data_15834 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15834 _Entry.Title ; Solution NMR structure of FeoA protein from Chlorobium tepidum. Northeast Structural Genomics Consortium target CtR121 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-27 _Entry.Accession_date 2008-06-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexander Eletsky . . . 15834 2 Bharathwaj Sathyamoorthy . . . 15834 3 Jeffrey Mills . L. . 15834 4 Ana Zeri . . . 15834 5 Li Zhao . . . 15834 6 Keith Hamilton . . . 15834 7 Erica Foote . L. . 15834 8 Rong Xiao . . . 15834 9 Rajesh Nair . . . 15834 10 Michael Baran . C. . 15834 11 G. Swapna . V.T . 15834 12 Thomas Acton . B. . 15834 13 Burkhard Rost . . . 15834 14 Gaetano Montelione . T. . 15834 15 Thomas Szyperski . . . 15834 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' . 15834 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha+beta . 15834 GFT . 15834 SH3-like . 15834 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15834 coupling_constants 1 15834 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 15834 '15N chemical shifts' 104 15834 '1H chemical shifts' 682 15834 'coupling constants' 68 15834 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-06-27 update BMRB 'edit assembly name' 15834 1 . . 2008-07-24 2008-06-27 original author 'original release' 15834 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K5F 'BMRB Entry Tracking System' 15834 TargetDB CtR121 . 15834 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15834 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of FeoA protein from Chlorobium tepidum. Northeast Structural Genomics Consortium target CtR121' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Genet.' _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 Alexander Eletsky . . . 15834 1 2 Bharathwaj Sathyamoorthy . . . 15834 1 3 Jeffrey Mills . L. . 15834 1 4 Ana Zeri . . . 15834 1 5 Li Zhao . . . 15834 1 6 Keith Hamilton . . . 15834 1 7 Erica Foote . L. . 15834 1 8 Rong Xiao . . . 15834 1 9 Rajesh Nair . . . 15834 1 10 Michael Baran . C. . 15834 1 11 G. Swapna . V.T . 15834 1 12 Thomas Acton . B. . 15834 1 13 Burkhard Rost . L. . 15834 1 14 Gaetano Montelione . T. . 15834 1 15 Thomas Szyperski . . . 15834 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15834 _Assembly.ID 1 _Assembly.Name FeoA_protein _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FeoA_protein 1 $FeoA_protein A . yes native no no . . . 15834 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FeoA_protein _Entity.Sf_category entity _Entity.Sf_framecode FeoA_protein _Entity.Entry_ID 15834 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FeoA_protein _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 ; MKLSELKAGDRAEVTSVAAE PAVRRRLMDLGLVRGAKLKV LRFAPLGDPIEVNCNGMLLT MRRNEAEGITVHILAGDEGH PHGWPGFRRRHRFGKRALEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '8-residue C-terminal 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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11872.900 _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 2K5F . "Solution Nmr Structure Of Feoa Protein From Chlorobium Tepidum. Northeast Structural Genomics Consortium Target Ctr121" . . . . . 100.00 105 100.00 100.00 1.09e-67 . . . . 15834 1 2 no GB AAM71305 . "ferrous iron transport protein A [Chlorobium tepidum TLS]" . . . . . 92.38 97 100.00 100.00 1.58e-61 . . . . 15834 1 3 no REF NP_660963 . "ferrous iron transport protein A [Chlorobium tepidum TLS]" . . . . . 92.38 97 100.00 100.00 1.58e-61 . . . . 15834 1 4 no REF WP_010931751 . "iron transporter FeoA [Chlorobaculum tepidum]" . . . . . 92.38 97 100.00 100.00 1.58e-61 . . . . 15834 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 . 15834 1 2 . LYS . 15834 1 3 . LEU . 15834 1 4 . SER . 15834 1 5 . GLU . 15834 1 6 . LEU . 15834 1 7 . LYS . 15834 1 8 . ALA . 15834 1 9 . GLY . 15834 1 10 . ASP . 15834 1 11 . ARG . 15834 1 12 . ALA . 15834 1 13 . GLU . 15834 1 14 . VAL . 15834 1 15 . THR . 15834 1 16 . SER . 15834 1 17 . VAL . 15834 1 18 . ALA . 15834 1 19 . ALA . 15834 1 20 . GLU . 15834 1 21 . PRO . 15834 1 22 . ALA . 15834 1 23 . VAL . 15834 1 24 . ARG . 15834 1 25 . ARG . 15834 1 26 . ARG . 15834 1 27 . LEU . 15834 1 28 . MET . 15834 1 29 . ASP . 15834 1 30 . LEU . 15834 1 31 . GLY . 15834 1 32 . LEU . 15834 1 33 . VAL . 15834 1 34 . ARG . 15834 1 35 . GLY . 15834 1 36 . ALA . 15834 1 37 . LYS . 15834 1 38 . LEU . 15834 1 39 . LYS . 15834 1 40 . VAL . 15834 1 41 . LEU . 15834 1 42 . ARG . 15834 1 43 . PHE . 15834 1 44 . ALA . 15834 1 45 . PRO . 15834 1 46 . LEU . 15834 1 47 . GLY . 15834 1 48 . ASP . 15834 1 49 . PRO . 15834 1 50 . ILE . 15834 1 51 . GLU . 15834 1 52 . VAL . 15834 1 53 . ASN . 15834 1 54 . CYS . 15834 1 55 . ASN . 15834 1 56 . GLY . 15834 1 57 . MET . 15834 1 58 . LEU . 15834 1 59 . LEU . 15834 1 60 . THR . 15834 1 61 . MET . 15834 1 62 . ARG . 15834 1 63 . ARG . 15834 1 64 . ASN . 15834 1 65 . GLU . 15834 1 66 . ALA . 15834 1 67 . GLU . 15834 1 68 . GLY . 15834 1 69 . ILE . 15834 1 70 . THR . 15834 1 71 . VAL . 15834 1 72 . HIS . 15834 1 73 . ILE . 15834 1 74 . LEU . 15834 1 75 . ALA . 15834 1 76 . GLY . 15834 1 77 . ASP . 15834 1 78 . GLU . 15834 1 79 . GLY . 15834 1 80 . HIS . 15834 1 81 . PRO . 15834 1 82 . HIS . 15834 1 83 . GLY . 15834 1 84 . TRP . 15834 1 85 . PRO . 15834 1 86 . GLY . 15834 1 87 . PHE . 15834 1 88 . ARG . 15834 1 89 . ARG . 15834 1 90 . ARG . 15834 1 91 . HIS . 15834 1 92 . ARG . 15834 1 93 . PHE . 15834 1 94 . GLY . 15834 1 95 . LYS . 15834 1 96 . ARG . 15834 1 97 . ALA . 15834 1 98 . LEU . 15834 1 99 . GLU . 15834 1 100 . HIS . 15834 1 101 . HIS . 15834 1 102 . HIS . 15834 1 103 . HIS . 15834 1 104 . HIS . 15834 1 105 . HIS . 15834 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 15834 1 . LYS 2 2 15834 1 . LEU 3 3 15834 1 . SER 4 4 15834 1 . GLU 5 5 15834 1 . LEU 6 6 15834 1 . LYS 7 7 15834 1 . ALA 8 8 15834 1 . GLY 9 9 15834 1 . ASP 10 10 15834 1 . ARG 11 11 15834 1 . ALA 12 12 15834 1 . GLU 13 13 15834 1 . VAL 14 14 15834 1 . THR 15 15 15834 1 . SER 16 16 15834 1 . VAL 17 17 15834 1 . ALA 18 18 15834 1 . ALA 19 19 15834 1 . GLU 20 20 15834 1 . PRO 21 21 15834 1 . ALA 22 22 15834 1 . VAL 23 23 15834 1 . ARG 24 24 15834 1 . ARG 25 25 15834 1 . ARG 26 26 15834 1 . LEU 27 27 15834 1 . MET 28 28 15834 1 . ASP 29 29 15834 1 . LEU 30 30 15834 1 . GLY 31 31 15834 1 . LEU 32 32 15834 1 . VAL 33 33 15834 1 . ARG 34 34 15834 1 . GLY 35 35 15834 1 . ALA 36 36 15834 1 . LYS 37 37 15834 1 . LEU 38 38 15834 1 . LYS 39 39 15834 1 . VAL 40 40 15834 1 . LEU 41 41 15834 1 . ARG 42 42 15834 1 . PHE 43 43 15834 1 . ALA 44 44 15834 1 . PRO 45 45 15834 1 . LEU 46 46 15834 1 . GLY 47 47 15834 1 . ASP 48 48 15834 1 . PRO 49 49 15834 1 . ILE 50 50 15834 1 . GLU 51 51 15834 1 . VAL 52 52 15834 1 . ASN 53 53 15834 1 . CYS 54 54 15834 1 . ASN 55 55 15834 1 . GLY 56 56 15834 1 . MET 57 57 15834 1 . LEU 58 58 15834 1 . LEU 59 59 15834 1 . THR 60 60 15834 1 . MET 61 61 15834 1 . ARG 62 62 15834 1 . ARG 63 63 15834 1 . ASN 64 64 15834 1 . GLU 65 65 15834 1 . ALA 66 66 15834 1 . GLU 67 67 15834 1 . GLY 68 68 15834 1 . ILE 69 69 15834 1 . THR 70 70 15834 1 . VAL 71 71 15834 1 . HIS 72 72 15834 1 . ILE 73 73 15834 1 . LEU 74 74 15834 1 . ALA 75 75 15834 1 . GLY 76 76 15834 1 . ASP 77 77 15834 1 . GLU 78 78 15834 1 . GLY 79 79 15834 1 . HIS 80 80 15834 1 . PRO 81 81 15834 1 . HIS 82 82 15834 1 . GLY 83 83 15834 1 . TRP 84 84 15834 1 . PRO 85 85 15834 1 . GLY 86 86 15834 1 . PHE 87 87 15834 1 . ARG 88 88 15834 1 . ARG 89 89 15834 1 . ARG 90 90 15834 1 . HIS 91 91 15834 1 . ARG 92 92 15834 1 . PHE 93 93 15834 1 . GLY 94 94 15834 1 . LYS 95 95 15834 1 . ARG 96 96 15834 1 . ALA 97 97 15834 1 . LEU 98 98 15834 1 . GLU 99 99 15834 1 . HIS 100 100 15834 1 . HIS 101 101 15834 1 . HIS 102 102 15834 1 . HIS 103 103 15834 1 . HIS 104 104 15834 1 . HIS 105 105 15834 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 15834 _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 $FeoA_protein . 1097 organism . 'Chlorobium tepidum' 'Chlorobium tepidum' . . Bacteria . Chlorobium tepidum . . . . . . . . . . . . . . . . feoA-2 . . . . 15834 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 15834 _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 $FeoA_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 15834 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 15834 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FeoA protein' '[U-100% 13C; U-100% 15N]' . . 1 $FeoA_protein . . 1.26 . . mM . . . . 15834 1 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15834 1 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15834 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15834 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15834 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15834 1 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15834 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15834 1 9 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15834 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 15834 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FeoA protein' '[U-5% 13C; U-100% 15N]' . . 1 $FeoA_protein . . 1.26 . . mM . . . . 15834 2 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15834 2 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15834 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15834 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15834 2 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15834 2 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15834 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15834 2 9 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15834 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 15834 _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' 115 . mM 15834 1 pH 6.5 . pH 15834 1 pressure 1 . atm 15834 1 temperature 298 . K 15834 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15834 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15834 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15834 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 15834 _Software.ID 2 _Software.Name PROSA _Software.Version 6.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 15834 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15834 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15834 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15834 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15834 3 'data analysis' 15834 3 'peak picking' 15834 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15834 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15834 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15834 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15834 _Software.ID 5 _Software.Name AutoAssign _Software.Version 1.15.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15834 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15834 5 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 15834 _Software.ID 6 _Software.Name CSI _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishat and Sykes' . . 15834 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15834 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15834 _Software.ID 7 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15834 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15834 7 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15834 _Software.ID 8 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15834 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15834 8 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15834 _Software.ID 9 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15834 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15834 9 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15834 _Software.ID 10 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15834 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15834 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15834 _Software.ID 11 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15834 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 15834 11 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 15834 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15834 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 15834 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 15834 _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 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 3 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 5 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 8 '(4,3)D GFT HCCH-COSY ali' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 9 '(4,3)D GFT L-HCCH-COSY aro' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 10 '3D HNHA' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 11 '3D HNCO (hbond)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 12 '3D 1H-15N,13Cali,13Caro NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 1 13 '2D 1H-13C CT-HSQC 28ms' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15834 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 15834 _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 . . . . . . . . . 15834 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15834 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15834 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 15834 _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 3 '3D HNCO' . . . 15834 1 11 '3D HNCO (hbond)' . . . 15834 1 12 '3D 1H-15N,13Cali,13Caro NOESY' . . . 15834 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 15834 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.226 0.020 . 1 . . . . 1 MET HA . 15834 1 2 . 1 1 1 1 MET HB2 H 1 2.157 0.020 . 2 . . . . 1 MET HB2 . 15834 1 3 . 1 1 1 1 MET HB3 H 1 2.157 0.020 . 2 . . . . 1 MET HB3 . 15834 1 4 . 1 1 1 1 MET HE1 H 1 2.050 0.020 . 1 . . . . 1 MET HE . 15834 1 5 . 1 1 1 1 MET HE2 H 1 2.050 0.020 . 1 . . . . 1 MET HE . 15834 1 6 . 1 1 1 1 MET HE3 H 1 2.050 0.020 . 1 . . . . 1 MET HE . 15834 1 7 . 1 1 1 1 MET HG2 H 1 2.467 0.020 . 2 . . . . 1 MET HG2 . 15834 1 8 . 1 1 1 1 MET HG3 H 1 2.467 0.020 . 2 . . . . 1 MET HG3 . 15834 1 9 . 1 1 1 1 MET C C 13 172.471 0.400 . 1 . . . . 1 MET C . 15834 1 10 . 1 1 1 1 MET CA C 13 54.946 0.400 . 1 . . . . 1 MET CA . 15834 1 11 . 1 1 1 1 MET CB C 13 33.443 0.400 . 1 . . . . 1 MET CB . 15834 1 12 . 1 1 1 1 MET CE C 13 16.800 0.400 . 1 . . . . 1 MET CE . 15834 1 13 . 1 1 1 1 MET CG C 13 30.653 0.400 . 1 . . . . 1 MET CG . 15834 1 14 . 1 1 2 2 LYS H H 1 9.220 0.020 . 1 . . . . 2 LYS H . 15834 1 15 . 1 1 2 2 LYS HA H 1 5.341 0.020 . 1 . . . . 2 LYS HA . 15834 1 16 . 1 1 2 2 LYS HB2 H 1 2.042 0.020 . 2 . . . . 2 LYS HB2 . 15834 1 17 . 1 1 2 2 LYS HB3 H 1 1.740 0.020 . 2 . . . . 2 LYS HB3 . 15834 1 18 . 1 1 2 2 LYS HD2 H 1 1.715 0.020 . 2 . . . . 2 LYS HD2 . 15834 1 19 . 1 1 2 2 LYS HD3 H 1 1.462 0.020 . 2 . . . . 2 LYS HD3 . 15834 1 20 . 1 1 2 2 LYS HE2 H 1 2.949 0.020 . 2 . . . . 2 LYS HE2 . 15834 1 21 . 1 1 2 2 LYS HE3 H 1 2.949 0.020 . 2 . . . . 2 LYS HE3 . 15834 1 22 . 1 1 2 2 LYS HG2 H 1 1.537 0.020 . 2 . . . . 2 LYS HG2 . 15834 1 23 . 1 1 2 2 LYS HG3 H 1 1.466 0.020 . 2 . . . . 2 LYS HG3 . 15834 1 24 . 1 1 2 2 LYS C C 13 178.833 0.400 . 1 . . . . 2 LYS C . 15834 1 25 . 1 1 2 2 LYS CA C 13 54.043 0.400 . 1 . . . . 2 LYS CA . 15834 1 26 . 1 1 2 2 LYS CB C 13 34.584 0.400 . 1 . . . . 2 LYS CB . 15834 1 27 . 1 1 2 2 LYS CD C 13 28.462 0.400 . 1 . . . . 2 LYS CD . 15834 1 28 . 1 1 2 2 LYS CE C 13 42.009 0.400 . 1 . . . . 2 LYS CE . 15834 1 29 . 1 1 2 2 LYS CG C 13 24.503 0.400 . 1 . . . . 2 LYS CG . 15834 1 30 . 1 1 2 2 LYS N N 15 124.072 0.400 . 1 . . . . 2 LYS N . 15834 1 31 . 1 1 3 3 LEU H H 1 8.895 0.020 . 1 . . . . 3 LEU H . 15834 1 32 . 1 1 3 3 LEU HA H 1 3.867 0.020 . 1 . . . . 3 LEU HA . 15834 1 33 . 1 1 3 3 LEU HB2 H 1 1.265 0.020 . 1 . . . . 3 LEU HB2 . 15834 1 34 . 1 1 3 3 LEU HB3 H 1 2.332 0.020 . 1 . . . . 3 LEU HB3 . 15834 1 35 . 1 1 3 3 LEU HD11 H 1 0.835 0.020 . 1 . . . . 3 LEU HD1 . 15834 1 36 . 1 1 3 3 LEU HD12 H 1 0.835 0.020 . 1 . . . . 3 LEU HD1 . 15834 1 37 . 1 1 3 3 LEU HD13 H 1 0.835 0.020 . 1 . . . . 3 LEU HD1 . 15834 1 38 . 1 1 3 3 LEU HD21 H 1 0.779 0.020 . 1 . . . . 3 LEU HD2 . 15834 1 39 . 1 1 3 3 LEU HD22 H 1 0.779 0.020 . 1 . . . . 3 LEU HD2 . 15834 1 40 . 1 1 3 3 LEU HD23 H 1 0.779 0.020 . 1 . . . . 3 LEU HD2 . 15834 1 41 . 1 1 3 3 LEU HG H 1 1.502 0.020 . 1 . . . . 3 LEU HG . 15834 1 42 . 1 1 3 3 LEU C C 13 176.369 0.400 . 1 . . . . 3 LEU C . 15834 1 43 . 1 1 3 3 LEU CA C 13 58.172 0.400 . 1 . . . . 3 LEU CA . 15834 1 44 . 1 1 3 3 LEU CB C 13 41.141 0.400 . 1 . . . . 3 LEU CB . 15834 1 45 . 1 1 3 3 LEU CD1 C 13 25.370 0.400 . 1 . . . . 3 LEU CD1 . 15834 1 46 . 1 1 3 3 LEU CD2 C 13 26.016 0.400 . 1 . . . . 3 LEU CD2 . 15834 1 47 . 1 1 3 3 LEU CG C 13 27.598 0.400 . 1 . . . . 3 LEU CG . 15834 1 48 . 1 1 3 3 LEU N N 15 123.303 0.400 . 1 . . . . 3 LEU N . 15834 1 49 . 1 1 4 4 SER H H 1 6.934 0.020 . 1 . . . . 4 SER H . 15834 1 50 . 1 1 4 4 SER HA H 1 3.912 0.020 . 1 . . . . 4 SER HA . 15834 1 51 . 1 1 4 4 SER HB2 H 1 4.145 0.020 . 2 . . . . 4 SER HB2 . 15834 1 52 . 1 1 4 4 SER HB3 H 1 3.494 0.020 . 2 . . . . 4 SER HB3 . 15834 1 53 . 1 1 4 4 SER C C 13 174.073 0.400 . 1 . . . . 4 SER C . 15834 1 54 . 1 1 4 4 SER CA C 13 59.303 0.400 . 1 . . . . 4 SER CA . 15834 1 55 . 1 1 4 4 SER CB C 13 62.241 0.400 . 1 . . . . 4 SER CB . 15834 1 56 . 1 1 4 4 SER N N 15 105.316 0.400 . 1 . . . . 4 SER N . 15834 1 57 . 1 1 5 5 GLU H H 1 7.703 0.020 . 1 . . . . 5 GLU H . 15834 1 58 . 1 1 5 5 GLU HA H 1 4.375 0.020 . 1 . . . . 5 GLU HA . 15834 1 59 . 1 1 5 5 GLU HB2 H 1 2.225 0.020 . 2 . . . . 5 GLU HB2 . 15834 1 60 . 1 1 5 5 GLU HB3 H 1 2.225 0.020 . 2 . . . . 5 GLU HB3 . 15834 1 61 . 1 1 5 5 GLU HG2 H 1 2.212 0.020 . 2 . . . . 5 GLU HG2 . 15834 1 62 . 1 1 5 5 GLU HG3 H 1 2.212 0.020 . 2 . . . . 5 GLU HG3 . 15834 1 63 . 1 1 5 5 GLU C C 13 176.407 0.400 . 1 . . . . 5 GLU C . 15834 1 64 . 1 1 5 5 GLU CA C 13 56.011 0.400 . 1 . . . . 5 GLU CA . 15834 1 65 . 1 1 5 5 GLU CB C 13 30.656 0.400 . 1 . . . . 5 GLU CB . 15834 1 66 . 1 1 5 5 GLU CG C 13 37.646 0.400 . 1 . . . . 5 GLU CG . 15834 1 67 . 1 1 5 5 GLU N N 15 119.533 0.400 . 1 . . . . 5 GLU N . 15834 1 68 . 1 1 6 6 LEU H H 1 7.206 0.020 . 1 . . . . 6 LEU H . 15834 1 69 . 1 1 6 6 LEU HA H 1 4.265 0.020 . 1 . . . . 6 LEU HA . 15834 1 70 . 1 1 6 6 LEU HB2 H 1 1.944 0.020 . 2 . . . . 6 LEU HB2 . 15834 1 71 . 1 1 6 6 LEU HB3 H 1 1.944 0.020 . 2 . . . . 6 LEU HB3 . 15834 1 72 . 1 1 6 6 LEU HD11 H 1 0.753 0.020 . 1 . . . . 6 LEU HD1 . 15834 1 73 . 1 1 6 6 LEU HD12 H 1 0.753 0.020 . 1 . . . . 6 LEU HD1 . 15834 1 74 . 1 1 6 6 LEU HD13 H 1 0.753 0.020 . 1 . . . . 6 LEU HD1 . 15834 1 75 . 1 1 6 6 LEU HD21 H 1 0.791 0.020 . 1 . . . . 6 LEU HD2 . 15834 1 76 . 1 1 6 6 LEU HD22 H 1 0.791 0.020 . 1 . . . . 6 LEU HD2 . 15834 1 77 . 1 1 6 6 LEU HD23 H 1 0.791 0.020 . 1 . . . . 6 LEU HD2 . 15834 1 78 . 1 1 6 6 LEU HG H 1 1.963 0.020 . 1 . . . . 6 LEU HG . 15834 1 79 . 1 1 6 6 LEU C C 13 174.536 0.400 . 1 . . . . 6 LEU C . 15834 1 80 . 1 1 6 6 LEU CA C 13 54.942 0.400 . 1 . . . . 6 LEU CA . 15834 1 81 . 1 1 6 6 LEU CB C 13 42.420 0.400 . 1 . . . . 6 LEU CB . 15834 1 82 . 1 1 6 6 LEU CD1 C 13 25.860 0.400 . 1 . . . . 6 LEU CD1 . 15834 1 83 . 1 1 6 6 LEU CD2 C 13 22.900 0.400 . 1 . . . . 6 LEU CD2 . 15834 1 84 . 1 1 6 6 LEU CG C 13 27.558 0.400 . 1 . . . . 6 LEU CG . 15834 1 85 . 1 1 6 6 LEU N N 15 120.218 0.400 . 1 . . . . 6 LEU N . 15834 1 86 . 1 1 7 7 LYS H H 1 8.817 0.020 . 1 . . . . 7 LYS H . 15834 1 87 . 1 1 7 7 LYS HA H 1 4.545 0.020 . 1 . . . . 7 LYS HA . 15834 1 88 . 1 1 7 7 LYS HB2 H 1 1.729 0.020 . 2 . . . . 7 LYS HB2 . 15834 1 89 . 1 1 7 7 LYS HB3 H 1 1.729 0.020 . 2 . . . . 7 LYS HB3 . 15834 1 90 . 1 1 7 7 LYS HD2 H 1 1.613 0.020 . 2 . . . . 7 LYS HD2 . 15834 1 91 . 1 1 7 7 LYS HD3 H 1 1.613 0.020 . 2 . . . . 7 LYS HD3 . 15834 1 92 . 1 1 7 7 LYS HE2 H 1 3.000 0.020 . 2 . . . . 7 LYS HE2 . 15834 1 93 . 1 1 7 7 LYS HE3 H 1 3.000 0.020 . 2 . . . . 7 LYS HE3 . 15834 1 94 . 1 1 7 7 LYS HG2 H 1 1.479 0.020 . 2 . . . . 7 LYS HG2 . 15834 1 95 . 1 1 7 7 LYS HG3 H 1 1.340 0.020 . 2 . . . . 7 LYS HG3 . 15834 1 96 . 1 1 7 7 LYS C C 13 176.259 0.400 . 1 . . . . 7 LYS C . 15834 1 97 . 1 1 7 7 LYS CA C 13 53.412 0.400 . 1 . . . . 7 LYS CA . 15834 1 98 . 1 1 7 7 LYS CB C 13 34.582 0.400 . 1 . . . . 7 LYS CB . 15834 1 99 . 1 1 7 7 LYS CD C 13 28.484 0.400 . 1 . . . . 7 LYS CD . 15834 1 100 . 1 1 7 7 LYS CE C 13 42.058 0.400 . 1 . . . . 7 LYS CE . 15834 1 101 . 1 1 7 7 LYS CG C 13 23.892 0.400 . 1 . . . . 7 LYS CG . 15834 1 102 . 1 1 7 7 LYS N N 15 117.148 0.400 . 1 . . . . 7 LYS N . 15834 1 103 . 1 1 8 8 ALA H H 1 8.551 0.020 . 1 . . . . 8 ALA H . 15834 1 104 . 1 1 8 8 ALA HA H 1 3.623 0.020 . 1 . . . . 8 ALA HA . 15834 1 105 . 1 1 8 8 ALA HB1 H 1 1.310 0.020 . 1 . . . . 8 ALA HB . 15834 1 106 . 1 1 8 8 ALA HB2 H 1 1.310 0.020 . 1 . . . . 8 ALA HB . 15834 1 107 . 1 1 8 8 ALA HB3 H 1 1.310 0.020 . 1 . . . . 8 ALA HB . 15834 1 108 . 1 1 8 8 ALA C C 13 178.113 0.400 . 1 . . . . 8 ALA C . 15834 1 109 . 1 1 8 8 ALA CA C 13 53.833 0.400 . 1 . . . . 8 ALA CA . 15834 1 110 . 1 1 8 8 ALA CB C 13 17.520 0.400 . 1 . . . . 8 ALA CB . 15834 1 111 . 1 1 8 8 ALA N N 15 121.423 0.400 . 1 . . . . 8 ALA N . 15834 1 112 . 1 1 9 9 GLY H H 1 8.928 0.020 . 1 . . . . 9 GLY H . 15834 1 113 . 1 1 9 9 GLY HA2 H 1 4.469 0.020 . 2 . . . . 9 GLY HA2 . 15834 1 114 . 1 1 9 9 GLY HA3 H 1 3.522 0.020 . 2 . . . . 9 GLY HA3 . 15834 1 115 . 1 1 9 9 GLY C C 13 174.349 0.400 . 1 . . . . 9 GLY C . 15834 1 116 . 1 1 9 9 GLY CA C 13 44.750 0.400 . 1 . . . . 9 GLY CA . 15834 1 117 . 1 1 9 9 GLY N N 15 112.833 0.400 . 1 . . . . 9 GLY N . 15834 1 118 . 1 1 10 10 ASP H H 1 8.113 0.020 . 1 . . . . 10 ASP H . 15834 1 119 . 1 1 10 10 ASP HA H 1 4.543 0.020 . 1 . . . . 10 ASP HA . 15834 1 120 . 1 1 10 10 ASP HB2 H 1 2.925 0.020 . 1 . . . . 10 ASP HB2 . 15834 1 121 . 1 1 10 10 ASP HB3 H 1 2.409 0.020 . 1 . . . . 10 ASP HB3 . 15834 1 122 . 1 1 10 10 ASP C C 13 175.042 0.400 . 1 . . . . 10 ASP C . 15834 1 123 . 1 1 10 10 ASP CA C 13 55.588 0.400 . 1 . . . . 10 ASP CA . 15834 1 124 . 1 1 10 10 ASP CB C 13 41.994 0.400 . 1 . . . . 10 ASP CB . 15834 1 125 . 1 1 10 10 ASP N N 15 121.420 0.400 . 1 . . . . 10 ASP N . 15834 1 126 . 1 1 11 11 ARG H H 1 8.713 0.020 . 1 . . . . 11 ARG H . 15834 1 127 . 1 1 11 11 ARG HA H 1 5.295 0.020 . 1 . . . . 11 ARG HA . 15834 1 128 . 1 1 11 11 ARG HB2 H 1 1.795 0.020 . 2 . . . . 11 ARG HB2 . 15834 1 129 . 1 1 11 11 ARG HB3 H 1 1.795 0.020 . 2 . . . . 11 ARG HB3 . 15834 1 130 . 1 1 11 11 ARG HD2 H 1 3.226 0.020 . 2 . . . . 11 ARG HD2 . 15834 1 131 . 1 1 11 11 ARG HD3 H 1 3.226 0.020 . 2 . . . . 11 ARG HD3 . 15834 1 132 . 1 1 11 11 ARG HG2 H 1 1.800 0.020 . 2 . . . . 11 ARG HG2 . 15834 1 133 . 1 1 11 11 ARG HG3 H 1 1.516 0.020 . 2 . . . . 11 ARG HG3 . 15834 1 134 . 1 1 11 11 ARG C C 13 175.536 0.400 . 1 . . . . 11 ARG C . 15834 1 135 . 1 1 11 11 ARG CA C 13 54.160 0.400 . 1 . . . . 11 ARG CA . 15834 1 136 . 1 1 11 11 ARG CB C 13 32.837 0.400 . 1 . . . . 11 ARG CB . 15834 1 137 . 1 1 11 11 ARG CD C 13 43.323 0.400 . 1 . . . . 11 ARG CD . 15834 1 138 . 1 1 11 11 ARG CG C 13 28.116 0.400 . 1 . . . . 11 ARG CG . 15834 1 139 . 1 1 11 11 ARG N N 15 119.533 0.400 . 1 . . . . 11 ARG N . 15834 1 140 . 1 1 12 12 ALA H H 1 8.924 0.020 . 1 . . . . 12 ALA H . 15834 1 141 . 1 1 12 12 ALA HA H 1 5.081 0.020 . 1 . . . . 12 ALA HA . 15834 1 142 . 1 1 12 12 ALA HB1 H 1 1.083 0.020 . 1 . . . . 12 ALA HB . 15834 1 143 . 1 1 12 12 ALA HB2 H 1 1.083 0.020 . 1 . . . . 12 ALA HB . 15834 1 144 . 1 1 12 12 ALA HB3 H 1 1.083 0.020 . 1 . . . . 12 ALA HB . 15834 1 145 . 1 1 12 12 ALA C C 13 174.056 0.400 . 1 . . . . 12 ALA C . 15834 1 146 . 1 1 12 12 ALA CA C 13 50.771 0.400 . 1 . . . . 12 ALA CA . 15834 1 147 . 1 1 12 12 ALA CB C 13 24.104 0.400 . 1 . . . . 12 ALA CB . 15834 1 148 . 1 1 12 12 ALA N N 15 121.883 0.400 . 1 . . . . 12 ALA N . 15834 1 149 . 1 1 13 13 GLU H H 1 8.768 0.020 . 1 . . . . 13 GLU H . 15834 1 150 . 1 1 13 13 GLU HA H 1 5.466 0.020 . 1 . . . . 13 GLU HA . 15834 1 151 . 1 1 13 13 GLU HB2 H 1 1.890 0.020 . 2 . . . . 13 GLU HB2 . 15834 1 152 . 1 1 13 13 GLU HB3 H 1 1.825 0.020 . 2 . . . . 13 GLU HB3 . 15834 1 153 . 1 1 13 13 GLU HG2 H 1 2.096 0.020 . 2 . . . . 13 GLU HG2 . 15834 1 154 . 1 1 13 13 GLU HG3 H 1 2.096 0.020 . 2 . . . . 13 GLU HG3 . 15834 1 155 . 1 1 13 13 GLU C C 13 176.173 0.400 . 1 . . . . 13 GLU C . 15834 1 156 . 1 1 13 13 GLU CA C 13 52.951 0.400 . 1 . . . . 13 GLU CA . 15834 1 157 . 1 1 13 13 GLU CB C 13 33.333 0.400 . 1 . . . . 13 GLU CB . 15834 1 158 . 1 1 13 13 GLU CG C 13 36.236 0.400 . 1 . . . . 13 GLU CG . 15834 1 159 . 1 1 13 13 GLU N N 15 118.842 0.400 . 1 . . . . 13 GLU N . 15834 1 160 . 1 1 14 14 VAL H H 1 8.864 0.020 . 1 . . . . 14 VAL H . 15834 1 161 . 1 1 14 14 VAL HA H 1 3.933 0.020 . 1 . . . . 14 VAL HA . 15834 1 162 . 1 1 14 14 VAL HB H 1 2.293 0.020 . 1 . . . . 14 VAL HB . 15834 1 163 . 1 1 14 14 VAL HG11 H 1 0.598 0.020 . 1 . . . . 14 VAL HG1 . 15834 1 164 . 1 1 14 14 VAL HG12 H 1 0.598 0.020 . 1 . . . . 14 VAL HG1 . 15834 1 165 . 1 1 14 14 VAL HG13 H 1 0.598 0.020 . 1 . . . . 14 VAL HG1 . 15834 1 166 . 1 1 14 14 VAL HG21 H 1 0.810 0.020 . 1 . . . . 14 VAL HG2 . 15834 1 167 . 1 1 14 14 VAL HG22 H 1 0.810 0.020 . 1 . . . . 14 VAL HG2 . 15834 1 168 . 1 1 14 14 VAL HG23 H 1 0.810 0.020 . 1 . . . . 14 VAL HG2 . 15834 1 169 . 1 1 14 14 VAL C C 13 176.948 0.400 . 1 . . . . 14 VAL C . 15834 1 170 . 1 1 14 14 VAL CA C 13 63.639 0.400 . 1 . . . . 14 VAL CA . 15834 1 171 . 1 1 14 14 VAL CB C 13 31.922 0.400 . 1 . . . . 14 VAL CB . 15834 1 172 . 1 1 14 14 VAL CG1 C 13 21.428 0.400 . 1 . . . . 14 VAL CG1 . 15834 1 173 . 1 1 14 14 VAL CG2 C 13 22.491 0.400 . 1 . . . . 14 VAL CG2 . 15834 1 174 . 1 1 14 14 VAL N N 15 124.706 0.400 . 1 . . . . 14 VAL N . 15834 1 175 . 1 1 15 15 THR H H 1 9.566 0.020 . 1 . . . . 15 THR H . 15834 1 176 . 1 1 15 15 THR HA H 1 4.513 0.020 . 1 . . . . 15 THR HA . 15834 1 177 . 1 1 15 15 THR HB H 1 4.050 0.020 . 1 . . . . 15 THR HB . 15834 1 178 . 1 1 15 15 THR HG21 H 1 1.007 0.020 . 1 . . . . 15 THR HG2 . 15834 1 179 . 1 1 15 15 THR HG22 H 1 1.007 0.020 . 1 . . . . 15 THR HG2 . 15834 1 180 . 1 1 15 15 THR HG23 H 1 1.007 0.020 . 1 . . . . 15 THR HG2 . 15834 1 181 . 1 1 15 15 THR C C 13 174.495 0.400 . 1 . . . . 15 THR C . 15834 1 182 . 1 1 15 15 THR CA C 13 62.622 0.400 . 1 . . . . 15 THR CA . 15834 1 183 . 1 1 15 15 THR CB C 13 68.718 0.400 . 1 . . . . 15 THR CB . 15834 1 184 . 1 1 15 15 THR CG2 C 13 22.111 0.400 . 1 . . . . 15 THR CG2 . 15834 1 185 . 1 1 15 15 THR N N 15 123.302 0.400 . 1 . . . . 15 THR N . 15834 1 186 . 1 1 16 16 SER H H 1 7.555 0.020 . 1 . . . . 16 SER H . 15834 1 187 . 1 1 16 16 SER HA H 1 4.536 0.020 . 1 . . . . 16 SER HA . 15834 1 188 . 1 1 16 16 SER HB2 H 1 3.823 0.020 . 2 . . . . 16 SER HB2 . 15834 1 189 . 1 1 16 16 SER HB3 H 1 3.823 0.020 . 2 . . . . 16 SER HB3 . 15834 1 190 . 1 1 16 16 SER C C 13 171.666 0.400 . 1 . . . . 16 SER C . 15834 1 191 . 1 1 16 16 SER CA C 13 58.621 0.400 . 1 . . . . 16 SER CA . 15834 1 192 . 1 1 16 16 SER CB C 13 64.368 0.400 . 1 . . . . 16 SER CB . 15834 1 193 . 1 1 16 16 SER N N 15 114.325 0.400 . 1 . . . . 16 SER N . 15834 1 194 . 1 1 17 17 VAL H H 1 8.580 0.020 . 1 . . . . 17 VAL H . 15834 1 195 . 1 1 17 17 VAL HA H 1 4.328 0.020 . 1 . . . . 17 VAL HA . 15834 1 196 . 1 1 17 17 VAL HB H 1 1.949 0.020 . 1 . . . . 17 VAL HB . 15834 1 197 . 1 1 17 17 VAL HG11 H 1 0.747 0.020 . 2 . . . . 17 VAL HG1 . 15834 1 198 . 1 1 17 17 VAL HG12 H 1 0.747 0.020 . 2 . . . . 17 VAL HG1 . 15834 1 199 . 1 1 17 17 VAL HG13 H 1 0.747 0.020 . 2 . . . . 17 VAL HG1 . 15834 1 200 . 1 1 17 17 VAL HG21 H 1 0.747 0.020 . 2 . . . . 17 VAL HG2 . 15834 1 201 . 1 1 17 17 VAL HG22 H 1 0.747 0.020 . 2 . . . . 17 VAL HG2 . 15834 1 202 . 1 1 17 17 VAL HG23 H 1 0.747 0.020 . 2 . . . . 17 VAL HG2 . 15834 1 203 . 1 1 17 17 VAL C C 13 174.002 0.400 . 1 . . . . 17 VAL C . 15834 1 204 . 1 1 17 17 VAL CA C 13 61.865 0.400 . 1 . . . . 17 VAL CA . 15834 1 205 . 1 1 17 17 VAL CB C 13 34.020 0.400 . 1 . . . . 17 VAL CB . 15834 1 206 . 1 1 17 17 VAL CG1 C 13 20.557 0.400 . 1 . . . . 17 VAL CG1 . 15834 1 207 . 1 1 17 17 VAL CG2 C 13 20.557 0.400 . 1 . . . . 17 VAL CG2 . 15834 1 208 . 1 1 17 17 VAL N N 15 122.830 0.400 . 1 . . . . 17 VAL N . 15834 1 209 . 1 1 18 18 ALA H H 1 8.643 0.020 . 1 . . . . 18 ALA H . 15834 1 210 . 1 1 18 18 ALA HA H 1 4.682 0.020 . 1 . . . . 18 ALA HA . 15834 1 211 . 1 1 18 18 ALA HB1 H 1 1.349 0.020 . 1 . . . . 18 ALA HB . 15834 1 212 . 1 1 18 18 ALA HB2 H 1 1.349 0.020 . 1 . . . . 18 ALA HB . 15834 1 213 . 1 1 18 18 ALA HB3 H 1 1.349 0.020 . 1 . . . . 18 ALA HB . 15834 1 214 . 1 1 18 18 ALA C C 13 175.191 0.400 . 1 . . . . 18 ALA C . 15834 1 215 . 1 1 18 18 ALA CA C 13 51.196 0.400 . 1 . . . . 18 ALA CA . 15834 1 216 . 1 1 18 18 ALA CB C 13 19.265 0.400 . 1 . . . . 18 ALA CB . 15834 1 217 . 1 1 18 18 ALA N N 15 131.826 0.400 . 1 . . . . 18 ALA N . 15834 1 218 . 1 1 19 19 ALA H H 1 7.682 0.020 . 1 . . . . 19 ALA H . 15834 1 219 . 1 1 19 19 ALA HA H 1 4.430 0.020 . 1 . . . . 19 ALA HA . 15834 1 220 . 1 1 19 19 ALA HB1 H 1 1.263 0.020 . 1 . . . . 19 ALA HB . 15834 1 221 . 1 1 19 19 ALA HB2 H 1 1.263 0.020 . 1 . . . . 19 ALA HB . 15834 1 222 . 1 1 19 19 ALA HB3 H 1 1.263 0.020 . 1 . . . . 19 ALA HB . 15834 1 223 . 1 1 19 19 ALA C C 13 175.636 0.400 . 1 . . . . 19 ALA C . 15834 1 224 . 1 1 19 19 ALA CA C 13 50.909 0.400 . 1 . . . . 19 ALA CA . 15834 1 225 . 1 1 19 19 ALA CB C 13 21.024 0.400 . 1 . . . . 19 ALA CB . 15834 1 226 . 1 1 19 19 ALA N N 15 122.356 0.400 . 1 . . . . 19 ALA N . 15834 1 227 . 1 1 20 20 GLU H H 1 8.698 0.020 . 1 . . . . 20 GLU H . 15834 1 228 . 1 1 20 20 GLU HA H 1 4.522 0.020 . 1 . . . . 20 GLU HA . 15834 1 229 . 1 1 20 20 GLU HB2 H 1 2.014 0.020 . 1 . . . . 20 GLU HB2 . 15834 1 230 . 1 1 20 20 GLU HB3 H 1 2.261 0.020 . 1 . . . . 20 GLU HB3 . 15834 1 231 . 1 1 20 20 GLU HG2 H 1 2.387 0.020 . 2 . . . . 20 GLU HG2 . 15834 1 232 . 1 1 20 20 GLU HG3 H 1 2.387 0.020 . 2 . . . . 20 GLU HG3 . 15834 1 233 . 1 1 20 20 GLU C C 13 175.232 0.400 . 1 . . . . 20 GLU C . 15834 1 234 . 1 1 20 20 GLU CA C 13 55.168 0.400 . 1 . . . . 20 GLU CA . 15834 1 235 . 1 1 20 20 GLU CB C 13 28.253 0.400 . 1 . . . . 20 GLU CB . 15834 1 236 . 1 1 20 20 GLU CG C 13 36.323 0.400 . 1 . . . . 20 GLU CG . 15834 1 237 . 1 1 20 20 GLU N N 15 120.758 0.400 . 1 . . . . 20 GLU N . 15834 1 238 . 1 1 21 21 PRO HA H 1 4.113 0.020 . 1 . . . . 21 PRO HA . 15834 1 239 . 1 1 21 21 PRO HB2 H 1 2.008 0.020 . 1 . . . . 21 PRO HB2 . 15834 1 240 . 1 1 21 21 PRO HB3 H 1 2.393 0.020 . 1 . . . . 21 PRO HB3 . 15834 1 241 . 1 1 21 21 PRO HD2 H 1 3.853 0.020 . 1 . . . . 21 PRO HD2 . 15834 1 242 . 1 1 21 21 PRO HD3 H 1 3.950 0.020 . 1 . . . . 21 PRO HD3 . 15834 1 243 . 1 1 21 21 PRO HG2 H 1 2.251 0.020 . 2 . . . . 21 PRO HG2 . 15834 1 244 . 1 1 21 21 PRO HG3 H 1 2.083 0.020 . 2 . . . . 21 PRO HG3 . 15834 1 245 . 1 1 21 21 PRO C C 13 178.465 0.400 . 1 . . . . 21 PRO C . 15834 1 246 . 1 1 21 21 PRO CA C 13 67.032 0.400 . 1 . . . . 21 PRO CA . 15834 1 247 . 1 1 21 21 PRO CB C 13 31.960 0.400 . 1 . . . . 21 PRO CB . 15834 1 248 . 1 1 21 21 PRO CD C 13 50.049 0.400 . 1 . . . . 21 PRO CD . 15834 1 249 . 1 1 21 21 PRO CG C 13 27.474 0.400 . 1 . . . . 21 PRO CG . 15834 1 250 . 1 1 22 22 ALA H H 1 9.026 0.020 . 1 . . . . 22 ALA H . 15834 1 251 . 1 1 22 22 ALA HA H 1 4.125 0.020 . 1 . . . . 22 ALA HA . 15834 1 252 . 1 1 22 22 ALA HB1 H 1 1.465 0.020 . 1 . . . . 22 ALA HB . 15834 1 253 . 1 1 22 22 ALA HB2 H 1 1.465 0.020 . 1 . . . . 22 ALA HB . 15834 1 254 . 1 1 22 22 ALA HB3 H 1 1.465 0.020 . 1 . . . . 22 ALA HB . 15834 1 255 . 1 1 22 22 ALA C C 13 180.802 0.400 . 1 . . . . 22 ALA C . 15834 1 256 . 1 1 22 22 ALA CA C 13 55.184 0.400 . 1 . . . . 22 ALA CA . 15834 1 257 . 1 1 22 22 ALA CB C 13 18.204 0.400 . 1 . . . . 22 ALA CB . 15834 1 258 . 1 1 22 22 ALA N N 15 119.023 0.400 . 1 . . . . 22 ALA N . 15834 1 259 . 1 1 23 23 VAL H H 1 7.244 0.020 . 1 . . . . 23 VAL H . 15834 1 260 . 1 1 23 23 VAL HA H 1 3.682 0.020 . 1 . . . . 23 VAL HA . 15834 1 261 . 1 1 23 23 VAL HB H 1 2.167 0.020 . 1 . . . . 23 VAL HB . 15834 1 262 . 1 1 23 23 VAL HG11 H 1 0.912 0.020 . 1 . . . . 23 VAL HG1 . 15834 1 263 . 1 1 23 23 VAL HG12 H 1 0.912 0.020 . 1 . . . . 23 VAL HG1 . 15834 1 264 . 1 1 23 23 VAL HG13 H 1 0.912 0.020 . 1 . . . . 23 VAL HG1 . 15834 1 265 . 1 1 23 23 VAL HG21 H 1 1.057 0.020 . 1 . . . . 23 VAL HG2 . 15834 1 266 . 1 1 23 23 VAL HG22 H 1 1.057 0.020 . 1 . . . . 23 VAL HG2 . 15834 1 267 . 1 1 23 23 VAL HG23 H 1 1.057 0.020 . 1 . . . . 23 VAL HG2 . 15834 1 268 . 1 1 23 23 VAL C C 13 177.147 0.400 . 1 . . . . 23 VAL C . 15834 1 269 . 1 1 23 23 VAL CA C 13 65.189 0.400 . 1 . . . . 23 VAL CA . 15834 1 270 . 1 1 23 23 VAL CB C 13 31.942 0.400 . 1 . . . . 23 VAL CB . 15834 1 271 . 1 1 23 23 VAL CG1 C 13 20.797 0.400 . 1 . . . . 23 VAL CG1 . 15834 1 272 . 1 1 23 23 VAL CG2 C 13 21.901 0.400 . 1 . . . . 23 VAL CG2 . 15834 1 273 . 1 1 23 23 VAL N N 15 119.533 0.400 . 1 . . . . 23 VAL N . 15834 1 274 . 1 1 24 24 ARG H H 1 8.648 0.020 . 1 . . . . 24 ARG H . 15834 1 275 . 1 1 24 24 ARG HA H 1 3.553 0.020 . 1 . . . . 24 ARG HA . 15834 1 276 . 1 1 24 24 ARG HB2 H 1 1.690 0.020 . 1 . . . . 24 ARG HB2 . 15834 1 277 . 1 1 24 24 ARG HB3 H 1 1.816 0.020 . 1 . . . . 24 ARG HB3 . 15834 1 278 . 1 1 24 24 ARG HD2 H 1 3.238 0.020 . 2 . . . . 24 ARG HD2 . 15834 1 279 . 1 1 24 24 ARG HD3 H 1 3.238 0.020 . 2 . . . . 24 ARG HD3 . 15834 1 280 . 1 1 24 24 ARG HE H 1 7.371 0.020 . 1 . . . . 24 ARG HE . 15834 1 281 . 1 1 24 24 ARG HG2 H 1 1.501 0.020 . 2 . . . . 24 ARG HG2 . 15834 1 282 . 1 1 24 24 ARG HG3 H 1 1.501 0.020 . 2 . . . . 24 ARG HG3 . 15834 1 283 . 1 1 24 24 ARG C C 13 178.340 0.400 . 1 . . . . 24 ARG C . 15834 1 284 . 1 1 24 24 ARG CA C 13 60.135 0.400 . 1 . . . . 24 ARG CA . 15834 1 285 . 1 1 24 24 ARG CB C 13 29.986 0.400 . 1 . . . . 24 ARG CB . 15834 1 286 . 1 1 24 24 ARG CD C 13 42.908 0.400 . 1 . . . . 24 ARG CD . 15834 1 287 . 1 1 24 24 ARG CG C 13 27.592 0.400 . 1 . . . . 24 ARG CG . 15834 1 288 . 1 1 24 24 ARG N N 15 119.811 0.400 . 1 . . . . 24 ARG N . 15834 1 289 . 1 1 24 24 ARG NE N 15 84.332 0.400 . 1 . . . . 24 ARG NE . 15834 1 290 . 1 1 25 25 ARG H H 1 8.040 0.020 . 1 . . . . 25 ARG H . 15834 1 291 . 1 1 25 25 ARG HA H 1 4.016 0.020 . 1 . . . . 25 ARG HA . 15834 1 292 . 1 1 25 25 ARG HB2 H 1 1.888 0.020 . 2 . . . . 25 ARG HB2 . 15834 1 293 . 1 1 25 25 ARG HB3 H 1 1.888 0.020 . 2 . . . . 25 ARG HB3 . 15834 1 294 . 1 1 25 25 ARG HD2 H 1 3.216 0.020 . 2 . . . . 25 ARG HD2 . 15834 1 295 . 1 1 25 25 ARG HD3 H 1 3.216 0.020 . 2 . . . . 25 ARG HD3 . 15834 1 296 . 1 1 25 25 ARG HG2 H 1 1.674 0.020 . 2 . . . . 25 ARG HG2 . 15834 1 297 . 1 1 25 25 ARG HG3 H 1 1.674 0.020 . 2 . . . . 25 ARG HG3 . 15834 1 298 . 1 1 25 25 ARG C C 13 177.289 0.400 . 1 . . . . 25 ARG C . 15834 1 299 . 1 1 25 25 ARG CA C 13 58.775 0.400 . 1 . . . . 25 ARG CA . 15834 1 300 . 1 1 25 25 ARG CB C 13 29.779 0.400 . 1 . . . . 25 ARG CB . 15834 1 301 . 1 1 25 25 ARG CD C 13 42.902 0.400 . 1 . . . . 25 ARG CD . 15834 1 302 . 1 1 25 25 ARG CG C 13 26.702 0.400 . 1 . . . . 25 ARG CG . 15834 1 303 . 1 1 25 25 ARG N N 15 117.344 0.400 . 1 . . . . 25 ARG N . 15834 1 304 . 1 1 26 26 ARG H H 1 7.296 0.020 . 1 . . . . 26 ARG H . 15834 1 305 . 1 1 26 26 ARG HA H 1 4.116 0.020 . 1 . . . . 26 ARG HA . 15834 1 306 . 1 1 26 26 ARG HB2 H 1 1.960 0.020 . 2 . . . . 26 ARG HB2 . 15834 1 307 . 1 1 26 26 ARG HB3 H 1 1.960 0.020 . 2 . . . . 26 ARG HB3 . 15834 1 308 . 1 1 26 26 ARG HD2 H 1 3.325 0.020 . 2 . . . . 26 ARG HD2 . 15834 1 309 . 1 1 26 26 ARG HD3 H 1 3.174 0.020 . 2 . . . . 26 ARG HD3 . 15834 1 310 . 1 1 26 26 ARG HE H 1 7.644 0.020 . 1 . . . . 26 ARG HE . 15834 1 311 . 1 1 26 26 ARG HG2 H 1 1.529 0.020 . 2 . . . . 26 ARG HG2 . 15834 1 312 . 1 1 26 26 ARG HG3 H 1 1.752 0.020 . 2 . . . . 26 ARG HG3 . 15834 1 313 . 1 1 26 26 ARG C C 13 178.694 0.400 . 1 . . . . 26 ARG C . 15834 1 314 . 1 1 26 26 ARG CA C 13 59.081 0.400 . 1 . . . . 26 ARG CA . 15834 1 315 . 1 1 26 26 ARG CB C 13 29.763 0.400 . 1 . . . . 26 ARG CB . 15834 1 316 . 1 1 26 26 ARG CD C 13 43.121 0.400 . 1 . . . . 26 ARG CD . 15834 1 317 . 1 1 26 26 ARG CG C 13 27.325 0.400 . 1 . . . . 26 ARG CG . 15834 1 318 . 1 1 26 26 ARG N N 15 119.970 0.400 . 1 . . . . 26 ARG N . 15834 1 319 . 1 1 26 26 ARG NE N 15 83.992 0.400 . 1 . . . . 26 ARG NE . 15834 1 320 . 1 1 27 27 LEU H H 1 8.311 0.020 . 1 . . . . 27 LEU H . 15834 1 321 . 1 1 27 27 LEU HA H 1 3.986 0.020 . 1 . . . . 27 LEU HA . 15834 1 322 . 1 1 27 27 LEU HB2 H 1 1.843 0.020 . 1 . . . . 27 LEU HB2 . 15834 1 323 . 1 1 27 27 LEU HB3 H 1 1.558 0.020 . 1 . . . . 27 LEU HB3 . 15834 1 324 . 1 1 27 27 LEU HD11 H 1 0.698 0.020 . 1 . . . . 27 LEU HD1 . 15834 1 325 . 1 1 27 27 LEU HD12 H 1 0.698 0.020 . 1 . . . . 27 LEU HD1 . 15834 1 326 . 1 1 27 27 LEU HD13 H 1 0.698 0.020 . 1 . . . . 27 LEU HD1 . 15834 1 327 . 1 1 27 27 LEU HD21 H 1 0.756 0.020 . 1 . . . . 27 LEU HD2 . 15834 1 328 . 1 1 27 27 LEU HD22 H 1 0.756 0.020 . 1 . . . . 27 LEU HD2 . 15834 1 329 . 1 1 27 27 LEU HD23 H 1 0.756 0.020 . 1 . . . . 27 LEU HD2 . 15834 1 330 . 1 1 27 27 LEU HG H 1 1.925 0.020 . 1 . . . . 27 LEU HG . 15834 1 331 . 1 1 27 27 LEU C C 13 179.103 0.400 . 1 . . . . 27 LEU C . 15834 1 332 . 1 1 27 27 LEU CA C 13 57.753 0.400 . 1 . . . . 27 LEU CA . 15834 1 333 . 1 1 27 27 LEU CB C 13 40.283 0.400 . 1 . . . . 27 LEU CB . 15834 1 334 . 1 1 27 27 LEU CD1 C 13 26.019 0.400 . 1 . . . . 27 LEU CD1 . 15834 1 335 . 1 1 27 27 LEU CD2 C 13 21.903 0.400 . 1 . . . . 27 LEU CD2 . 15834 1 336 . 1 1 27 27 LEU CG C 13 26.401 0.400 . 1 . . . . 27 LEU CG . 15834 1 337 . 1 1 27 27 LEU N N 15 116.676 0.400 . 1 . . . . 27 LEU N . 15834 1 338 . 1 1 28 28 MET H H 1 8.423 0.020 . 1 . . . . 28 MET H . 15834 1 339 . 1 1 28 28 MET HA H 1 3.840 0.020 . 1 . . . . 28 MET HA . 15834 1 340 . 1 1 28 28 MET HB2 H 1 2.133 0.020 . 2 . . . . 28 MET HB2 . 15834 1 341 . 1 1 28 28 MET HB3 H 1 2.133 0.020 . 2 . . . . 28 MET HB3 . 15834 1 342 . 1 1 28 28 MET HE1 H 1 2.086 0.020 . 1 . . . . 28 MET HE . 15834 1 343 . 1 1 28 28 MET HE2 H 1 2.086 0.020 . 1 . . . . 28 MET HE . 15834 1 344 . 1 1 28 28 MET HE3 H 1 2.086 0.020 . 1 . . . . 28 MET HE . 15834 1 345 . 1 1 28 28 MET HG2 H 1 2.617 0.020 . 2 . . . . 28 MET HG2 . 15834 1 346 . 1 1 28 28 MET HG3 H 1 2.520 0.020 . 2 . . . . 28 MET HG3 . 15834 1 347 . 1 1 28 28 MET C C 13 180.112 0.400 . 1 . . . . 28 MET C . 15834 1 348 . 1 1 28 28 MET CA C 13 59.096 0.400 . 1 . . . . 28 MET CA . 15834 1 349 . 1 1 28 28 MET CB C 13 32.393 0.400 . 1 . . . . 28 MET CB . 15834 1 350 . 1 1 28 28 MET CE C 13 16.655 0.400 . 1 . . . . 28 MET CE . 15834 1 351 . 1 1 28 28 MET CG C 13 31.509 0.400 . 1 . . . . 28 MET CG . 15834 1 352 . 1 1 28 28 MET N N 15 119.972 0.400 . 1 . . . . 28 MET N . 15834 1 353 . 1 1 29 29 ASP H H 1 8.203 0.020 . 1 . . . . 29 ASP H . 15834 1 354 . 1 1 29 29 ASP HA H 1 4.392 0.020 . 1 . . . . 29 ASP HA . 15834 1 355 . 1 1 29 29 ASP HB2 H 1 2.888 0.020 . 1 . . . . 29 ASP HB2 . 15834 1 356 . 1 1 29 29 ASP HB3 H 1 2.669 0.020 . 1 . . . . 29 ASP HB3 . 15834 1 357 . 1 1 29 29 ASP C C 13 177.989 0.400 . 1 . . . . 29 ASP C . 15834 1 358 . 1 1 29 29 ASP CA C 13 56.886 0.400 . 1 . . . . 29 ASP CA . 15834 1 359 . 1 1 29 29 ASP CB C 13 39.837 0.400 . 1 . . . . 29 ASP CB . 15834 1 360 . 1 1 29 29 ASP N N 15 121.889 0.400 . 1 . . . . 29 ASP N . 15834 1 361 . 1 1 30 30 LEU H H 1 7.359 0.020 . 1 . . . . 30 LEU H . 15834 1 362 . 1 1 30 30 LEU HA H 1 4.309 0.020 . 1 . . . . 30 LEU HA . 15834 1 363 . 1 1 30 30 LEU HB2 H 1 1.874 0.020 . 1 . . . . 30 LEU HB2 . 15834 1 364 . 1 1 30 30 LEU HB3 H 1 1.738 0.020 . 1 . . . . 30 LEU HB3 . 15834 1 365 . 1 1 30 30 LEU HD11 H 1 0.903 0.020 . 1 . . . . 30 LEU HD1 . 15834 1 366 . 1 1 30 30 LEU HD12 H 1 0.903 0.020 . 1 . . . . 30 LEU HD1 . 15834 1 367 . 1 1 30 30 LEU HD13 H 1 0.903 0.020 . 1 . . . . 30 LEU HD1 . 15834 1 368 . 1 1 30 30 LEU HD21 H 1 0.904 0.020 . 1 . . . . 30 LEU HD2 . 15834 1 369 . 1 1 30 30 LEU HD22 H 1 0.904 0.020 . 1 . . . . 30 LEU HD2 . 15834 1 370 . 1 1 30 30 LEU HD23 H 1 0.904 0.020 . 1 . . . . 30 LEU HD2 . 15834 1 371 . 1 1 30 30 LEU HG H 1 1.904 0.020 . 1 . . . . 30 LEU HG . 15834 1 372 . 1 1 30 30 LEU C C 13 176.230 0.400 . 1 . . . . 30 LEU C . 15834 1 373 . 1 1 30 30 LEU CA C 13 55.125 0.400 . 1 . . . . 30 LEU CA . 15834 1 374 . 1 1 30 30 LEU CB C 13 42.455 0.400 . 1 . . . . 30 LEU CB . 15834 1 375 . 1 1 30 30 LEU CD1 C 13 25.734 0.400 . 1 . . . . 30 LEU CD1 . 15834 1 376 . 1 1 30 30 LEU CD2 C 13 22.327 0.400 . 1 . . . . 30 LEU CD2 . 15834 1 377 . 1 1 30 30 LEU CG C 13 26.254 0.400 . 1 . . . . 30 LEU CG . 15834 1 378 . 1 1 30 30 LEU N N 15 118.568 0.400 . 1 . . . . 30 LEU N . 15834 1 379 . 1 1 31 31 GLY H H 1 7.674 0.020 . 1 . . . . 31 GLY H . 15834 1 380 . 1 1 31 31 GLY HA2 H 1 3.542 0.020 . 1 . . . . 31 GLY HA2 . 15834 1 381 . 1 1 31 31 GLY HA3 H 1 4.293 0.020 . 1 . . . . 31 GLY HA3 . 15834 1 382 . 1 1 31 31 GLY C C 13 173.423 0.400 . 1 . . . . 31 GLY C . 15834 1 383 . 1 1 31 31 GLY CA C 13 44.470 0.400 . 1 . . . . 31 GLY CA . 15834 1 384 . 1 1 31 31 GLY N N 15 104.360 0.400 . 1 . . . . 31 GLY N . 15834 1 385 . 1 1 32 32 LEU H H 1 7.998 0.020 . 1 . . . . 32 LEU H . 15834 1 386 . 1 1 32 32 LEU HA H 1 4.066 0.020 . 1 . . . . 32 LEU HA . 15834 1 387 . 1 1 32 32 LEU HB2 H 1 1.488 0.020 . 2 . . . . 32 LEU HB2 . 15834 1 388 . 1 1 32 32 LEU HB3 H 1 1.402 0.020 . 2 . . . . 32 LEU HB3 . 15834 1 389 . 1 1 32 32 LEU HD11 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 15834 1 390 . 1 1 32 32 LEU HD12 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 15834 1 391 . 1 1 32 32 LEU HD13 H 1 0.767 0.020 . 1 . . . . 32 LEU HD1 . 15834 1 392 . 1 1 32 32 LEU HD21 H 1 0.695 0.020 . 1 . . . . 32 LEU HD2 . 15834 1 393 . 1 1 32 32 LEU HD22 H 1 0.695 0.020 . 1 . . . . 32 LEU HD2 . 15834 1 394 . 1 1 32 32 LEU HD23 H 1 0.695 0.020 . 1 . . . . 32 LEU HD2 . 15834 1 395 . 1 1 32 32 LEU HG H 1 1.469 0.020 . 1 . . . . 32 LEU HG . 15834 1 396 . 1 1 32 32 LEU C C 13 172.137 0.400 . 1 . . . . 32 LEU C . 15834 1 397 . 1 1 32 32 LEU CA C 13 54.944 0.400 . 1 . . . . 32 LEU CA . 15834 1 398 . 1 1 32 32 LEU CB C 13 39.412 0.400 . 1 . . . . 32 LEU CB . 15834 1 399 . 1 1 32 32 LEU CD1 C 13 26.469 0.400 . 1 . . . . 32 LEU CD1 . 15834 1 400 . 1 1 32 32 LEU CD2 C 13 25.363 0.400 . 1 . . . . 32 LEU CD2 . 15834 1 401 . 1 1 32 32 LEU CG C 13 28.055 0.400 . 1 . . . . 32 LEU CG . 15834 1 402 . 1 1 32 32 LEU N N 15 124.253 0.400 . 1 . . . . 32 LEU N . 15834 1 403 . 1 1 33 33 VAL H H 1 6.623 0.020 . 1 . . . . 33 VAL H . 15834 1 404 . 1 1 33 33 VAL HA H 1 4.355 0.020 . 1 . . . . 33 VAL HA . 15834 1 405 . 1 1 33 33 VAL HB H 1 2.183 0.020 . 1 . . . . 33 VAL HB . 15834 1 406 . 1 1 33 33 VAL HG11 H 1 0.849 0.020 . 1 . . . . 33 VAL HG1 . 15834 1 407 . 1 1 33 33 VAL HG12 H 1 0.849 0.020 . 1 . . . . 33 VAL HG1 . 15834 1 408 . 1 1 33 33 VAL HG13 H 1 0.849 0.020 . 1 . . . . 33 VAL HG1 . 15834 1 409 . 1 1 33 33 VAL HG21 H 1 0.675 0.020 . 1 . . . . 33 VAL HG2 . 15834 1 410 . 1 1 33 33 VAL HG22 H 1 0.675 0.020 . 1 . . . . 33 VAL HG2 . 15834 1 411 . 1 1 33 33 VAL HG23 H 1 0.675 0.020 . 1 . . . . 33 VAL HG2 . 15834 1 412 . 1 1 33 33 VAL C C 13 174.752 0.400 . 1 . . . . 33 VAL C . 15834 1 413 . 1 1 33 33 VAL CA C 13 57.745 0.400 . 1 . . . . 33 VAL CA . 15834 1 414 . 1 1 33 33 VAL CB C 13 35.957 0.400 . 1 . . . . 33 VAL CB . 15834 1 415 . 1 1 33 33 VAL CG1 C 13 22.324 0.400 . 1 . . . . 33 VAL CG1 . 15834 1 416 . 1 1 33 33 VAL CG2 C 13 17.242 0.400 . 1 . . . . 33 VAL CG2 . 15834 1 417 . 1 1 33 33 VAL N N 15 113.850 0.400 . 1 . . . . 33 VAL N . 15834 1 418 . 1 1 34 34 ARG H H 1 8.581 0.020 . 1 . . . . 34 ARG H . 15834 1 419 . 1 1 34 34 ARG HA H 1 3.534 0.020 . 1 . . . . 34 ARG HA . 15834 1 420 . 1 1 34 34 ARG HB2 H 1 1.683 0.020 . 2 . . . . 34 ARG HB2 . 15834 1 421 . 1 1 34 34 ARG HB3 H 1 1.683 0.020 . 2 . . . . 34 ARG HB3 . 15834 1 422 . 1 1 34 34 ARG HD2 H 1 3.271 0.020 . 2 . . . . 34 ARG HD2 . 15834 1 423 . 1 1 34 34 ARG HD3 H 1 3.202 0.020 . 2 . . . . 34 ARG HD3 . 15834 1 424 . 1 1 34 34 ARG HG2 H 1 1.650 0.020 . 2 . . . . 34 ARG HG2 . 15834 1 425 . 1 1 34 34 ARG HG3 H 1 1.449 0.020 . 2 . . . . 34 ARG HG3 . 15834 1 426 . 1 1 34 34 ARG C C 13 176.783 0.400 . 1 . . . . 34 ARG C . 15834 1 427 . 1 1 34 34 ARG CA C 13 58.644 0.400 . 1 . . . . 34 ARG CA . 15834 1 428 . 1 1 34 34 ARG CB C 13 29.331 0.400 . 1 . . . . 34 ARG CB . 15834 1 429 . 1 1 34 34 ARG CD C 13 43.371 0.400 . 1 . . . . 34 ARG CD . 15834 1 430 . 1 1 34 34 ARG CG C 13 27.121 0.400 . 1 . . . . 34 ARG CG . 15834 1 431 . 1 1 34 34 ARG N N 15 120.945 0.400 . 1 . . . . 34 ARG N . 15834 1 432 . 1 1 35 35 GLY H H 1 9.098 0.020 . 1 . . . . 35 GLY H . 15834 1 433 . 1 1 35 35 GLY HA2 H 1 3.740 0.020 . 1 . . . . 35 GLY HA2 . 15834 1 434 . 1 1 35 35 GLY HA3 H 1 4.399 0.020 . 1 . . . . 35 GLY HA3 . 15834 1 435 . 1 1 35 35 GLY C C 13 174.219 0.400 . 1 . . . . 35 GLY C . 15834 1 436 . 1 1 35 35 GLY CA C 13 44.623 0.400 . 1 . . . . 35 GLY CA . 15834 1 437 . 1 1 35 35 GLY N N 15 115.255 0.400 . 1 . . . . 35 GLY N . 15834 1 438 . 1 1 36 36 ALA H H 1 8.328 0.020 . 1 . . . . 36 ALA H . 15834 1 439 . 1 1 36 36 ALA HA H 1 4.385 0.020 . 1 . . . . 36 ALA HA . 15834 1 440 . 1 1 36 36 ALA HB1 H 1 1.539 0.020 . 1 . . . . 36 ALA HB . 15834 1 441 . 1 1 36 36 ALA HB2 H 1 1.539 0.020 . 1 . . . . 36 ALA HB . 15834 1 442 . 1 1 36 36 ALA HB3 H 1 1.539 0.020 . 1 . . . . 36 ALA HB . 15834 1 443 . 1 1 36 36 ALA C C 13 176.245 0.400 . 1 . . . . 36 ALA C . 15834 1 444 . 1 1 36 36 ALA CA C 13 52.938 0.400 . 1 . . . . 36 ALA CA . 15834 1 445 . 1 1 36 36 ALA CB C 13 19.710 0.400 . 1 . . . . 36 ALA CB . 15834 1 446 . 1 1 36 36 ALA N N 15 123.595 0.400 . 1 . . . . 36 ALA N . 15834 1 447 . 1 1 37 37 LYS H H 1 8.231 0.020 . 1 . . . . 37 LYS H . 15834 1 448 . 1 1 37 37 LYS HA H 1 5.042 0.020 . 1 . . . . 37 LYS HA . 15834 1 449 . 1 1 37 37 LYS HB2 H 1 1.880 0.020 . 2 . . . . 37 LYS HB2 . 15834 1 450 . 1 1 37 37 LYS HB3 H 1 1.752 0.020 . 2 . . . . 37 LYS HB3 . 15834 1 451 . 1 1 37 37 LYS HD2 H 1 1.615 0.020 . 2 . . . . 37 LYS HD2 . 15834 1 452 . 1 1 37 37 LYS HD3 H 1 1.615 0.020 . 2 . . . . 37 LYS HD3 . 15834 1 453 . 1 1 37 37 LYS HE2 H 1 2.995 0.020 . 2 . . . . 37 LYS HE2 . 15834 1 454 . 1 1 37 37 LYS HE3 H 1 2.995 0.020 . 2 . . . . 37 LYS HE3 . 15834 1 455 . 1 1 37 37 LYS HG2 H 1 1.614 0.020 . 2 . . . . 37 LYS HG2 . 15834 1 456 . 1 1 37 37 LYS HG3 H 1 1.417 0.020 . 2 . . . . 37 LYS HG3 . 15834 1 457 . 1 1 37 37 LYS C C 13 175.718 0.400 . 1 . . . . 37 LYS C . 15834 1 458 . 1 1 37 37 LYS CA C 13 54.728 0.400 . 1 . . . . 37 LYS CA . 15834 1 459 . 1 1 37 37 LYS CB C 13 33.308 0.400 . 1 . . . . 37 LYS CB . 15834 1 460 . 1 1 37 37 LYS CD C 13 28.897 0.400 . 1 . . . . 37 LYS CD . 15834 1 461 . 1 1 37 37 LYS CE C 13 42.266 0.400 . 1 . . . . 37 LYS CE . 15834 1 462 . 1 1 37 37 LYS CG C 13 25.633 0.400 . 1 . . . . 37 LYS CG . 15834 1 463 . 1 1 37 37 LYS N N 15 119.533 0.400 . 1 . . . . 37 LYS N . 15834 1 464 . 1 1 38 38 LEU H H 1 9.372 0.020 . 1 . . . . 38 LEU H . 15834 1 465 . 1 1 38 38 LEU HA H 1 5.631 0.020 . 1 . . . . 38 LEU HA . 15834 1 466 . 1 1 38 38 LEU HB2 H 1 1.456 0.020 . 1 . . . . 38 LEU HB2 . 15834 1 467 . 1 1 38 38 LEU HB3 H 1 1.317 0.020 . 1 . . . . 38 LEU HB3 . 15834 1 468 . 1 1 38 38 LEU HD11 H 1 0.613 0.020 . 2 . . . . 38 LEU HD1 . 15834 1 469 . 1 1 38 38 LEU HD12 H 1 0.613 0.020 . 2 . . . . 38 LEU HD1 . 15834 1 470 . 1 1 38 38 LEU HD13 H 1 0.613 0.020 . 2 . . . . 38 LEU HD1 . 15834 1 471 . 1 1 38 38 LEU HD21 H 1 0.613 0.020 . 2 . . . . 38 LEU HD2 . 15834 1 472 . 1 1 38 38 LEU HD22 H 1 0.613 0.020 . 2 . . . . 38 LEU HD2 . 15834 1 473 . 1 1 38 38 LEU HD23 H 1 0.613 0.020 . 2 . . . . 38 LEU HD2 . 15834 1 474 . 1 1 38 38 LEU HG H 1 1.611 0.020 . 1 . . . . 38 LEU HG . 15834 1 475 . 1 1 38 38 LEU C C 13 175.923 0.400 . 1 . . . . 38 LEU C . 15834 1 476 . 1 1 38 38 LEU CA C 13 52.527 0.400 . 1 . . . . 38 LEU CA . 15834 1 477 . 1 1 38 38 LEU CB C 13 45.960 0.400 . 1 . . . . 38 LEU CB . 15834 1 478 . 1 1 38 38 LEU CD1 C 13 25.836 0.400 . 1 . . . . 38 LEU CD1 . 15834 1 479 . 1 1 38 38 LEU CD2 C 13 25.836 0.400 . 1 . . . . 38 LEU CD2 . 15834 1 480 . 1 1 38 38 LEU CG C 13 25.843 0.400 . 1 . . . . 38 LEU CG . 15834 1 481 . 1 1 38 38 LEU N N 15 120.478 0.400 . 1 . . . . 38 LEU N . 15834 1 482 . 1 1 39 39 LYS H H 1 8.549 0.020 . 1 . . . . 39 LYS H . 15834 1 483 . 1 1 39 39 LYS HA H 1 5.193 0.020 . 1 . . . . 39 LYS HA . 15834 1 484 . 1 1 39 39 LYS HB2 H 1 1.672 0.020 . 2 . . . . 39 LYS HB2 . 15834 1 485 . 1 1 39 39 LYS HB3 H 1 1.672 0.020 . 2 . . . . 39 LYS HB3 . 15834 1 486 . 1 1 39 39 LYS HD2 H 1 1.556 0.020 . 2 . . . . 39 LYS HD2 . 15834 1 487 . 1 1 39 39 LYS HD3 H 1 1.556 0.020 . 2 . . . . 39 LYS HD3 . 15834 1 488 . 1 1 39 39 LYS HE2 H 1 2.862 0.020 . 2 . . . . 39 LYS HE2 . 15834 1 489 . 1 1 39 39 LYS HE3 H 1 2.862 0.020 . 2 . . . . 39 LYS HE3 . 15834 1 490 . 1 1 39 39 LYS HG2 H 1 1.174 0.020 . 2 . . . . 39 LYS HG2 . 15834 1 491 . 1 1 39 39 LYS HG3 H 1 1.063 0.020 . 2 . . . . 39 LYS HG3 . 15834 1 492 . 1 1 39 39 LYS C C 13 175.907 0.400 . 1 . . . . 39 LYS C . 15834 1 493 . 1 1 39 39 LYS CA C 13 54.686 0.400 . 1 . . . . 39 LYS CA . 15834 1 494 . 1 1 39 39 LYS CB C 13 36.504 0.400 . 1 . . . . 39 LYS CB . 15834 1 495 . 1 1 39 39 LYS CD C 13 29.634 0.400 . 1 . . . . 39 LYS CD . 15834 1 496 . 1 1 39 39 LYS CE C 13 42.005 0.400 . 1 . . . . 39 LYS CE . 15834 1 497 . 1 1 39 39 LYS CG C 13 24.941 0.400 . 1 . . . . 39 LYS CG . 15834 1 498 . 1 1 39 39 LYS N N 15 120.917 0.400 . 1 . . . . 39 LYS N . 15834 1 499 . 1 1 40 40 VAL H H 1 8.848 0.020 . 1 . . . . 40 VAL H . 15834 1 500 . 1 1 40 40 VAL HA H 1 3.791 0.020 . 1 . . . . 40 VAL HA . 15834 1 501 . 1 1 40 40 VAL HB H 1 2.246 0.020 . 1 . . . . 40 VAL HB . 15834 1 502 . 1 1 40 40 VAL HG11 H 1 0.566 0.020 . 1 . . . . 40 VAL HG1 . 15834 1 503 . 1 1 40 40 VAL HG12 H 1 0.566 0.020 . 1 . . . . 40 VAL HG1 . 15834 1 504 . 1 1 40 40 VAL HG13 H 1 0.566 0.020 . 1 . . . . 40 VAL HG1 . 15834 1 505 . 1 1 40 40 VAL HG21 H 1 0.799 0.020 . 1 . . . . 40 VAL HG2 . 15834 1 506 . 1 1 40 40 VAL HG22 H 1 0.799 0.020 . 1 . . . . 40 VAL HG2 . 15834 1 507 . 1 1 40 40 VAL HG23 H 1 0.799 0.020 . 1 . . . . 40 VAL HG2 . 15834 1 508 . 1 1 40 40 VAL C C 13 175.501 0.400 . 1 . . . . 40 VAL C . 15834 1 509 . 1 1 40 40 VAL CA C 13 63.696 0.400 . 1 . . . . 40 VAL CA . 15834 1 510 . 1 1 40 40 VAL CB C 13 31.069 0.400 . 1 . . . . 40 VAL CB . 15834 1 511 . 1 1 40 40 VAL CG1 C 13 21.403 0.400 . 1 . . . . 40 VAL CG1 . 15834 1 512 . 1 1 40 40 VAL CG2 C 13 22.329 0.400 . 1 . . . . 40 VAL CG2 . 15834 1 513 . 1 1 40 40 VAL N N 15 127.328 0.400 . 1 . . . . 40 VAL N . 15834 1 514 . 1 1 41 41 LEU H H 1 8.978 0.020 . 1 . . . . 41 LEU H . 15834 1 515 . 1 1 41 41 LEU HA H 1 4.441 0.020 . 1 . . . . 41 LEU HA . 15834 1 516 . 1 1 41 41 LEU HB2 H 1 1.525 0.020 . 2 . . . . 41 LEU HB2 . 15834 1 517 . 1 1 41 41 LEU HB3 H 1 1.435 0.020 . 2 . . . . 41 LEU HB3 . 15834 1 518 . 1 1 41 41 LEU HD11 H 1 0.809 0.020 . 1 . . . . 41 LEU HD1 . 15834 1 519 . 1 1 41 41 LEU HD12 H 1 0.809 0.020 . 1 . . . . 41 LEU HD1 . 15834 1 520 . 1 1 41 41 LEU HD13 H 1 0.809 0.020 . 1 . . . . 41 LEU HD1 . 15834 1 521 . 1 1 41 41 LEU HD21 H 1 0.755 0.020 . 1 . . . . 41 LEU HD2 . 15834 1 522 . 1 1 41 41 LEU HD22 H 1 0.755 0.020 . 1 . . . . 41 LEU HD2 . 15834 1 523 . 1 1 41 41 LEU HD23 H 1 0.755 0.020 . 1 . . . . 41 LEU HD2 . 15834 1 524 . 1 1 41 41 LEU HG H 1 1.544 0.020 . 1 . . . . 41 LEU HG . 15834 1 525 . 1 1 41 41 LEU C C 13 176.826 0.400 . 1 . . . . 41 LEU C . 15834 1 526 . 1 1 41 41 LEU CA C 13 55.997 0.400 . 1 . . . . 41 LEU CA . 15834 1 527 . 1 1 41 41 LEU CB C 13 42.448 0.400 . 1 . . . . 41 LEU CB . 15834 1 528 . 1 1 41 41 LEU CD1 C 13 25.818 0.400 . 1 . . . . 41 LEU CD1 . 15834 1 529 . 1 1 41 41 LEU CD2 C 13 22.320 0.400 . 1 . . . . 41 LEU CD2 . 15834 1 530 . 1 1 41 41 LEU CG C 13 26.741 0.400 . 1 . . . . 41 LEU CG . 15834 1 531 . 1 1 41 41 LEU N N 15 129.919 0.400 . 1 . . . . 41 LEU N . 15834 1 532 . 1 1 42 42 ARG H H 1 7.506 0.020 . 1 . . . . 42 ARG H . 15834 1 533 . 1 1 42 42 ARG HA H 1 4.426 0.020 . 1 . . . . 42 ARG HA . 15834 1 534 . 1 1 42 42 ARG HB2 H 1 1.946 0.020 . 2 . . . . 42 ARG HB2 . 15834 1 535 . 1 1 42 42 ARG HB3 H 1 1.698 0.020 . 2 . . . . 42 ARG HB3 . 15834 1 536 . 1 1 42 42 ARG HD2 H 1 3.140 0.020 . 2 . . . . 42 ARG HD2 . 15834 1 537 . 1 1 42 42 ARG HD3 H 1 3.048 0.020 . 2 . . . . 42 ARG HD3 . 15834 1 538 . 1 1 42 42 ARG HE H 1 7.403 0.020 . 1 . . . . 42 ARG HE . 15834 1 539 . 1 1 42 42 ARG HG2 H 1 1.336 0.020 . 2 . . . . 42 ARG HG2 . 15834 1 540 . 1 1 42 42 ARG HG3 H 1 1.336 0.020 . 2 . . . . 42 ARG HG3 . 15834 1 541 . 1 1 42 42 ARG C C 13 172.739 0.400 . 1 . . . . 42 ARG C . 15834 1 542 . 1 1 42 42 ARG CA C 13 55.582 0.400 . 1 . . . . 42 ARG CA . 15834 1 543 . 1 1 42 42 ARG CB C 13 32.799 0.400 . 1 . . . . 42 ARG CB . 15834 1 544 . 1 1 42 42 ARG CD C 13 43.062 0.400 . 1 . . . . 42 ARG CD . 15834 1 545 . 1 1 42 42 ARG CG C 13 26.264 0.400 . 1 . . . . 42 ARG CG . 15834 1 546 . 1 1 42 42 ARG N N 15 112.886 0.400 . 1 . . . . 42 ARG N . 15834 1 547 . 1 1 42 42 ARG NE N 15 84.480 0.400 . 1 . . . . 42 ARG NE . 15834 1 548 . 1 1 43 43 PHE H H 1 8.759 0.020 . 1 . . . . 43 PHE H . 15834 1 549 . 1 1 43 43 PHE HA H 1 4.756 0.020 . 1 . . . . 43 PHE HA . 15834 1 550 . 1 1 43 43 PHE HB2 H 1 2.857 0.020 . 1 . . . . 43 PHE HB2 . 15834 1 551 . 1 1 43 43 PHE HB3 H 1 3.011 0.020 . 1 . . . . 43 PHE HB3 . 15834 1 552 . 1 1 43 43 PHE HD1 H 1 7.079 0.020 . 1 . . . . 43 PHE HD1 . 15834 1 553 . 1 1 43 43 PHE HD2 H 1 7.079 0.020 . 1 . . . . 43 PHE HD2 . 15834 1 554 . 1 1 43 43 PHE HE1 H 1 7.168 0.020 . 1 . . . . 43 PHE HE1 . 15834 1 555 . 1 1 43 43 PHE HE2 H 1 7.168 0.020 . 1 . . . . 43 PHE HE2 . 15834 1 556 . 1 1 43 43 PHE HZ H 1 7.301 0.020 . 1 . . . . 43 PHE HZ . 15834 1 557 . 1 1 43 43 PHE C C 13 175.289 0.400 . 1 . . . . 43 PHE C . 15834 1 558 . 1 1 43 43 PHE CA C 13 56.449 0.400 . 1 . . . . 43 PHE CA . 15834 1 559 . 1 1 43 43 PHE CB C 13 41.541 0.400 . 1 . . . . 43 PHE CB . 15834 1 560 . 1 1 43 43 PHE CD1 C 13 131.242 0.400 . 1 . . . . 43 PHE CD1 . 15834 1 561 . 1 1 43 43 PHE CD2 C 13 131.242 0.400 . 1 . . . . 43 PHE CD2 . 15834 1 562 . 1 1 43 43 PHE CE1 C 13 131.264 0.400 . 1 . . . . 43 PHE CE1 . 15834 1 563 . 1 1 43 43 PHE CE2 C 13 131.264 0.400 . 1 . . . . 43 PHE CE2 . 15834 1 564 . 1 1 43 43 PHE CZ C 13 130.343 0.400 . 1 . . . . 43 PHE CZ . 15834 1 565 . 1 1 43 43 PHE N N 15 121.417 0.400 . 1 . . . . 43 PHE N . 15834 1 566 . 1 1 44 44 ALA H H 1 7.942 0.020 . 1 . . . . 44 ALA H . 15834 1 567 . 1 1 44 44 ALA HA H 1 4.489 0.020 . 1 . . . . 44 ALA HA . 15834 1 568 . 1 1 44 44 ALA HB1 H 1 1.391 0.020 . 1 . . . . 44 ALA HB . 15834 1 569 . 1 1 44 44 ALA HB2 H 1 1.391 0.020 . 1 . . . . 44 ALA HB . 15834 1 570 . 1 1 44 44 ALA HB3 H 1 1.391 0.020 . 1 . . . . 44 ALA HB . 15834 1 571 . 1 1 44 44 ALA CA C 13 51.212 0.400 . 1 . . . . 44 ALA CA . 15834 1 572 . 1 1 44 44 ALA CB C 13 17.061 0.400 . 1 . . . . 44 ALA CB . 15834 1 573 . 1 1 44 44 ALA N N 15 125.670 0.400 . 1 . . . . 44 ALA N . 15834 1 574 . 1 1 45 45 PRO HA H 1 4.289 0.020 . 1 . . . . 45 PRO HA . 15834 1 575 . 1 1 45 45 PRO HB2 H 1 1.878 0.020 . 1 . . . . 45 PRO HB2 . 15834 1 576 . 1 1 45 45 PRO HB3 H 1 2.387 0.020 . 1 . . . . 45 PRO HB3 . 15834 1 577 . 1 1 45 45 PRO HD2 H 1 3.841 0.020 . 2 . . . . 45 PRO HD2 . 15834 1 578 . 1 1 45 45 PRO HD3 H 1 3.751 0.020 . 2 . . . . 45 PRO HD3 . 15834 1 579 . 1 1 45 45 PRO HG2 H 1 2.174 0.020 . 2 . . . . 45 PRO HG2 . 15834 1 580 . 1 1 45 45 PRO HG3 H 1 2.050 0.020 . 2 . . . . 45 PRO HG3 . 15834 1 581 . 1 1 45 45 PRO C C 13 177.731 0.400 . 1 . . . . 45 PRO C . 15834 1 582 . 1 1 45 45 PRO CA C 13 65.636 0.400 . 1 . . . . 45 PRO CA . 15834 1 583 . 1 1 45 45 PRO CB C 13 31.517 0.400 . 1 . . . . 45 PRO CB . 15834 1 584 . 1 1 45 45 PRO CD C 13 50.022 0.400 . 1 . . . . 45 PRO CD . 15834 1 585 . 1 1 45 45 PRO CG C 13 27.593 0.400 . 1 . . . . 45 PRO CG . 15834 1 586 . 1 1 46 46 LEU H H 1 8.465 0.020 . 1 . . . . 46 LEU H . 15834 1 587 . 1 1 46 46 LEU HA H 1 4.280 0.020 . 1 . . . . 46 LEU HA . 15834 1 588 . 1 1 46 46 LEU HB2 H 1 1.982 0.020 . 1 . . . . 46 LEU HB2 . 15834 1 589 . 1 1 46 46 LEU HB3 H 1 1.752 0.020 . 1 . . . . 46 LEU HB3 . 15834 1 590 . 1 1 46 46 LEU HD11 H 1 0.946 0.020 . 1 . . . . 46 LEU HD1 . 15834 1 591 . 1 1 46 46 LEU HD12 H 1 0.946 0.020 . 1 . . . . 46 LEU HD1 . 15834 1 592 . 1 1 46 46 LEU HD13 H 1 0.946 0.020 . 1 . . . . 46 LEU HD1 . 15834 1 593 . 1 1 46 46 LEU HD21 H 1 0.889 0.020 . 1 . . . . 46 LEU HD2 . 15834 1 594 . 1 1 46 46 LEU HD22 H 1 0.889 0.020 . 1 . . . . 46 LEU HD2 . 15834 1 595 . 1 1 46 46 LEU HD23 H 1 0.889 0.020 . 1 . . . . 46 LEU HD2 . 15834 1 596 . 1 1 46 46 LEU HG H 1 1.627 0.020 . 1 . . . . 46 LEU HG . 15834 1 597 . 1 1 46 46 LEU C C 13 177.925 0.400 . 1 . . . . 46 LEU C . 15834 1 598 . 1 1 46 46 LEU CA C 13 55.561 0.400 . 1 . . . . 46 LEU CA . 15834 1 599 . 1 1 46 46 LEU CB C 13 40.266 0.400 . 1 . . . . 46 LEU CB . 15834 1 600 . 1 1 46 46 LEU CD1 C 13 24.960 0.400 . 1 . . . . 46 LEU CD1 . 15834 1 601 . 1 1 46 46 LEU CD2 C 13 22.755 0.400 . 1 . . . . 46 LEU CD2 . 15834 1 602 . 1 1 46 46 LEU CG C 13 27.138 0.400 . 1 . . . . 46 LEU CG . 15834 1 603 . 1 1 46 46 LEU N N 15 115.257 0.400 . 1 . . . . 46 LEU N . 15834 1 604 . 1 1 47 47 GLY H H 1 8.609 0.020 . 1 . . . . 47 GLY H . 15834 1 605 . 1 1 47 47 GLY HA2 H 1 3.490 0.020 . 1 . . . . 47 GLY HA2 . 15834 1 606 . 1 1 47 47 GLY HA3 H 1 4.141 0.020 . 1 . . . . 47 GLY HA3 . 15834 1 607 . 1 1 47 47 GLY C C 13 172.011 0.400 . 1 . . . . 47 GLY C . 15834 1 608 . 1 1 47 47 GLY CA C 13 45.879 0.400 . 1 . . . . 47 GLY CA . 15834 1 609 . 1 1 47 47 GLY N N 15 107.678 0.400 . 1 . . . . 47 GLY N . 15834 1 610 . 1 1 48 48 ASP H H 1 6.794 0.020 . 1 . . . . 48 ASP H . 15834 1 611 . 1 1 48 48 ASP HA H 1 4.901 0.020 . 1 . . . . 48 ASP HA . 15834 1 612 . 1 1 48 48 ASP HB2 H 1 2.671 0.020 . 2 . . . . 48 ASP HB2 . 15834 1 613 . 1 1 48 48 ASP HB3 H 1 2.527 0.020 . 2 . . . . 48 ASP HB3 . 15834 1 614 . 1 1 48 48 ASP CA C 13 50.759 0.400 . 1 . . . . 48 ASP CA . 15834 1 615 . 1 1 48 48 ASP CB C 13 44.669 0.400 . 1 . . . . 48 ASP CB . 15834 1 616 . 1 1 48 48 ASP N N 15 117.029 0.400 . 1 . . . . 48 ASP N . 15834 1 617 . 1 1 49 49 PRO HA H 1 5.531 0.020 . 1 . . . . 49 PRO HA . 15834 1 618 . 1 1 49 49 PRO HB2 H 1 2.033 0.020 . 2 . . . . 49 PRO HB2 . 15834 1 619 . 1 1 49 49 PRO HB3 H 1 2.033 0.020 . 2 . . . . 49 PRO HB3 . 15834 1 620 . 1 1 49 49 PRO HD2 H 1 3.398 0.020 . 2 . . . . 49 PRO HD2 . 15834 1 621 . 1 1 49 49 PRO HD3 H 1 3.398 0.020 . 2 . . . . 49 PRO HD3 . 15834 1 622 . 1 1 49 49 PRO HG2 H 1 1.818 0.020 . 2 . . . . 49 PRO HG2 . 15834 1 623 . 1 1 49 49 PRO HG3 H 1 1.597 0.020 . 2 . . . . 49 PRO HG3 . 15834 1 624 . 1 1 49 49 PRO C C 13 174.205 0.400 . 1 . . . . 49 PRO C . 15834 1 625 . 1 1 49 49 PRO CA C 13 63.501 0.400 . 1 . . . . 49 PRO CA . 15834 1 626 . 1 1 49 49 PRO CB C 13 35.888 0.400 . 1 . . . . 49 PRO CB . 15834 1 627 . 1 1 49 49 PRO CD C 13 50.314 0.400 . 1 . . . . 49 PRO CD . 15834 1 628 . 1 1 49 49 PRO CG C 13 24.090 0.400 . 1 . . . . 49 PRO CG . 15834 1 629 . 1 1 50 50 ILE H H 1 8.855 0.020 . 1 . . . . 50 ILE H . 15834 1 630 . 1 1 50 50 ILE HA H 1 4.246 0.020 . 1 . . . . 50 ILE HA . 15834 1 631 . 1 1 50 50 ILE HB H 1 1.313 0.020 . 1 . . . . 50 ILE HB . 15834 1 632 . 1 1 50 50 ILE HD11 H 1 0.523 0.020 . 1 . . . . 50 ILE HD1 . 15834 1 633 . 1 1 50 50 ILE HD12 H 1 0.523 0.020 . 1 . . . . 50 ILE HD1 . 15834 1 634 . 1 1 50 50 ILE HD13 H 1 0.523 0.020 . 1 . . . . 50 ILE HD1 . 15834 1 635 . 1 1 50 50 ILE HG12 H 1 0.583 0.020 . 1 . . . . 50 ILE HG12 . 15834 1 636 . 1 1 50 50 ILE HG13 H 1 1.284 0.020 . 1 . . . . 50 ILE HG13 . 15834 1 637 . 1 1 50 50 ILE HG21 H 1 0.349 0.020 . 1 . . . . 50 ILE HG2 . 15834 1 638 . 1 1 50 50 ILE HG22 H 1 0.349 0.020 . 1 . . . . 50 ILE HG2 . 15834 1 639 . 1 1 50 50 ILE HG23 H 1 0.349 0.020 . 1 . . . . 50 ILE HG2 . 15834 1 640 . 1 1 50 50 ILE C C 13 174.513 0.400 . 1 . . . . 50 ILE C . 15834 1 641 . 1 1 50 50 ILE CA C 13 60.441 0.400 . 1 . . . . 50 ILE CA . 15834 1 642 . 1 1 50 50 ILE CB C 13 41.156 0.400 . 1 . . . . 50 ILE CB . 15834 1 643 . 1 1 50 50 ILE CD1 C 13 14.870 0.400 . 1 . . . . 50 ILE CD1 . 15834 1 644 . 1 1 50 50 ILE CG1 C 13 26.709 0.400 . 1 . . . . 50 ILE CG1 . 15834 1 645 . 1 1 50 50 ILE CG2 C 13 16.635 0.400 . 1 . . . . 50 ILE CG2 . 15834 1 646 . 1 1 50 50 ILE N N 15 116.672 0.400 . 1 . . . . 50 ILE N . 15834 1 647 . 1 1 51 51 GLU H H 1 8.697 0.020 . 1 . . . . 51 GLU H . 15834 1 648 . 1 1 51 51 GLU HA H 1 5.194 0.020 . 1 . . . . 51 GLU HA . 15834 1 649 . 1 1 51 51 GLU HB2 H 1 1.834 0.020 . 1 . . . . 51 GLU HB2 . 15834 1 650 . 1 1 51 51 GLU HB3 H 1 1.962 0.020 . 1 . . . . 51 GLU HB3 . 15834 1 651 . 1 1 51 51 GLU HG2 H 1 2.097 0.020 . 2 . . . . 51 GLU HG2 . 15834 1 652 . 1 1 51 51 GLU HG3 H 1 2.097 0.020 . 2 . . . . 51 GLU HG3 . 15834 1 653 . 1 1 51 51 GLU C C 13 176.004 0.400 . 1 . . . . 51 GLU C . 15834 1 654 . 1 1 51 51 GLU CA C 13 54.885 0.400 . 1 . . . . 51 GLU CA . 15834 1 655 . 1 1 51 51 GLU CB C 13 31.519 0.400 . 1 . . . . 51 GLU CB . 15834 1 656 . 1 1 51 51 GLU CG C 13 36.316 0.400 . 1 . . . . 51 GLU CG . 15834 1 657 . 1 1 51 51 GLU N N 15 125.574 0.400 . 1 . . . . 51 GLU N . 15834 1 658 . 1 1 52 52 VAL H H 1 9.068 0.020 . 1 . . . . 52 VAL H . 15834 1 659 . 1 1 52 52 VAL HA H 1 4.931 0.020 . 1 . . . . 52 VAL HA . 15834 1 660 . 1 1 52 52 VAL HB H 1 1.913 0.020 . 1 . . . . 52 VAL HB . 15834 1 661 . 1 1 52 52 VAL HG11 H 1 0.792 0.020 . 1 . . . . 52 VAL HG1 . 15834 1 662 . 1 1 52 52 VAL HG12 H 1 0.792 0.020 . 1 . . . . 52 VAL HG1 . 15834 1 663 . 1 1 52 52 VAL HG13 H 1 0.792 0.020 . 1 . . . . 52 VAL HG1 . 15834 1 664 . 1 1 52 52 VAL HG21 H 1 0.757 0.020 . 1 . . . . 52 VAL HG2 . 15834 1 665 . 1 1 52 52 VAL HG22 H 1 0.757 0.020 . 1 . . . . 52 VAL HG2 . 15834 1 666 . 1 1 52 52 VAL HG23 H 1 0.757 0.020 . 1 . . . . 52 VAL HG2 . 15834 1 667 . 1 1 52 52 VAL C C 13 172.833 0.400 . 1 . . . . 52 VAL C . 15834 1 668 . 1 1 52 52 VAL CA C 13 58.647 0.400 . 1 . . . . 52 VAL CA . 15834 1 669 . 1 1 52 52 VAL CB C 13 35.747 0.400 . 1 . . . . 52 VAL CB . 15834 1 670 . 1 1 52 52 VAL CG1 C 13 22.027 0.400 . 1 . . . . 52 VAL CG1 . 15834 1 671 . 1 1 52 52 VAL CG2 C 13 20.587 0.400 . 1 . . . . 52 VAL CG2 . 15834 1 672 . 1 1 52 52 VAL N N 15 119.533 0.400 . 1 . . . . 52 VAL N . 15834 1 673 . 1 1 53 53 ASN H H 1 9.017 0.020 . 1 . . . . 53 ASN H . 15834 1 674 . 1 1 53 53 ASN HA H 1 5.323 0.020 . 1 . . . . 53 ASN HA . 15834 1 675 . 1 1 53 53 ASN HB2 H 1 2.443 0.020 . 1 . . . . 53 ASN HB2 . 15834 1 676 . 1 1 53 53 ASN HB3 H 1 2.798 0.020 . 1 . . . . 53 ASN HB3 . 15834 1 677 . 1 1 53 53 ASN HD21 H 1 7.247 0.020 . 1 . . . . 53 ASN HD21 . 15834 1 678 . 1 1 53 53 ASN HD22 H 1 6.562 0.020 . 1 . . . . 53 ASN HD22 . 15834 1 679 . 1 1 53 53 ASN C C 13 175.328 0.400 . 1 . . . . 53 ASN C . 15834 1 680 . 1 1 53 53 ASN CA C 13 51.625 0.400 . 1 . . . . 53 ASN CA . 15834 1 681 . 1 1 53 53 ASN CB C 13 40.274 0.400 . 1 . . . . 53 ASN CB . 15834 1 682 . 1 1 53 53 ASN N N 15 121.671 0.400 . 1 . . . . 53 ASN N . 15834 1 683 . 1 1 53 53 ASN ND2 N 15 110.027 0.400 . 1 . . . . 53 ASN ND2 . 15834 1 684 . 1 1 54 54 CYS H H 1 9.442 0.020 . 1 . . . . 54 CYS H . 15834 1 685 . 1 1 54 54 CYS HA H 1 4.922 0.020 . 1 . . . . 54 CYS HA . 15834 1 686 . 1 1 54 54 CYS HB2 H 1 2.167 0.020 . 1 . . . . 54 CYS HB2 . 15834 1 687 . 1 1 54 54 CYS HB3 H 1 2.795 0.020 . 1 . . . . 54 CYS HB3 . 15834 1 688 . 1 1 54 54 CYS HG H 1 1.813 0.020 . 1 . . . . 54 CYS HG . 15834 1 689 . 1 1 54 54 CYS C C 13 174.715 0.400 . 1 . . . . 54 CYS C . 15834 1 690 . 1 1 54 54 CYS CA C 13 56.940 0.400 . 1 . . . . 54 CYS CA . 15834 1 691 . 1 1 54 54 CYS CB C 13 27.988 0.400 . 1 . . . . 54 CYS CB . 15834 1 692 . 1 1 54 54 CYS N N 15 127.090 0.400 . 1 . . . . 54 CYS N . 15834 1 693 . 1 1 55 55 ASN H H 1 9.432 0.020 . 1 . . . . 55 ASN H . 15834 1 694 . 1 1 55 55 ASN HA H 1 4.481 0.020 . 1 . . . . 55 ASN HA . 15834 1 695 . 1 1 55 55 ASN HB2 H 1 2.911 0.020 . 1 . . . . 55 ASN HB2 . 15834 1 696 . 1 1 55 55 ASN HB3 H 1 3.288 0.020 . 1 . . . . 55 ASN HB3 . 15834 1 697 . 1 1 55 55 ASN HD21 H 1 7.708 0.020 . 1 . . . . 55 ASN HD21 . 15834 1 698 . 1 1 55 55 ASN HD22 H 1 6.869 0.020 . 1 . . . . 55 ASN HD22 . 15834 1 699 . 1 1 55 55 ASN C C 13 174.274 0.400 . 1 . . . . 55 ASN C . 15834 1 700 . 1 1 55 55 ASN CA C 13 54.255 0.400 . 1 . . . . 55 ASN CA . 15834 1 701 . 1 1 55 55 ASN CB C 13 37.629 0.400 . 1 . . . . 55 ASN CB . 15834 1 702 . 1 1 55 55 ASN N N 15 127.846 0.400 . 1 . . . . 55 ASN N . 15834 1 703 . 1 1 55 55 ASN ND2 N 15 112.828 0.400 . 1 . . . . 55 ASN ND2 . 15834 1 704 . 1 1 56 56 GLY H H 1 8.027 0.020 . 1 . . . . 56 GLY H . 15834 1 705 . 1 1 56 56 GLY HA2 H 1 3.699 0.020 . 1 . . . . 56 GLY HA2 . 15834 1 706 . 1 1 56 56 GLY HA3 H 1 4.275 0.020 . 1 . . . . 56 GLY HA3 . 15834 1 707 . 1 1 56 56 GLY C C 13 173.779 0.400 . 1 . . . . 56 GLY C . 15834 1 708 . 1 1 56 56 GLY CA C 13 45.518 0.400 . 1 . . . . 56 GLY CA . 15834 1 709 . 1 1 56 56 GLY N N 15 103.612 0.400 . 1 . . . . 56 GLY N . 15834 1 710 . 1 1 57 57 MET H H 1 7.739 0.020 . 1 . . . . 57 MET H . 15834 1 711 . 1 1 57 57 MET HA H 1 4.669 0.020 . 1 . . . . 57 MET HA . 15834 1 712 . 1 1 57 57 MET HB2 H 1 2.074 0.020 . 2 . . . . 57 MET HB2 . 15834 1 713 . 1 1 57 57 MET HB3 H 1 2.074 0.020 . 2 . . . . 57 MET HB3 . 15834 1 714 . 1 1 57 57 MET HE1 H 1 2.138 0.020 . 1 . . . . 57 MET HE . 15834 1 715 . 1 1 57 57 MET HE2 H 1 2.138 0.020 . 1 . . . . 57 MET HE . 15834 1 716 . 1 1 57 57 MET HE3 H 1 2.138 0.020 . 1 . . . . 57 MET HE . 15834 1 717 . 1 1 57 57 MET HG2 H 1 2.558 0.020 . 2 . . . . 57 MET HG2 . 15834 1 718 . 1 1 57 57 MET HG3 H 1 2.558 0.020 . 2 . . . . 57 MET HG3 . 15834 1 719 . 1 1 57 57 MET C C 13 174.484 0.400 . 1 . . . . 57 MET C . 15834 1 720 . 1 1 57 57 MET CA C 13 53.397 0.400 . 1 . . . . 57 MET CA . 15834 1 721 . 1 1 57 57 MET CB C 13 34.144 0.400 . 1 . . . . 57 MET CB . 15834 1 722 . 1 1 57 57 MET CE C 13 16.892 0.400 . 1 . . . . 57 MET CE . 15834 1 723 . 1 1 57 57 MET CG C 13 31.706 0.400 . 1 . . . . 57 MET CG . 15834 1 724 . 1 1 57 57 MET N N 15 120.424 0.400 . 1 . . . . 57 MET N . 15834 1 725 . 1 1 58 58 LEU H H 1 8.413 0.020 . 1 . . . . 58 LEU H . 15834 1 726 . 1 1 58 58 LEU HA H 1 4.782 0.020 . 1 . . . . 58 LEU HA . 15834 1 727 . 1 1 58 58 LEU HB2 H 1 1.570 0.020 . 2 . . . . 58 LEU HB2 . 15834 1 728 . 1 1 58 58 LEU HB3 H 1 1.570 0.020 . 2 . . . . 58 LEU HB3 . 15834 1 729 . 1 1 58 58 LEU HD11 H 1 0.806 0.020 . 1 . . . . 58 LEU HD1 . 15834 1 730 . 1 1 58 58 LEU HD12 H 1 0.806 0.020 . 1 . . . . 58 LEU HD1 . 15834 1 731 . 1 1 58 58 LEU HD13 H 1 0.806 0.020 . 1 . . . . 58 LEU HD1 . 15834 1 732 . 1 1 58 58 LEU HD21 H 1 0.760 0.020 . 1 . . . . 58 LEU HD2 . 15834 1 733 . 1 1 58 58 LEU HD22 H 1 0.760 0.020 . 1 . . . . 58 LEU HD2 . 15834 1 734 . 1 1 58 58 LEU HD23 H 1 0.760 0.020 . 1 . . . . 58 LEU HD2 . 15834 1 735 . 1 1 58 58 LEU HG H 1 1.497 0.020 . 1 . . . . 58 LEU HG . 15834 1 736 . 1 1 58 58 LEU C C 13 176.045 0.400 . 1 . . . . 58 LEU C . 15834 1 737 . 1 1 58 58 LEU CA C 13 54.943 0.400 . 1 . . . . 58 LEU CA . 15834 1 738 . 1 1 58 58 LEU CB C 13 41.506 0.400 . 1 . . . . 58 LEU CB . 15834 1 739 . 1 1 58 58 LEU CD1 C 13 24.483 0.400 . 1 . . . . 58 LEU CD1 . 15834 1 740 . 1 1 58 58 LEU CD2 C 13 24.121 0.400 . 1 . . . . 58 LEU CD2 . 15834 1 741 . 1 1 58 58 LEU CG C 13 27.332 0.400 . 1 . . . . 58 LEU CG . 15834 1 742 . 1 1 58 58 LEU N N 15 125.670 0.400 . 1 . . . . 58 LEU N . 15834 1 743 . 1 1 59 59 LEU H H 1 9.252 0.020 . 1 . . . . 59 LEU H . 15834 1 744 . 1 1 59 59 LEU HA H 1 4.736 0.020 . 1 . . . . 59 LEU HA . 15834 1 745 . 1 1 59 59 LEU HB2 H 1 1.594 0.020 . 2 . . . . 59 LEU HB2 . 15834 1 746 . 1 1 59 59 LEU HB3 H 1 1.466 0.020 . 2 . . . . 59 LEU HB3 . 15834 1 747 . 1 1 59 59 LEU HD11 H 1 0.791 0.020 . 1 . . . . 59 LEU HD1 . 15834 1 748 . 1 1 59 59 LEU HD12 H 1 0.791 0.020 . 1 . . . . 59 LEU HD1 . 15834 1 749 . 1 1 59 59 LEU HD13 H 1 0.791 0.020 . 1 . . . . 59 LEU HD1 . 15834 1 750 . 1 1 59 59 LEU HD21 H 1 0.857 0.020 . 1 . . . . 59 LEU HD2 . 15834 1 751 . 1 1 59 59 LEU HD22 H 1 0.857 0.020 . 1 . . . . 59 LEU HD2 . 15834 1 752 . 1 1 59 59 LEU HD23 H 1 0.857 0.020 . 1 . . . . 59 LEU HD2 . 15834 1 753 . 1 1 59 59 LEU HG H 1 1.645 0.020 . 1 . . . . 59 LEU HG . 15834 1 754 . 1 1 59 59 LEU C C 13 175.115 0.400 . 1 . . . . 59 LEU C . 15834 1 755 . 1 1 59 59 LEU CA C 13 53.998 0.400 . 1 . . . . 59 LEU CA . 15834 1 756 . 1 1 59 59 LEU CB C 13 44.657 0.400 . 1 . . . . 59 LEU CB . 15834 1 757 . 1 1 59 59 LEU CD1 C 13 26.175 0.400 . 1 . . . . 59 LEU CD1 . 15834 1 758 . 1 1 59 59 LEU CD2 C 13 25.395 0.400 . 1 . . . . 59 LEU CD2 . 15834 1 759 . 1 1 59 59 LEU CG C 13 27.118 0.400 . 1 . . . . 59 LEU CG . 15834 1 760 . 1 1 59 59 LEU N N 15 126.617 0.400 . 1 . . . . 59 LEU N . 15834 1 761 . 1 1 60 60 THR H H 1 8.403 0.020 . 1 . . . . 60 THR H . 15834 1 762 . 1 1 60 60 THR HA H 1 4.957 0.020 . 1 . . . . 60 THR HA . 15834 1 763 . 1 1 60 60 THR HB H 1 3.915 0.020 . 1 . . . . 60 THR HB . 15834 1 764 . 1 1 60 60 THR HG21 H 1 1.097 0.020 . 1 . . . . 60 THR HG2 . 15834 1 765 . 1 1 60 60 THR HG22 H 1 1.097 0.020 . 1 . . . . 60 THR HG2 . 15834 1 766 . 1 1 60 60 THR HG23 H 1 1.097 0.020 . 1 . . . . 60 THR HG2 . 15834 1 767 . 1 1 60 60 THR C C 13 174.012 0.400 . 1 . . . . 60 THR C . 15834 1 768 . 1 1 60 60 THR CA C 13 61.267 0.400 . 1 . . . . 60 THR CA . 15834 1 769 . 1 1 60 60 THR CB C 13 69.462 0.400 . 1 . . . . 60 THR CB . 15834 1 770 . 1 1 60 60 THR CG2 C 13 21.886 0.400 . 1 . . . . 60 THR CG2 . 15834 1 771 . 1 1 60 60 THR N N 15 118.128 0.400 . 1 . . . . 60 THR N . 15834 1 772 . 1 1 61 61 MET H H 1 9.246 0.020 . 1 . . . . 61 MET H . 15834 1 773 . 1 1 61 61 MET HA H 1 4.739 0.020 . 1 . . . . 61 MET HA . 15834 1 774 . 1 1 61 61 MET HB2 H 1 1.912 0.020 . 2 . . . . 61 MET HB2 . 15834 1 775 . 1 1 61 61 MET HB3 H 1 1.912 0.020 . 2 . . . . 61 MET HB3 . 15834 1 776 . 1 1 61 61 MET HE1 H 1 1.699 0.020 . 1 . . . . 61 MET HE . 15834 1 777 . 1 1 61 61 MET HE2 H 1 1.699 0.020 . 1 . . . . 61 MET HE . 15834 1 778 . 1 1 61 61 MET HE3 H 1 1.699 0.020 . 1 . . . . 61 MET HE . 15834 1 779 . 1 1 61 61 MET HG2 H 1 2.255 0.020 . 2 . . . . 61 MET HG2 . 15834 1 780 . 1 1 61 61 MET HG3 H 1 2.255 0.020 . 2 . . . . 61 MET HG3 . 15834 1 781 . 1 1 61 61 MET C C 13 174.476 0.400 . 1 . . . . 61 MET C . 15834 1 782 . 1 1 61 61 MET CA C 13 53.696 0.400 . 1 . . . . 61 MET CA . 15834 1 783 . 1 1 61 61 MET CB C 13 35.896 0.400 . 1 . . . . 61 MET CB . 15834 1 784 . 1 1 61 61 MET CE C 13 16.830 0.400 . 1 . . . . 61 MET CE . 15834 1 785 . 1 1 61 61 MET CG C 13 31.087 0.400 . 1 . . . . 61 MET CG . 15834 1 786 . 1 1 61 61 MET N N 15 124.262 0.400 . 1 . . . . 61 MET N . 15834 1 787 . 1 1 62 62 ARG H H 1 8.878 0.020 . 1 . . . . 62 ARG H . 15834 1 788 . 1 1 62 62 ARG HA H 1 4.660 0.020 . 1 . . . . 62 ARG HA . 15834 1 789 . 1 1 62 62 ARG HB2 H 1 1.643 0.020 . 1 . . . . 62 ARG HB2 . 15834 1 790 . 1 1 62 62 ARG HB3 H 1 2.265 0.020 . 1 . . . . 62 ARG HB3 . 15834 1 791 . 1 1 62 62 ARG HD2 H 1 3.293 0.020 . 2 . . . . 62 ARG HD2 . 15834 1 792 . 1 1 62 62 ARG HD3 H 1 3.093 0.020 . 2 . . . . 62 ARG HD3 . 15834 1 793 . 1 1 62 62 ARG HE H 1 7.686 0.020 . 1 . . . . 62 ARG HE . 15834 1 794 . 1 1 62 62 ARG HG2 H 1 1.870 0.020 . 2 . . . . 62 ARG HG2 . 15834 1 795 . 1 1 62 62 ARG HG3 H 1 1.679 0.020 . 2 . . . . 62 ARG HG3 . 15834 1 796 . 1 1 62 62 ARG C C 13 178.755 0.400 . 1 . . . . 62 ARG C . 15834 1 797 . 1 1 62 62 ARG CA C 13 53.709 0.400 . 1 . . . . 62 ARG CA . 15834 1 798 . 1 1 62 62 ARG CB C 13 29.886 0.400 . 1 . . . . 62 ARG CB . 15834 1 799 . 1 1 62 62 ARG CD C 13 41.595 0.400 . 1 . . . . 62 ARG CD . 15834 1 800 . 1 1 62 62 ARG CG C 13 26.621 0.400 . 1 . . . . 62 ARG CG . 15834 1 801 . 1 1 62 62 ARG N N 15 120.225 0.400 . 1 . . . . 62 ARG N . 15834 1 802 . 1 1 62 62 ARG NE N 15 83.396 0.400 . 1 . . . . 62 ARG NE . 15834 1 803 . 1 1 63 63 ARG H H 1 9.324 0.020 . 1 . . . . 63 ARG H . 15834 1 804 . 1 1 63 63 ARG HA H 1 3.794 0.020 . 1 . . . . 63 ARG HA . 15834 1 805 . 1 1 63 63 ARG HB2 H 1 1.938 0.020 . 1 . . . . 63 ARG HB2 . 15834 1 806 . 1 1 63 63 ARG HB3 H 1 1.802 0.020 . 1 . . . . 63 ARG HB3 . 15834 1 807 . 1 1 63 63 ARG HD2 H 1 3.248 0.020 . 2 . . . . 63 ARG HD2 . 15834 1 808 . 1 1 63 63 ARG HD3 H 1 3.248 0.020 . 2 . . . . 63 ARG HD3 . 15834 1 809 . 1 1 63 63 ARG HG2 H 1 1.670 0.020 . 2 . . . . 63 ARG HG2 . 15834 1 810 . 1 1 63 63 ARG HG3 H 1 1.612 0.020 . 2 . . . . 63 ARG HG3 . 15834 1 811 . 1 1 63 63 ARG C C 13 177.519 0.400 . 1 . . . . 63 ARG C . 15834 1 812 . 1 1 63 63 ARG CA C 13 60.380 0.400 . 1 . . . . 63 ARG CA . 15834 1 813 . 1 1 63 63 ARG CB C 13 29.325 0.400 . 1 . . . . 63 ARG CB . 15834 1 814 . 1 1 63 63 ARG CD C 13 42.899 0.400 . 1 . . . . 63 ARG CD . 15834 1 815 . 1 1 63 63 ARG CG C 13 27.586 0.400 . 1 . . . . 63 ARG CG . 15834 1 816 . 1 1 63 63 ARG N N 15 125.747 0.400 . 1 . . . . 63 ARG N . 15834 1 817 . 1 1 64 64 ASN H H 1 8.819 0.020 . 1 . . . . 64 ASN H . 15834 1 818 . 1 1 64 64 ASN HA H 1 4.381 0.020 . 1 . . . . 64 ASN HA . 15834 1 819 . 1 1 64 64 ASN HB2 H 1 2.817 0.020 . 2 . . . . 64 ASN HB2 . 15834 1 820 . 1 1 64 64 ASN HB3 H 1 2.694 0.020 . 2 . . . . 64 ASN HB3 . 15834 1 821 . 1 1 64 64 ASN HD21 H 1 7.620 0.020 . 2 . . . . 64 ASN HD21 . 15834 1 822 . 1 1 64 64 ASN HD22 H 1 6.836 0.020 . 2 . . . . 64 ASN HD22 . 15834 1 823 . 1 1 64 64 ASN C C 13 177.296 0.400 . 1 . . . . 64 ASN C . 15834 1 824 . 1 1 64 64 ASN CA C 13 55.991 0.400 . 1 . . . . 64 ASN CA . 15834 1 825 . 1 1 64 64 ASN CB C 13 37.207 0.400 . 1 . . . . 64 ASN CB . 15834 1 826 . 1 1 64 64 ASN N N 15 113.395 0.400 . 1 . . . . 64 ASN N . 15834 1 827 . 1 1 64 64 ASN ND2 N 15 112.410 0.400 . 1 . . . . 64 ASN ND2 . 15834 1 828 . 1 1 65 65 GLU H H 1 7.048 0.020 . 1 . . . . 65 GLU H . 15834 1 829 . 1 1 65 65 GLU HA H 1 4.084 0.020 . 1 . . . . 65 GLU HA . 15834 1 830 . 1 1 65 65 GLU HB2 H 1 2.463 0.020 . 1 . . . . 65 GLU HB2 . 15834 1 831 . 1 1 65 65 GLU HB3 H 1 1.796 0.020 . 1 . . . . 65 GLU HB3 . 15834 1 832 . 1 1 65 65 GLU HG2 H 1 2.299 0.020 . 2 . . . . 65 GLU HG2 . 15834 1 833 . 1 1 65 65 GLU HG3 H 1 2.222 0.020 . 2 . . . . 65 GLU HG3 . 15834 1 834 . 1 1 65 65 GLU C C 13 178.468 0.400 . 1 . . . . 65 GLU C . 15834 1 835 . 1 1 65 65 GLU CA C 13 57.977 0.400 . 1 . . . . 65 GLU CA . 15834 1 836 . 1 1 65 65 GLU CB C 13 29.730 0.400 . 1 . . . . 65 GLU CB . 15834 1 837 . 1 1 65 65 GLU CG C 13 36.768 0.400 . 1 . . . . 65 GLU CG . 15834 1 838 . 1 1 65 65 GLU N N 15 118.745 0.400 . 1 . . . . 65 GLU N . 15834 1 839 . 1 1 66 66 ALA H H 1 7.934 0.020 . 1 . . . . 66 ALA H . 15834 1 840 . 1 1 66 66 ALA HA H 1 4.008 0.020 . 1 . . . . 66 ALA HA . 15834 1 841 . 1 1 66 66 ALA HB1 H 1 1.332 0.020 . 1 . . . . 66 ALA HB . 15834 1 842 . 1 1 66 66 ALA HB2 H 1 1.332 0.020 . 1 . . . . 66 ALA HB . 15834 1 843 . 1 1 66 66 ALA HB3 H 1 1.332 0.020 . 1 . . . . 66 ALA HB . 15834 1 844 . 1 1 66 66 ALA C C 13 178.730 0.400 . 1 . . . . 66 ALA C . 15834 1 845 . 1 1 66 66 ALA CA C 13 54.518 0.400 . 1 . . . . 66 ALA CA . 15834 1 846 . 1 1 66 66 ALA CB C 13 18.763 0.400 . 1 . . . . 66 ALA CB . 15834 1 847 . 1 1 66 66 ALA N N 15 121.232 0.400 . 1 . . . . 66 ALA N . 15834 1 848 . 1 1 67 67 GLU H H 1 7.982 0.020 . 1 . . . . 67 GLU H . 15834 1 849 . 1 1 67 67 GLU HA H 1 4.220 0.020 . 1 . . . . 67 GLU HA . 15834 1 850 . 1 1 67 67 GLU HB2 H 1 2.062 0.020 . 2 . . . . 67 GLU HB2 . 15834 1 851 . 1 1 67 67 GLU HB3 H 1 2.062 0.020 . 2 . . . . 67 GLU HB3 . 15834 1 852 . 1 1 67 67 GLU HG2 H 1 2.475 0.020 . 2 . . . . 67 GLU HG2 . 15834 1 853 . 1 1 67 67 GLU HG3 H 1 2.364 0.020 . 2 . . . . 67 GLU HG3 . 15834 1 854 . 1 1 67 67 GLU C C 13 176.441 0.400 . 1 . . . . 67 GLU C . 15834 1 855 . 1 1 67 67 GLU CA C 13 57.960 0.400 . 1 . . . . 67 GLU CA . 15834 1 856 . 1 1 67 67 GLU CB C 13 29.922 0.400 . 1 . . . . 67 GLU CB . 15834 1 857 . 1 1 67 67 GLU CG C 13 36.318 0.400 . 1 . . . . 67 GLU CG . 15834 1 858 . 1 1 67 67 GLU N N 15 117.090 0.400 . 1 . . . . 67 GLU N . 15834 1 859 . 1 1 68 68 GLY H H 1 7.458 0.020 . 1 . . . . 68 GLY H . 15834 1 860 . 1 1 68 68 GLY HA2 H 1 4.421 0.020 . 2 . . . . 68 GLY HA2 . 15834 1 861 . 1 1 68 68 GLY HA3 H 1 3.902 0.020 . 2 . . . . 68 GLY HA3 . 15834 1 862 . 1 1 68 68 GLY C C 13 173.846 0.400 . 1 . . . . 68 GLY C . 15834 1 863 . 1 1 68 68 GLY CA C 13 44.625 0.400 . 1 . . . . 68 GLY CA . 15834 1 864 . 1 1 68 68 GLY N N 15 102.707 0.400 . 1 . . . . 68 GLY N . 15834 1 865 . 1 1 69 69 ILE H H 1 7.621 0.020 . 1 . . . . 69 ILE H . 15834 1 866 . 1 1 69 69 ILE HA H 1 4.683 0.020 . 1 . . . . 69 ILE HA . 15834 1 867 . 1 1 69 69 ILE HB H 1 2.091 0.020 . 1 . . . . 69 ILE HB . 15834 1 868 . 1 1 69 69 ILE HD11 H 1 0.735 0.020 . 1 . . . . 69 ILE HD1 . 15834 1 869 . 1 1 69 69 ILE HD12 H 1 0.735 0.020 . 1 . . . . 69 ILE HD1 . 15834 1 870 . 1 1 69 69 ILE HD13 H 1 0.735 0.020 . 1 . . . . 69 ILE HD1 . 15834 1 871 . 1 1 69 69 ILE HG12 H 1 1.622 0.020 . 2 . . . . 69 ILE HG12 . 15834 1 872 . 1 1 69 69 ILE HG13 H 1 1.208 0.020 . 2 . . . . 69 ILE HG13 . 15834 1 873 . 1 1 69 69 ILE HG21 H 1 0.813 0.020 . 1 . . . . 69 ILE HG2 . 15834 1 874 . 1 1 69 69 ILE HG22 H 1 0.813 0.020 . 1 . . . . 69 ILE HG2 . 15834 1 875 . 1 1 69 69 ILE HG23 H 1 0.813 0.020 . 1 . . . . 69 ILE HG2 . 15834 1 876 . 1 1 69 69 ILE C C 13 175.181 0.400 . 1 . . . . 69 ILE C . 15834 1 877 . 1 1 69 69 ILE CA C 13 59.678 0.400 . 1 . . . . 69 ILE CA . 15834 1 878 . 1 1 69 69 ILE CB C 13 38.043 0.400 . 1 . . . . 69 ILE CB . 15834 1 879 . 1 1 69 69 ILE CD1 C 13 14.000 0.400 . 1 . . . . 69 ILE CD1 . 15834 1 880 . 1 1 69 69 ILE CG1 C 13 27.121 0.400 . 1 . . . . 69 ILE CG1 . 15834 1 881 . 1 1 69 69 ILE CG2 C 13 18.339 0.400 . 1 . . . . 69 ILE CG2 . 15834 1 882 . 1 1 69 69 ILE N N 15 123.794 0.400 . 1 . . . . 69 ILE N . 15834 1 883 . 1 1 70 70 THR H H 1 8.802 0.020 . 1 . . . . 70 THR H . 15834 1 884 . 1 1 70 70 THR HA H 1 4.905 0.020 . 1 . . . . 70 THR HA . 15834 1 885 . 1 1 70 70 THR HB H 1 4.098 0.020 . 1 . . . . 70 THR HB . 15834 1 886 . 1 1 70 70 THR HG21 H 1 1.197 0.020 . 1 . . . . 70 THR HG2 . 15834 1 887 . 1 1 70 70 THR HG22 H 1 1.197 0.020 . 1 . . . . 70 THR HG2 . 15834 1 888 . 1 1 70 70 THR HG23 H 1 1.197 0.020 . 1 . . . . 70 THR HG2 . 15834 1 889 . 1 1 70 70 THR C C 13 174.855 0.400 . 1 . . . . 70 THR C . 15834 1 890 . 1 1 70 70 THR CA C 13 62.549 0.400 . 1 . . . . 70 THR CA . 15834 1 891 . 1 1 70 70 THR CB C 13 68.762 0.400 . 1 . . . . 70 THR CB . 15834 1 892 . 1 1 70 70 THR CG2 C 13 21.218 0.400 . 1 . . . . 70 THR CG2 . 15834 1 893 . 1 1 70 70 THR N N 15 124.231 0.400 . 1 . . . . 70 THR N . 15834 1 894 . 1 1 71 71 VAL H H 1 8.807 0.020 . 1 . . . . 71 VAL H . 15834 1 895 . 1 1 71 71 VAL HA H 1 5.477 0.020 . 1 . . . . 71 VAL HA . 15834 1 896 . 1 1 71 71 VAL HB H 1 1.938 0.020 . 1 . . . . 71 VAL HB . 15834 1 897 . 1 1 71 71 VAL HG11 H 1 0.680 0.020 . 1 . . . . 71 VAL HG1 . 15834 1 898 . 1 1 71 71 VAL HG12 H 1 0.680 0.020 . 1 . . . . 71 VAL HG1 . 15834 1 899 . 1 1 71 71 VAL HG13 H 1 0.680 0.020 . 1 . . . . 71 VAL HG1 . 15834 1 900 . 1 1 71 71 VAL HG21 H 1 0.440 0.020 . 1 . . . . 71 VAL HG2 . 15834 1 901 . 1 1 71 71 VAL HG22 H 1 0.440 0.020 . 1 . . . . 71 VAL HG2 . 15834 1 902 . 1 1 71 71 VAL HG23 H 1 0.440 0.020 . 1 . . . . 71 VAL HG2 . 15834 1 903 . 1 1 71 71 VAL C C 13 174.111 0.400 . 1 . . . . 71 VAL C . 15834 1 904 . 1 1 71 71 VAL CA C 13 57.779 0.400 . 1 . . . . 71 VAL CA . 15834 1 905 . 1 1 71 71 VAL CB C 13 35.881 0.400 . 1 . . . . 71 VAL CB . 15834 1 906 . 1 1 71 71 VAL CG1 C 13 22.137 0.400 . 1 . . . . 71 VAL CG1 . 15834 1 907 . 1 1 71 71 VAL CG2 C 13 17.507 0.400 . 1 . . . . 71 VAL CG2 . 15834 1 908 . 1 1 71 71 VAL N N 15 116.680 0.400 . 1 . . . . 71 VAL N . 15834 1 909 . 1 1 72 72 HIS H H 1 8.848 0.020 . 1 . . . . 72 HIS H . 15834 1 910 . 1 1 72 72 HIS HA H 1 5.085 0.020 . 1 . . . . 72 HIS HA . 15834 1 911 . 1 1 72 72 HIS HB2 H 1 3.050 0.020 . 2 . . . . 72 HIS HB2 . 15834 1 912 . 1 1 72 72 HIS HB3 H 1 3.050 0.020 . 2 . . . . 72 HIS HB3 . 15834 1 913 . 1 1 72 72 HIS HD2 H 1 7.092 0.020 . 1 . . . . 72 HIS HD2 . 15834 1 914 . 1 1 72 72 HIS HE1 H 1 8.195 0.020 . 1 . . . . 72 HIS HE1 . 15834 1 915 . 1 1 72 72 HIS C C 13 174.602 0.400 . 1 . . . . 72 HIS C . 15834 1 916 . 1 1 72 72 HIS CA C 13 53.402 0.400 . 1 . . . . 72 HIS CA . 15834 1 917 . 1 1 72 72 HIS CB C 13 31.707 0.400 . 1 . . . . 72 HIS CB . 15834 1 918 . 1 1 72 72 HIS CD2 C 13 119.891 0.400 . 1 . . . . 72 HIS CD2 . 15834 1 919 . 1 1 72 72 HIS CE1 C 13 136.930 0.400 . 1 . . . . 72 HIS CE1 . 15834 1 920 . 1 1 72 72 HIS N N 15 118.784 0.400 . 1 . . . . 72 HIS N . 15834 1 921 . 1 1 72 72 HIS ND1 N 15 195.614 0.400 . 1 . . . . 72 HIS ND1 . 15834 1 922 . 1 1 72 72 HIS NE2 N 15 178.180 0.400 . 1 . . . . 72 HIS NE2 . 15834 1 923 . 1 1 73 73 ILE H H 1 8.606 0.020 . 1 . . . . 73 ILE H . 15834 1 924 . 1 1 73 73 ILE HA H 1 4.085 0.020 . 1 . . . . 73 ILE HA . 15834 1 925 . 1 1 73 73 ILE HB H 1 1.705 0.020 . 1 . . . . 73 ILE HB . 15834 1 926 . 1 1 73 73 ILE HD11 H 1 0.850 0.020 . 1 . . . . 73 ILE HD1 . 15834 1 927 . 1 1 73 73 ILE HD12 H 1 0.850 0.020 . 1 . . . . 73 ILE HD1 . 15834 1 928 . 1 1 73 73 ILE HD13 H 1 0.850 0.020 . 1 . . . . 73 ILE HD1 . 15834 1 929 . 1 1 73 73 ILE HG12 H 1 1.601 0.020 . 2 . . . . 73 ILE HG12 . 15834 1 930 . 1 1 73 73 ILE HG13 H 1 1.150 0.020 . 2 . . . . 73 ILE HG13 . 15834 1 931 . 1 1 73 73 ILE HG21 H 1 0.901 0.020 . 1 . . . . 73 ILE HG2 . 15834 1 932 . 1 1 73 73 ILE HG22 H 1 0.901 0.020 . 1 . . . . 73 ILE HG2 . 15834 1 933 . 1 1 73 73 ILE HG23 H 1 0.901 0.020 . 1 . . . . 73 ILE HG2 . 15834 1 934 . 1 1 73 73 ILE C C 13 174.837 0.400 . 1 . . . . 73 ILE C . 15834 1 935 . 1 1 73 73 ILE CA C 13 61.719 0.400 . 1 . . . . 73 ILE CA . 15834 1 936 . 1 1 73 73 ILE CB C 13 38.478 0.400 . 1 . . . . 73 ILE CB . 15834 1 937 . 1 1 73 73 ILE CD1 C 13 12.924 0.400 . 1 . . . . 73 ILE CD1 . 15834 1 938 . 1 1 73 73 ILE CG1 C 13 28.918 0.400 . 1 . . . . 73 ILE CG1 . 15834 1 939 . 1 1 73 73 ILE CG2 C 13 17.066 0.400 . 1 . . . . 73 ILE CG2 . 15834 1 940 . 1 1 73 73 ILE N N 15 127.152 0.400 . 1 . . . . 73 ILE N . 15834 1 941 . 1 1 74 74 LEU H H 1 8.210 0.020 . 1 . . . . 74 LEU H . 15834 1 942 . 1 1 74 74 LEU HA H 1 4.476 0.020 . 1 . . . . 74 LEU HA . 15834 1 943 . 1 1 74 74 LEU HB2 H 1 1.409 0.020 . 2 . . . . 74 LEU HB2 . 15834 1 944 . 1 1 74 74 LEU HB3 H 1 1.409 0.020 . 2 . . . . 74 LEU HB3 . 15834 1 945 . 1 1 74 74 LEU HD11 H 1 0.816 0.020 . 1 . . . . 74 LEU HD1 . 15834 1 946 . 1 1 74 74 LEU HD12 H 1 0.816 0.020 . 1 . . . . 74 LEU HD1 . 15834 1 947 . 1 1 74 74 LEU HD13 H 1 0.816 0.020 . 1 . . . . 74 LEU HD1 . 15834 1 948 . 1 1 74 74 LEU HD21 H 1 0.835 0.020 . 1 . . . . 74 LEU HD2 . 15834 1 949 . 1 1 74 74 LEU HD22 H 1 0.835 0.020 . 1 . . . . 74 LEU HD2 . 15834 1 950 . 1 1 74 74 LEU HD23 H 1 0.835 0.020 . 1 . . . . 74 LEU HD2 . 15834 1 951 . 1 1 74 74 LEU HG H 1 1.527 0.020 . 1 . . . . 74 LEU HG . 15834 1 952 . 1 1 74 74 LEU C C 13 175.868 0.400 . 1 . . . . 74 LEU C . 15834 1 953 . 1 1 74 74 LEU CA C 13 53.380 0.400 . 1 . . . . 74 LEU CA . 15834 1 954 . 1 1 74 74 LEU CB C 13 42.860 0.400 . 1 . . . . 74 LEU CB . 15834 1 955 . 1 1 74 74 LEU CD1 C 13 25.809 0.400 . 1 . . . . 74 LEU CD1 . 15834 1 956 . 1 1 74 74 LEU CD2 C 13 22.773 0.400 . 1 . . . . 74 LEU CD2 . 15834 1 957 . 1 1 74 74 LEU CG C 13 26.696 0.400 . 1 . . . . 74 LEU CG . 15834 1 958 . 1 1 74 74 LEU N N 15 127.563 0.400 . 1 . . . . 74 LEU N . 15834 1 959 . 1 1 75 75 ALA H H 1 8.352 0.020 . 1 . . . . 75 ALA H . 15834 1 960 . 1 1 75 75 ALA HA H 1 4.373 0.020 . 1 . . . . 75 ALA HA . 15834 1 961 . 1 1 75 75 ALA HB1 H 1 1.377 0.020 . 1 . . . . 75 ALA HB . 15834 1 962 . 1 1 75 75 ALA HB2 H 1 1.377 0.020 . 1 . . . . 75 ALA HB . 15834 1 963 . 1 1 75 75 ALA HB3 H 1 1.377 0.020 . 1 . . . . 75 ALA HB . 15834 1 964 . 1 1 75 75 ALA C C 13 177.876 0.400 . 1 . . . . 75 ALA C . 15834 1 965 . 1 1 75 75 ALA CA C 13 51.823 0.400 . 1 . . . . 75 ALA CA . 15834 1 966 . 1 1 75 75 ALA CB C 13 19.704 0.400 . 1 . . . . 75 ALA CB . 15834 1 967 . 1 1 75 75 ALA N N 15 125.186 0.400 . 1 . . . . 75 ALA N . 15834 1 968 . 1 1 76 76 GLY H H 1 8.430 0.020 . 1 . . . . 76 GLY H . 15834 1 969 . 1 1 76 76 GLY HA2 H 1 3.949 0.020 . 2 . . . . 76 GLY HA2 . 15834 1 970 . 1 1 76 76 GLY HA3 H 1 3.949 0.020 . 2 . . . . 76 GLY HA3 . 15834 1 971 . 1 1 76 76 GLY C C 13 173.784 0.400 . 1 . . . . 76 GLY C . 15834 1 972 . 1 1 76 76 GLY CA C 13 45.109 0.400 . 1 . . . . 76 GLY CA . 15834 1 973 . 1 1 76 76 GLY N N 15 108.145 0.400 . 1 . . . . 76 GLY N . 15834 1 974 . 1 1 77 77 ASP H H 1 8.327 0.020 . 1 . . . . 77 ASP H . 15834 1 975 . 1 1 77 77 ASP HA H 1 4.585 0.020 . 1 . . . . 77 ASP HA . 15834 1 976 . 1 1 77 77 ASP HB2 H 1 2.633 0.020 . 2 . . . . 77 ASP HB2 . 15834 1 977 . 1 1 77 77 ASP HB3 H 1 2.633 0.020 . 2 . . . . 77 ASP HB3 . 15834 1 978 . 1 1 77 77 ASP C C 13 176.358 0.400 . 1 . . . . 77 ASP C . 15834 1 979 . 1 1 77 77 ASP CA C 13 53.823 0.400 . 1 . . . . 77 ASP CA . 15834 1 980 . 1 1 77 77 ASP CB C 13 41.163 0.400 . 1 . . . . 77 ASP CB . 15834 1 981 . 1 1 77 77 ASP N N 15 120.248 0.400 . 1 . . . . 77 ASP N . 15834 1 982 . 1 1 78 78 GLU H H 1 8.516 0.020 . 1 . . . . 78 GLU H . 15834 1 983 . 1 1 78 78 GLU HA H 1 4.157 0.020 . 1 . . . . 78 GLU HA . 15834 1 984 . 1 1 78 78 GLU HB2 H 1 2.016 0.020 . 2 . . . . 78 GLU HB2 . 15834 1 985 . 1 1 78 78 GLU HB3 H 1 1.902 0.020 . 2 . . . . 78 GLU HB3 . 15834 1 986 . 1 1 78 78 GLU HG2 H 1 2.221 0.020 . 2 . . . . 78 GLU HG2 . 15834 1 987 . 1 1 78 78 GLU HG3 H 1 2.221 0.020 . 2 . . . . 78 GLU HG3 . 15834 1 988 . 1 1 78 78 GLU C C 13 176.823 0.400 . 1 . . . . 78 GLU C . 15834 1 989 . 1 1 78 78 GLU CA C 13 56.900 0.400 . 1 . . . . 78 GLU CA . 15834 1 990 . 1 1 78 78 GLU CB C 13 29.779 0.400 . 1 . . . . 78 GLU CB . 15834 1 991 . 1 1 78 78 GLU CG C 13 36.103 0.400 . 1 . . . . 78 GLU CG . 15834 1 992 . 1 1 78 78 GLU N N 15 120.952 0.400 . 1 . . . . 78 GLU N . 15834 1 993 . 1 1 79 79 GLY H H 1 8.378 0.020 . 1 . . . . 79 GLY H . 15834 1 994 . 1 1 79 79 GLY HA2 H 1 3.783 0.020 . 2 . . . . 79 GLY HA2 . 15834 1 995 . 1 1 79 79 GLY HA3 H 1 3.783 0.020 . 2 . . . . 79 GLY HA3 . 15834 1 996 . 1 1 79 79 GLY C C 13 173.428 0.400 . 1 . . . . 79 GLY C . 15834 1 997 . 1 1 79 79 GLY CA C 13 45.014 0.400 . 1 . . . . 79 GLY CA . 15834 1 998 . 1 1 79 79 GLY N N 15 108.768 0.400 . 1 . . . . 79 GLY N . 15834 1 999 . 1 1 80 80 HIS H H 1 7.999 0.020 . 1 . . . . 80 HIS H . 15834 1 1000 . 1 1 80 80 HIS HA H 1 4.739 0.020 . 1 . . . . 80 HIS HA . 15834 1 1001 . 1 1 80 80 HIS HB2 H 1 2.834 0.020 . 2 . . . . 80 HIS HB2 . 15834 1 1002 . 1 1 80 80 HIS HB3 H 1 2.834 0.020 . 2 . . . . 80 HIS HB3 . 15834 1 1003 . 1 1 80 80 HIS HD2 H 1 6.838 0.020 . 1 . . . . 80 HIS HD2 . 15834 1 1004 . 1 1 80 80 HIS HE1 H 1 7.926 0.020 . 1 . . . . 80 HIS HE1 . 15834 1 1005 . 1 1 80 80 HIS CA C 13 53.693 0.400 . 1 . . . . 80 HIS CA . 15834 1 1006 . 1 1 80 80 HIS CB C 13 29.355 0.400 . 1 . . . . 80 HIS CB . 15834 1 1007 . 1 1 80 80 HIS CD2 C 13 119.764 0.400 . 1 . . . . 80 HIS CD2 . 15834 1 1008 . 1 1 80 80 HIS CE1 C 13 137.455 0.400 . 1 . . . . 80 HIS CE1 . 15834 1 1009 . 1 1 80 80 HIS N N 15 119.160 0.400 . 1 . . . . 80 HIS N . 15834 1 1010 . 1 1 80 80 HIS ND1 N 15 201.675 0.400 . 1 . . . . 80 HIS ND1 . 15834 1 1011 . 1 1 80 80 HIS NE2 N 15 177.574 0.400 . 1 . . . . 80 HIS NE2 . 15834 1 1012 . 1 1 81 81 PRO HA H 1 4.317 0.020 . 1 . . . . 81 PRO HA . 15834 1 1013 . 1 1 81 81 PRO HB2 H 1 2.157 0.020 . 2 . . . . 81 PRO HB2 . 15834 1 1014 . 1 1 81 81 PRO HB3 H 1 1.759 0.020 . 2 . . . . 81 PRO HB3 . 15834 1 1015 . 1 1 81 81 PRO HD2 H 1 3.597 0.020 . 2 . . . . 81 PRO HD2 . 15834 1 1016 . 1 1 81 81 PRO HD3 H 1 3.351 0.020 . 2 . . . . 81 PRO HD3 . 15834 1 1017 . 1 1 81 81 PRO HG2 H 1 1.891 0.020 . 2 . . . . 81 PRO HG2 . 15834 1 1018 . 1 1 81 81 PRO HG3 H 1 1.804 0.020 . 2 . . . . 81 PRO HG3 . 15834 1 1019 . 1 1 81 81 PRO C C 13 176.758 0.400 . 1 . . . . 81 PRO C . 15834 1 1020 . 1 1 81 81 PRO CA C 13 63.167 0.400 . 1 . . . . 81 PRO CA . 15834 1 1021 . 1 1 81 81 PRO CB C 13 31.734 0.400 . 1 . . . . 81 PRO CB . 15834 1 1022 . 1 1 81 81 PRO CD C 13 50.333 0.400 . 1 . . . . 81 PRO CD . 15834 1 1023 . 1 1 81 81 PRO CG C 13 27.132 0.400 . 1 . . . . 81 PRO CG . 15834 1 1024 . 1 1 82 82 HIS H H 1 8.597 0.020 . 1 . . . . 82 HIS H . 15834 1 1025 . 1 1 82 82 HIS HA H 1 4.514 0.020 . 1 . . . . 82 HIS HA . 15834 1 1026 . 1 1 82 82 HIS HB2 H 1 3.050 0.020 . 2 . . . . 82 HIS HB2 . 15834 1 1027 . 1 1 82 82 HIS HB3 H 1 3.050 0.020 . 2 . . . . 82 HIS HB3 . 15834 1 1028 . 1 1 82 82 HIS HD2 H 1 7.031 0.020 . 1 . . . . 82 HIS HD2 . 15834 1 1029 . 1 1 82 82 HIS C C 13 175.884 0.400 . 1 . . . . 82 HIS C . 15834 1 1030 . 1 1 82 82 HIS CA C 13 56.381 0.400 . 1 . . . . 82 HIS CA . 15834 1 1031 . 1 1 82 82 HIS CB C 13 29.949 0.400 . 1 . . . . 82 HIS CB . 15834 1 1032 . 1 1 82 82 HIS CD2 C 13 119.822 0.400 . 1 . . . . 82 HIS CD2 . 15834 1 1033 . 1 1 82 82 HIS N N 15 119.278 0.400 . 1 . . . . 82 HIS N . 15834 1 1034 . 1 1 82 82 HIS ND1 N 15 208.805 0.400 . 1 . . . . 82 HIS ND1 . 15834 1 1035 . 1 1 82 82 HIS NE2 N 15 178.549 0.400 . 1 . . . . 82 HIS NE2 . 15834 1 1036 . 1 1 83 83 GLY H H 1 8.263 0.020 . 1 . . . . 83 GLY H . 15834 1 1037 . 1 1 83 83 GLY HA2 H 1 3.901 0.020 . 2 . . . . 83 GLY HA2 . 15834 1 1038 . 1 1 83 83 GLY HA3 H 1 3.756 0.020 . 2 . . . . 83 GLY HA3 . 15834 1 1039 . 1 1 83 83 GLY C C 13 173.541 0.400 . 1 . . . . 83 GLY C . 15834 1 1040 . 1 1 83 83 GLY CA C 13 44.937 0.400 . 1 . . . . 83 GLY CA . 15834 1 1041 . 1 1 83 83 GLY N N 15 110.039 0.400 . 1 . . . . 83 GLY N . 15834 1 1042 . 1 1 84 84 TRP H H 1 8.074 0.020 . 1 . . . . 84 TRP H . 15834 1 1043 . 1 1 84 84 TRP HA H 1 4.885 0.020 . 1 . . . . 84 TRP HA . 15834 1 1044 . 1 1 84 84 TRP HB2 H 1 3.221 0.020 . 2 . . . . 84 TRP HB2 . 15834 1 1045 . 1 1 84 84 TRP HB3 H 1 3.160 0.020 . 2 . . . . 84 TRP HB3 . 15834 1 1046 . 1 1 84 84 TRP HD1 H 1 7.180 0.020 . 1 . . . . 84 TRP HD1 . 15834 1 1047 . 1 1 84 84 TRP HE1 H 1 10.091 0.020 . 1 . . . . 84 TRP HE1 . 15834 1 1048 . 1 1 84 84 TRP HE3 H 1 7.294 0.020 . 1 . . . . 84 TRP HE3 . 15834 1 1049 . 1 1 84 84 TRP HH2 H 1 7.060 0.020 . 1 . . . . 84 TRP HH2 . 15834 1 1050 . 1 1 84 84 TRP HZ2 H 1 7.277 0.020 . 1 . . . . 84 TRP HZ2 . 15834 1 1051 . 1 1 84 84 TRP HZ3 H 1 6.938 0.020 . 1 . . . . 84 TRP HZ3 . 15834 1 1052 . 1 1 84 84 TRP CA C 13 55.087 0.400 . 1 . . . . 84 TRP CA . 15834 1 1053 . 1 1 84 84 TRP CB C 13 28.893 0.400 . 1 . . . . 84 TRP CB . 15834 1 1054 . 1 1 84 84 TRP CD1 C 13 126.868 0.400 . 1 . . . . 84 TRP CD1 . 15834 1 1055 . 1 1 84 84 TRP CE3 C 13 120.331 0.400 . 1 . . . . 84 TRP CE3 . 15834 1 1056 . 1 1 84 84 TRP CH2 C 13 124.502 0.400 . 1 . . . . 84 TRP CH2 . 15834 1 1057 . 1 1 84 84 TRP CZ2 C 13 114.239 0.400 . 1 . . . . 84 TRP CZ2 . 15834 1 1058 . 1 1 84 84 TRP CZ3 C 13 122.020 0.400 . 1 . . . . 84 TRP CZ3 . 15834 1 1059 . 1 1 84 84 TRP N N 15 122.660 0.400 . 1 . . . . 84 TRP N . 15834 1 1060 . 1 1 84 84 TRP NE1 N 15 129.915 0.400 . 1 . . . . 84 TRP NE1 . 15834 1 1061 . 1 1 85 85 PRO HA H 1 4.302 0.020 . 1 . . . . 85 PRO HA . 15834 1 1062 . 1 1 85 85 PRO HB2 H 1 2.152 0.020 . 2 . . . . 85 PRO HB2 . 15834 1 1063 . 1 1 85 85 PRO HB3 H 1 1.756 0.020 . 2 . . . . 85 PRO HB3 . 15834 1 1064 . 1 1 85 85 PRO HD2 H 1 3.793 0.020 . 2 . . . . 85 PRO HD2 . 15834 1 1065 . 1 1 85 85 PRO HD3 H 1 3.406 0.020 . 2 . . . . 85 PRO HD3 . 15834 1 1066 . 1 1 85 85 PRO HG2 H 1 1.845 0.020 . 2 . . . . 85 PRO HG2 . 15834 1 1067 . 1 1 85 85 PRO HG3 H 1 1.845 0.020 . 2 . . . . 85 PRO HG3 . 15834 1 1068 . 1 1 85 85 PRO C C 13 177.125 0.400 . 1 . . . . 85 PRO C . 15834 1 1069 . 1 1 85 85 PRO CA C 13 63.474 0.400 . 1 . . . . 85 PRO CA . 15834 1 1070 . 1 1 85 85 PRO CB C 13 31.535 0.400 . 1 . . . . 85 PRO CB . 15834 1 1071 . 1 1 85 85 PRO CD C 13 50.758 0.400 . 1 . . . . 85 PRO CD . 15834 1 1072 . 1 1 85 85 PRO CG C 13 27.124 0.400 . 1 . . . . 85 PRO CG . 15834 1 1073 . 1 1 86 86 GLY H H 1 7.132 0.020 . 1 . . . . 86 GLY H . 15834 1 1074 . 1 1 86 86 GLY HA2 H 1 3.451 0.020 . 2 . . . . 86 GLY HA2 . 15834 1 1075 . 1 1 86 86 GLY HA3 H 1 3.451 0.020 . 2 . . . . 86 GLY HA3 . 15834 1 1076 . 1 1 86 86 GLY C C 13 173.958 0.400 . 1 . . . . 86 GLY C . 15834 1 1077 . 1 1 86 86 GLY CA C 13 45.049 0.400 . 1 . . . . 86 GLY CA . 15834 1 1078 . 1 1 86 86 GLY N N 15 106.987 0.400 . 1 . . . . 86 GLY N . 15834 1 1079 . 1 1 87 87 PHE H H 1 7.787 0.020 . 1 . . . . 87 PHE H . 15834 1 1080 . 1 1 87 87 PHE HA H 1 4.493 0.020 . 1 . . . . 87 PHE HA . 15834 1 1081 . 1 1 87 87 PHE HB2 H 1 3.085 0.020 . 2 . . . . 87 PHE HB2 . 15834 1 1082 . 1 1 87 87 PHE HB3 H 1 2.990 0.020 . 2 . . . . 87 PHE HB3 . 15834 1 1083 . 1 1 87 87 PHE HD1 H 1 7.215 0.020 . 1 . . . . 87 PHE HD1 . 15834 1 1084 . 1 1 87 87 PHE HD2 H 1 7.215 0.020 . 1 . . . . 87 PHE HD2 . 15834 1 1085 . 1 1 87 87 PHE HE1 H 1 7.242 0.020 . 1 . . . . 87 PHE HE1 . 15834 1 1086 . 1 1 87 87 PHE HE2 H 1 7.242 0.020 . 1 . . . . 87 PHE HE2 . 15834 1 1087 . 1 1 87 87 PHE C C 13 175.770 0.400 . 1 . . . . 87 PHE C . 15834 1 1088 . 1 1 87 87 PHE CA C 13 57.787 0.400 . 1 . . . . 87 PHE CA . 15834 1 1089 . 1 1 87 87 PHE CB C 13 39.218 0.400 . 1 . . . . 87 PHE CB . 15834 1 1090 . 1 1 87 87 PHE CD1 C 13 131.674 0.400 . 1 . . . . 87 PHE CD1 . 15834 1 1091 . 1 1 87 87 PHE CD2 C 13 131.674 0.400 . 1 . . . . 87 PHE CD2 . 15834 1 1092 . 1 1 87 87 PHE CE1 C 13 129.605 0.400 . 1 . . . . 87 PHE CE1 . 15834 1 1093 . 1 1 87 87 PHE CE2 C 13 129.605 0.400 . 1 . . . . 87 PHE CE2 . 15834 1 1094 . 1 1 87 87 PHE N N 15 119.515 0.400 . 1 . . . . 87 PHE N . 15834 1 1095 . 1 1 88 88 ARG H H 1 8.072 0.020 . 1 . . . . 88 ARG H . 15834 1 1096 . 1 1 88 88 ARG HA H 1 4.198 0.020 . 1 . . . . 88 ARG HA . 15834 1 1097 . 1 1 88 88 ARG HB2 H 1 1.759 0.020 . 2 . . . . 88 ARG HB2 . 15834 1 1098 . 1 1 88 88 ARG HB3 H 1 1.632 0.020 . 2 . . . . 88 ARG HB3 . 15834 1 1099 . 1 1 88 88 ARG HD2 H 1 3.069 0.020 . 2 . . . . 88 ARG HD2 . 15834 1 1100 . 1 1 88 88 ARG HD3 H 1 3.069 0.020 . 2 . . . . 88 ARG HD3 . 15834 1 1101 . 1 1 88 88 ARG HG2 H 1 1.485 0.020 . 2 . . . . 88 ARG HG2 . 15834 1 1102 . 1 1 88 88 ARG HG3 H 1 1.485 0.020 . 2 . . . . 88 ARG HG3 . 15834 1 1103 . 1 1 88 88 ARG C C 13 175.808 0.400 . 1 . . . . 88 ARG C . 15834 1 1104 . 1 1 88 88 ARG CA C 13 56.014 0.400 . 1 . . . . 88 ARG CA . 15834 1 1105 . 1 1 88 88 ARG CB C 13 30.566 0.400 . 1 . . . . 88 ARG CB . 15834 1 1106 . 1 1 88 88 ARG CD C 13 43.123 0.400 . 1 . . . . 88 ARG CD . 15834 1 1107 . 1 1 88 88 ARG CG C 13 26.894 0.400 . 1 . . . . 88 ARG CG . 15834 1 1108 . 1 1 88 88 ARG N N 15 121.911 0.400 . 1 . . . . 88 ARG N . 15834 1 1109 . 1 1 89 89 ARG H H 1 8.110 0.020 . 1 . . . . 89 ARG H . 15834 1 1110 . 1 1 89 89 ARG N N 15 121.671 0.400 . 1 . . . . 89 ARG N . 15834 1 1111 . 1 1 92 92 ARG HA H 1 4.194 0.020 . 1 . . . . 92 ARG HA . 15834 1 1112 . 1 1 92 92 ARG HB2 H 1 1.588 0.020 . 2 . . . . 92 ARG HB2 . 15834 1 1113 . 1 1 92 92 ARG HB3 H 1 1.588 0.020 . 2 . . . . 92 ARG HB3 . 15834 1 1114 . 1 1 92 92 ARG C C 13 175.654 0.400 . 1 . . . . 92 ARG C . 15834 1 1115 . 1 1 92 92 ARG CA C 13 56.072 0.400 . 1 . . . . 92 ARG CA . 15834 1 1116 . 1 1 92 92 ARG CB C 13 30.627 0.400 . 1 . . . . 92 ARG CB . 15834 1 1117 . 1 1 93 93 PHE H H 1 8.308 0.020 . 1 . . . . 93 PHE H . 15834 1 1118 . 1 1 93 93 PHE HA H 1 4.627 0.020 . 1 . . . . 93 PHE HA . 15834 1 1119 . 1 1 93 93 PHE HB2 H 1 3.170 0.020 . 2 . . . . 93 PHE HB2 . 15834 1 1120 . 1 1 93 93 PHE HB3 H 1 2.962 0.020 . 2 . . . . 93 PHE HB3 . 15834 1 1121 . 1 1 93 93 PHE HD1 H 1 7.223 0.020 . 1 . . . . 93 PHE HD1 . 15834 1 1122 . 1 1 93 93 PHE HD2 H 1 7.223 0.020 . 1 . . . . 93 PHE HD2 . 15834 1 1123 . 1 1 93 93 PHE C C 13 176.108 0.400 . 1 . . . . 93 PHE C . 15834 1 1124 . 1 1 93 93 PHE CA C 13 57.349 0.400 . 1 . . . . 93 PHE CA . 15834 1 1125 . 1 1 93 93 PHE CB C 13 39.392 0.400 . 1 . . . . 93 PHE CB . 15834 1 1126 . 1 1 93 93 PHE CD1 C 13 131.675 0.400 . 1 . . . . 93 PHE CD1 . 15834 1 1127 . 1 1 93 93 PHE CD2 C 13 131.675 0.400 . 1 . . . . 93 PHE CD2 . 15834 1 1128 . 1 1 93 93 PHE N N 15 120.758 0.400 . 1 . . . . 93 PHE N . 15834 1 1129 . 1 1 94 94 GLY H H 1 8.302 0.020 . 1 . . . . 94 GLY H . 15834 1 1130 . 1 1 94 94 GLY HA2 H 1 3.919 0.020 . 2 . . . . 94 GLY HA2 . 15834 1 1131 . 1 1 94 94 GLY HA3 H 1 3.919 0.020 . 2 . . . . 94 GLY HA3 . 15834 1 1132 . 1 1 94 94 GLY C C 13 173.871 0.400 . 1 . . . . 94 GLY C . 15834 1 1133 . 1 1 94 94 GLY CA C 13 44.905 0.400 . 1 . . . . 94 GLY CA . 15834 1 1134 . 1 1 94 94 GLY N N 15 110.066 0.400 . 1 . . . . 94 GLY N . 15834 1 1135 . 1 1 95 95 LYS H H 1 8.187 0.020 . 1 . . . . 95 LYS H . 15834 1 1136 . 1 1 95 95 LYS HA H 1 4.255 0.020 . 1 . . . . 95 LYS HA . 15834 1 1137 . 1 1 95 95 LYS HB2 H 1 1.805 0.020 . 2 . . . . 95 LYS HB2 . 15834 1 1138 . 1 1 95 95 LYS HB3 H 1 1.716 0.020 . 2 . . . . 95 LYS HB3 . 15834 1 1139 . 1 1 95 95 LYS HD2 H 1 1.649 0.020 . 2 . . . . 95 LYS HD2 . 15834 1 1140 . 1 1 95 95 LYS HD3 H 1 1.649 0.020 . 2 . . . . 95 LYS HD3 . 15834 1 1141 . 1 1 95 95 LYS HE2 H 1 2.963 0.020 . 2 . . . . 95 LYS HE2 . 15834 1 1142 . 1 1 95 95 LYS HE3 H 1 2.963 0.020 . 2 . . . . 95 LYS HE3 . 15834 1 1143 . 1 1 95 95 LYS HG2 H 1 1.395 0.020 . 2 . . . . 95 LYS HG2 . 15834 1 1144 . 1 1 95 95 LYS HG3 H 1 1.395 0.020 . 2 . . . . 95 LYS HG3 . 15834 1 1145 . 1 1 95 95 LYS C C 13 176.703 0.400 . 1 . . . . 95 LYS C . 15834 1 1146 . 1 1 95 95 LYS CA C 13 56.232 0.400 . 1 . . . . 95 LYS CA . 15834 1 1147 . 1 1 95 95 LYS CB C 13 32.843 0.400 . 1 . . . . 95 LYS CB . 15834 1 1148 . 1 1 95 95 LYS CD C 13 28.875 0.400 . 1 . . . . 95 LYS CD . 15834 1 1149 . 1 1 95 95 LYS CE C 13 42.008 0.400 . 1 . . . . 95 LYS CE . 15834 1 1150 . 1 1 95 95 LYS CG C 13 24.523 0.400 . 1 . . . . 95 LYS CG . 15834 1 1151 . 1 1 95 95 LYS N N 15 121.017 0.400 . 1 . . . . 95 LYS N . 15834 1 1152 . 1 1 96 96 ARG H H 1 8.335 0.020 . 1 . . . . 96 ARG H . 15834 1 1153 . 1 1 96 96 ARG HA H 1 4.256 0.020 . 1 . . . . 96 ARG HA . 15834 1 1154 . 1 1 96 96 ARG HB2 H 1 1.810 0.020 . 2 . . . . 96 ARG HB2 . 15834 1 1155 . 1 1 96 96 ARG HB3 H 1 1.716 0.020 . 2 . . . . 96 ARG HB3 . 15834 1 1156 . 1 1 96 96 ARG HD2 H 1 3.133 0.020 . 2 . . . . 96 ARG HD2 . 15834 1 1157 . 1 1 96 96 ARG HD3 H 1 3.133 0.020 . 2 . . . . 96 ARG HD3 . 15834 1 1158 . 1 1 96 96 ARG HG2 H 1 1.584 0.020 . 2 . . . . 96 ARG HG2 . 15834 1 1159 . 1 1 96 96 ARG HG3 H 1 1.584 0.020 . 2 . . . . 96 ARG HG3 . 15834 1 1160 . 1 1 96 96 ARG C C 13 176.006 0.400 . 1 . . . . 96 ARG C . 15834 1 1161 . 1 1 96 96 ARG CA C 13 56.127 0.400 . 1 . . . . 96 ARG CA . 15834 1 1162 . 1 1 96 96 ARG CB C 13 30.585 0.400 . 1 . . . . 96 ARG CB . 15834 1 1163 . 1 1 96 96 ARG CD C 13 43.180 0.400 . 1 . . . . 96 ARG CD . 15834 1 1164 . 1 1 96 96 ARG CG C 13 26.829 0.400 . 1 . . . . 96 ARG CG . 15834 1 1165 . 1 1 96 96 ARG N N 15 121.918 0.400 . 1 . . . . 96 ARG N . 15834 1 1166 . 1 1 97 97 ALA H H 1 8.244 0.020 . 1 . . . . 97 ALA H . 15834 1 1167 . 1 1 97 97 ALA HA H 1 4.235 0.020 . 1 . . . . 97 ALA HA . 15834 1 1168 . 1 1 97 97 ALA HB1 H 1 1.336 0.020 . 1 . . . . 97 ALA HB . 15834 1 1169 . 1 1 97 97 ALA HB2 H 1 1.336 0.020 . 1 . . . . 97 ALA HB . 15834 1 1170 . 1 1 97 97 ALA HB3 H 1 1.336 0.020 . 1 . . . . 97 ALA HB . 15834 1 1171 . 1 1 97 97 ALA C C 13 177.517 0.400 . 1 . . . . 97 ALA C . 15834 1 1172 . 1 1 97 97 ALA CA C 13 52.498 0.400 . 1 . . . . 97 ALA CA . 15834 1 1173 . 1 1 97 97 ALA CB C 13 18.864 0.400 . 1 . . . . 97 ALA CB . 15834 1 1174 . 1 1 97 97 ALA N N 15 125.163 0.400 . 1 . . . . 97 ALA N . 15834 1 1175 . 1 1 98 98 LEU H H 1 8.116 0.020 . 1 . . . . 98 LEU H . 15834 1 1176 . 1 1 98 98 LEU HA H 1 4.233 0.020 . 1 . . . . 98 LEU HA . 15834 1 1177 . 1 1 98 98 LEU HB2 H 1 1.563 0.020 . 2 . . . . 98 LEU HB2 . 15834 1 1178 . 1 1 98 98 LEU HB3 H 1 1.482 0.020 . 2 . . . . 98 LEU HB3 . 15834 1 1179 . 1 1 98 98 LEU HD11 H 1 0.864 0.020 . 1 . . . . 98 LEU HD1 . 15834 1 1180 . 1 1 98 98 LEU HD12 H 1 0.864 0.020 . 1 . . . . 98 LEU HD1 . 15834 1 1181 . 1 1 98 98 LEU HD13 H 1 0.864 0.020 . 1 . . . . 98 LEU HD1 . 15834 1 1182 . 1 1 98 98 LEU HD21 H 1 0.803 0.020 . 1 . . . . 98 LEU HD2 . 15834 1 1183 . 1 1 98 98 LEU HD22 H 1 0.803 0.020 . 1 . . . . 98 LEU HD2 . 15834 1 1184 . 1 1 98 98 LEU HD23 H 1 0.803 0.020 . 1 . . . . 98 LEU HD2 . 15834 1 1185 . 1 1 98 98 LEU HG H 1 1.561 0.020 . 1 . . . . 98 LEU HG . 15834 1 1186 . 1 1 98 98 LEU C C 13 177.222 0.400 . 1 . . . . 98 LEU C . 15834 1 1187 . 1 1 98 98 LEU CA C 13 55.110 0.400 . 1 . . . . 98 LEU CA . 15834 1 1188 . 1 1 98 98 LEU CB C 13 42.010 0.400 . 1 . . . . 98 LEU CB . 15834 1 1189 . 1 1 98 98 LEU CD1 C 13 24.945 0.400 . 1 . . . . 98 LEU CD1 . 15834 1 1190 . 1 1 98 98 LEU CD2 C 13 23.173 0.400 . 1 . . . . 98 LEU CD2 . 15834 1 1191 . 1 1 98 98 LEU CG C 13 26.717 0.400 . 1 . . . . 98 LEU CG . 15834 1 1192 . 1 1 98 98 LEU N N 15 120.936 0.400 . 1 . . . . 98 LEU N . 15834 1 1193 . 1 1 99 99 GLU H H 1 8.225 0.020 . 1 . . . . 99 GLU H . 15834 1 1194 . 1 1 99 99 GLU HA H 1 4.163 0.020 . 1 . . . . 99 GLU HA . 15834 1 1195 . 1 1 99 99 GLU HB2 H 1 1.856 0.020 . 2 . . . . 99 GLU HB2 . 15834 1 1196 . 1 1 99 99 GLU HB3 H 1 1.856 0.020 . 2 . . . . 99 GLU HB3 . 15834 1 1197 . 1 1 99 99 GLU HG2 H 1 2.189 0.020 . 2 . . . . 99 GLU HG2 . 15834 1 1198 . 1 1 99 99 GLU HG3 H 1 2.110 0.020 . 2 . . . . 99 GLU HG3 . 15834 1 1199 . 1 1 99 99 GLU CA C 13 56.271 0.400 . 1 . . . . 99 GLU CA . 15834 1 1200 . 1 1 99 99 GLU CB C 13 30.190 0.400 . 1 . . . . 99 GLU CB . 15834 1 1201 . 1 1 99 99 GLU CG C 13 36.135 0.400 . 1 . . . . 99 GLU CG . 15834 1 1202 . 1 1 99 99 GLU N N 15 121.172 0.400 . 1 . . . . 99 GLU N . 15834 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 15834 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 750 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 10 '3D HNHA' . . . 15834 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 8 $CYANA . . 15834 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS HA H 1 . 7.10 . . 1.50 . . . 2 LYS H . 2 LYS HA . 15834 1 2 3JHNHA . 1 1 3 3 LEU H H 1 . . 1 1 3 3 LEU HA H 1 . 2.07 . . 1.50 . . . 3 LEU H . 3 LEU HA . 15834 1 3 3JHNHA . 1 1 4 4 SER H H 1 . . 1 1 4 4 SER HA H 1 . 4.63 . . 1.50 . . . 4 SER H . 4 SER HA . 15834 1 4 3JHNHA . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU HA H 1 . 7.99 . . 1.50 . . . 5 GLU H . 5 GLU HA . 15834 1 5 3JHNHA . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU HA H 1 . 5.74 . . 1.50 . . . 6 LEU H . 6 LEU HA . 15834 1 6 3JHNHA . 1 1 9 9 GLY H H 1 . . 1 1 9 9 GLY HA H 1 . 7.51 . . 1.50 . . . 9 GLY H . 9 GLY HA . 15834 1 7 3JHNHA . 1 1 9 9 GLY H H 1 . . 1 1 9 9 GLY HA H 1 . 3.98 . . 1.50 . . . 9 GLY H . 9 GLY HA . 15834 1 8 3JHNHA . 1 1 11 11 ARG H H 1 . . 1 1 11 11 ARG HA H 1 . 9.07 . . 1.50 . . . 11 ARG H . 11 ARG HA . 15834 1 9 3JHNHA . 1 1 12 12 ALA H H 1 . . 1 1 12 12 ALA HA H 1 . 6.89 . . 1.50 . . . 12 ALA H . 12 ALA HA . 15834 1 10 3JHNHA . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU HA H 1 . 8.37 . . 1.50 . . . 13 GLU H . 13 GLU HA . 15834 1 11 3JHNHA . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL HA H 1 . 5.09 . . 1.50 . . . 14 VAL H . 14 VAL HA . 15834 1 12 3JHNHA . 1 1 15 15 THR H H 1 . . 1 1 15 15 THR HA H 1 . 9.27 . . 1.50 . . . 15 THR H . 15 THR HA . 15834 1 13 3JHNHA . 1 1 16 16 SER H H 1 . . 1 1 16 16 SER HA H 1 . 5.35 . . 1.50 . . . 16 SER H . 16 SER HA . 15834 1 14 3JHNHA . 1 1 17 17 VAL H H 1 . . 1 1 17 17 VAL HA H 1 . 8.42 . . 1.50 . . . 17 VAL H . 17 VAL HA . 15834 1 15 3JHNHA . 1 1 18 18 ALA H H 1 . . 1 1 18 18 ALA HA H 1 . 7.10 . . 1.50 . . . 18 ALA H . 18 ALA HA . 15834 1 16 3JHNHA . 1 1 19 19 ALA H H 1 . . 1 1 19 19 ALA HA H 1 . 4.89 . . 1.50 . . . 19 ALA H . 19 ALA HA . 15834 1 17 3JHNHA . 1 1 20 20 GLU H H 1 . . 1 1 20 20 GLU HA H 1 . 3.89 . . 1.50 . . . 20 GLU H . 20 GLU HA . 15834 1 18 3JHNHA . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA HA H 1 . 3.51 . . 1.50 . . . 22 ALA H . 22 ALA HA . 15834 1 19 3JHNHA . 1 1 23 23 VAL H H 1 . . 1 1 23 23 VAL HA H 1 . 6.81 . . 1.50 . . . 23 VAL H . 23 VAL HA . 15834 1 20 3JHNHA . 1 1 24 24 ARG H H 1 . . 1 1 24 24 ARG HA H 1 . 2.86 . . 1.50 . . . 24 ARG H . 24 ARG HA . 15834 1 21 3JHNHA . 1 1 25 25 ARG H H 1 . . 1 1 25 25 ARG HA H 1 . 3.66 . . 1.50 . . . 25 ARG H . 25 ARG HA . 15834 1 22 3JHNHA . 1 1 26 26 ARG H H 1 . . 1 1 26 26 ARG HA H 1 . 4.16 . . 1.50 . . . 26 ARG H . 26 ARG HA . 15834 1 23 3JHNHA . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU HA H 1 . 4.15 . . 1.50 . . . 27 LEU H . 27 LEU HA . 15834 1 24 3JHNHA . 1 1 28 28 MET H H 1 . . 1 1 28 28 MET HA H 1 . 3.97 . . 1.50 . . . 28 MET H . 28 MET HA . 15834 1 25 3JHNHA . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP HA H 1 . 3.71 . . 1.50 . . . 29 ASP H . 29 ASP HA . 15834 1 26 3JHNHA . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU HA H 1 . 6.87 . . 1.50 . . . 30 LEU H . 30 LEU HA . 15834 1 27 3JHNHA . 1 1 31 31 GLY H H 1 . . 1 1 31 31 GLY HA H 1 . 7.10 . . 1.50 . . . 31 GLY H . 31 GLY HA . 15834 1 28 3JHNHA . 1 1 31 31 GLY H H 1 . . 1 1 31 31 GLY HA H 1 . 4.04 . . 1.50 . . . 31 GLY H . 31 GLY HA . 15834 1 29 3JHNHA . 1 1 32 32 LEU H H 1 . . 1 1 32 32 LEU HA H 1 . 7.08 . . 1.50 . . . 32 LEU H . 32 LEU HA . 15834 1 30 3JHNHA . 1 1 33 33 VAL H H 1 . . 1 1 33 33 VAL HA H 1 . 8.52 . . 1.50 . . . 33 VAL H . 33 VAL HA . 15834 1 31 3JHNHA . 1 1 35 35 GLY H H 1 . . 1 1 35 35 GLY HA H 1 . 7.39 . . 1.50 . . . 35 GLY H . 35 GLY HA . 15834 1 32 3JHNHA . 1 1 35 35 GLY H H 1 . . 1 1 35 35 GLY HA H 1 . 4.31 . . 1.50 . . . 35 GLY H . 35 GLY HA . 15834 1 33 3JHNHA . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA HA H 1 . 4.08 . . 1.50 . . . 36 ALA H . 36 ALA HA . 15834 1 34 3JHNHA . 1 1 37 37 LYS H H 1 . . 1 1 37 37 LYS HA H 1 . 7.71 . . 1.50 . . . 37 LYS H . 37 LYS HA . 15834 1 35 3JHNHA . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU HA H 1 . 8.24 . . 1.50 . . . 38 LEU H . 38 LEU HA . 15834 1 36 3JHNHA . 1 1 40 40 VAL H H 1 . . 1 1 40 40 VAL HA H 1 . 6.28 . . 1.50 . . . 40 VAL H . 40 VAL HA . 15834 1 37 3JHNHA . 1 1 41 41 LEU H H 1 . . 1 1 41 41 LEU HA H 1 . 7.52 . . 1.50 . . . 41 LEU H . 41 LEU HA . 15834 1 38 3JHNHA . 1 1 42 42 ARG H H 1 . . 1 1 42 42 ARG HA H 1 . 5.57 . . 1.50 . . . 42 ARG H . 42 ARG HA . 15834 1 39 3JHNHA . 1 1 43 43 PHE H H 1 . . 1 1 43 43 PHE HA H 1 . 8.09 . . 1.50 . . . 43 PHE H . 43 PHE HA . 15834 1 40 3JHNHA . 1 1 44 44 ALA H H 1 . . 1 1 44 44 ALA HA H 1 . 4.60 . . 1.50 . . . 44 ALA H . 44 ALA HA . 15834 1 41 3JHNHA . 1 1 46 46 LEU H H 1 . . 1 1 46 46 LEU HA H 1 . 6.66 . . 1.50 . . . 46 LEU H . 46 LEU HA . 15834 1 42 3JHNHA . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY HA H 1 . 5.96 . . 1.50 . . . 47 GLY H . 47 GLY HA . 15834 1 43 3JHNHA . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY HA H 1 . 4.62 . . 1.50 . . . 47 GLY H . 47 GLY HA . 15834 1 44 3JHNHA . 1 1 48 48 ASP H H 1 . . 1 1 48 48 ASP HA H 1 . 7.38 . . 1.50 . . . 48 ASP H . 48 ASP HA . 15834 1 45 3JHNHA . 1 1 50 50 ILE H H 1 . . 1 1 50 50 ILE HA H 1 . 8.18 . . 1.50 . . . 50 ILE H . 50 ILE HA . 15834 1 46 3JHNHA . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU HA H 1 . 8.00 . . 1.50 . . . 51 GLU H . 51 GLU HA . 15834 1 47 3JHNHA . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL HA H 1 . 8.47 . . 1.50 . . . 52 VAL H . 52 VAL HA . 15834 1 48 3JHNHA . 1 1 53 53 ASN H H 1 . . 1 1 53 53 ASN HA H 1 . 8.40 . . 1.50 . . . 53 ASN H . 53 ASN HA . 15834 1 49 3JHNHA . 1 1 54 54 CYS H H 1 . . 1 1 54 54 CYS HA H 1 . 7.83 . . 1.50 . . . 54 CYS H . 54 CYS HA . 15834 1 50 3JHNHA . 1 1 56 56 GLY H H 1 . . 1 1 56 56 GLY HA H 1 . 6.11 . . 1.50 . . . 56 GLY H . 56 GLY HA . 15834 1 51 3JHNHA . 1 1 56 56 GLY H H 1 . . 1 1 56 56 GLY HA H 1 . 4.39 . . 1.50 . . . 56 GLY H . 56 GLY HA . 15834 1 52 3JHNHA . 1 1 57 57 MET H H 1 . . 1 1 57 57 MET HA H 1 . 8.27 . . 1.50 . . . 57 MET H . 57 MET HA . 15834 1 53 3JHNHA . 1 1 58 58 LEU H H 1 . . 1 1 58 58 LEU HA H 1 . 5.92 . . 1.50 . . . 58 LEU H . 58 LEU HA . 15834 1 54 3JHNHA . 1 1 59 59 LEU H H 1 . . 1 1 59 59 LEU HA H 1 . 8.39 . . 1.50 . . . 59 LEU H . 59 LEU HA . 15834 1 55 3JHNHA . 1 1 60 60 THR H H 1 . . 1 1 60 60 THR HA H 1 . 8.22 . . 1.50 . . . 60 THR H . 60 THR HA . 15834 1 56 3JHNHA . 1 1 62 62 ARG H H 1 . . 1 1 62 62 ARG HA H 1 . 6.31 . . 1.50 . . . 62 ARG H . 62 ARG HA . 15834 1 57 3JHNHA . 1 1 63 63 ARG H H 1 . . 1 1 63 63 ARG HA H 1 . 2.14 . . 1.50 . . . 63 ARG H . 63 ARG HA . 15834 1 58 3JHNHA . 1 1 64 64 ASN H H 1 . . 1 1 64 64 ASN HA H 1 . 3.48 . . 1.50 . . . 64 ASN H . 64 ASN HA . 15834 1 59 3JHNHA . 1 1 65 65 GLU H H 1 . . 1 1 65 65 GLU HA H 1 . 6.56 . . 1.50 . . . 65 GLU H . 65 GLU HA . 15834 1 60 3JHNHA . 1 1 66 66 ALA H H 1 . . 1 1 66 66 ALA HA H 1 . 4.10 . . 1.50 . . . 66 ALA H . 66 ALA HA . 15834 1 61 3JHNHA . 1 1 67 67 GLU H H 1 . . 1 1 67 67 GLU HA H 1 . 3.10 . . 1.50 . . . 67 GLU H . 67 GLU HA . 15834 1 62 3JHNHA . 1 1 68 68 GLY H H 1 . . 1 1 68 68 GLY HA H 1 . 6.64 . . 1.50 . . . 68 GLY H . 68 GLY HA . 15834 1 63 3JHNHA . 1 1 68 68 GLY H H 1 . . 1 1 68 68 GLY HA H 1 . 2.49 . . 1.50 . . . 68 GLY H . 68 GLY HA . 15834 1 64 3JHNHA . 1 1 69 69 ILE H H 1 . . 1 1 69 69 ILE HA H 1 . 8.33 . . 1.50 . . . 69 ILE H . 69 ILE HA . 15834 1 65 3JHNHA . 1 1 70 70 THR H H 1 . . 1 1 70 70 THR HA H 1 . 7.99 . . 1.50 . . . 70 THR H . 70 THR HA . 15834 1 66 3JHNHA . 1 1 72 72 HIS H H 1 . . 1 1 72 72 HIS HA H 1 . 8.96 . . 1.50 . . . 72 HIS H . 72 HIS HA . 15834 1 67 3JHNHA . 1 1 73 73 ILE H H 1 . . 1 1 73 73 ILE HA H 1 . 4.92 . . 1.50 . . . 73 ILE H . 73 ILE HA . 15834 1 68 3JHNHA . 1 1 74 74 LEU H H 1 . . 1 1 74 74 LEU HA H 1 . 8.37 . . 1.50 . . . 74 LEU H . 74 LEU HA . 15834 1 stop_ save_