 1 429 . 1 1 34 34 VAL HG22 H 1 1.08 0.02 . 1 . . . . 34 VAL HG2 . 15805 1 430 . 1 1 34 34 VAL HG23 H 1 1.08 0.02 . 1 . . . . 34 VAL HG2 . 15805 1 431 . 1 1 34 34 VAL C C 13 175.8 0.2 . 1 . . . . 34 VAL C . 15805 1 432 . 1 1 34 34 VAL CA C 13 66.4 0.2 . 1 . . . . 34 VAL CA . 15805 1 433 . 1 1 34 34 VAL CB C 13 32.2 0.2 . 1 . . . . 34 VAL CB . 15805 1 434 . 1 1 34 34 VAL CG1 C 13 23.1 0.2 . 1 . . . . 34 VAL CG1 . 15805 1 435 . 1 1 34 34 VAL CG2 C 13 24.4 0.2 . 1 . . . . 34 VAL CG2 . 15805 1 436 . 1 1 34 34 VAL N N 15 120.6 0.2 . 1 . . . . 34 VAL N . 15805 1 437 . 1 1 35 35 TRP H H 1 9.10 0.02 . 1 . . . . 35 TRP H . 15805 1 438 . 1 1 35 35 TRP HA H 1 3.34 0.02 . 1 . . . . 35 TRP HA . 15805 1 439 . 1 1 35 35 TRP HB2 H 1 2.44 0.02 . 2 . . . . 35 TRP HB2 . 15805 1 440 . 1 1 35 35 TRP HB3 H 1 3.33 0.02 . 2 . . . . 35 TRP HB3 . 15805 1 441 . 1 1 35 35 TRP HD1 H 1 6.14 0.02 . 1 . . . . 35 TRP HD1 . 15805 1 442 . 1 1 35 35 TRP HE1 H 1 10.59 0.02 . 1 . . . . 35 TRP HE1 . 15805 1 443 . 1 1 35 35 TRP HE3 H 1 7.38 0.02 . 1 . . . . 35 TRP HE3 . 15805 1 444 . 1 1 35 35 TRP HH2 H 1 7.10 0.02 . 1 . . . . 35 TRP HH2 . 15805 1 445 . 1 1 35 35 TRP HZ2 H 1 7.35 0.02 . 1 . . . . 35 TRP HZ2 . 15805 1 446 . 1 1 35 35 TRP HZ3 H 1 6.98 0.02 . 1 . . . . 35 TRP HZ3 . 15805 1 447 . 1 1 35 35 TRP C C 13 178.0 0.2 . 1 . . . . 35 TRP C . 15805 1 448 . 1 1 35 35 TRP CA C 13 61.8 0.2 . 1 . . . . 35 TRP CA . 15805 1 449 . 1 1 35 35 TRP CB C 13 27.9 0.2 . 1 . . . . 35 TRP CB . 15805 1 450 . 1 1 35 35 TRP CD1 C 13 124.5 0.2 . 1 . . . . 35 TRP CD1 . 15805 1 451 . 1 1 35 35 TRP CE3 C 13 119.6 0.2 . 1 . . . . 35 TRP CE3 . 15805 1 452 . 1 1 35 35 TRP CH2 C 13 125.2 0.2 . 1 . . . . 35 TRP CH2 . 15805 1 453 . 1 1 35 35 TRP CZ2 C 13 115.0 0.2 . 1 . . . . 35 TRP CZ2 . 15805 1 454 . 1 1 35 35 TRP CZ3 C 13 122.4 0.2 . 1 . . . . 35 TRP CZ3 . 15805 1 455 . 1 1 35 35 TRP N N 15 121.7 0.2 . 1 . . . . 35 TRP N . 15805 1 456 . 1 1 35 35 TRP NE1 N 15 130.4 0.2 . 1 . . . . 35 TRP NE1 . 15805 1 457 . 1 1 36 36 LYS H H 1 7.97 0.02 . 1 . . . . 36 LYS H . 15805 1 458 . 1 1 36 36 LYS HA H 1 3.33 0.02 . 1 . . . . 36 LYS HA . 15805 1 459 . 1 1 36 36 LYS HB2 H 1 1.52 0.02 . 2 . . . . 36 LYS HB2 . 15805 1 460 . 1 1 36 36 LYS HB3 H 1 1.66 0.02 . 2 . . . . 36 LYS HB3 . 15805 1 461 . 1 1 36 36 LYS HD2 H 1 1.33 0.02 . 2 . . . . 36 LYS HD2 . 15805 1 462 . 1 1 36 36 LYS HD3 H 1 1.39 0.02 . 2 . . . . 36 LYS HD3 . 15805 1 463 . 1 1 36 36 LYS HE2 H 1 2.60 0.02 . 2 . . . . 36 LYS HE2 . 15805 1 464 . 1 1 36 36 LYS HE3 H 1 2.85 0.02 . 2 . . . . 36 LYS HE3 . 15805 1 465 . 1 1 36 36 LYS HG2 H 1 1.15 0.02 . 2 . . . . 36 LYS HG2 . 15805 1 466 . 1 1 36 36 LYS HG3 H 1 1.17 0.02 . 2 . . . . 36 LYS HG3 . 15805 1 467 . 1 1 36 36 LYS C C 13 180.0 0.2 . 1 . . . . 36 LYS C . 15805 1 468 . 1 1 36 36 LYS CA C 13 59.0 0.2 . 1 . . . . 36 LYS CA . 15805 1 469 . 1 1 36 36 LYS CB C 13 31.8 0.2 . 1 . . . . 36 LYS CB . 15805 1 470 . 1 1 36 36 LYS CD C 13 28.6 0.2 . 1 . . . . 36 LYS CD . 15805 1 471 . 1 1 36 36 LYS CE C 13 41.9 0.2 . 1 . . . . 36 LYS CE . 15805 1 472 . 1 1 36 36 LYS CG C 13 24.5 0.2 . 1 . . . . 36 LYS CG . 15805 1 473 . 1 1 36 36 LYS N N 15 116.3 0.2 . 1 . . . . 36 LYS N . 15805 1 474 . 1 1 37 37 TYR H H 1 7.75 0.02 . 1 . . . . 37 TYR H . 15805 1 475 . 1 1 37 37 TYR HA H 1 3.94 0.02 . 1 . . . . 37 TYR HA . 15805 1 476 . 1 1 37 37 TYR HB2 H 1 2.54 0.02 . 2 . . . . 37 TYR HB2 . 15805 1 477 . 1 1 37 37 TYR HB3 H 1 2.68 0.02 . 2 . . . . 37 TYR HB3 . 15805 1 478 . 1 1 37 37 TYR HD1 H 1 6.49 0.02 . 3 . . . . 37 TYR HD1 . 15805 1 479 . 1 1 37 37 TYR HE1 H 1 6.52 0.02 . 3 . . . . 37 TYR HE1 . 15805 1 480 . 1 1 37 37 TYR C C 13 177.6 0.2 . 1 . . . . 37 TYR C . 15805 1 481 . 1 1 37 37 TYR CA C 13 61.2 0.2 . 1 . . . . 37 TYR CA . 15805 1 482 . 1 1 37 37 TYR CB C 13 38.8 0.2 . 1 . . . . 37 TYR CB . 15805 1 483 . 1 1 37 37 TYR CD1 C 13 133.0 0.2 . 3 . . . . 37 TYR CD1 . 15805 1 484 . 1 1 37 37 TYR CE1 C 13 117.8 0.2 . 3 . . . . 37 TYR CE1 . 15805 1 485 . 1 1 37 37 TYR N N 15 122.7 0.2 . 1 . . . . 37 TYR N . 15805 1 486 . 1 1 38 38 VAL H H 1 7.66 0.02 . 1 . . . . 38 VAL H . 15805 1 487 . 1 1 38 38 VAL HA H 1 3.87 0.02 . 1 . . . . 38 VAL HA . 15805 1 488 . 1 1 38 38 VAL HB H 1 2.18 0.02 . 1 . . . . 38 VAL HB . 15805 1 489 . 1 1 38 38 VAL HG11 H 1 0.73 0.02 . 1 . . . . 38 VAL HG1 . 15805 1 490 . 1 1 38 38 VAL HG12 H 1 0.73 0.02 . 1 . . . . 38 VAL HG1 . 15805 1 491 . 1 1 38 38 VAL HG13 H 1 0.73 0.02 . 1 . . . . 38 VAL HG1 . 15805 1 492 . 1 1 38 38 VAL HG21 H 1 0.47 0.02 . 1 . . . . 38 VAL HG2 . 15805 1 493 . 1 1 38 38 VAL HG22 H 1 0.47 0.02 . 1 . . . . 38 VAL HG2 . 15805 1 494 . 1 1 38 38 VAL HG23 H 1 0.47 0.02 . 1 . . . . 38 VAL HG2 . 15805 1 495 . 1 1 38 38 VAL C C 13 175.6 0.2 . 1 . . . . 38 VAL C . 15805 1 496 . 1 1 38 38 VAL CA C 13 61.1 0.2 . 1 . . . . 38 VAL CA . 15805 1 497 . 1 1 38 38 VAL CB C 13 30.7 0.2 . 1 . . . . 38 VAL CB . 15805 1 498 . 1 1 38 38 VAL CG1 C 13 21.8 0.2 . 1 . . . . 38 VAL CG1 . 15805 1 499 . 1 1 38 38 VAL CG2 C 13 19.3 0.2 . 1 . . . . 38 VAL CG2 . 15805 1 500 . 1 1 38 38 VAL N N 15 108.2 0.2 . 1 . . . . 38 VAL N . 15805 1 501 . 1 1 39 39 GLY H H 1 7.09 0.02 . 1 . . . . 39 GLY H . 15805 1 502 . 1 1 39 39 GLY HA2 H 1 3.32 0.02 . 2 . . . . 39 GLY HA2 . 15805 1 503 . 1 1 39 39 GLY HA3 H 1 3.73 0.02 . 2 . . . . 39 GLY HA3 . 15805 1 504 . 1 1 39 39 GLY C C 13 173.6 0.2 . 1 . . . . 39 GLY C . 15805 1 505 . 1 1 39 39 GLY CA C 13 46.1 0.2 . 1 . . . . 39 GLY CA . 15805 1 506 . 1 1 39 39 GLY N N 15 107.6 0.2 . 1 . . . . 39 GLY N . 15805 1 507 . 1 1 40 40 GLU H H 1 7.73 0.02 . 1 . . . . 40 GLU H . 15805 1 508 . 1 1 40 40 GLU HA H 1 1.09 0.02 . 1 . . . . 40 GLU HA . 15805 1 509 . 1 1 40 40 GLU HB2 H 1 1.08 0.02 . 2 . . . . 40 GLU HB2 . 15805 1 510 . 1 1 40 40 GLU HB3 H 1 1.57 0.02 . 2 . . . . 40 GLU HB3 . 15805 1 511 . 1 1 40 40 GLU HG2 H 1 -0.17 0.02 . 2 . . . . 40 GLU HG2 . 15805 1 512 . 1 1 40 40 GLU HG3 H 1 1.15 0.02 . 2 . . . . 40 GLU HG3 . 15805 1 513 . 1 1 40 40 GLU CA C 13 55.7 0.2 . 1 . . . . 40 GLU CA . 15805 1 514 . 1 1 40 40 GLU CB C 13 27.2 0.2 . 1 . . . . 40 GLU CB . 15805 1 515 . 1 1 40 40 GLU CG C 13 35.9 0.2 . 1 . . . . 40 GLU CG . 15805 1 516 . 1 1 40 40 GLU N N 15 114.4 0.2 . 1 . . . . 40 GLU N . 15805 1 517 . 1 1 41 41 PRO HA H 1 4.31 0.02 . 1 . . . . 41 PRO HA . 15805 1 518 . 1 1 41 41 PRO HB2 H 1 1.99 0.02 . 2 . . . . 41 PRO HB2 . 15805 1 519 . 1 1 41 41 PRO HB3 H 1 2.01 0.02 . 2 . . . . 41 PRO HB3 . 15805 1 520 . 1 1 41 41 PRO HD2 H 1 2.50 0.02 . 2 . . . . 41 PRO HD2 . 15805 1 521 . 1 1 41 41 PRO HD3 H 1 2.74 0.02 . 2 . . . . 41 PRO HD3 . 15805 1 522 . 1 1 41 41 PRO HG2 H 1 0.81 0.02 . 2 . . . . 41 PRO HG2 . 15805 1 523 . 1 1 41 41 PRO HG3 H 1 0.85 0.02 . 2 . . . . 41 PRO HG3 . 15805 1 524 . 1 1 41 41 PRO CA C 13 62.3 0.2 . 1 . . . . 41 PRO CA . 15805 1 525 . 1 1 41 41 PRO CB C 13 32.7 0.2 . 1 . . . . 41 PRO CB . 15805 1 526 . 1 1 41 41 PRO CD C 13 51.2 0.2 . 1 . . . . 41 PRO CD . 15805 1 527 . 1 1 41 41 PRO CG C 13 27.2 0.2 . 1 . . . . 41 PRO CG . 15805 1 528 . 1 1 42 42 GLU H H 1 8.11 0.02 . 1 . . . . 42 GLU H . 15805 1 529 . 1 1 42 42 GLU C C 13 175.8 0.2 . 1 . . . . 42 GLU C . 15805 1 530 . 1 1 42 42 GLU CA C 13 57.8 0.2 . 1 . . . . 42 GLU CA . 15805 1 531 . 1 1 42 42 GLU CB C 13 30.6 0.2 . 1 . . . . 42 GLU CB . 15805 1 532 . 1 1 42 42 GLU CG C 13 36.2 0.2 . 1 . . . . 42 GLU CG . 15805 1 533 . 1 1 42 42 GLU N N 15 119.1 0.2 . 1 . . . . 42 GLU N . 15805 1 534 . 1 1 43 43 LEU H H 1 8.14 0.02 . 1 . . . . 43 LEU H . 15805 1 535 . 1 1 43 43 LEU HA H 1 4.84 0.02 . 1 . . . . 43 LEU HA . 15805 1 536 . 1 1 43 43 LEU HB2 H 1 1.09 0.02 . 2 . . . . 43 LEU HB2 . 15805 1 537 . 1 1 43 43 LEU HB3 H 1 1.65 0.02 . 2 . . . . 43 LEU HB3 . 15805 1 538 . 1 1 43 43 LEU HD11 H 1 0.31 0.02 . 1 . . . . 43 LEU HD1 . 15805 1 539 . 1 1 43 43 LEU HD12 H 1 0.31 0.02 . 1 . . . . 43 LEU HD1 . 15805 1 540 . 1 1 43 43 LEU HD13 H 1 0.31 0.02 . 1 . . . . 43 LEU HD1 . 15805 1 541 . 1 1 43 43 LEU HD21 H 1 0.58 0.02 . 1 . . . . 43 LEU HD2 . 15805 1 542 . 1 1 43 43 LEU HD22 H 1 0.58 0.02 . 1 . . . . 43 LEU HD2 . 15805 1 543 . 1 1 43 43 LEU HD23 H 1 0.58 0.02 . 1 . . . . 43 LEU HD2 . 15805 1 544 . 1 1 43 43 LEU HG H 1 1.89 0.02 . 1 . . . . 43 LEU HG . 15805 1 545 . 1 1 43 43 LEU C C 13 177.3 0.2 . 1 . . . . 43 LEU C . 15805 1 546 . 1 1 43 43 LEU CA C 13 53.7 0.2 . 1 . . . . 43 LEU CA . 15805 1 547 . 1 1 43 43 LEU CB C 13 43.9 0.2 . 1 . . . . 43 LEU CB . 15805 1 548 . 1 1 43 43 LEU CD1 C 13 26.6 0.2 . 1 . . . . 43 LEU CD1 . 15805 1 549 . 1 1 43 43 LEU CD2 C 13 24.3 0.2 . 1 . . . . 43 LEU CD2 . 15805 1 550 . 1 1 43 43 LEU CG C 13 26.6 0.2 . 1 . . . . 43 LEU CG . 15805 1 551 . 1 1 43 43 LEU N N 15 124.7 0.2 . 1 . . . . 43 LEU N . 15805 1 552 . 1 1 44 44 LYS H H 1 8.64 0.02 . 1 . . . . 44 LYS H . 15805 1 553 . 1 1 44 44 LYS HA H 1 4.50 0.02 . 1 . . . . 44 LYS HA . 15805 1 554 . 1 1 44 44 LYS HB2 H 1 0.29 0.02 . 2 . . . . 44 LYS HB2 . 15805 1 555 . 1 1 44 44 LYS HB3 H 1 1.64 0.02 . 2 . . . . 44 LYS HB3 . 15805 1 556 . 1 1 44 44 LYS HD2 H 1 1.47 0.02 . 2 . . . . 44 LYS HD2 . 15805 1 557 . 1 1 44 44 LYS HD3 H 1 1.59 0.02 . 2 . . . . 44 LYS HD3 . 15805 1 558 . 1 1 44 44 LYS HE2 H 1 2.86 0.02 . 2 . . . . 44 LYS HE2 . 15805 1 559 . 1 1 44 44 LYS HE3 H 1 2.88 0.02 . 2 . . . . 44 LYS HE3 . 15805 1 560 . 1 1 44 44 LYS HG2 H 1 1.13 0.02 . 2 . . . . 44 LYS HG2 . 15805 1 561 . 1 1 44 44 LYS HG3 H 1 1.27 0.02 . 2 . . . . 44 LYS HG3 . 15805 1 562 . 1 1 44 44 LYS C C 13 174.5 0.2 . 1 . . . . 44 LYS C . 15805 1 563 . 1 1 44 44 LYS CA C 13 54.7 0.2 . 1 . . . . 44 LYS CA . 15805 1 564 . 1 1 44 44 LYS CB C 13 36.2 0.2 . 1 . . . . 44 LYS CB . 15805 1 565 . 1 1 44 44 LYS CD C 13 29.6 0.2 . 1 . . . . 44 LYS CD . 15805 1 566 . 1 1 44 44 LYS CE C 13 42.8 0.2 . 1 . . . . 44 LYS CE . 15805 1 567 . 1 1 44 44 LYS CG C 13 26.0 0.2 . 1 . . . . 44 LYS CG . 15805 1 568 . 1 1 44 44 LYS N N 15 123.3 0.2 . 1 . . . . 44 LYS N . 15805 1 569 . 1 1 45 45 THR H H 1 7.99 0.02 . 1 . . . . 45 THR H . 15805 1 570 . 1 1 45 45 THR HA H 1 5.70 0.02 . 1 . . . . 45 THR HA . 15805 1 571 . 1 1 45 45 THR HB H 1 3.90 0.02 . 1 . . . . 45 THR HB . 15805 1 572 . 1 1 45 45 THR HG21 H 1 0.83 0.02 . 1 . . . . 45 THR HG2 . 15805 1 573 . 1 1 45 45 THR HG22 H 1 0.83 0.02 . 1 . . . . 45 THR HG2 . 15805 1 574 . 1 1 45 45 THR HG23 H 1 0.83 0.02 . 1 . . . . 45 THR HG2 . 15805 1 575 . 1 1 45 45 THR C C 13 175.1 0.2 . 1 . . . . 45 THR C . 15805 1 576 . 1 1 45 45 THR CA C 13 59.6 0.2 . 1 . . . . 45 THR CA . 15805 1 577 . 1 1 45 45 THR CB C 13 73.4 0.2 . 1 . . . . 45 THR CB . 15805 1 578 . 1 1 45 45 THR CG2 C 13 21.6 0.2 . 1 . . . . 45 THR CG2 . 15805 1 579 . 1 1 45 45 THR N N 15 106.9 0.2 . 1 . . . . 45 THR N . 15805 1 580 . 1 1 46 46 TYR H H 1 8.47 0.02 . 1 . . . . 46 TYR H . 15805 1 581 . 1 1 46 46 TYR HA H 1 4.93 0.02 . 1 . . . . 46 TYR HA . 15805 1 582 . 1 1 46 46 TYR HB2 H 1 3.10 0.02 . 2 . . . . 46 TYR HB2 . 15805 1 583 . 1 1 46 46 TYR HB3 H 1 3.14 0.02 . 2 . . . . 46 TYR HB3 . 15805 1 584 . 1 1 46 46 TYR HD1 H 1 6.79 0.02 . 3 . . . . 46 TYR HD1 . 15805 1 585 . 1 1 46 46 TYR HE1 H 1 6.30 0.02 . 3 . . . . 46 TYR HE1 . 15805 1 586 . 1 1 46 46 TYR C C 13 172.4 0.2 . 1 . . . . 46 TYR C . 15805 1 587 . 1 1 46 46 TYR CA C 13 57.1 0.2 . 1 . . . . 46 TYR CA . 15805 1 588 . 1 1 46 46 TYR CB C 13 40.2 0.2 . 1 . . . . 46 TYR CB . 15805 1 589 . 1 1 46 46 TYR CD1 C 13 133.8 0.2 . 3 . . . . 46 TYR CD1 . 15805 1 590 . 1 1 46 46 TYR CE1 C 13 118.4 0.2 . 3 . . . . 46 TYR CE1 . 15805 1 591 . 1 1 46 46 TYR N N 15 117.1 0.2 . 1 . . . . 46 TYR N . 15805 1 592 . 1 1 47 47 VAL H H 1 8.43 0.02 . 1 . . . . 47 VAL H . 15805 1 593 . 1 1 47 47 VAL HA H 1 4.89 0.02 . 1 . . . . 47 VAL HA . 15805 1 594 . 1 1 47 47 VAL HB H 1 1.83 0.02 . 1 . . . . 47 VAL HB . 15805 1 595 . 1 1 47 47 VAL HG11 H 1 0.76 0.02 . 1 . . . . 47 VAL HG1 . 15805 1 596 . 1 1 47 47 VAL HG12 H 1 0.76 0.02 . 1 . . . . 47 VAL HG1 . 15805 1 597 . 1 1 47 47 VAL HG13 H 1 0.76 0.02 . 1 . . . . 47 VAL HG1 . 15805 1 598 . 1 1 47 47 VAL HG21 H 1 0.80 0.02 . 1 . . . . 47 VAL HG2 . 15805 1 599 . 1 1 47 47 VAL HG22 H 1 0.80 0.02 . 1 . . . . 47 VAL HG2 . 15805 1 600 . 1 1 47 47 VAL HG23 H 1 0.80 0.02 . 1 . . . . 47 VAL HG2 . 15805 1 601 . 1 1 47 47 VAL C C 13 175.8 0.2 . 1 . . . . 47 VAL C . 15805 1 602 . 1 1 47 47 VAL CA C 13 60.8 0.2 . 1 . . . . 47 VAL CA . 15805 1 603 . 1 1 47 47 VAL CB C 13 34.8 0.2 . 1 . . . . 47 VAL CB . 15805 1 604 . 1 1 47 47 VAL CG1 C 13 22.0 0.2 . 1 . . . . 47 VAL CG1 . 15805 1 605 . 1 1 47 47 VAL CG2 C 13 21.4 0.2 . 1 . . . . 47 VAL CG2 . 15805 1 606 . 1 1 47 47 VAL N N 15 119.2 0.2 . 1 . . . . 47 VAL N . 15805 1 607 . 1 1 48 48 ILE H H 1 8.68 0.02 . 1 . . . . 48 ILE H . 15805 1 608 . 1 1 48 48 ILE HA H 1 4.56 0.02 . 1 . . . . 48 ILE HA . 15805 1 609 . 1 1 48 48 ILE HB H 1 1.84 0.02 . 1 . . . . 48 ILE HB . 15805 1 610 . 1 1 48 48 ILE HD11 H 1 0.87 0.02 . 1 . . . . 48 ILE HD1 . 15805 1 611 . 1 1 48 48 ILE HD12 H 1 0.87 0.02 . 1 . . . . 48 ILE HD1 . 15805 1 612 . 1 1 48 48 ILE HD13 H 1 0.87 0.02 . 1 . . . . 48 ILE HD1 . 15805 1 613 . 1 1 48 48 ILE HG12 H 1 1.08 0.02 . 2 . . . . 48 ILE HG12 . 15805 1 614 . 1 1 48 48 ILE HG13 H 1 1.42 0.02 . 2 . . . . 48 ILE HG13 . 15805 1 615 . 1 1 48 48 ILE HG21 H 1 0.91 0.02 . 1 . . . . 48 ILE HG2 . 15805 1 616 . 1 1 48 48 ILE HG22 H 1 0.91 0.02 . 1 . . . . 48 ILE HG2 . 15805 1 617 . 1 1 48 48 ILE HG23 H 1 0.91 0.02 . 1 . . . . 48 ILE HG2 . 15805 1 618 . 1 1 48 48 ILE C C 13 174.5 0.2 . 1 . . . . 48 ILE C . 15805 1 619 . 1 1 48 48 ILE CA C 13 59.7 0.2 . 1 . . . . 48 ILE CA . 15805 1 620 . 1 1 48 48 ILE CB C 13 41.5 0.2 . 1 . . . . 48 ILE CB . 15805 1 621 . 1 1 48 48 ILE CD1 C 13 14.4 0.2 . 1 . . . . 48 ILE CD1 . 15805 1 622 . 1 1 48 48 ILE CG1 C 13 27.4 0.2 . 1 . . . . 48 ILE CG1 . 15805 1 623 . 1 1 48 48 ILE CG2 C 13 18.4 0.2 . 1 . . . . 48 ILE CG2 . 15805 1 624 . 1 1 48 48 ILE N N 15 124.4 0.2 . 1 . . . . 48 ILE N . 15805 1 625 . 1 1 49 49 GLU H H 1 8.32 0.02 . 1 . . . . 49 GLU H . 15805 1 626 . 1 1 49 49 GLU C C 13 175.5 0.2 . 1 . . . . 49 GLU C . 15805 1 627 . 1 1 49 49 GLU CA C 13 55.5 0.2 . 1 . . . . 49 GLU CA . 15805 1 628 . 1 1 49 49 GLU CB C 13 31.8 0.2 . 1 . . . . 49 GLU CB . 15805 1 629 . 1 1 49 49 GLU CG C 13 37.2 0.2 . 1 . . . . 49 GLU CG . 15805 1 630 . 1 1 49 49 GLU N N 15 123.4 0.2 . 1 . . . . 49 GLU N . 15805 1 631 . 1 1 50 50 ASP H H 1 8.61 0.02 . 1 . . . . 50 ASP H . 15805 1 632 . 1 1 50 50 ASP C C 13 175.1 0.2 . 1 . . . . 50 ASP C . 15805 1 633 . 1 1 50 50 ASP CA C 13 53.1 0.2 . 1 . . . . 50 ASP CA . 15805 1 634 . 1 1 50 50 ASP CB C 13 44.0 0.2 . 1 . . . . 50 ASP CB . 15805 1 635 . 1 1 50 50 ASP N N 15 124.3 0.2 . 1 . . . . 50 ASP N . 15805 1 636 . 1 1 51 51 GLU H H 1 8.45 0.02 . 1 . . . . 51 GLU H . 15805 1 637 . 1 1 51 51 GLU C C 13 175.9 0.2 . 1 . . . . 51 GLU C . 15805 1 638 . 1 1 51 51 GLU CA C 13 56.0 0.2 . 1 . . . . 51 GLU CA . 15805 1 639 . 1 1 51 51 GLU CB C 13 31.7 0.2 . 1 . . . . 51 GLU CB . 15805 1 640 . 1 1 51 51 GLU N N 15 121.3 0.2 . 1 . . . . 51 GLU N . 15805 1 641 . 1 1 52 52 ILE H H 1 8.48 0.02 . 1 . . . . 52 ILE H . 15805 1 642 . 1 1 52 52 ILE C C 13 175.4 0.2 . 1 . . . . 52 ILE C . 15805 1 643 . 1 1 52 52 ILE CA C 13 60.4 0.2 . 1 . . . . 52 ILE CA . 15805 1 644 . 1 1 52 52 ILE CB C 13 40.0 0.2 . 1 . . . . 52 ILE CB . 15805 1 645 . 1 1 52 52 ILE N N 15 122.7 0.2 . 1 . . . . 52 ILE N . 15805 1 646 . 1 1 53 53 VAL H H 1 8.14 0.02 . 1 . . . . 53 VAL H . 15805 1 647 . 1 1 53 53 VAL C C 13 175.6 0.2 . 1 . . . . 53 VAL C . 15805 1 648 . 1 1 53 53 VAL CA C 13 61.9 0.2 . 1 . . . . 53 VAL CA . 15805 1 649 . 1 1 53 53 VAL CB C 13 33.2 0.2 . 1 . . . . 53 VAL CB . 15805 1 650 . 1 1 53 53 VAL N N 15 124.4 0.2 . 1 . . . . 53 VAL N . 15805 1 651 . 1 1 54 54 GLU H H 1 8.54 0.02 . 1 . . . . 54 GLU H . 15805 1 652 . 1 1 54 54 GLU CA C 13 55.6 0.2 . 1 . . . . 54 GLU CA . 15805 1 653 . 1 1 54 54 GLU CB C 13 34.3 0.2 . 1 . . . . 54 GLU CB . 15805 1 654 . 1 1 54 54 GLU N N 15 125.9 0.2 . 1 . . . . 54 GLU N . 15805 1 655 . 1 1 55 55 PRO C C 13 177.5 0.2 . 1 . . . . 55 PRO C . 15805 1 656 . 1 1 55 55 PRO CA C 13 63.4 0.2 . 1 . . . . 55 PRO CA . 15805 1 657 . 1 1 55 55 PRO CB C 13 32.3 0.2 . 1 . . . . 55 PRO CB . 15805 1 658 . 1 1 56 56 GLY H H 1 8.42 0.02 . 1 . . . . 56 GLY H . 15805 1 659 . 1 1 56 56 GLY HA2 H 1 3.83 0.02 . 2 . . . . 56 GLY HA2 . 15805 1 660 . 1 1 56 56 GLY HA3 H 1 4.00 0.02 . 2 . . . . 56 GLY HA3 . 15805 1 661 . 1 1 56 56 GLY C C 13 174.5 0.2 . 1 . . . . 56 GLY C . 15805 1 662 . 1 1 56 56 GLY CA C 13 45.4 0.2 . 1 . . . . 56 GLY CA . 15805 1 663 . 1 1 56 56 GLY N N 15 109.7 0.2 . 1 . . . . 56 GLY N . 15805 1 664 . 1 1 57 57 GLU H H 1 8.18 0.02 . 1 . . . . 57 GLU H . 15805 1 665 . 1 1 57 57 GLU C C 13 176.3 0.2 . 1 . . . . 57 GLU C . 15805 1 666 . 1 1 57 57 GLU CA C 13 57.5 0.2 . 1 . . . . 57 GLU CA . 15805 1 667 . 1 1 57 57 GLU CB C 13 30.4 0.2 . 1 . . . . 57 GLU CB . 15805 1 668 . 1 1 57 57 GLU N N 15 120.9 0.2 . 1 . . . . 57 GLU N . 15805 1 669 . 1 1 58 58 TYR H H 1 8.02 0.02 . 1 . . . . 58 TYR H . 15805 1 670 . 1 1 58 58 TYR C C 13 175.1 0.2 . 1 . . . . 58 TYR C . 15805 1 671 . 1 1 58 58 TYR CA C 13 57.4 0.2 . 1 . . . . 58 TYR CA . 15805 1 672 . 1 1 58 58 TYR CB C 13 38.9 0.2 . 1 . . . . 58 TYR CB . 15805 1 673 . 1 1 58 58 TYR N N 15 118.8 0.2 . 1 . . . . 58 TYR N . 15805 1 674 . 1 1 59 59 ASP H H 1 7.95 0.02 . 1 . . . . 59 ASP H . 15805 1 675 . 1 1 59 59 ASP CA C 13 52.7 0.2 . 1 . . . . 59 ASP CA . 15805 1 676 . 1 1 59 59 ASP CB C 13 41.0 0.2 . 1 . . . . 59 ASP CB . 15805 1 677 . 1 1 59 59 ASP N N 15 123.5 0.2 . 1 . . . . 59 ASP N . 15805 1 678 . 1 1 61 61 PRO HA H 1 4.51 0.02 . 1 . . . . 61 PRO HA . 15805 1 679 . 1 1 61 61 PRO HB2 H 1 2.21 0.02 . 2 . . . . 61 PRO HB2 . 15805 1 680 . 1 1 61 61 PRO HB3 H 1 2.23 0.02 . 2 . . . . 61 PRO HB3 . 15805 1 681 . 1 1 61 61 PRO HD2 H 1 3.47 0.02 . 2 . . . . 61 PRO HD2 . 15805 1 682 . 1 1 61 61 PRO HD3 H 1 3.56 0.02 . 2 . . . . 61 PRO HD3 . 15805 1 683 . 1 1 61 61 PRO HG2 H 1 1.77 0.02 . 2 . . . . 61 PRO HG2 . 15805 1 684 . 1 1 61 61 PRO HG3 H 1 1.93 0.02 . 2 . . . . 61 PRO HG3 . 15805 1 685 . 1 1 61 61 PRO C C 13 176.5 0.2 . 1 . . . . 61 PRO C . 15805 1 686 . 1 1 61 61 PRO CA C 13 63.7 0.2 . 1 . . . . 61 PRO CA . 15805 1 687 . 1 1 61 61 PRO CB C 13 34.2 0.2 . 1 . . . . 61 PRO CB . 15805 1 688 . 1 1 61 61 PRO CD C 13 50.3 0.2 . 1 . . . . 61 PRO CD . 15805 1 689 . 1 1 61 61 PRO CG C 13 24.8 0.2 . 1 . . . . 61 PRO CG . 15805 1 690 . 1 1 62 62 GLU H H 1 8.49 0.02 . 1 . . . . 62 GLU H . 15805 1 691 . 1 1 62 62 GLU N N 15 124.6 0.2 . 1 . . . . 62 GLU N . 15805 1 692 . 1 1 64 64 LYS C C 13 176.3 0.2 . 1 . . . . 64 LYS C . 15805 1 693 . 1 1 64 64 LYS CA C 13 57.0 0.2 . 1 . . . . 64 LYS CA . 15805 1 694 . 1 1 64 64 LYS CB C 13 33.1 0.2 . 1 . . . . 64 LYS CB . 15805 1 695 . 1 1 65 65 TYR H H 1 7.96 0.02 . 1 . . . . 65 TYR H . 15805 1 696 . 1 1 65 65 TYR C C 13 176.0 0.2 . 1 . . . . 65 TYR C . 15805 1 697 . 1 1 65 65 TYR CA C 13 57.8 0.2 . 1 . . . . 65 TYR CA . 15805 1 698 . 1 1 65 65 TYR CB C 13 38.8 0.2 . 1 . . . . 65 TYR CB . 15805 1 699 . 1 1 65 65 TYR N N 15 119.3 0.2 . 1 . . . . 65 TYR N . 15805 1 700 . 1 1 66 66 THR H H 1 7.82 0.02 . 1 . . . . 66 THR H . 15805 1 701 . 1 1 66 66 THR HA H 1 4.28 0.02 . 1 . . . . 66 THR HA . 15805 1 702 . 1 1 66 66 THR HB H 1 4.13 0.02 . 1 . . . . 66 THR HB . 15805 1 703 . 1 1 66 66 THR HG21 H 1 1.11 0.02 . 1 . . . . 66 THR HG2 . 15805 1 704 . 1 1 66 66 THR HG22 H 1 1.11 0.02 . 1 . . . . 66 THR HG2 . 15805 1 705 . 1 1 66 66 THR HG23 H 1 1.11 0.02 . 1 . . . . 66 THR HG2 . 15805 1 706 . 1 1 66 66 THR C C 13 174.1 0.2 . 1 . . . . 66 THR C . 15805 1 707 . 1 1 66 66 THR CA C 13 62.1 0.2 . 1 . . . . 66 THR CA . 15805 1 708 . 1 1 66 66 THR CB C 13 70.0 0.2 . 1 . . . . 66 THR CB . 15805 1 709 . 1 1 66 66 THR CG2 C 13 21.8 0.2 . 1 . . . . 66 THR CG2 . 15805 1 710 . 1 1 66 66 THR N N 15 113.9 0.2 . 1 . . . . 66 THR N . 15805 1 711 . 1 1 67 67 ASN H H 1 8.27 0.02 . 1 . . . . 67 ASN H . 15805 1 712 . 1 1 67 67 ASN C C 13 174.1 0.2 . 1 . . . . 67 ASN C . 15805 1 713 . 1 1 67 67 ASN CA C 13 53.4 0.2 . 1 . . . . 67 ASN CA . 15805 1 714 . 1 1 67 67 ASN CB C 13 39.3 0.2 . 1 . . . . 67 ASN CB . 15805 1 715 . 1 1 67 67 ASN N N 15 121.4 0.2 . 1 . . . . 67 ASN N . 15805 1 716 . 1 1 68 68 VAL H H 1 7.66 0.02 . 1 . . . . 68 VAL H . 15805 1 717 . 1 1 68 68 VAL C C 13 175.5 0.2 . 1 . . . . 68 VAL C . 15805 1 718 . 1 1 68 68 VAL CA C 13 61.8 0.2 . 1 . . . . 68 VAL CA . 15805 1 719 . 1 1 68 68 VAL CB C 13 33.7 0.2 . 1 . . . . 68 VAL CB . 15805 1 720 . 1 1 68 68 VAL N N 15 119.4 0.2 . 1 . . . . 68 VAL N . 15805 1 721 . 1 1 69 69 LYS H H 1 8.69 0.02 . 1 . . . . 69 LYS H . 15805 1 722 . 1 1 69 69 LYS C C 13 175.2 0.2 . 1 . . . . 69 LYS C . 15805 1 723 . 1 1 69 69 LYS CA C 13 55.2 0.2 . 1 . . . . 69 LYS CA . 15805 1 724 . 1 1 69 69 LYS CB C 13 35.2 0.2 . 1 . . . . 69 LYS CB . 15805 1 725 . 1 1 69 69 LYS N N 15 126.5 0.2 . 1 . . . . 69 LYS N . 15805 1 726 . 1 1 70 70 LYS H H 1 8.23 0.02 . 1 . . . . 70 LYS H . 15805 1 727 . 1 1 70 70 LYS C C 13 176.4 0.2 . 1 . . . . 70 LYS C . 15805 1 728 . 1 1 70 70 LYS CA C 13 55.6 0.2 . 1 . . . . 70 LYS CA . 15805 1 729 . 1 1 70 70 LYS CB C 13 33.8 0.2 . 1 . . . . 70 LYS CB . 15805 1 730 . 1 1 70 70 LYS N N 15 122.7 0.2 . 1 . . . . 70 LYS N . 15805 1 731 . 1 1 71 71 VAL H H 1 8.53 0.02 . 1 . . . . 71 VAL H . 15805 1 732 . 1 1 71 71 VAL HA H 1 4.51 0.02 . 1 . . . . 71 VAL HA . 15805 1 733 . 1 1 71 71 VAL C C 13 174.7 0.2 . 1 . . . . 71 VAL C . 15805 1 734 . 1 1 71 71 VAL CA C 13 60.9 0.2 . 1 . . . . 71 VAL CA . 15805 1 735 . 1 1 71 71 VAL CB C 13 34.8 0.2 . 1 . . . . 71 VAL CB . 15805 1 736 . 1 1 71 71 VAL CG1 C 13 21.6 0.2 . 1 . . . . 71 VAL CG1 . 15805 1 737 . 1 1 71 71 VAL CG2 C 13 20.2 0.2 . 1 . . . . 71 VAL CG2 . 15805 1 738 . 1 1 71 71 VAL N N 15 121.2 0.2 . 1 . . . . 71 VAL N . 15805 1 739 . 1 1 72 72 LYS H H 1 8.21 0.02 . 1 . . . . 72 LYS H . 15805 1 740 . 1 1 72 72 LYS HA H 1 4.80 0.02 . 1 . . . . 72 LYS HA . 15805 1 741 . 1 1 72 72 LYS HB2 H 1 1.51 0.02 . 2 . . . . 72 LYS HB2 . 15805 1 742 . 1 1 72 72 LYS HB3 H 1 1.66 0.02 . 2 . . . . 72 LYS HB3 . 15805 1 743 . 1 1 72 72 LYS HD2 H 1 1.56 0.02 . 2 . . . . 72 LYS HD2 . 15805 1 744 . 1 1 72 72 LYS HD3 H 1 1.58 0.02 . 2 . . . . 72 LYS HD3 . 15805 1 745 . 1 1 72 72 LYS HG2 H 1 1.22 0.02 . 2 . . . . 72 LYS HG2 . 15805 1 746 . 1 1 72 72 LYS HG3 H 1 1.42 0.02 . 2 . . . . 72 LYS HG3 . 15805 1 747 . 1 1 72 72 LYS C C 13 176.2 0.2 . 1 . . . . 72 LYS C . 15805 1 748 . 1 1 72 72 LYS CA C 13 55.7 0.2 . 1 . . . . 72 LYS CA . 15805 1 749 . 1 1 72 72 LYS CB C 13 33.7 0.2 . 1 . . . . 72 LYS CB . 15805 1 750 . 1 1 72 72 LYS CD C 13 29.4 0.2 . 1 . . . . 72 LYS CD . 15805 1 751 . 1 1 72 72 LYS CG C 13 25.7 0.2 . 1 . . . . 72 LYS CG . 15805 1 752 . 1 1 72 72 LYS N N 15 123.6 0.2 . 1 . . . . 72 LYS N . 15805 1 753 . 1 1 73 73 ILE H H 1 8.89 0.02 . 1 . . . . 73 ILE H . 15805 1 754 . 1 1 73 73 ILE C C 13 174.4 0.2 . 1 . . . . 73 ILE C . 15805 1 755 . 1 1 73 73 ILE CA C 13 60.4 0.2 . 1 . . . . 73 ILE CA . 15805 1 756 . 1 1 73 73 ILE CB C 13 40.8 0.2 . 1 . . . . 73 ILE CB . 15805 1 757 . 1 1 73 73 ILE CD1 C 13 13.4 0.2 . 1 . . . . 73 ILE CD1 . 15805 1 758 . 1 1 73 73 ILE CG1 C 13 27.3 0.2 . 1 . . . . 73 ILE CG1 . 15805 1 759 . 1 1 73 73 ILE CG2 C 13 18.0 0.2 . 1 . . . . 73 ILE CG2 . 15805 1 760 . 1 1 73 73 ILE N N 15 125.1 0.2 . 1 . . . . 73 ILE N . 15805 1 761 . 1 1 74 74 LYS H H 1 8.42 0.02 . 1 . . . . 74 LYS H . 15805 1 762 . 1 1 74 74 LYS HA H 1 4.80 0.02 . 1 . . . . 74 LYS HA . 15805 1 763 . 1 1 74 74 LYS HB2 H 1 1.57 0.02 . 2 . . . . 74 LYS HB2 . 15805 1 764 . 1 1 74 74 LYS HB3 H 1 1.68 0.02 . 2 . . . . 74 LYS HB3 . 15805 1 765 . 1 1 74 74 LYS HD2 H 1 1.09 0.02 . 2 . . . . 74 LYS HD2 . 15805 1 766 . 1 1 74 74 LYS HD3 H 1 1.16 0.02 . 2 . . . . 74 LYS HD3 . 15805 1 767 . 1 1 74 74 LYS HE2 H 1 2.08 0.02 . 2 . . . . 74 LYS HE2 . 15805 1 768 . 1 1 74 74 LYS HE3 H 1 2.41 0.02 . 2 . . . . 74 LYS HE3 . 15805 1 769 . 1 1 74 74 LYS HG2 H 1 0.94 0.02 . 2 . . . . 74 LYS HG2 . 15805 1 770 . 1 1 74 74 LYS HG3 H 1 1.18 0.02 . 2 . . . . 74 LYS HG3 . 15805 1 771 . 1 1 74 74 LYS C C 13 175.6 0.2 . 1 . . . . 74 LYS C . 15805 1 772 . 1 1 74 74 LYS CA C 13 56.2 0.2 . 1 . . . . 74 LYS CA . 15805 1 773 . 1 1 74 74 LYS CB C 13 34.3 0.2 . 1 . . . . 74 LYS CB . 15805 1 774 . 1 1 74 74 LYS CD C 13 29.7 0.2 . 1 . . . . 74 LYS CD . 15805 1 775 . 1 1 74 74 LYS CE C 13 41.6 0.2 . 1 . . . . 74 LYS CE . 15805 1 776 . 1 1 74 74 LYS CG C 13 25.6 0.2 . 1 . . . . 74 LYS CG . 15805 1 777 . 1 1 74 74 LYS N N 15 126.4 0.2 . 1 . . . . 74 LYS N . 15805 1 778 . 1 1 75 75 LYS H H 1 9.09 0.02 . 1 . . . . 75 LYS H . 15805 1 779 . 1 1 75 75 LYS HA H 1 4.80 0.02 . 1 . . . . 75 LYS HA . 15805 1 780 . 1 1 75 75 LYS HB2 H 1 0.49 0.02 . 2 . . . . 75 LYS HB2 . 15805 1 781 . 1 1 75 75 LYS HB3 H 1 1.29 0.02 . 2 . . . . 75 LYS HB3 . 15805 1 782 . 1 1 75 75 LYS HD2 H 1 1.27 0.02 . 2 . . . . 75 LYS HD2 . 15805 1 783 . 1 1 75 75 LYS HD3 H 1 1.50 0.02 . 2 . . . . 75 LYS HD3 . 15805 1 784 . 1 1 75 75 LYS HE2 H 1 2.55 0.02 . 2 . . . . 75 LYS HE2 . 15805 1 785 . 1 1 75 75 LYS HE3 H 1 2.68 0.02 . 2 . . . . 75 LYS HE3 . 15805 1 786 . 1 1 75 75 LYS HG2 H 1 0.96 0.02 . 2 . . . . 75 LYS HG2 . 15805 1 787 . 1 1 75 75 LYS HG3 H 1 1.01 0.02 . 2 . . . . 75 LYS HG3 . 15805 1 788 . 1 1 75 75 LYS C C 13 174.9 0.2 . 1 . . . . 75 LYS C . 15805 1 789 . 1 1 75 75 LYS CA C 13 53.2 0.2 . 1 . . . . 75 LYS CA . 15805 1 790 . 1 1 75 75 LYS CB C 13 34.2 0.2 . 1 . . . . 75 LYS CB . 15805 1 791 . 1 1 75 75 LYS CD C 13 28.5 0.2 . 1 . . . . 75 LYS CD . 15805 1 792 . 1 1 75 75 LYS CE C 13 43.0 0.2 . 1 . . . . 75 LYS CE . 15805 1 793 . 1 1 75 75 LYS CG C 13 24.6 0.2 . 1 . . . . 75 LYS CG . 15805 1 794 . 1 1 75 75 LYS N N 15 127.5 0.2 . 1 . . . . 75 LYS N . 15805 1 795 . 1 1 76 76 VAL H H 1 8.61 0.02 . 1 . . . . 76 VAL H . 15805 1 796 . 1 1 76 76 VAL HA H 1 5.34 0.02 . 1 . . . . 76 VAL HA . 15805 1 797 . 1 1 76 76 VAL HB H 1 1.67 0.02 . 1 . . . . 76 VAL HB . 15805 1 798 . 1 1 76 76 VAL HG11 H 1 0.13 0.02 . 1 . . . . 76 VAL HG1 . 15805 1 799 . 1 1 76 76 VAL HG12 H 1 0.13 0.02 . 1 . . . . 76 VAL HG1 . 15805 1 800 . 1 1 76 76 VAL HG13 H 1 0.13 0.02 . 1 . . . . 76 VAL HG1 . 15805 1 801 . 1 1 76 76 VAL HG21 H 1 0.79 0.02 . 1 . . . . 76 VAL HG2 . 15805 1 802 . 1 1 76 76 VAL HG22 H 1 0.79 0.02 . 1 . . . . 76 VAL HG2 . 15805 1 803 . 1 1 76 76 VAL HG23 H 1 0.79 0.02 . 1 . . . . 76 VAL HG2 . 15805 1 804 . 1 1 76 76 VAL C C 13 171.4 0.2 . 1 . . . . 76 VAL C . 15805 1 805 . 1 1 76 76 VAL CA C 13 58.0 0.2 . 1 . . . . 76 VAL CA . 15805 1 806 . 1 1 76 76 VAL CB C 13 36.4 0.2 . 1 . . . . 76 VAL CB . 15805 1 807 . 1 1 76 76 VAL CG1 C 13 20.5 0.2 . 1 . . . . 76 VAL CG1 . 15805 1 808 . 1 1 76 76 VAL CG2 C 13 23.6 0.2 . 1 . . . . 76 VAL CG2 . 15805 1 809 . 1 1 76 76 VAL N N 15 120.1 0.2 . 1 . . . . 76 VAL N . 15805 1 810 . 1 1 77 77 TYR H H 1 9.11 0.02 . 1 . . . . 77 TYR H . 15805 1 811 . 1 1 77 77 TYR HA H 1 6.15 0.02 . 1 . . . . 77 TYR HA . 15805 1 812 . 1 1 77 77 TYR HB2 H 1 2.77 0.02 . 2 . . . . 77 TYR HB2 . 15805 1 813 . 1 1 77 77 TYR HB3 H 1 2.89 0.02 . 2 . . . . 77 TYR HB3 . 15805 1 814 . 1 1 77 77 TYR HD1 H 1 6.57 0.02 . 3 . . . . 77 TYR HD1 . 15805 1 815 . 1 1 77 77 TYR HE1 H 1 6.51 0.02 . 3 . . . . 77 TYR HE1 . 15805 1 816 . 1 1 77 77 TYR C C 13 173.6 0.2 . 1 . . . . 77 TYR C . 15805 1 817 . 1 1 77 77 TYR CA C 13 56.2 0.2 . 1 . . . . 77 TYR CA . 15805 1 818 . 1 1 77 77 TYR CB C 13 44.0 0.2 . 1 . . . . 77 TYR CB . 15805 1 819 . 1 1 77 77 TYR CD1 C 13 133.4 0.2 . 3 . . . . 77 TYR CD1 . 15805 1 820 . 1 1 77 77 TYR CE1 C 13 118.0 0.2 . 3 . . . . 77 TYR CE1 . 15805 1 821 . 1 1 77 77 TYR N N 15 121.3 0.2 . 1 . . . . 77 TYR N . 15805 1 822 . 1 1 78 78 PHE H H 1 8.19 0.02 . 1 . . . . 78 PHE H . 15805 1 823 . 1 1 78 78 PHE HA H 1 5.13 0.02 . 1 . . . . 78 PHE HA . 15805 1 824 . 1 1 78 78 PHE HB2 H 1 2.99 0.02 . 2 . . . . 78 PHE HB2 . 15805 1 825 . 1 1 78 78 PHE HB3 H 1 3.25 0.02 . 2 . . . . 78 PHE HB3 . 15805 1 826 . 1 1 78 78 PHE HD1 H 1 6.92 0.02 . 3 . . . . 78 PHE HD1 . 15805 1 827 . 1 1 78 78 PHE HE1 H 1 6.49 0.02 . 3 . . . . 78 PHE HE1 . 15805 1 828 . 1 1 78 78 PHE HZ H 1 6.67 0.02 . 1 . . . . 78 PHE HZ . 15805 1 829 . 1 1 78 78 PHE C C 13 173.6 0.2 . 1 . . . . 78 PHE C . 15805 1 830 . 1 1 78 78 PHE CA C 13 55.9 0.2 . 1 . . . . 78 PHE CA . 15805 1 831 . 1 1 78 78 PHE CB C 13 42.5 0.2 . 1 . . . . 78 PHE CB . 15805 1 832 . 1 1 78 78 PHE CD1 C 13 133.3 0.2 . 3 . . . . 78 PHE CD1 . 15805 1 833 . 1 1 78 78 PHE CE1 C 13 130.2 0.2 . 3 . . . . 78 PHE CE1 . 15805 1 834 . 1 1 78 78 PHE CZ C 13 128.7 0.2 . 1 . . . . 78 PHE CZ . 15805 1 835 . 1 1 78 78 PHE N N 15 112.7 0.2 . 1 . . . . 78 PHE N . 15805 1 836 . 1 1 79 79 GLU H H 1 8.92 0.02 . 1 . . . . 79 GLU H . 15805 1 837 . 1 1 79 79 GLU HA H 1 5.39 0.02 . 1 . . . . 79 GLU HA . 15805 1 838 . 1 1 79 79 GLU HB2 H 1 2.00 0.02 . 2 . . . . 79 GLU HB2 . 15805 1 839 . 1 1 79 79 GLU HB3 H 1 2.15 0.02 . 2 . . . . 79 GLU HB3 . 15805 1 840 . 1 1 79 79 GLU HG2 H 1 2.23 0.02 . 2 . . . . 79 GLU HG2 . 15805 1 841 . 1 1 79 79 GLU HG3 H 1 2.38 0.02 . 2 . . . . 79 GLU HG3 . 15805 1 842 . 1 1 79 79 GLU C C 13 177.0 0.2 . 1 . . . . 79 GLU C . 15805 1 843 . 1 1 79 79 GLU CA C 13 54.9 0.2 . 1 . . . . 79 GLU CA . 15805 1 844 . 1 1 79 79 GLU CB C 13 33.6 0.2 . 1 . . . . 79 GLU CB . 15805 1 845 . 1 1 79 79 GLU CG C 13 37.7 0.2 . 1 . . . . 79 GLU CG . 15805 1 846 . 1 1 79 79 GLU N N 15 120.5 0.2 . 1 . . . . 79 GLU N . 15805 1 847 . 1 1 80 80 THR H H 1 8.97 0.02 . 1 . . . . 80 THR H . 15805 1 848 . 1 1 80 80 THR HA H 1 4.70 0.02 . 1 . . . . 80 THR HA . 15805 1 849 . 1 1 80 80 THR HB H 1 4.89 0.02 . 1 . . . . 80 THR HB . 15805 1 850 . 1 1 80 80 THR HG1 H 1 6.08 0.02 . 1 . . . . 80 THR HG1 . 15805 1 851 . 1 1 80 80 THR HG21 H 1 0.99 0.02 . 1 . . . . 80 THR HG2 . 15805 1 852 . 1 1 80 80 THR HG22 H 1 0.99 0.02 . 1 . . . . 80 THR HG2 . 15805 1 853 . 1 1 80 80 THR HG23 H 1 0.99 0.02 . 1 . . . . 80 THR HG2 . 15805 1 854 . 1 1 80 80 THR C C 13 177.0 0.2 . 1 . . . . 80 THR C . 15805 1 855 . 1 1 80 80 THR CA C 13 61.3 0.2 . 1 . . . . 80 THR CA . 15805 1 856 . 1 1 80 80 THR CB C 13 70.5 0.2 . 1 . . . . 80 THR CB . 15805 1 857 . 1 1 80 80 THR CG2 C 13 22.6 0.2 . 1 . . . . 80 THR CG2 . 15805 1 858 . 1 1 80 80 THR N N 15 113.2 0.2 . 1 . . . . 80 THR N . 15805 1 859 . 1 1 81 81 LEU H H 1 8.61 0.02 . 1 . . . . 81 LEU H . 15805 1 860 . 1 1 81 81 LEU HA H 1 4.23 0.02 . 1 . . . . 81 LEU HA . 15805 1 861 . 1 1 81 81 LEU HB2 H 1 1.64 0.02 . 2 . . . . 81 LEU HB2 . 15805 1 862 . 1 1 81 81 LEU HB3 H 1 1.68 0.02 . 2 . . . . 81 LEU HB3 . 15805 1 863 . 1 1 81 81 LEU HD11 H 1 0.93 0.02 . 1 . . . . 81 LEU HD1 . 15805 1 864 . 1 1 81 81 LEU HD12 H 1 0.93 0.02 . 1 . . . . 81 LEU HD1 . 15805 1 865 . 1 1 81 81 LEU HD13 H 1 0.93 0.02 . 1 . . . . 81 LEU HD1 . 15805 1 866 . 1 1 81 81 LEU HD21 H 1 0.92 0.02 . 1 . . . . 81 LEU HD2 . 15805 1 867 . 1 1 81 81 LEU HD22 H 1 0.92 0.02 . 1 . . . . 81 LEU HD2 . 15805 1 868 . 1 1 81 81 LEU HD23 H 1 0.92 0.02 . 1 . . . . 81 LEU HD2 . 15805 1 869 . 1 1 81 81 LEU HG H 1 1.71 0.02 . 1 . . . . 81 LEU HG . 15805 1 870 . 1 1 81 81 LEU C C 13 177.4 0.2 . 1 . . . . 81 LEU C . 15805 1 871 . 1 1 81 81 LEU CA C 13 57.7 0.2 . 1 . . . . 81 LEU CA . 15805 1 872 . 1 1 81 81 LEU CB C 13 42.4 0.2 . 1 . . . . 81 LEU CB . 15805 1 873 . 1 1 81 81 LEU CD1 C 13 25.0 0.2 . 1 . . . . 81 LEU CD1 . 15805 1 874 . 1 1 81 81 LEU CD2 C 13 23.9 0.2 . 1 . . . . 81 LEU CD2 . 15805 1 875 . 1 1 81 81 LEU CG C 13 27.4 0.2 . 1 . . . . 81 LEU CG . 15805 1 876 . 1 1 81 81 LEU N N 15 120.9 0.2 . 1 . . . . 81 LEU N . 15805 1 877 . 1 1 82 82 ASP H H 1 8.85 0.02 . 1 . . . . 82 ASP H . 15805 1 878 . 1 1 82 82 ASP HA H 1 4.67 0.02 . 1 . . . . 82 ASP HA . 15805 1 879 . 1 1 82 82 ASP HB2 H 1 2.59 0.02 . 2 . . . . 82 ASP HB2 . 15805 1 880 . 1 1 82 82 ASP HB3 H 1 3.03 0.02 . 2 . . . . 82 ASP HB3 . 15805 1 881 . 1 1 82 82 ASP C C 13 174.1 0.2 . 1 . . . . 82 ASP C . 15805 1 882 . 1 1 82 82 ASP CA C 13 52.7 0.2 . 1 . . . . 82 ASP CA . 15805 1 883 . 1 1 82 82 ASP CB C 13 37.9 0.2 . 1 . . . . 82 ASP CB . 15805 1 884 . 1 1 82 82 ASP N N 15 112.3 0.2 . 1 . . . . 82 ASP N . 15805 1 885 . 1 1 83 83 ASN H H 1 7.79 0.02 . 1 . . . . 83 ASN H . 15805 1 886 . 1 1 83 83 ASN HA H 1 4.27 0.02 . 1 . . . . 83 ASN HA . 15805 1 887 . 1 1 83 83 ASN HB2 H 1 2.80 0.02 . 2 . . . . 83 ASN HB2 . 15805 1 888 . 1 1 83 83 ASN HB3 H 1 3.00 0.02 . 2 . . . . 83 ASN HB3 . 15805 1 889 . 1 1 83 83 ASN HD21 H 1 6.67 0.02 . 2 . . . . 83 ASN HD21 . 15805 1 890 . 1 1 83 83 ASN HD22 H 1 7.47 0.02 . 2 . . . . 83 ASN HD22 . 15805 1 891 . 1 1 83 83 ASN C C 13 176.1 0.2 . 1 . . . . 83 ASN C . 15805 1 892 . 1 1 83 83 ASN CA C 13 55.3 0.2 . 1 . . . . 83 ASN CA . 15805 1 893 . 1 1 83 83 ASN CB C 13 36.9 0.2 . 1 . . . . 83 ASN CB . 15805 1 894 . 1 1 83 83 ASN N N 15 113.0 0.2 . 1 . . . . 83 ASN N . 15805 1 895 . 1 1 83 83 ASN ND2 N 15 111.6 0.2 . 1 . . . . 83 ASN ND2 . 15805 1 896 . 1 1 84 84 VAL H H 1 7.66 0.02 . 1 . . . . 84 VAL H . 15805 1 897 . 1 1 84 84 VAL HA H 1 4.27 0.02 . 1 . . . . 84 VAL HA . 15805 1 898 . 1 1 84 84 VAL HB H 1 1.93 0.02 . 1 . . . . 84 VAL HB . 15805 1 899 . 1 1 84 84 VAL HG11 H 1 0.62 0.02 . 1 . . . . 84 VAL HG1 . 15805 1 900 . 1 1 84 84 VAL HG12 H 1 0.62 0.02 . 1 . . . . 84 VAL HG1 . 15805 1 901 . 1 1 84 84 VAL HG13 H 1 0.62 0.02 . 1 . . . . 84 VAL HG1 . 15805 1 902 . 1 1 84 84 VAL HG21 H 1 0.69 0.02 . 1 . . . . 84 VAL HG2 . 15805 1 903 . 1 1 84 84 VAL HG22 H 1 0.69 0.02 . 1 . . . . 84 VAL HG2 . 15805 1 904 . 1 1 84 84 VAL HG23 H 1 0.69 0.02 . 1 . . . . 84 VAL HG2 . 15805 1 905 . 1 1 84 84 VAL C C 13 175.8 0.2 . 1 . . . . 84 VAL C . 15805 1 906 . 1 1 84 84 VAL CA C 13 61.5 0.2 . 1 . . . . 84 VAL CA . 15805 1 907 . 1 1 84 84 VAL CB C 13 33.5 0.2 . 1 . . . . 84 VAL CB . 15805 1 908 . 1 1 84 84 VAL CG1 C 13 20.8 0.2 . 1 . . . . 84 VAL CG1 . 15805 1 909 . 1 1 84 84 VAL CG2 C 13 22.3 0.2 . 1 . . . . 84 VAL CG2 . 15805 1 910 . 1 1 84 84 VAL N N 15 119.7 0.2 . 1 . . . . 84 VAL N . 15805 1 911 . 1 1 85 85 ARG H H 1 8.18 0.02 . 1 . . . . 85 ARG H . 15805 1 912 . 1 1 85 85 ARG HA H 1 4.87 0.02 . 1 . . . . 85 ARG HA . 15805 1 913 . 1 1 85 85 ARG HB2 H 1 1.17 0.02 . 2 . . . . 85 ARG HB2 . 15805 1 914 . 1 1 85 85 ARG HB3 H 1 1.51 0.02 . 2 . . . . 85 ARG HB3 . 15805 1 915 . 1 1 85 85 ARG HD2 H 1 1.99 0.02 . 2 . . . . 85 ARG HD2 . 15805 1 916 . 1 1 85 85 ARG HD3 H 1 2.35 0.02 . 2 . . . . 85 ARG HD3 . 15805 1 917 . 1 1 85 85 ARG HE H 1 7.05 0.02 . 1 . . . . 85 ARG HE . 15805 1 918 . 1 1 85 85 ARG HG2 H 1 1.19 0.02 . 2 . . . . 85 ARG HG2 . 15805 1 919 . 1 1 85 85 ARG HG3 H 1 1.66 0.02 . 2 . . . . 85 ARG HG3 . 15805 1 920 . 1 1 85 85 ARG C C 13 174.0 0.2 . 1 . . . . 85 ARG C . 15805 1 921 . 1 1 85 85 ARG CA C 13 55.7 0.2 . 1 . . . . 85 ARG CA . 15805 1 922 . 1 1 85 85 ARG CB C 13 32.6 0.2 . 1 . . . . 85 ARG CB . 15805 1 923 . 1 1 85 85 ARG CD C 13 43.4 0.2 . 1 . . . . 85 ARG CD . 15805 1 924 . 1 1 85 85 ARG CG C 13 27.8 0.2 . 1 . . . . 85 ARG CG . 15805 1 925 . 1 1 85 85 ARG N N 15 124.8 0.2 . 1 . . . . 85 ARG N . 15805 1 926 . 1 1 85 85 ARG NE N 15 83.4 0.2 . 1 . . . . 85 ARG NE . 15805 1 927 . 1 1 86 86 VAL H H 1 8.57 0.02 . 1 . . . . 86 VAL H . 15805 1 928 . 1 1 86 86 VAL HA H 1 4.58 0.02 . 1 . . . . 86 VAL HA . 15805 1 929 . 1 1 86 86 VAL HB H 1 0.29 0.02 . 1 . . . . 86 VAL HB . 15805 1 930 . 1 1 86 86 VAL HG11 H 1 0.56 0.02 . 1 . . . . 86 VAL HG1 . 15805 1 931 . 1 1 86 86 VAL HG12 H 1 0.56 0.02 . 1 . . . . 86 VAL HG1 . 15805 1 932 . 1 1 86 86 VAL HG13 H 1 0.56 0.02 . 1 . . . . 86 VAL HG1 . 15805 1 933 . 1 1 86 86 VAL HG21 H 1 0.35 0.02 . 1 . . . . 86 VAL HG2 . 15805 1 934 . 1 1 86 86 VAL HG22 H 1 0.35 0.02 . 1 . . . . 86 VAL HG2 . 15805 1 935 . 1 1 86 86 VAL HG23 H 1 0.35 0.02 . 1 . . . . 86 VAL HG2 . 15805 1 936 . 1 1 86 86 VAL C C 13 175.7 0.2 . 1 . . . . 86 VAL C . 15805 1 937 . 1 1 86 86 VAL CA C 13 61.7 0.2 . 1 . . . . 86 VAL CA . 15805 1 938 . 1 1 86 86 VAL CB C 13 30.9 0.2 . 1 . . . . 86 VAL CB . 15805 1 939 . 1 1 86 86 VAL CG1 C 13 22.7 0.2 . 1 . . . . 86 VAL CG1 . 15805 1 940 . 1 1 86 86 VAL CG2 C 13 21.4 0.2 . 1 . . . . 86 VAL CG2 . 15805 1 941 . 1 1 86 86 VAL N N 15 127.3 0.2 . 1 . . . . 86 VAL N . 15805 1 942 . 1 1 87 87 VAL H H 1 8.79 0.02 . 1 . . . . 87 VAL H . 15805 1 943 . 1 1 87 87 VAL HA H 1 5.01 0.02 . 1 . . . . 87 VAL HA . 15805 1 944 . 1 1 87 87 VAL HB H 1 1.00 0.02 . 1 . . . . 87 VAL HB . 15805 1 945 . 1 1 87 87 VAL HG11 H 1 0.84 0.02 . 1 . . . . 87 VAL HG1 . 15805 1 946 . 1 1 87 87 VAL HG12 H 1 0.84 0.02 . 1 . . . . 87 VAL HG1 . 15805 1 947 . 1 1 87 87 VAL HG13 H 1 0.84 0.02 . 1 . . . . 87 VAL HG1 . 15805 1 948 . 1 1 87 87 VAL HG21 H 1 0.52 0.02 . 1 . . . . 87 VAL HG2 . 15805 1 949 . 1 1 87 87 VAL HG22 H 1 0.52 0.02 . 1 . . . . 87 VAL HG2 . 15805 1 950 . 1 1 87 87 VAL HG23 H 1 0.52 0.02 . 1 . . . . 87 VAL HG2 . 15805 1 951 . 1 1 87 87 VAL C C 13 175.5 0.2 . 1 . . . . 87 VAL C . 15805 1 952 . 1 1 87 87 VAL CA C 13 61.9 0.2 . 1 . . . . 87 VAL CA . 15805 1 953 . 1 1 87 87 VAL CB C 13 36.3 0.2 . 1 . . . . 87 VAL CB . 15805 1 954 . 1 1 87 87 VAL CG1 C 13 23.3 0.2 . 1 . . . . 87 VAL CG1 . 15805 1 955 . 1 1 87 87 VAL CG2 C 13 21.6 0.2 . 1 . . . . 87 VAL CG2 . 15805 1 956 . 1 1 87 87 VAL N N 15 125.7 0.2 . 1 . . . . 87 VAL N . 15805 1 957 . 1 1 88 88 THR H H 1 8.35 0.02 . 1 . . . . 88 THR H . 15805 1 958 . 1 1 88 88 THR HA H 1 4.62 0.02 . 1 . . . . 88 THR HA . 15805 1 959 . 1 1 88 88 THR HB H 1 3.59 0.02 . 1 . . . . 88 THR HB . 15805 1 960 . 1 1 88 88 THR HG1 H 1 5.26 0.02 . 1 . . . . 88 THR HG1 . 15805 1 961 . 1 1 88 88 THR HG21 H 1 -0.16 0.02 . 1 . . . . 88 THR HG2 . 15805 1 962 . 1 1 88 88 THR HG22 H 1 -0.16 0.02 . 1 . . . . 88 THR HG2 . 15805 1 963 . 1 1 88 88 THR HG23 H 1 -0.16 0.02 . 1 . . . . 88 THR HG2 . 15805 1 964 . 1 1 88 88 THR C C 13 173.3 0.2 . 1 . . . . 88 THR C . 15805 1 965 . 1 1 88 88 THR CA C 13 61.7 0.2 . 1 . . . . 88 THR CA . 15805 1 966 . 1 1 88 88 THR CB C 13 70.4 0.2 . 1 . . . . 88 THR CB . 15805 1 967 . 1 1 88 88 THR CG2 C 13 17.9 0.2 . 1 . . . . 88 THR CG2 . 15805 1 968 . 1 1 88 88 THR N N 15 117.5 0.2 . 1 . . . . 88 THR N . 15805 1 969 . 1 1 89 89 ASP H H 1 7.70 0.02 . 1 . . . . 89 ASP H . 15805 1 970 . 1 1 89 89 ASP HA H 1 4.48 0.02 . 1 . . . . 89 ASP HA . 15805 1 971 . 1 1 89 89 ASP HB2 H 1 2.61 0.02 . 2 . . . . 89 ASP HB2 . 15805 1 972 . 1 1 89 89 ASP HB3 H 1 2.66 0.02 . 2 . . . . 89 ASP HB3 . 15805 1 973 . 1 1 89 89 ASP C C 13 175.9 0.2 . 1 . . . . 89 ASP C . 15805 1 974 . 1 1 89 89 ASP CA C 13 55.9 0.2 . 1 . . . . 89 ASP CA . 15805 1 975 . 1 1 89 89 ASP CB C 13 43.9 0.2 . 1 . . . . 89 ASP CB . 15805 1 976 . 1 1 89 89 ASP N N 15 120.8 0.2 . 1 . . . . 89 ASP N . 15805 1 977 . 1 1 90 90 TYR H H 1 8.24 0.02 . 1 . . . . 90 TYR H . 15805 1 978 . 1 1 90 90 TYR HA H 1 3.92 0.02 . 1 . . . . 90 TYR HA . 15805 1 979 . 1 1 90 90 TYR HB2 H 1 2.57 0.02 . 2 . . . . 90 TYR HB2 . 15805 1 980 . 1 1 90 90 TYR HB3 H 1 2.72 0.02 . 2 . . . . 90 TYR HB3 . 15805 1 981 . 1 1 90 90 TYR HD1 H 1 6.84 0.02 . 3 . . . . 90 TYR HD1 . 15805 1 982 . 1 1 90 90 TYR HE1 H 1 6.76 0.02 . 3 . . . . 90 TYR HE1 . 15805 1 983 . 1 1 90 90 TYR C C 13 176.4 0.2 . 1 . . . . 90 TYR C . 15805 1 984 . 1 1 90 90 TYR CA C 13 62.3 0.2 . 1 . . . . 90 TYR CA . 15805 1 985 . 1 1 90 90 TYR CB C 13 39.5 0.2 . 1 . . . . 90 TYR CB . 15805 1 986 . 1 1 90 90 TYR CD1 C 13 133.0 0.2 . 3 . . . . 90 TYR CD1 . 15805 1 987 . 1 1 90 90 TYR CE1 C 13 118.4 0.2 . 3 . . . . 90 TYR CE1 . 15805 1 988 . 1 1 90 90 TYR N N 15 126.1 0.2 . 1 . . . . 90 TYR N . 15805 1 989 . 1 1 91 91 SER H H 1 9.16 0.02 . 1 . . . . 91 SER H . 15805 1 990 . 1 1 91 91 SER HA H 1 4.00 0.02 . 1 . . . . 91 SER HA . 15805 1 991 . 1 1 91 91 SER HB2 H 1 3.89 0.02 . 2 . . . . 91 SER HB2 . 15805 1 992 . 1 1 91 91 SER HB3 H 1 4.04 0.02 . 2 . . . . 91 SER HB3 . 15805 1 993 . 1 1 91 91 SER C C 13 178.0 0.2 . 1 . . . . 91 SER C . 15805 1 994 . 1 1 91 91 SER CA C 13 62.6 0.2 . 1 . . . . 91 SER CA . 15805 1 995 . 1 1 91 91 SER CB C 13 62.2 0.2 . 1 . . . . 91 SER CB . 15805 1 996 . 1 1 91 91 SER N N 15 116.6 0.2 . 1 . . . . 91 SER N . 15805 1 997 . 1 1 92 92 GLU H H 1 8.59 0.02 . 1 . . . . 92 GLU H . 15805 1 998 . 1 1 92 92 GLU HA H 1 4.05 0.02 . 1 . . . . 92 GLU HA . 15805 1 999 . 1 1 92 92 GLU HB2 H 1 1.87 0.02 . 2 . . . . 92 GLU HB2 . 15805 1 1000 . 1 1 92 92 GLU HB3 H 1 2.08 0.02 . 2 . . . . 92 GLU HB3 . 15805 1 1001 . 1 1 92 92 GLU HG2 H 1 2.35 0.02 . 2 . . . . 92 GLU HG2 . 15805 1 1002 . 1 1 92 92 GLU HG3 H 1 2.43 0.02 . 2 . . . . 92 GLU HG3 . 15805 1 1003 . 1 1 92 92 GLU C C 13 179.4 0.2 . 1 . . . . 92 GLU C . 15805 1 1004 . 1 1 92 92 GLU CA C 13 58.9 0.2 . 1 . . . . 92 GLU CA . 15805 1 1005 . 1 1 92 92 GLU CB C 13 30.6 0.2 . 1 . . . . 92 GLU CB . 15805 1 1006 . 1 1 92 92 GLU CG C 13 36.2 0.2 . 1 . . . . 92 GLU CG . 15805 1 1007 . 1 1 92 92 GLU N N 15 120.2 0.2 . 1 . . . . 92 GLU N . 15805 1 1008 . 1 1 93 93 PHE H H 1 7.87 0.02 . 1 . . . . 93 PHE H . 15805 1 1009 . 1 1 93 93 PHE HA H 1 4.05 0.02 . 1 . . . . 93 PHE HA . 15805 1 1010 . 1 1 93 93 PHE HB2 H 1 2.82 0.02 . 2 . . . . 93 PHE HB2 . 15805 1 1011 . 1 1 93 93 PHE HB3 H 1 2.86 0.02 . 2 . . . . 93 PHE HB3 . 15805 1 1012 . 1 1 93 93 PHE HD1 H 1 6.87 0.02 . 3 . . . . 93 PHE HD1 . 15805 1 1013 . 1 1 93 93 PHE HE1 H 1 6.94 0.02 . 3 . . . . 93 PHE HE1 . 15805 1 1014 . 1 1 93 93 PHE HZ H 1 6.01 0.02 . 1 . . . . 93 PHE HZ . 15805 1 1015 . 1 1 93 93 PHE C C 13 176.5 0.2 . 1 . . . . 93 PHE C . 15805 1 1016 . 1 1 93 93 PHE CA C 13 62.2 0.2 . 1 . . . . 93 PHE CA . 15805 1 1017 . 1 1 93 93 PHE CB C 13 39.7 0.2 . 1 . . . . 93 PHE CB . 15805 1 1018 . 1 1 93 93 PHE CD1 C 13 131.4 0.2 . 3 . . . . 93 PHE CD1 . 15805 1 1019 . 1 1 93 93 PHE CE1 C 13 131.4 0.2 . 3 . . . . 93 PHE CE1 . 15805 1 1020 . 1 1 93 93 PHE CZ C 13 129.7 0.2 . 1 . . . . 93 PHE CZ . 15805 1 1021 . 1 1 93 93 PHE N N 15 120.2 0.2 . 1 . . . . 93 PHE N . 15805 1 1022 . 1 1 94 94 GLN H H 1 8.19 0.02 . 1 . . . . 94 GLN H . 15805 1 1023 . 1 1 94 94 GLN HA H 1 3.39 0.02 . 1 . . . . 94 GLN HA . 15805 1 1024 . 1 1 94 94 GLN HB2 H 1 1.75 0.02 . 2 . . . . 94 GLN HB2 . 15805 1 1025 . 1 1 94 94 GLN HB3 H 1 1.80 0.02 . 2 . . . . 94 GLN HB3 . 15805 1 1026 . 1 1 94 94 GLN HE21 H 1 6.20 0.02 . 2 . . . . 94 GLN HE21 . 15805 1 1027 . 1 1 94 94 GLN HE22 H 1 6.66 0.02 . 2 . . . . 94 GLN HE22 . 15805 1 1028 . 1 1 94 94 GLN HG2 H 1 1.77 0.02 . 2 . . . . 94 GLN HG2 . 15805 1 1029 . 1 1 94 94 GLN HG3 H 1 1.87 0.02 . 2 . . . . 94 GLN HG3 . 15805 1 1030 . 1 1 94 94 GLN C C 13 178.6 0.2 . 1 . . . . 94 GLN C . 15805 1 1031 . 1 1 94 94 GLN CA C 13 58.8 0.2 . 1 . . . . 94 GLN CA . 15805 1 1032 . 1 1 94 94 GLN CB C 13 28.4 0.2 . 1 . . . . 94 GLN CB . 15805 1 1033 . 1 1 94 94 GLN CG C 13 33.6 0.2 . 1 . . . . 94 GLN CG . 15805 1 1034 . 1 1 94 94 GLN N N 15 116.8 0.2 . 1 . . . . 94 GLN N . 15805 1 1035 . 1 1 94 94 GLN NE2 N 15 110.6 0.2 . 1 . . . . 94 GLN NE2 . 15805 1 1036 . 1 1 95 95 LYS H H 1 7.06 0.02 . 1 . . . . 95 LYS H . 15805 1 1037 . 1 1 95 95 LYS HA H 1 3.78 0.02 . 1 . . . . 95 LYS HA . 15805 1 1038 . 1 1 95 95 LYS HB2 H 1 1.80 0.02 . 2 . . . . 95 LYS HB2 . 15805 1 1039 . 1 1 95 95 LYS HB3 H 1 1.85 0.02 . 2 . . . . 95 LYS HB3 . 15805 1 1040 . 1 1 95 95 LYS HD2 H 1 1.60 0.02 . 2 . . . . 95 LYS HD2 . 15805 1 1041 . 1 1 95 95 LYS HD3 H 1 1.64 0.02 . 2 . . . . 95 LYS HD3 . 15805 1 1042 . 1 1 95 95 LYS HE2 H 1 2.85 0.02 . 2 . . . . 95 LYS HE2 . 15805 1 1043 . 1 1 95 95 LYS HE3 H 1 2.86 0.02 . 2 . . . . 95 LYS HE3 . 15805 1 1044 . 1 1 95 95 LYS HG2 H 1 1.29 0.02 . 2 . . . . 95 LYS HG2 . 15805 1 1045 . 1 1 95 95 LYS HG3 H 1 1.57 0.02 . 2 . . . . 95 LYS HG3 . 15805 1 1046 . 1 1 95 95 LYS C C 13 179.3 0.2 . 1 . . . . 95 LYS C . 15805 1 1047 . 1 1 95 95 LYS CA C 13 59.9 0.2 . 1 . . . . 95 LYS CA . 15805 1 1048 . 1 1 95 95 LYS CB C 13 32.7 0.2 . 1 . . . . 95 LYS CB . 15805 1 1049 . 1 1 95 95 LYS CD C 13 29.8 0.2 . 1 . . . . 95 LYS CD . 15805 1 1050 . 1 1 95 95 LYS CE C 13 42.3 0.2 . 1 . . . . 95 LYS CE . 15805 1 1051 . 1 1 95 95 LYS CG C 13 25.6 0.2 . 1 . . . . 95 LYS CG . 15805 1 1052 . 1 1 95 95 LYS N N 15 117.5 0.2 . 1 . . . . 95 LYS N . 15805 1 1053 . 1 1 96 96 ILE H H 1 7.24 0.02 . 1 . . . . 96 ILE H . 15805 1 1054 . 1 1 96 96 ILE HA H 1 3.42 0.02 . 1 . . . . 96 ILE HA . 15805 1 1055 . 1 1 96 96 ILE HB H 1 1.67 0.02 . 1 . . . . 96 ILE HB . 15805 1 1056 . 1 1 96 96 ILE HD11 H 1 0.73 0.02 . 1 . . . . 96 ILE HD1 . 15805 1 1057 . 1 1 96 96 ILE HD12 H 1 0.73 0.02 . 1 . . . . 96 ILE HD1 . 15805 1 1058 . 1 1 96 96 ILE HD13 H 1 0.73 0.02 . 1 . . . . 96 ILE HD1 . 15805 1 1059 . 1 1 96 96 ILE HG12 H 1 1.11 0.02 . 2 . . . . 96 ILE HG12 . 15805 1 1060 . 1 1 96 96 ILE HG13 H 1 1.45 0.02 . 2 . . . . 96 ILE HG13 . 15805 1 1061 . 1 1 96 96 ILE HG21 H 1 0.31 0.02 . 1 . . . . 96 ILE HG2 . 15805 1 1062 . 1 1 96 96 ILE HG22 H 1 0.31 0.02 . 1 . . . . 96 ILE HG2 . 15805 1 1063 . 1 1 96 96 ILE HG23 H 1 0.31 0.02 . 1 . . . . 96 ILE HG2 . 15805 1 1064 . 1 1 96 96 ILE C C 13 177.8 0.2 . 1 . . . . 96 ILE C . 15805 1 1065 . 1 1 96 96 ILE CA C 13 64.3 0.2 . 1 . . . . 96 ILE CA . 15805 1 1066 . 1 1 96 96 ILE CB C 13 37.4 0.2 . 1 . . . . 96 ILE CB . 15805 1 1067 . 1 1 96 96 ILE CD1 C 13 13.3 0.2 . 1 . . . . 96 ILE CD1 . 15805 1 1068 . 1 1 96 96 ILE CG1 C 13 28.7 0.2 . 1 . . . . 96 ILE CG1 . 15805 1 1069 . 1 1 96 96 ILE CG2 C 13 17.2 0.2 . 1 . . . . 96 ILE CG2 . 15805 1 1070 . 1 1 96 96 ILE N N 15 120.7 0.2 . 1 . . . . 96 ILE N . 15805 1 1071 . 1 1 97 97 LEU H H 1 7.69 0.02 . 1 . . . . 97 LEU H . 15805 1 1072 . 1 1 97 97 LEU HA H 1 3.58 0.02 . 1 . . . . 97 LEU HA . 15805 1 1073 . 1 1 97 97 LEU HB2 H 1 1.12 0.02 . 2 . . . . 97 LEU HB2 . 15805 1 1074 . 1 1 97 97 LEU HB3 H 1 1.23 0.02 . 2 . . . . 97 LEU HB3 . 15805 1 1075 . 1 1 97 97 LEU HD11 H 1 0.64 0.02 . 1 . . . . 97 LEU HD1 . 15805 1 1076 . 1 1 97 97 LEU HD12 H 1 0.64 0.02 . 1 . . . . 97 LEU HD1 . 15805 1 1077 . 1 1 97 97 LEU HD13 H 1 0.64 0.02 . 1 . . . . 97 LEU HD1 . 15805 1 1078 . 1 1 97 97 LEU HD21 H 1 0.61 0.02 . 1 . . . . 97 LEU HD2 . 15805 1 1079 . 1 1 97 97 LEU HD22 H 1 0.61 0.02 . 1 . . . . 97 LEU HD2 . 15805 1 1080 . 1 1 97 97 LEU HD23 H 1 0.61 0.02 . 1 . . . . 97 LEU HD2 . 15805 1 1081 . 1 1 97 97 LEU HG H 1 0.97 0.02 . 1 . . . . 97 LEU HG . 15805 1 1082 . 1 1 97 97 LEU C C 13 179.9 0.2 . 1 . . . . 97 LEU C . 15805 1 1083 . 1 1 97 97 LEU CA C 13 58.1 0.2 . 1 . . . . 97 LEU CA . 15805 1 1084 . 1 1 97 97 LEU CB C 13 41.5 0.2 . 1 . . . . 97 LEU CB . 15805 1 1085 . 1 1 97 97 LEU CD1 C 13 25.4 0.2 . 1 . . . . 97 LEU CD1 . 15805 1 1086 . 1 1 97 97 LEU CD2 C 13 23.9 0.2 . 1 . . . . 97 LEU CD2 . 15805 1 1087 . 1 1 97 97 LEU CG C 13 26.3 0.2 . 1 . . . . 97 LEU CG . 15805 1 1088 . 1 1 97 97 LEU N N 15 120.0 0.2 . 1 . . . . 97 LEU N . 15805 1 1089 . 1 1 98 98 LYS H H 1 7.51 0.02 . 1 . . . . 98 LYS H . 15805 1 1090 . 1 1 98 98 LYS HA H 1 3.95 0.02 . 1 . . . . 98 LYS HA . 15805 1 1091 . 1 1 98 98 LYS HB2 H 1 1.75 0.02 . 2 . . . . 98 LYS HB2 . 15805 1 1092 . 1 1 98 98 LYS HB3 H 1 1.79 0.02 . 2 . . . . 98 LYS HB3 . 15805 1 1093 . 1 1 98 98 LYS HD2 H 1 1.55 0.02 . 2 . . . . 98 LYS HD2 . 15805 1 1094 . 1 1 98 98 LYS HD3 H 1 1.58 0.02 . 2 . . . . 98 LYS HD3 . 15805 1 1095 . 1 1 98 98 LYS HE2 H 1 2.87 0.02 . 2 . . . . 98 LYS HE2 . 15805 1 1096 . 1 1 98 98 LYS HE3 H 1 2.89 0.02 . 2 . . . . 98 LYS HE3 . 15805 1 1097 . 1 1 98 98 LYS HG2 H 1 1.35 0.02 . 2 . . . . 98 LYS HG2 . 15805 1 1098 . 1 1 98 98 LYS HG3 H 1 1.43 0.02 . 2 . . . . 98 LYS HG3 . 15805 1 1099 . 1 1 98 98 LYS C C 13 178.7 0.2 . 1 . . . . 98 LYS C . 15805 1 1100 . 1 1 98 98 LYS CA C 13 58.7 0.2 . 1 . . . . 98 LYS CA . 15805 1 1101 . 1 1 98 98 LYS CB C 13 32.5 0.2 . 1 . . . . 98 LYS CB . 15805 1 1102 . 1 1 98 98 LYS CD C 13 29.1 0.2 . 1 . . . . 98 LYS CD . 15805 1 1103 . 1 1 98 98 LYS CE C 13 42.5 0.2 . 1 . . . . 98 LYS CE . 15805 1 1104 . 1 1 98 98 LYS CG C 13 25.3 0.2 . 1 . . . . 98 LYS CG . 15805 1 1105 . 1 1 98 98 LYS N N 15 117.3 0.2 . 1 . . . . 98 LYS N . 15805 1 1106 . 1 1 99 99 LYS H H 1 7.47 0.02 . 1 . . . . 99 LYS H . 15805 1 1107 . 1 1 99 99 LYS HA H 1 4.08 0.02 . 1 . . . . 99 LYS HA . 15805 1 1108 . 1 1 99 99 LYS HB2 H 1 1.79 0.02 . 2 . . . . 99 LYS HB2 . 15805 1 1109 . 1 1 99 99 LYS HB3 H 1 1.82 0.02 . 2 . . . . 99 LYS HB3 . 15805 1 1110 . 1 1 99 99 LYS HD2 H 1 1.57 0.02 . 2 . . . . 99 LYS HD2 . 15805 1 1111 . 1 1 99 99 LYS HD3 H 1 1.59 0.02 . 2 . . . . 99 LYS HD3 . 15805 1 1112 . 1 1 99 99 LYS HE2 H 1 2.86 0.02 . 2 . . . . 99 LYS HE2 . 15805 1 1113 . 1 1 99 99 LYS HE3 H 1 2.88 0.02 . 2 . . . . 99 LYS HE3 . 15805 1 1114 . 1 1 99 99 LYS HG2 H 1 1.37 0.02 . 2 . . . . 99 LYS HG2 . 15805 1 1115 . 1 1 99 99 LYS HG3 H 1 1.45 0.02 . 2 . . . . 99 LYS HG3 . 15805 1 1116 . 1 1 99 99 LYS C C 13 178.1 0.2 . 1 . . . . 99 LYS C . 15805 1 1117 . 1 1 99 99 LYS CA C 13 58.4 0.2 . 1 . . . . 99 LYS CA . 15805 1 1118 . 1 1 99 99 LYS CB C 13 33.0 0.2 . 1 . . . . 99 LYS CB . 15805 1 1119 . 1 1 99 99 LYS CD C 13 29.4 0.2 . 1 . . . . 99 LYS CD . 15805 1 1120 . 1 1 99 99 LYS CE C 13 42.4 0.2 . 1 . . . . 99 LYS CE . 15805 1 1121 . 1 1 99 99 LYS CG C 13 25.3 0.2 . 1 . . . . 99 LYS CG . 15805 1 1122 . 1 1 99 99 LYS N N 15 119.0 0.2 . 1 . . . . 99 LYS N . 15805 1 1123 . 1 1 100 100 ARG H H 1 8.02 0.02 . 1 . . . . 100 ARG H . 15805 1 1124 . 1 1 100 100 ARG HA H 1 4.21 0.02 . 1 . . . . 100 ARG HA . 15805 1 1125 . 1 1 100 100 ARG HB2 H 1 1.60 0.02 . 2 . . . . 100 ARG HB2 . 15805 1 1126 . 1 1 100 100 ARG HB3 H 1 1.89 0.02 . 2 . . . . 100 ARG HB3 . 15805 1 1127 . 1 1 100 100 ARG HD2 H 1 2.90 0.02 . 2 . . . . 100 ARG HD2 . 15805 1 1128 . 1 1 100 100 ARG HD3 H 1 3.00 0.02 . 2 . . . . 100 ARG HD3 . 15805 1 1129 . 1 1 100 100 ARG HG2 H 1 1.32 0.02 . 2 . . . . 100 ARG HG2 . 15805 1 1130 . 1 1 100 100 ARG HG3 H 1 1.51 0.02 . 2 . . . . 100 ARG HG3 . 15805 1 1131 . 1 1 100 100 ARG C C 13 177.5 0.2 . 1 . . . . 100 ARG C . 15805 1 1132 . 1 1 100 100 ARG CA C 13 56.7 0.2 . 1 . . . . 100 ARG CA . 15805 1 1133 . 1 1 100 100 ARG CB C 13 30.5 0.2 . 1 . . . . 100 ARG CB . 15805 1 1134 . 1 1 100 100 ARG CD C 13 42.9 0.2 . 1 . . . . 100 ARG CD . 15805 1 1135 . 1 1 100 100 ARG CG C 13 27.2 0.2 . 1 . . . . 100 ARG CG . 15805 1 1136 . 1 1 100 100 ARG N N 15 117.3 0.2 . 1 . . . . 100 ARG N . 15805 1 1137 . 1 1 101 101 GLY H H 1 7.91 0.02 . 1 . . . . 101 GLY H . 15805 1 1138 . 1 1 101 101 GLY HA2 H 1 3.98 0.02 . 2 . . . . 101 GLY HA2 . 15805 1 1139 . 1 1 101 101 GLY HA3 H 1 4.02 0.02 . 2 . . . . 101 GLY HA3 . 15805 1 1140 . 1 1 101 101 GLY C C 13 174.4 0.2 . 1 . . . . 101 GLY C . 15805 1 1141 . 1 1 101 101 GLY CA C 13 46.0 0.2 . 1 . . . . 101 GLY CA . 15805 1 1142 . 1 1 101 101 GLY N N 15 108.0 0.2 . 1 . . . . 101 GLY N . 15805 1 1143 . 1 1 102 102 THR H H 1 7.88 0.02 . 1 . . . . 102 THR H . 15805 1 1144 . 1 1 102 102 THR HA H 1 4.36 0.02 . 1 . . . . 102 THR HA . 15805 1 1145 . 1 1 102 102 THR HB H 1 4.19 0.02 . 1 . . . . 102 THR HB . 15805 1 1146 . 1 1 102 102 THR HG21 H 1 1.22 0.02 . 1 . . . . 102 THR HG2 . 15805 1 1147 . 1 1 102 102 THR HG22 H 1 1.22 0.02 . 1 . . . . 102 THR HG2 . 15805 1 1148 . 1 1 102 102 THR HG23 H 1 1.22 0.02 . 1 . . . . 102 THR HG2 . 15805 1 1149 . 1 1 102 102 THR C C 13 174.4 0.2 . 1 . . . . 102 THR C . 15805 1 1150 . 1 1 102 102 THR CA C 13 62.1 0.2 . 1 . . . . 102 THR CA . 15805 1 1151 . 1 1 102 102 THR CB C 13 70.5 0.2 . 1 . . . . 102 THR CB . 15805 1 1152 . 1 1 102 102 THR CG2 C 13 21.9 0.2 . 1 . . . . 102 THR CG2 . 15805 1 1153 . 1 1 102 102 THR N N 15 113.9 0.2 . 1 . . . . 102 THR N . 15805 1 1154 . 1 1 103 103 LYS H H 1 8.44 0.02 . 1 . . . . 103 LYS H . 15805 1 1155 . 1 1 103 103 LYS C C 13 176.4 0.2 . 1 . . . . 103 LYS C . 15805 1 1156 . 1 1 103 103 LYS CA C 13 56.6 0.2 . 1 . . . . 103 LYS CA . 15805 1 1157 . 1 1 103 103 LYS CB C 13 33.3 0.2 . 1 . . . . 103 LYS CB . 15805 1 1158 . 1 1 103 103 LYS N N 15 124.0 0.2 . 1 . . . . 103 LYS N . 15805 1 1159 . 1 1 104 104 LEU H H 1 8.18 0.02 . 1 . . . . 104 LEU H . 15805 1 1160 . 1 1 104 104 LEU HA H 1 4.27 0.02 . 1 . . . . 104 LEU HA . 15805 1 1161 . 1 1 104 104 LEU HB2 H 1 1.48 0.02 . 2 . . . . 104 LEU HB2 . 15805 1 1162 . 1 1 104 104 LEU HB3 H 1 1.52 0.02 . 2 . . . . 104 LEU HB3 . 15805 1 1163 . 1 1 104 104 LEU HD11 H 1 0.84 0.02 . 1 . . . . 104 LEU HD1 . 15805 1 1164 . 1 1 104 104 LEU HD12 H 1 0.84 0.02 . 1 . . . . 104 LEU HD1 . 15805 1 1165 . 1 1 104 104 LEU HD13 H 1 0.84 0.02 . 1 . . . . 104 LEU HD1 . 15805 1 1166 . 1 1 104 104 LEU HD21 H 1 0.79 0.02 . 1 . . . . 104 LEU HD2 . 15805 1 1167 . 1 1 104 104 LEU HD22 H 1 0.79 0.02 . 1 . . . . 104 LEU HD2 . 15805 1 1168 . 1 1 104 104 LEU HD23 H 1 0.79 0.02 . 1 . . . . 104 LEU HD2 . 15805 1 1169 . 1 1 104 104 LEU HG H 1 1.50 0.02 . 1 . . . . 104 LEU HG . 15805 1 1170 . 1 1 104 104 LEU C C 13 177.1 0.2 . 1 . . . . 104 LEU C . 15805 1 1171 . 1 1 104 104 LEU CA C 13 55.5 0.2 . 1 . . . . 104 LEU CA . 15805 1 1172 . 1 1 104 104 LEU CB C 13 42.5 0.2 . 1 . . . . 104 LEU CB . 15805 1 1173 . 1 1 104 104 LEU CD1 C 13 25.2 0.2 . 1 . . . . 104 LEU CD1 . 15805 1 1174 . 1 1 104 104 LEU CD2 C 13 24.0 0.2 . 1 . . . . 104 LEU CD2 . 15805 1 1175 . 1 1 104 104 LEU CG C 13 27.2 0.2 . 1 . . . . 104 LEU CG . 15805 1 1176 . 1 1 104 104 LEU N N 15 123.5 0.2 . 1 . . . . 104 LEU N . 15805 1 1177 . 1 1 105 105 GLU H H 1 8.27 0.02 . 1 . . . . 105 GLU H . 15805 1 1178 . 1 1 105 105 GLU CA C 13 56.7 0.2 . 1 . . . . 105 GLU CA . 15805 1 1179 . 1 1 105 105 GLU CB C 13 30.8 0.2 . 1 . . . . 105 GLU CB . 15805 1 1180 . 1 1 105 105 GLU N N 15 121.7 0.2 . 1 . . . . 105 GLU N . 15805 1 stop_ save_