data_25590 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25590 _Entry.Title ; 1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-30 _Entry.Accession_date 2015-04-30 _Entry.Last_release_date 2015-05-01 _Entry.Original_release_date 2015-05-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Adolfo Moraes . H. . . 25590 2 Claudia Asam . . . . 25590 3 Aline Batista . . . . 25590 4 Fabio Almeida . C.L. . . 25590 5 Michael Wallner . . . . 25590 6 Fatima Ferreira . . . . 25590 7 'Ana Paula' Valente . . . . 25590 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centro Nacional de Ressonancia Magnetica Nuclear, Instituto de Bioquimica Medica, Universidade Federal do Rio de Janeiro' . 25590 2 . 'Christian Doppler Laboratory for Allergy Diagnosis and Therapy, University of Salzburg' . 25590 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25590 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 652 25590 '15N chemical shifts' 150 25590 '1H chemical shifts' 1076 25590 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-08-07 . original BMRB . 25590 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25590 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-015-9634-y _Citation.PubMed_ID 26289775 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 45 _Citation.Page_last 48 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A Moraes A. H. . . 25590 1 2 C Asam C. . . . 25590 1 3 A Batista A. . . . 25590 1 4 F Almeida F. C. . . 25590 1 5 M Wallner M. . . . 25590 1 6 F Ferreira F. . . . 25590 1 7 A Valente A. P. . . 25590 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Fag s 1' 25590 1 Fagales 25590 1 'NMR assignments' 25590 1 'beech pollen allergen' 25590 1 'secondary srtucture' 25590 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25590 _Assembly.ID 1 _Assembly.Name 'Fag s 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'Fag s 1' 1 $Fag_s_1 A . yes native no no . . . 25590 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fag_s_1 _Entity.Sf_category entity _Entity.Sf_framecode Fag_s_1 _Entity.Entry_ID 25590 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fag_s_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVFTYESETTTVITPARLFK AFVLDADNLIPKVAPQAIKS SEIIEGSGGPGTIKKITFGE GSQFNYVKHRIDEIDNANFT YACTLIEGDAISETLEKIAY EIKLVASPDGGSILKSTSKY HTKGDHEIKEDQIKAGKEEA SGIFKAVEAYLLANPAAYH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 25590 1 2 . VAL . 25590 1 3 . PHE . 25590 1 4 . THR . 25590 1 5 . TYR . 25590 1 6 . GLU . 25590 1 7 . SER . 25590 1 8 . GLU . 25590 1 9 . THR . 25590 1 10 . THR . 25590 1 11 . THR . 25590 1 12 . VAL . 25590 1 13 . ILE . 25590 1 14 . THR . 25590 1 15 . PRO . 25590 1 16 . ALA . 25590 1 17 . ARG . 25590 1 18 . LEU . 25590 1 19 . PHE . 25590 1 20 . LYS . 25590 1 21 . ALA . 25590 1 22 . PHE . 25590 1 23 . VAL . 25590 1 24 . LEU . 25590 1 25 . ASP . 25590 1 26 . ALA . 25590 1 27 . ASP . 25590 1 28 . ASN . 25590 1 29 . LEU . 25590 1 30 . ILE . 25590 1 31 . PRO . 25590 1 32 . LYS . 25590 1 33 . VAL . 25590 1 34 . ALA . 25590 1 35 . PRO . 25590 1 36 . GLN . 25590 1 37 . ALA . 25590 1 38 . ILE . 25590 1 39 . LYS . 25590 1 40 . SER . 25590 1 41 . SER . 25590 1 42 . GLU . 25590 1 43 . ILE . 25590 1 44 . ILE . 25590 1 45 . GLU . 25590 1 46 . GLY . 25590 1 47 . SER . 25590 1 48 . GLY . 25590 1 49 . GLY . 25590 1 50 . PRO . 25590 1 51 . GLY . 25590 1 52 . THR . 25590 1 53 . ILE . 25590 1 54 . LYS . 25590 1 55 . LYS . 25590 1 56 . ILE . 25590 1 57 . THR . 25590 1 58 . PHE . 25590 1 59 . GLY . 25590 1 60 . GLU . 25590 1 61 . GLY . 25590 1 62 . SER . 25590 1 63 . GLN . 25590 1 64 . PHE . 25590 1 65 . ASN . 25590 1 66 . TYR . 25590 1 67 . VAL . 25590 1 68 . LYS . 25590 1 69 . HIS . 25590 1 70 . ARG . 25590 1 71 . ILE . 25590 1 72 . ASP . 25590 1 73 . GLU . 25590 1 74 . ILE . 25590 1 75 . ASP . 25590 1 76 . ASN . 25590 1 77 . ALA . 25590 1 78 . ASN . 25590 1 79 . PHE . 25590 1 80 . THR . 25590 1 81 . TYR . 25590 1 82 . ALA . 25590 1 83 . CYS . 25590 1 84 . THR . 25590 1 85 . LEU . 25590 1 86 . ILE . 25590 1 87 . GLU . 25590 1 88 . GLY . 25590 1 89 . ASP . 25590 1 90 . ALA . 25590 1 91 . ILE . 25590 1 92 . SER . 25590 1 93 . GLU . 25590 1 94 . THR . 25590 1 95 . LEU . 25590 1 96 . GLU . 25590 1 97 . LYS . 25590 1 98 . ILE . 25590 1 99 . ALA . 25590 1 100 . TYR . 25590 1 101 . GLU . 25590 1 102 . ILE . 25590 1 103 . LYS . 25590 1 104 . LEU . 25590 1 105 . VAL . 25590 1 106 . ALA . 25590 1 107 . SER . 25590 1 108 . PRO . 25590 1 109 . ASP . 25590 1 110 . GLY . 25590 1 111 . GLY . 25590 1 112 . SER . 25590 1 113 . ILE . 25590 1 114 . LEU . 25590 1 115 . LYS . 25590 1 116 . SER . 25590 1 117 . THR . 25590 1 118 . SER . 25590 1 119 . LYS . 25590 1 120 . TYR . 25590 1 121 . HIS . 25590 1 122 . THR . 25590 1 123 . LYS . 25590 1 124 . GLY . 25590 1 125 . ASP . 25590 1 126 . HIS . 25590 1 127 . GLU . 25590 1 128 . ILE . 25590 1 129 . LYS . 25590 1 130 . GLU . 25590 1 131 . ASP . 25590 1 132 . GLN . 25590 1 133 . ILE . 25590 1 134 . LYS . 25590 1 135 . ALA . 25590 1 136 . GLY . 25590 1 137 . LYS . 25590 1 138 . GLU . 25590 1 139 . GLU . 25590 1 140 . ALA . 25590 1 141 . SER . 25590 1 142 . GLY . 25590 1 143 . ILE . 25590 1 144 . PHE . 25590 1 145 . LYS . 25590 1 146 . ALA . 25590 1 147 . VAL . 25590 1 148 . GLU . 25590 1 149 . ALA . 25590 1 150 . TYR . 25590 1 151 . LEU . 25590 1 152 . LEU . 25590 1 153 . ALA . 25590 1 154 . ASN . 25590 1 155 . PRO . 25590 1 156 . ALA . 25590 1 157 . ALA . 25590 1 158 . TYR . 25590 1 159 . HIS . 25590 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 . GLY 1 1 25590 1 . VAL 2 2 25590 1 . PHE 3 3 25590 1 . THR 4 4 25590 1 . TYR 5 5 25590 1 . GLU 6 6 25590 1 . SER 7 7 25590 1 . GLU 8 8 25590 1 . THR 9 9 25590 1 . THR 10 10 25590 1 . THR 11 11 25590 1 . VAL 12 12 25590 1 . ILE 13 13 25590 1 . THR 14 14 25590 1 . PRO 15 15 25590 1 . ALA 16 16 25590 1 . ARG 17 17 25590 1 . LEU 18 18 25590 1 . PHE 19 19 25590 1 . LYS 20 20 25590 1 . ALA 21 21 25590 1 . PHE 22 22 25590 1 . VAL 23 23 25590 1 . LEU 24 24 25590 1 . ASP 25 25 25590 1 . ALA 26 26 25590 1 . ASP 27 27 25590 1 . ASN 28 28 25590 1 . LEU 29 29 25590 1 . ILE 30 30 25590 1 . PRO 31 31 25590 1 . LYS 32 32 25590 1 . VAL 33 33 25590 1 . ALA 34 34 25590 1 . PRO 35 35 25590 1 . GLN 36 36 25590 1 . ALA 37 37 25590 1 . ILE 38 38 25590 1 . LYS 39 39 25590 1 . SER 40 40 25590 1 . SER 41 41 25590 1 . GLU 42 42 25590 1 . ILE 43 43 25590 1 . ILE 44 44 25590 1 . GLU 45 45 25590 1 . GLY 46 46 25590 1 . SER 47 47 25590 1 . GLY 48 48 25590 1 . GLY 49 49 25590 1 . PRO 50 50 25590 1 . GLY 51 51 25590 1 . THR 52 52 25590 1 . ILE 53 53 25590 1 . LYS 54 54 25590 1 . LYS 55 55 25590 1 . ILE 56 56 25590 1 . THR 57 57 25590 1 . PHE 58 58 25590 1 . GLY 59 59 25590 1 . GLU 60 60 25590 1 . GLY 61 61 25590 1 . SER 62 62 25590 1 . GLN 63 63 25590 1 . PHE 64 64 25590 1 . ASN 65 65 25590 1 . TYR 66 66 25590 1 . VAL 67 67 25590 1 . LYS 68 68 25590 1 . HIS 69 69 25590 1 . ARG 70 70 25590 1 . ILE 71 71 25590 1 . ASP 72 72 25590 1 . GLU 73 73 25590 1 . ILE 74 74 25590 1 . ASP 75 75 25590 1 . ASN 76 76 25590 1 . ALA 77 77 25590 1 . ASN 78 78 25590 1 . PHE 79 79 25590 1 . THR 80 80 25590 1 . TYR 81 81 25590 1 . ALA 82 82 25590 1 . CYS 83 83 25590 1 . THR 84 84 25590 1 . LEU 85 85 25590 1 . ILE 86 86 25590 1 . GLU 87 87 25590 1 . GLY 88 88 25590 1 . ASP 89 89 25590 1 . ALA 90 90 25590 1 . ILE 91 91 25590 1 . SER 92 92 25590 1 . GLU 93 93 25590 1 . THR 94 94 25590 1 . LEU 95 95 25590 1 . GLU 96 96 25590 1 . LYS 97 97 25590 1 . ILE 98 98 25590 1 . ALA 99 99 25590 1 . TYR 100 100 25590 1 . GLU 101 101 25590 1 . ILE 102 102 25590 1 . LYS 103 103 25590 1 . LEU 104 104 25590 1 . VAL 105 105 25590 1 . ALA 106 106 25590 1 . SER 107 107 25590 1 . PRO 108 108 25590 1 . ASP 109 109 25590 1 . GLY 110 110 25590 1 . GLY 111 111 25590 1 . SER 112 112 25590 1 . ILE 113 113 25590 1 . LEU 114 114 25590 1 . LYS 115 115 25590 1 . SER 116 116 25590 1 . THR 117 117 25590 1 . SER 118 118 25590 1 . LYS 119 119 25590 1 . TYR 120 120 25590 1 . HIS 121 121 25590 1 . THR 122 122 25590 1 . LYS 123 123 25590 1 . GLY 124 124 25590 1 . ASP 125 125 25590 1 . HIS 126 126 25590 1 . GLU 127 127 25590 1 . ILE 128 128 25590 1 . LYS 129 129 25590 1 . GLU 130 130 25590 1 . ASP 131 131 25590 1 . GLN 132 132 25590 1 . ILE 133 133 25590 1 . LYS 134 134 25590 1 . ALA 135 135 25590 1 . GLY 136 136 25590 1 . LYS 137 137 25590 1 . GLU 138 138 25590 1 . GLU 139 139 25590 1 . ALA 140 140 25590 1 . SER 141 141 25590 1 . GLY 142 142 25590 1 . ILE 143 143 25590 1 . PHE 144 144 25590 1 . LYS 145 145 25590 1 . ALA 146 146 25590 1 . VAL 147 147 25590 1 . GLU 148 148 25590 1 . ALA 149 149 25590 1 . TYR 150 150 25590 1 . LEU 151 151 25590 1 . LEU 152 152 25590 1 . ALA 153 153 25590 1 . ASN 154 154 25590 1 . PRO 155 155 25590 1 . ALA 156 156 25590 1 . ALA 157 157 25590 1 . TYR 158 158 25590 1 . HIS 159 159 25590 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 25590 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Fag_s_1 . 28930 organism . 'Fagus sylvatica' 'European beech' . . Eukaryota Viridiplantae Fagus sylvatica . . . . . . . . . . . . . 25590 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 25590 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Fag_s_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b . . . 25590 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25590 _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 Fag_s_1 'natural abundance' . . 1 $Fag_s_1 . . 600 . . uM . . . . 25590 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25590 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25590 1 4 TFE '[U-100% 2H]' . . . . . . 5 . . % . . . . 25590 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25590 1 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 25590 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.187 . M 25590 1 pH 7.8 . pH 25590 1 pressure 1 . atm 25590 1 temperature 308 . K 25590 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 25590 _Software.ID 1 _Software.Name CCPN _Software.Version v2.4.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25590 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25590 1 'data analysis' 25590 1 'peak picking' 25590 1 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 25590 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25590 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25590 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25590 _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 Bruker Avance . 700 . . . 25590 1 2 spectrometer_2 Bruker Avance . 600 . . . 25590 1 3 spectrometer_3 Bruker Avance . 800 . . . 25590 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 25590 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25590 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 25590 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25590 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25590 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25590 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 25590 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25590 1 2 '2D 1H-13C HSQC aliphatic' . . . 25590 1 3 '2D 1H-13C HSQC aromatic' . . . 25590 1 4 '3D CBCA(CO)NH' . . . 25590 1 5 '3D HNCACB' . . . 25590 1 6 '3D HNCA' . . . 25590 1 7 '3D HNCO' . . . 25590 1 8 '3D HBHA(CO)NH' . . . 25590 1 9 '3D HN(CO)CA' . . . 25590 1 10 '3D HCCH-TOCSY' . . . 25590 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN . . 25590 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 2 2 VAL HA H 1 4.857 0.020 . 1 . . . . 2 VAL HA . 25590 1 2 . 1 1 2 2 VAL HB H 1 1.662 0.020 . 1 . . . . 2 VAL HB . 25590 1 3 . 1 1 2 2 VAL HG11 H 1 0.520 0.020 . 2 . . . . 2 VAL QG1 . 25590 1 4 . 1 1 2 2 VAL HG12 H 1 0.520 0.020 . 2 . . . . 2 VAL QG1 . 25590 1 5 . 1 1 2 2 VAL HG13 H 1 0.520 0.020 . 2 . . . . 2 VAL QG1 . 25590 1 6 . 1 1 2 2 VAL HG21 H 1 0.409 0.020 . 2 . . . . 2 VAL QG2 . 25590 1 7 . 1 1 2 2 VAL HG22 H 1 0.409 0.020 . 2 . . . . 2 VAL QG2 . 25590 1 8 . 1 1 2 2 VAL HG23 H 1 0.409 0.020 . 2 . . . . 2 VAL QG2 . 25590 1 9 . 1 1 2 2 VAL CA C 13 61.405 0.3 . 1 . . . . 2 VAL CA . 25590 1 10 . 1 1 2 2 VAL CB C 13 33.708 0.3 . 1 . . . . 2 VAL CB . 25590 1 11 . 1 1 2 2 VAL CG1 C 13 20.795 0.3 . 1 . . . . 2 VAL CG1 . 25590 1 12 . 1 1 2 2 VAL CG2 C 13 20.211 0.3 . 1 . . . . 2 VAL CG2 . 25590 1 13 . 1 1 3 3 PHE H H 1 8.857 0.020 . 1 . . . . 3 PHE H . 25590 1 14 . 1 1 3 3 PHE HA H 1 4.667 0.020 . 1 . . . . 3 PHE HA . 25590 1 15 . 1 1 3 3 PHE HB2 H 1 3.178 0.020 . 2 . . . . 3 PHE HB2 . 25590 1 16 . 1 1 3 3 PHE HB3 H 1 3.044 0.020 . 2 . . . . 3 PHE HB3 . 25590 1 17 . 1 1 3 3 PHE HD1 H 1 7.046 0.020 . 1 . . . . 3 PHE HD1 . 25590 1 18 . 1 1 3 3 PHE HD2 H 1 7.046 0.020 . 1 . . . . 3 PHE HD2 . 25590 1 19 . 1 1 3 3 PHE HE1 H 1 7.041 0.020 . 1 . . . . 3 PHE HE1 . 25590 1 20 . 1 1 3 3 PHE HE2 H 1 7.041 0.020 . 1 . . . . 3 PHE HE2 . 25590 1 21 . 1 1 3 3 PHE C C 13 174.496 0.3 . 1 . . . . 3 PHE C . 25590 1 22 . 1 1 3 3 PHE CA C 13 56.928 0.3 . 1 . . . . 3 PHE CA . 25590 1 23 . 1 1 3 3 PHE CB C 13 41.519 0.3 . 1 . . . . 3 PHE CB . 25590 1 24 . 1 1 3 3 PHE CD1 C 13 133.193 0.3 . 1 . . . . 3 PHE CD1 . 25590 1 25 . 1 1 3 3 PHE CE1 C 13 130.787 0.3 . 1 . . . . 3 PHE CE1 . 25590 1 26 . 1 1 3 3 PHE N N 15 128.614 0.3 . 1 . . . . 3 PHE N . 25590 1 27 . 1 1 4 4 THR H H 1 8.348 0.020 . 1 . . . . 4 THR H . 25590 1 28 . 1 1 4 4 THR HA H 1 5.378 0.020 . 1 . . . . 4 THR HA . 25590 1 29 . 1 1 4 4 THR HB H 1 3.856 0.020 . 1 . . . . 4 THR HB . 25590 1 30 . 1 1 4 4 THR HG21 H 1 1.097 0.020 . 1 . . . . 4 THR QG2 . 25590 1 31 . 1 1 4 4 THR HG22 H 1 1.097 0.020 . 1 . . . . 4 THR QG2 . 25590 1 32 . 1 1 4 4 THR HG23 H 1 1.097 0.020 . 1 . . . . 4 THR QG2 . 25590 1 33 . 1 1 4 4 THR C C 13 173.123 0.3 . 1 . . . . 4 THR C . 25590 1 34 . 1 1 4 4 THR CA C 13 61.822 0.3 . 1 . . . . 4 THR CA . 25590 1 35 . 1 1 4 4 THR CB C 13 70.216 0.3 . 1 . . . . 4 THR CB . 25590 1 36 . 1 1 4 4 THR CG2 C 13 21.624 0.3 . 1 . . . . 4 THR CG2 . 25590 1 37 . 1 1 4 4 THR N N 15 120.581 0.3 . 1 . . . . 4 THR N . 25590 1 38 . 1 1 5 5 TYR H H 1 9.360 0.020 . 1 . . . . 5 TYR H . 25590 1 39 . 1 1 5 5 TYR HA H 1 4.847 0.020 . 1 . . . . 5 TYR HA . 25590 1 40 . 1 1 5 5 TYR HB2 H 1 3.158 0.020 . 2 . . . . 5 TYR HB2 . 25590 1 41 . 1 1 5 5 TYR HB3 H 1 2.990 0.020 . 2 . . . . 5 TYR HB3 . 25590 1 42 . 1 1 5 5 TYR HD1 H 1 7.264 0.020 . 1 . . . . 5 TYR HD1 . 25590 1 43 . 1 1 5 5 TYR HD2 H 1 7.264 0.020 . 1 . . . . 5 TYR HD2 . 25590 1 44 . 1 1 5 5 TYR HE1 H 1 6.906 0.020 . 1 . . . . 5 TYR HE1 . 25590 1 45 . 1 1 5 5 TYR HE2 H 1 6.906 0.020 . 1 . . . . 5 TYR HE2 . 25590 1 46 . 1 1 5 5 TYR C C 13 174.455 0.3 . 1 . . . . 5 TYR C . 25590 1 47 . 1 1 5 5 TYR CA C 13 57.494 0.3 . 1 . . . . 5 TYR CA . 25590 1 48 . 1 1 5 5 TYR CB C 13 41.526 0.3 . 1 . . . . 5 TYR CB . 25590 1 49 . 1 1 5 5 TYR CD1 C 13 135.783 0.3 . 1 . . . . 5 TYR CD1 . 25590 1 50 . 1 1 5 5 TYR CE1 C 13 120.908 0.3 . 1 . . . . 5 TYR CE1 . 25590 1 51 . 1 1 5 5 TYR N N 15 125.887 0.3 . 1 . . . . 5 TYR N . 25590 1 52 . 1 1 6 6 GLU H H 1 8.608 0.020 . 1 . . . . 6 GLU H . 25590 1 53 . 1 1 6 6 GLU HA H 1 5.464 0.020 . 1 . . . . 6 GLU HA . 25590 1 54 . 1 1 6 6 GLU HB2 H 1 2.081 0.020 . 2 . . . . 6 GLU HB2 . 25590 1 55 . 1 1 6 6 GLU HB3 H 1 1.937 0.020 . 2 . . . . 6 GLU HB3 . 25590 1 56 . 1 1 6 6 GLU HG2 H 1 2.219 0.020 . 2 . . . . 6 GLU HG2 . 25590 1 57 . 1 1 6 6 GLU HG3 H 1 2.132 0.020 . 2 . . . . 6 GLU HG3 . 25590 1 58 . 1 1 6 6 GLU C C 13 175.542 0.3 . 1 . . . . 6 GLU C . 25590 1 59 . 1 1 6 6 GLU CA C 13 54.962 0.3 . 1 . . . . 6 GLU CA . 25590 1 60 . 1 1 6 6 GLU CB C 13 33.262 0.3 . 1 . . . . 6 GLU CB . 25590 1 61 . 1 1 6 6 GLU CG C 13 36.435 0.3 . 1 . . . . 6 GLU CG . 25590 1 62 . 1 1 6 6 GLU N N 15 124.932 0.3 . 1 . . . . 6 GLU N . 25590 1 63 . 1 1 7 7 SER H H 1 8.887 0.020 . 1 . . . . 7 SER H . 25590 1 64 . 1 1 7 7 SER HA H 1 4.810 0.020 . 1 . . . . 7 SER HA . 25590 1 65 . 1 1 7 7 SER HB2 H 1 3.799 0.020 . 2 . . . . 7 SER HB2 . 25590 1 66 . 1 1 7 7 SER HB3 H 1 3.768 0.020 . 2 . . . . 7 SER HB3 . 25590 1 67 . 1 1 7 7 SER C C 13 172.548 0.3 . 1 . . . . 7 SER C . 25590 1 68 . 1 1 7 7 SER CA C 13 57.507 0.3 . 1 . . . . 7 SER CA . 25590 1 69 . 1 1 7 7 SER CB C 13 65.987 0.3 . 1 . . . . 7 SER CB . 25590 1 70 . 1 1 7 7 SER N N 15 116.324 0.3 . 1 . . . . 7 SER N . 25590 1 71 . 1 1 8 8 GLU H H 1 8.387 0.020 . 1 . . . . 8 GLU H . 25590 1 72 . 1 1 8 8 GLU HA H 1 5.455 0.020 . 1 . . . . 8 GLU HA . 25590 1 73 . 1 1 8 8 GLU HB2 H 1 1.903 0.020 . 2 . . . . 8 GLU HB2 . 25590 1 74 . 1 1 8 8 GLU HB3 H 1 1.844 0.020 . 2 . . . . 8 GLU HB3 . 25590 1 75 . 1 1 8 8 GLU HG2 H 1 2.220 0.020 . 2 . . . . 8 GLU HG2 . 25590 1 76 . 1 1 8 8 GLU HG3 H 1 2.097 0.020 . 2 . . . . 8 GLU HG3 . 25590 1 77 . 1 1 8 8 GLU C C 13 175.410 0.3 . 1 . . . . 8 GLU C . 25590 1 78 . 1 1 8 8 GLU CA C 13 55.216 0.3 . 1 . . . . 8 GLU CA . 25590 1 79 . 1 1 8 8 GLU CB C 13 33.172 0.3 . 1 . . . . 8 GLU CB . 25590 1 80 . 1 1 8 8 GLU CG C 13 36.198 0.3 . 1 . . . . 8 GLU CG . 25590 1 81 . 1 1 8 8 GLU N N 15 121.566 0.3 . 1 . . . . 8 GLU N . 25590 1 82 . 1 1 9 9 THR H H 1 8.566 0.020 . 1 . . . . 9 THR H . 25590 1 83 . 1 1 9 9 THR HA H 1 4.631 0.020 . 1 . . . . 9 THR HA . 25590 1 84 . 1 1 9 9 THR HB H 1 3.795 0.020 . 1 . . . . 9 THR HB . 25590 1 85 . 1 1 9 9 THR HG21 H 1 0.860 0.020 . 1 . . . . 9 THR QG2 . 25590 1 86 . 1 1 9 9 THR HG22 H 1 0.860 0.020 . 1 . . . . 9 THR QG2 . 25590 1 87 . 1 1 9 9 THR HG23 H 1 0.860 0.020 . 1 . . . . 9 THR QG2 . 25590 1 88 . 1 1 9 9 THR C C 13 172.316 0.3 . 1 . . . . 9 THR C . 25590 1 89 . 1 1 9 9 THR CA C 13 61.344 0.3 . 1 . . . . 9 THR CA . 25590 1 90 . 1 1 9 9 THR CB C 13 71.245 0.3 . 1 . . . . 9 THR CB . 25590 1 91 . 1 1 9 9 THR CG2 C 13 20.182 0.3 . 1 . . . . 9 THR CG2 . 25590 1 92 . 1 1 9 9 THR N N 15 119.200 0.3 . 1 . . . . 9 THR N . 25590 1 93 . 1 1 10 10 THR H H 1 8.379 0.020 . 1 . . . . 10 THR H . 25590 1 94 . 1 1 10 10 THR HA H 1 5.248 0.020 . 1 . . . . 10 THR HA . 25590 1 95 . 1 1 10 10 THR HB H 1 4.219 0.020 . 1 . . . . 10 THR HB . 25590 1 96 . 1 1 10 10 THR HG21 H 1 1.212 0.020 . 1 . . . . 10 THR QG2 . 25590 1 97 . 1 1 10 10 THR HG22 H 1 1.212 0.020 . 1 . . . . 10 THR QG2 . 25590 1 98 . 1 1 10 10 THR HG23 H 1 1.212 0.020 . 1 . . . . 10 THR QG2 . 25590 1 99 . 1 1 10 10 THR C C 13 173.145 0.3 . 1 . . . . 10 THR C . 25590 1 100 . 1 1 10 10 THR CA C 13 60.662 0.3 . 1 . . . . 10 THR CA . 25590 1 101 . 1 1 10 10 THR CB C 13 70.936 0.3 . 1 . . . . 10 THR CB . 25590 1 102 . 1 1 10 10 THR CG2 C 13 21.608 0.3 . 1 . . . . 10 THR CG2 . 25590 1 103 . 1 1 10 10 THR N N 15 117.066 0.3 . 1 . . . . 10 THR N . 25590 1 104 . 1 1 11 11 THR H H 1 8.713 0.020 . 1 . . . . 11 THR H . 25590 1 105 . 1 1 11 11 THR HA H 1 4.992 0.020 . 1 . . . . 11 THR HA . 25590 1 106 . 1 1 11 11 THR HB H 1 4.318 0.020 . 1 . . . . 11 THR HB . 25590 1 107 . 1 1 11 11 THR HG21 H 1 1.265 0.020 . 1 . . . . 11 THR QG2 . 25590 1 108 . 1 1 11 11 THR HG22 H 1 1.265 0.020 . 1 . . . . 11 THR QG2 . 25590 1 109 . 1 1 11 11 THR HG23 H 1 1.265 0.020 . 1 . . . . 11 THR QG2 . 25590 1 110 . 1 1 11 11 THR C C 13 172.874 0.3 . 1 . . . . 11 THR C . 25590 1 111 . 1 1 11 11 THR CA C 13 59.639 0.3 . 1 . . . . 11 THR CA . 25590 1 112 . 1 1 11 11 THR CB C 13 68.605 0.3 . 1 . . . . 11 THR CB . 25590 1 113 . 1 1 11 11 THR CG2 C 13 20.957 0.3 . 1 . . . . 11 THR CG2 . 25590 1 114 . 1 1 11 11 THR N N 15 117.061 0.3 . 1 . . . . 11 THR N . 25590 1 115 . 1 1 12 12 VAL H H 1 8.198 0.020 . 1 . . . . 12 VAL H . 25590 1 116 . 1 1 12 12 VAL HA H 1 4.296 0.020 . 1 . . . . 12 VAL HA . 25590 1 117 . 1 1 12 12 VAL HB H 1 2.366 0.020 . 1 . . . . 12 VAL HB . 25590 1 118 . 1 1 12 12 VAL HG11 H 1 1.012 0.020 . 2 . . . . 12 VAL QG1 . 25590 1 119 . 1 1 12 12 VAL HG12 H 1 1.012 0.020 . 2 . . . . 12 VAL QG1 . 25590 1 120 . 1 1 12 12 VAL HG13 H 1 1.012 0.020 . 2 . . . . 12 VAL QG1 . 25590 1 121 . 1 1 12 12 VAL HG21 H 1 0.984 0.020 . 2 . . . . 12 VAL QG2 . 25590 1 122 . 1 1 12 12 VAL HG22 H 1 0.984 0.020 . 2 . . . . 12 VAL QG2 . 25590 1 123 . 1 1 12 12 VAL HG23 H 1 0.984 0.020 . 2 . . . . 12 VAL QG2 . 25590 1 124 . 1 1 12 12 VAL C C 13 176.436 0.3 . 1 . . . . 12 VAL C . 25590 1 125 . 1 1 12 12 VAL CA C 13 62.824 0.3 . 1 . . . . 12 VAL CA . 25590 1 126 . 1 1 12 12 VAL CB C 13 31.625 0.3 . 1 . . . . 12 VAL CB . 25590 1 127 . 1 1 12 12 VAL CG1 C 13 20.985 0.3 . 1 . . . . 12 VAL CG1 . 25590 1 128 . 1 1 12 12 VAL CG2 C 13 19.029 0.3 . 1 . . . . 12 VAL CG2 . 25590 1 129 . 1 1 12 12 VAL N N 15 121.724 0.3 . 1 . . . . 12 VAL N . 25590 1 130 . 1 1 13 13 ILE H H 1 7.803 0.020 . 1 . . . . 13 ILE H . 25590 1 131 . 1 1 13 13 ILE HA H 1 3.958 0.020 . 1 . . . . 13 ILE HA . 25590 1 132 . 1 1 13 13 ILE HB H 1 1.828 0.020 . 1 . . . . 13 ILE HB . 25590 1 133 . 1 1 13 13 ILE HG12 H 1 1.599 0.020 . 2 . . . . 13 ILE HG12 . 25590 1 134 . 1 1 13 13 ILE HG13 H 1 1.484 0.020 . 2 . . . . 13 ILE HG13 . 25590 1 135 . 1 1 13 13 ILE HG21 H 1 1.185 0.020 . 1 . . . . 13 ILE QG2 . 25590 1 136 . 1 1 13 13 ILE HG22 H 1 1.185 0.020 . 1 . . . . 13 ILE QG2 . 25590 1 137 . 1 1 13 13 ILE HG23 H 1 1.185 0.020 . 1 . . . . 13 ILE QG2 . 25590 1 138 . 1 1 13 13 ILE HD11 H 1 0.816 0.020 . 1 . . . . 13 ILE QD1 . 25590 1 139 . 1 1 13 13 ILE HD12 H 1 0.816 0.020 . 1 . . . . 13 ILE QD1 . 25590 1 140 . 1 1 13 13 ILE HD13 H 1 0.816 0.020 . 1 . . . . 13 ILE QD1 . 25590 1 141 . 1 1 13 13 ILE C C 13 175.578 0.3 . 1 . . . . 13 ILE C . 25590 1 142 . 1 1 13 13 ILE CA C 13 59.903 0.3 . 1 . . . . 13 ILE CA . 25590 1 143 . 1 1 13 13 ILE CB C 13 35.834 0.3 . 1 . . . . 13 ILE CB . 25590 1 144 . 1 1 13 13 ILE CG1 C 13 29.414 0.3 . 1 . . . . 13 ILE CG1 . 25590 1 145 . 1 1 13 13 ILE CG2 C 13 18.667 0.3 . 1 . . . . 13 ILE CG2 . 25590 1 146 . 1 1 13 13 ILE CD1 C 13 12.622 0.3 . 1 . . . . 13 ILE CD1 . 25590 1 147 . 1 1 13 13 ILE N N 15 122.691 0.3 . 1 . . . . 13 ILE N . 25590 1 148 . 1 1 14 14 THR H H 1 7.822 0.020 . 1 . . . . 14 THR H . 25590 1 149 . 1 1 14 14 THR HA H 1 4.340 0.020 . 1 . . . . 14 THR HA . 25590 1 150 . 1 1 14 14 THR HB H 1 4.548 0.020 . 1 . . . . 14 THR HB . 25590 1 151 . 1 1 14 14 THR HG21 H 1 1.524 0.020 . 1 . . . . 14 THR QG2 . 25590 1 152 . 1 1 14 14 THR HG22 H 1 1.524 0.020 . 1 . . . . 14 THR QG2 . 25590 1 153 . 1 1 14 14 THR HG23 H 1 1.524 0.020 . 1 . . . . 14 THR QG2 . 25590 1 154 . 1 1 14 14 THR C C 13 173.267 0.3 . 1 . . . . 14 THR C . 25590 1 155 . 1 1 14 14 THR CA C 13 60.959 0.3 . 1 . . . . 14 THR CA . 25590 1 156 . 1 1 14 14 THR CB C 13 68.294 0.3 . 1 . . . . 14 THR CB . 25590 1 157 . 1 1 14 14 THR CG2 C 13 22.721 0.3 . 1 . . . . 14 THR CG2 . 25590 1 158 . 1 1 14 14 THR N N 15 118.673 0.3 . 1 . . . . 14 THR N . 25590 1 159 . 1 1 15 15 PRO HA H 1 3.982 0.020 . 1 . . . . 15 PRO HA . 25590 1 160 . 1 1 15 15 PRO HB2 H 1 1.571 0.020 . 2 . . . . 15 PRO HB2 . 25590 1 161 . 1 1 15 15 PRO HB3 H 1 1.282 0.020 . 2 . . . . 15 PRO HB3 . 25590 1 162 . 1 1 15 15 PRO HG2 H 1 2.029 0.020 . 2 . . . . 15 PRO HG2 . 25590 1 163 . 1 1 15 15 PRO HG3 H 1 1.863 0.020 . 2 . . . . 15 PRO HG3 . 25590 1 164 . 1 1 15 15 PRO HD2 H 1 3.710 0.020 . 2 . . . . 15 PRO HD2 . 25590 1 165 . 1 1 15 15 PRO HD3 H 1 3.657 0.020 . 2 . . . . 15 PRO HD3 . 25590 1 166 . 1 1 15 15 PRO C C 13 177.752 0.3 . 1 . . . . 15 PRO C . 25590 1 167 . 1 1 15 15 PRO CA C 13 66.340 0.3 . 1 . . . . 15 PRO CA . 25590 1 168 . 1 1 15 15 PRO CB C 13 31.493 0.3 . 1 . . . . 15 PRO CB . 25590 1 169 . 1 1 15 15 PRO CG C 13 26.80 0.3 . 1 . . . . 15 PRO CG . 25590 1 170 . 1 1 15 15 PRO CD C 13 50.637 0.3 . 1 . . . . 15 PRO CD . 25590 1 171 . 1 1 16 16 ALA H H 1 7.998 0.020 . 1 . . . . 16 ALA H . 25590 1 172 . 1 1 16 16 ALA HA H 1 3.828 0.020 . 1 . . . . 16 ALA HA . 25590 1 173 . 1 1 16 16 ALA HB1 H 1 1.519 0.020 . 1 . . . . 16 ALA HB . 25590 1 174 . 1 1 16 16 ALA HB2 H 1 1.519 0.020 . 1 . . . . 16 ALA HB . 25590 1 175 . 1 1 16 16 ALA HB3 H 1 1.519 0.020 . 1 . . . . 16 ALA HB . 25590 1 176 . 1 1 16 16 ALA C C 13 180.059 0.3 . 1 . . . . 16 ALA C . 25590 1 177 . 1 1 16 16 ALA CA C 13 55.344 0.3 . 1 . . . . 16 ALA CA . 25590 1 178 . 1 1 16 16 ALA CB C 13 18.044 0.3 . 1 . . . . 16 ALA CB . 25590 1 179 . 1 1 16 16 ALA N N 15 116.659 0.3 . 1 . . . . 16 ALA N . 25590 1 180 . 1 1 17 17 ARG H H 1 7.053 0.020 . 1 . . . . 17 ARG H . 25590 1 181 . 1 1 17 17 ARG HA H 1 4.112 0.020 . 1 . . . . 17 ARG HA . 25590 1 182 . 1 1 17 17 ARG HB2 H 1 1.798 0.020 . 2 . . . . 17 ARG HB2 . 25590 1 183 . 1 1 17 17 ARG HB3 H 1 1.629 0.020 . 2 . . . . 17 ARG HB3 . 25590 1 184 . 1 1 17 17 ARG HG2 H 1 1.681 0.020 . 2 . . . . 17 ARG HG2 . 25590 1 185 . 1 1 17 17 ARG HG3 H 1 1.594 0.020 . 2 . . . . 17 ARG HG3 . 25590 1 186 . 1 1 17 17 ARG HD2 H 1 2.972 0.020 . 2 . . . . 17 ARG HD2 . 25590 1 187 . 1 1 17 17 ARG HD3 H 1 2.863 0.020 . 2 . . . . 17 ARG HD3 . 25590 1 188 . 1 1 17 17 ARG HH11 H 1 6.787 0.020 . 1 . . . . 17 ARG HH11 . 25590 1 189 . 1 1 17 17 ARG HH12 H 1 7.058 0.020 . 1 . . . . 17 ARG HH12 . 25590 1 190 . 1 1 17 17 ARG C C 13 177.377 0.3 . 1 . . . . 17 ARG C . 25590 1 191 . 1 1 17 17 ARG CA C 13 59.200 0.3 . 1 . . . . 17 ARG CA . 25590 1 192 . 1 1 17 17 ARG CB C 13 30.667 0.3 . 1 . . . . 17 ARG CB . 25590 1 193 . 1 1 17 17 ARG CG C 13 29.199 0.3 . 1 . . . . 17 ARG CG . 25590 1 194 . 1 1 17 17 ARG CD C 13 42.061 0.3 . 1 . . . . 17 ARG CD . 25590 1 195 . 1 1 17 17 ARG N N 15 116.943 0.3 . 1 . . . . 17 ARG N . 25590 1 196 . 1 1 17 17 ARG NH1 N 15 86.738 0.3 . 1 . . . . 17 ARG NH1 . 25590 1 197 . 1 1 18 18 LEU H H 1 7.973 0.020 . 1 . . . . 18 LEU H . 25590 1 198 . 1 1 18 18 LEU HA H 1 3.823 0.020 . 1 . . . . 18 LEU HA . 25590 1 199 . 1 1 18 18 LEU HB2 H 1 1.728 0.020 . 2 . . . . 18 LEU HB2 . 25590 1 200 . 1 1 18 18 LEU HB3 H 1 1.420 0.020 . 2 . . . . 18 LEU HB3 . 25590 1 201 . 1 1 18 18 LEU HG H 1 1.560 0.020 . 1 . . . . 18 LEU HG . 25590 1 202 . 1 1 18 18 LEU HD11 H 1 0.890 0.020 . 2 . . . . 18 LEU QD1 . 25590 1 203 . 1 1 18 18 LEU HD12 H 1 0.890 0.020 . 2 . . . . 18 LEU QD1 . 25590 1 204 . 1 1 18 18 LEU HD13 H 1 0.890 0.020 . 2 . . . . 18 LEU QD1 . 25590 1 205 . 1 1 18 18 LEU HD21 H 1 0.793 0.020 . 2 . . . . 18 LEU QD2 . 25590 1 206 . 1 1 18 18 LEU HD22 H 1 0.793 0.020 . 2 . . . . 18 LEU QD2 . 25590 1 207 . 1 1 18 18 LEU HD23 H 1 0.793 0.020 . 2 . . . . 18 LEU QD2 . 25590 1 208 . 1 1 18 18 LEU C C 13 178.324 0.3 . 1 . . . . 18 LEU C . 25590 1 209 . 1 1 18 18 LEU CA C 13 57.402 0.3 . 1 . . . . 18 LEU CA . 25590 1 210 . 1 1 18 18 LEU CB C 13 41.707 0.3 . 1 . . . . 18 LEU CB . 25590 1 211 . 1 1 18 18 LEU CG C 13 29.118 0.3 . 1 . . . . 18 LEU CG . 25590 1 212 . 1 1 18 18 LEU CD1 C 13 25.967 0.3 . 1 . . . . 18 LEU CD1 . 25590 1 213 . 1 1 18 18 LEU CD2 C 13 23.480 0.3 . 1 . . . . 18 LEU CD2 . 25590 1 214 . 1 1 18 18 LEU N N 15 117.473 0.3 . 1 . . . . 18 LEU N . 25590 1 215 . 1 1 19 19 PHE H H 1 8.941 0.020 . 1 . . . . 19 PHE H . 25590 1 216 . 1 1 19 19 PHE HA H 1 4.952 0.020 . 1 . . . . 19 PHE HA . 25590 1 217 . 1 1 19 19 PHE HB2 H 1 2.647 0.020 . 2 . . . . 19 PHE HB2 . 25590 1 218 . 1 1 19 19 PHE HB3 H 1 2.118 0.020 . 2 . . . . 19 PHE HB3 . 25590 1 219 . 1 1 19 19 PHE HD1 H 1 7.166 0.020 . 1 . . . . 19 PHE HD1 . 25590 1 220 . 1 1 19 19 PHE HD2 H 1 7.166 0.020 . 1 . . . . 19 PHE HD2 . 25590 1 221 . 1 1 19 19 PHE C C 13 178.052 0.3 . 1 . . . . 19 PHE C . 25590 1 222 . 1 1 19 19 PHE CA C 13 62.707 0.3 . 1 . . . . 19 PHE CA . 25590 1 223 . 1 1 19 19 PHE CB C 13 42.941 0.3 . 1 . . . . 19 PHE CB . 25590 1 224 . 1 1 19 19 PHE CD1 C 13 131.567 0.3 . 1 . . . . 19 PHE CD1 . 25590 1 225 . 1 1 19 19 PHE N N 15 118.939 0.3 . 1 . . . . 19 PHE N . 25590 1 226 . 1 1 20 20 LYS H H 1 7.885 0.020 . 1 . . . . 20 LYS H . 25590 1 227 . 1 1 20 20 LYS HA H 1 3.833 0.020 . 1 . . . . 20 LYS HA . 25590 1 228 . 1 1 20 20 LYS HB2 H 1 2.120 0.020 . 2 . . . . 20 LYS HB2 . 25590 1 229 . 1 1 20 20 LYS HB3 H 1 1.997 0.020 . 2 . . . . 20 LYS HB3 . 25590 1 230 . 1 1 20 20 LYS HG2 H 1 1.429 0.020 . 2 . . . . 20 LYS HG2 . 25590 1 231 . 1 1 20 20 LYS HG3 H 1 1.333 0.020 . 2 . . . . 20 LYS HG3 . 25590 1 232 . 1 1 20 20 LYS HD2 H 1 1.818 0.020 . 2 . . . . 20 LYS HD2 . 25590 1 233 . 1 1 20 20 LYS HD3 H 1 1.675 0.020 . 2 . . . . 20 LYS HD3 . 25590 1 234 . 1 1 20 20 LYS HE2 H 1 3.027 0.020 . 2 . . . . 20 LYS HE2 . 25590 1 235 . 1 1 20 20 LYS HE3 H 1 2.931 0.020 . 2 . . . . 20 LYS HE3 . 25590 1 236 . 1 1 20 20 LYS C C 13 176.356 0.3 . 1 . . . . 20 LYS C . 25590 1 237 . 1 1 20 20 LYS CA C 13 60.419 0.3 . 1 . . . . 20 LYS CA . 25590 1 238 . 1 1 20 20 LYS CB C 13 33.158 0.3 . 1 . . . . 20 LYS CB . 25590 1 239 . 1 1 20 20 LYS CG C 13 24.771 0.3 . 1 . . . . 20 LYS CG . 25590 1 240 . 1 1 20 20 LYS CD C 13 29.294 0.3 . 1 . . . . 20 LYS CD . 25590 1 241 . 1 1 20 20 LYS CE C 13 42.043 0.3 . 1 . . . . 20 LYS CE . 25590 1 242 . 1 1 20 20 LYS N N 15 117.787 0.3 . 1 . . . . 20 LYS N . 25590 1 243 . 1 1 21 21 ALA H H 1 7.382 0.020 . 1 . . . . 21 ALA H . 25590 1 244 . 1 1 21 21 ALA HA H 1 4.145 0.020 . 1 . . . . 21 ALA HA . 25590 1 245 . 1 1 21 21 ALA HB1 H 1 1.343 0.020 . 1 . . . . 21 ALA HB . 25590 1 246 . 1 1 21 21 ALA HB2 H 1 1.343 0.020 . 1 . . . . 21 ALA HB . 25590 1 247 . 1 1 21 21 ALA HB3 H 1 1.343 0.020 . 1 . . . . 21 ALA HB . 25590 1 248 . 1 1 21 21 ALA C C 13 175.393 0.3 . 1 . . . . 21 ALA C . 25590 1 249 . 1 1 21 21 ALA CA C 13 54.625 0.3 . 1 . . . . 21 ALA CA . 25590 1 250 . 1 1 21 21 ALA CB C 13 20.253 0.3 . 1 . . . . 21 ALA CB . 25590 1 251 . 1 1 21 21 ALA N N 15 118.404 0.3 . 1 . . . . 21 ALA N . 25590 1 252 . 1 1 22 22 PHE H H 1 8.250 0.020 . 1 . . . . 22 PHE H . 25590 1 253 . 1 1 22 22 PHE HA H 1 3.133 0.020 . 1 . . . . 22 PHE HA . 25590 1 254 . 1 1 22 22 PHE HB2 H 1 2.914 0.020 . 1 . . . . 22 PHE HB2 . 25590 1 255 . 1 1 22 22 PHE HB3 H 1 2.914 0.020 . 1 . . . . 22 PHE HB3 . 25590 1 256 . 1 1 22 22 PHE HD1 H 1 6.978 0.020 . 1 . . . . 22 PHE HD1 . 25590 1 257 . 1 1 22 22 PHE HD2 H 1 6.978 0.020 . 1 . . . . 22 PHE HD2 . 25590 1 258 . 1 1 22 22 PHE HE1 H 1 7.089 0.020 . 1 . . . . 22 PHE HE1 . 25590 1 259 . 1 1 22 22 PHE HE2 H 1 7.089 0.020 . 1 . . . . 22 PHE HE2 . 25590 1 260 . 1 1 22 22 PHE CA C 13 54.594 0.3 . 1 . . . . 22 PHE CA . 25590 1 261 . 1 1 22 22 PHE CB C 13 41.058 0.3 . 1 . . . . 22 PHE CB . 25590 1 262 . 1 1 22 22 PHE CD1 C 13 134.841 0.3 . 1 . . . . 22 PHE CD1 . 25590 1 263 . 1 1 22 22 PHE CE1 C 13 131.04 0.3 . 1 . . . . 22 PHE CE1 . 25590 1 264 . 1 1 22 22 PHE N N 15 109.656 0.3 . 1 . . . . 22 PHE N . 25590 1 265 . 1 1 23 23 VAL H H 1 7.072 0.020 . 1 . . . . 23 VAL H . 25590 1 266 . 1 1 23 23 VAL HA H 1 3.427 0.020 . 1 . . . . 23 VAL HA . 25590 1 267 . 1 1 23 23 VAL HB H 1 1.183 0.020 . 1 . . . . 23 VAL HB . 25590 1 268 . 1 1 23 23 VAL HG11 H 1 0.232 0.020 . 2 . . . . 23 VAL QG1 . 25590 1 269 . 1 1 23 23 VAL HG12 H 1 0.232 0.020 . 2 . . . . 23 VAL QG1 . 25590 1 270 . 1 1 23 23 VAL HG13 H 1 0.232 0.020 . 2 . . . . 23 VAL QG1 . 25590 1 271 . 1 1 23 23 VAL HG21 H 1 0.035 0.020 . 2 . . . . 23 VAL QG2 . 25590 1 272 . 1 1 23 23 VAL HG22 H 1 0.035 0.020 . 2 . . . . 23 VAL QG2 . 25590 1 273 . 1 1 23 23 VAL HG23 H 1 0.035 0.020 . 2 . . . . 23 VAL QG2 . 25590 1 274 . 1 1 23 23 VAL C C 13 177.690 0.3 . 1 . . . . 23 VAL C . 25590 1 275 . 1 1 23 23 VAL CA C 13 63.784 0.3 . 1 . . . . 23 VAL CA . 25590 1 276 . 1 1 23 23 VAL CB C 13 30.957 0.3 . 1 . . . . 23 VAL CB . 25590 1 277 . 1 1 23 23 VAL CG1 C 13 20.189 0.3 . 1 . . . . 23 VAL CG1 . 25590 1 278 . 1 1 23 23 VAL CG2 C 13 20.978 0.3 . 1 . . . . 23 VAL CG2 . 25590 1 279 . 1 1 23 23 VAL N N 15 112.282 0.3 . 1 . . . . 23 VAL N . 25590 1 280 . 1 1 24 24 LEU H H 1 7.685 0.020 . 1 . . . . 24 LEU H . 25590 1 281 . 1 1 24 24 LEU HA H 1 4.059 0.020 . 1 . . . . 24 LEU HA . 25590 1 282 . 1 1 24 24 LEU HB2 H 1 1.653 0.020 . 2 . . . . 24 LEU HB2 . 25590 1 283 . 1 1 24 24 LEU HB3 H 1 1.606 0.020 . 2 . . . . 24 LEU HB3 . 25590 1 284 . 1 1 24 24 LEU HG H 1 1.194 0.020 . 1 . . . . 24 LEU HG . 25590 1 285 . 1 1 24 24 LEU HD11 H 1 0.675 0.020 . 2 . . . . 24 LEU QD1 . 25590 1 286 . 1 1 24 24 LEU HD12 H 1 0.675 0.020 . 2 . . . . 24 LEU QD1 . 25590 1 287 . 1 1 24 24 LEU HD13 H 1 0.675 0.020 . 2 . . . . 24 LEU QD1 . 25590 1 288 . 1 1 24 24 LEU HD21 H 1 0.674 0.020 . 2 . . . . 24 LEU QD2 . 25590 1 289 . 1 1 24 24 LEU HD22 H 1 0.674 0.020 . 2 . . . . 24 LEU QD2 . 25590 1 290 . 1 1 24 24 LEU HD23 H 1 0.674 0.020 . 2 . . . . 24 LEU QD2 . 25590 1 291 . 1 1 24 24 LEU C C 13 178.685 0.3 . 1 . . . . 24 LEU C . 25590 1 292 . 1 1 24 24 LEU CA C 13 57.816 0.3 . 1 . . . . 24 LEU CA . 25590 1 293 . 1 1 24 24 LEU CB C 13 42.551 0.3 . 1 . . . . 24 LEU CB . 25590 1 294 . 1 1 24 24 LEU CG C 13 27.014 0.3 . 1 . . . . 24 LEU CG . 25590 1 295 . 1 1 24 24 LEU CD1 C 13 26.592 0.3 . 1 . . . . 24 LEU CD1 . 25590 1 296 . 1 1 24 24 LEU CD2 C 13 22.037 0.3 . 1 . . . . 24 LEU CD2 . 25590 1 297 . 1 1 24 24 LEU N N 15 116.411 0.3 . 1 . . . . 24 LEU N . 25590 1 298 . 1 1 25 25 ASP H H 1 7.678 0.020 . 1 . . . . 25 ASP H . 25590 1 299 . 1 1 25 25 ASP HA H 1 5.494 0.020 . 1 . . . . 25 ASP HA . 25590 1 300 . 1 1 25 25 ASP HB2 H 1 2.947 0.020 . 1 . . . . 25 ASP HB2 . 25590 1 301 . 1 1 25 25 ASP HB3 H 1 2.947 0.020 . 1 . . . . 25 ASP HB3 . 25590 1 302 . 1 1 25 25 ASP C C 13 177.306 0.3 . 1 . . . . 25 ASP C . 25590 1 303 . 1 1 25 25 ASP CA C 13 52.819 0.3 . 1 . . . . 25 ASP CA . 25590 1 304 . 1 1 25 25 ASP CB C 13 42.224 0.3 . 1 . . . . 25 ASP CB . 25590 1 305 . 1 1 25 25 ASP N N 15 117.783 0.3 . 1 . . . . 25 ASP N . 25590 1 306 . 1 1 26 26 ALA H H 1 6.513 0.020 . 1 . . . . 26 ALA H . 25590 1 307 . 1 1 26 26 ALA HA H 1 3.683 0.020 . 1 . . . . 26 ALA HA . 25590 1 308 . 1 1 26 26 ALA HB1 H 1 1.183 0.020 . 1 . . . . 26 ALA HB . 25590 1 309 . 1 1 26 26 ALA HB2 H 1 1.183 0.020 . 1 . . . . 26 ALA HB . 25590 1 310 . 1 1 26 26 ALA HB3 H 1 1.183 0.020 . 1 . . . . 26 ALA HB . 25590 1 311 . 1 1 26 26 ALA C C 13 178.391 0.3 . 1 . . . . 26 ALA C . 25590 1 312 . 1 1 26 26 ALA CA C 13 56.264 0.3 . 1 . . . . 26 ALA CA . 25590 1 313 . 1 1 26 26 ALA CB C 13 19.372 0.3 . 1 . . . . 26 ALA CB . 25590 1 314 . 1 1 26 26 ALA N N 15 122.126 0.3 . 1 . . . . 26 ALA N . 25590 1 315 . 1 1 27 27 ASP H H 1 8.152 0.020 . 1 . . . . 27 ASP H . 25590 1 316 . 1 1 27 27 ASP HA H 1 4.027 0.020 . 1 . . . . 27 ASP HA . 25590 1 317 . 1 1 27 27 ASP HB2 H 1 2.679 0.020 . 2 . . . . 27 ASP HB2 . 25590 1 318 . 1 1 27 27 ASP HB3 H 1 2.392 0.020 . 2 . . . . 27 ASP HB3 . 25590 1 319 . 1 1 27 27 ASP C C 13 176.098 0.3 . 1 . . . . 27 ASP C . 25590 1 320 . 1 1 27 27 ASP CA C 13 56.950 0.3 . 1 . . . . 27 ASP CA . 25590 1 321 . 1 1 27 27 ASP CB C 13 40.136 0.3 . 1 . . . . 27 ASP CB . 25590 1 322 . 1 1 27 27 ASP N N 15 112.434 0.3 . 1 . . . . 27 ASP N . 25590 1 323 . 1 1 28 28 ASN H H 1 7.305 0.020 . 1 . . . . 28 ASN H . 25590 1 324 . 1 1 28 28 ASN HA H 1 4.698 0.020 . 1 . . . . 28 ASN HA . 25590 1 325 . 1 1 28 28 ASN HB2 H 1 2.709 0.020 . 1 . . . . 28 ASN HB2 . 25590 1 326 . 1 1 28 28 ASN HB3 H 1 2.709 0.020 . 1 . . . . 28 ASN HB3 . 25590 1 327 . 1 1 28 28 ASN HD21 H 1 7.387 0.020 . 1 . . . . 28 ASN HD21 . 25590 1 328 . 1 1 28 28 ASN HD22 H 1 6.586 0.020 . 1 . . . . 28 ASN HD22 . 25590 1 329 . 1 1 28 28 ASN C C 13 176.191 0.3 . 1 . . . . 28 ASN C . 25590 1 330 . 1 1 28 28 ASN CA C 13 53.822 0.3 . 1 . . . . 28 ASN CA . 25590 1 331 . 1 1 28 28 ASN CB C 13 40.146 0.3 . 1 . . . . 28 ASN CB . 25590 1 332 . 1 1 28 28 ASN N N 15 112.690 0.3 . 1 . . . . 28 ASN N . 25590 1 333 . 1 1 28 28 ASN ND2 N 15 111.734 0.3 . 1 . . . . 28 ASN ND2 . 25590 1 334 . 1 1 29 29 LEU H H 1 8.254 0.020 . 1 . . . . 29 LEU H . 25590 1 335 . 1 1 29 29 LEU HA H 1 4.060 0.020 . 1 . . . . 29 LEU HA . 25590 1 336 . 1 1 29 29 LEU HB2 H 1 1.671 0.020 . 2 . . . . 29 LEU HB2 . 25590 1 337 . 1 1 29 29 LEU HB3 H 1 1.486 0.020 . 2 . . . . 29 LEU HB3 . 25590 1 338 . 1 1 29 29 LEU HG H 1 1.187 0.020 . 1 . . . . 29 LEU HG . 25590 1 339 . 1 1 29 29 LEU HD11 H 1 0.666 0.020 . 2 . . . . 29 LEU QD1 . 25590 1 340 . 1 1 29 29 LEU HD12 H 1 0.666 0.020 . 2 . . . . 29 LEU QD1 . 25590 1 341 . 1 1 29 29 LEU HD13 H 1 0.666 0.020 . 2 . . . . 29 LEU QD1 . 25590 1 342 . 1 1 29 29 LEU HD21 H 1 0.518 0.020 . 2 . . . . 29 LEU QD2 . 25590 1 343 . 1 1 29 29 LEU HD22 H 1 0.518 0.020 . 2 . . . . 29 LEU QD2 . 25590 1 344 . 1 1 29 29 LEU HD23 H 1 0.518 0.020 . 2 . . . . 29 LEU QD2 . 25590 1 345 . 1 1 29 29 LEU C C 13 178.233 0.3 . 1 . . . . 29 LEU C . 25590 1 346 . 1 1 29 29 LEU CA C 13 57.520 0.3 . 1 . . . . 29 LEU CA . 25590 1 347 . 1 1 29 29 LEU CB C 13 42.654 0.3 . 1 . . . . 29 LEU CB . 25590 1 348 . 1 1 29 29 LEU CG C 13 27.022 0.3 . 1 . . . . 29 LEU CG . 25590 1 349 . 1 1 29 29 LEU CD1 C 13 26.594 0.3 . 1 . . . . 29 LEU CD1 . 25590 1 350 . 1 1 29 29 LEU CD2 C 13 22.359 0.3 . 1 . . . . 29 LEU CD2 . 25590 1 351 . 1 1 29 29 LEU N N 15 119.616 0.3 . 1 . . . . 29 LEU N . 25590 1 352 . 1 1 30 30 ILE H H 1 8.373 0.020 . 1 . . . . 30 ILE H . 25590 1 353 . 1 1 30 30 ILE HA H 1 3.631 0.020 . 1 . . . . 30 ILE HA . 25590 1 354 . 1 1 30 30 ILE HB H 1 2.049 0.020 . 1 . . . . 30 ILE HB . 25590 1 355 . 1 1 30 30 ILE HG12 H 1 1.658 0.020 . 2 . . . . 30 ILE HG12 . 25590 1 356 . 1 1 30 30 ILE HG13 H 1 1.311 0.020 . 2 . . . . 30 ILE HG13 . 25590 1 357 . 1 1 30 30 ILE HG21 H 1 0.786 0.020 . 1 . . . . 30 ILE QG2 . 25590 1 358 . 1 1 30 30 ILE HG22 H 1 0.786 0.020 . 1 . . . . 30 ILE QG2 . 25590 1 359 . 1 1 30 30 ILE HG23 H 1 0.786 0.020 . 1 . . . . 30 ILE QG2 . 25590 1 360 . 1 1 30 30 ILE HD11 H 1 1.096 0.020 . 1 . . . . 30 ILE QD1 . 25590 1 361 . 1 1 30 30 ILE HD12 H 1 1.096 0.020 . 1 . . . . 30 ILE QD1 . 25590 1 362 . 1 1 30 30 ILE HD13 H 1 1.096 0.020 . 1 . . . . 30 ILE QD1 . 25590 1 363 . 1 1 30 30 ILE C C 13 174.519 0.3 . 1 . . . . 30 ILE C . 25590 1 364 . 1 1 30 30 ILE CA C 13 67.529 0.3 . 1 . . . . 30 ILE CA . 25590 1 365 . 1 1 30 30 ILE CB C 13 34.008 0.3 . 1 . . . . 30 ILE CB . 25590 1 366 . 1 1 30 30 ILE CG1 C 13 29.260 0.3 . 1 . . . . 30 ILE CG1 . 25590 1 367 . 1 1 30 30 ILE CG2 C 13 18.184 0.3 . 1 . . . . 30 ILE CG2 . 25590 1 368 . 1 1 30 30 ILE CD1 C 13 14.588 0.3 . 1 . . . . 30 ILE CD1 . 25590 1 369 . 1 1 30 30 ILE N N 15 116.946 0.3 . 1 . . . . 30 ILE N . 25590 1 370 . 1 1 31 31 PRO HA H 1 4.386 0.020 . 1 . . . . 31 PRO HA . 25590 1 371 . 1 1 31 31 PRO HB2 H 1 2.174 0.020 . 2 . . . . 31 PRO HB2 . 25590 1 372 . 1 1 31 31 PRO HB3 H 1 1.618 0.020 . 2 . . . . 31 PRO HB3 . 25590 1 373 . 1 1 31 31 PRO HG2 H 1 2.055 0.020 . 2 . . . . 31 PRO HG2 . 25590 1 374 . 1 1 31 31 PRO HG3 H 1 1.951 0.020 . 2 . . . . 31 PRO HG3 . 25590 1 375 . 1 1 31 31 PRO HD2 H 1 3.375 0.020 . 2 . . . . 31 PRO HD2 . 25590 1 376 . 1 1 31 31 PRO HD3 H 1 3.676 0.020 . 2 . . . . 31 PRO HD3 . 25590 1 377 . 1 1 31 31 PRO C C 13 177.318 0.3 . 1 . . . . 31 PRO C . 25590 1 378 . 1 1 31 31 PRO CA C 13 64.731 0.3 . 1 . . . . 31 PRO CA . 25590 1 379 . 1 1 31 31 PRO CB C 13 31.110 0.3 . 1 . . . . 31 PRO CB . 25590 1 380 . 1 1 31 31 PRO CG C 13 27.037 0.3 . 1 . . . . 31 PRO CG . 25590 1 381 . 1 1 31 31 PRO CD C 13 50.616 0.3 . 1 . . . . 31 PRO CD . 25590 1 382 . 1 1 32 32 LYS H H 1 6.699 0.020 . 1 . . . . 32 LYS H . 25590 1 383 . 1 1 32 32 LYS HA H 1 4.168 0.020 . 1 . . . . 32 LYS HA . 25590 1 384 . 1 1 32 32 LYS HB2 H 1 1.887 0.020 . 2 . . . . 32 LYS HB2 . 25590 1 385 . 1 1 32 32 LYS HB3 H 1 1.855 0.020 . 2 . . . . 32 LYS HB3 . 25590 1 386 . 1 1 32 32 LYS HG2 H 1 1.427 0.020 . 2 . . . . 32 LYS HG2 . 25590 1 387 . 1 1 32 32 LYS HG3 H 1 1.292 0.020 . 2 . . . . 32 LYS HG3 . 25590 1 388 . 1 1 32 32 LYS HD2 H 1 1.606 0.020 . 2 . . . . 32 LYS HD2 . 25590 1 389 . 1 1 32 32 LYS HD3 H 1 1.481 0.020 . 2 . . . . 32 LYS HD3 . 25590 1 390 . 1 1 32 32 LYS HE2 H 1 2.923 0.020 . 2 . . . . 32 LYS HE2 . 25590 1 391 . 1 1 32 32 LYS HE3 H 1 2.799 0.020 . 2 . . . . 32 LYS HE3 . 25590 1 392 . 1 1 32 32 LYS C C 13 178.504 0.3 . 1 . . . . 32 LYS C . 25590 1 393 . 1 1 32 32 LYS CA C 13 58.104 0.3 . 1 . . . . 32 LYS CA . 25590 1 394 . 1 1 32 32 LYS CB C 13 32.771 0.3 . 1 . . . . 32 LYS CB . 25590 1 395 . 1 1 32 32 LYS CG C 13 24.998 0.3 . 1 . . . . 32 LYS CG . 25590 1 396 . 1 1 32 32 LYS CD C 13 29.167 0.3 . 1 . . . . 32 LYS CD . 25590 1 397 . 1 1 32 32 LYS CE C 13 42.043 0.3 . 1 . . . . 32 LYS CE . 25590 1 398 . 1 1 32 32 LYS N N 15 112.105 0.3 . 1 . . . . 32 LYS N . 25590 1 399 . 1 1 33 33 VAL H H 1 7.691 0.020 . 1 . . . . 33 VAL H . 25590 1 400 . 1 1 33 33 VAL HA H 1 4.271 0.020 . 1 . . . . 33 VAL HA . 25590 1 401 . 1 1 33 33 VAL HB H 1 2.162 0.020 . 1 . . . . 33 VAL HB . 25590 1 402 . 1 1 33 33 VAL HG11 H 1 0.702 0.020 . 2 . . . . 33 VAL QG1 . 25590 1 403 . 1 1 33 33 VAL HG12 H 1 0.702 0.020 . 2 . . . . 33 VAL QG1 . 25590 1 404 . 1 1 33 33 VAL HG13 H 1 0.702 0.020 . 2 . . . . 33 VAL QG1 . 25590 1 405 . 1 1 33 33 VAL HG21 H 1 0.747 0.020 . 2 . . . . 33 VAL QG2 . 25590 1 406 . 1 1 33 33 VAL HG22 H 1 0.747 0.020 . 2 . . . . 33 VAL QG2 . 25590 1 407 . 1 1 33 33 VAL HG23 H 1 0.747 0.020 . 2 . . . . 33 VAL QG2 . 25590 1 408 . 1 1 33 33 VAL C C 13 175.672 0.3 . 1 . . . . 33 VAL C . 25590 1 409 . 1 1 33 33 VAL CA C 13 61.779 0.3 . 1 . . . . 33 VAL CA . 25590 1 410 . 1 1 33 33 VAL CB C 13 32.309 0.3 . 1 . . . . 33 VAL CB . 25590 1 411 . 1 1 33 33 VAL CG1 C 13 19.872 0.3 . 1 . . . . 33 VAL CG1 . 25590 1 412 . 1 1 33 33 VAL CG2 C 13 19.863 0.3 . 1 . . . . 33 VAL CG2 . 25590 1 413 . 1 1 33 33 VAL N N 15 111.377 0.3 . 1 . . . . 33 VAL N . 25590 1 414 . 1 1 34 34 ALA H H 1 8.488 0.020 . 1 . . . . 34 ALA H . 25590 1 415 . 1 1 34 34 ALA HA H 1 5.009 0.020 . 1 . . . . 34 ALA HA . 25590 1 416 . 1 1 34 34 ALA HB1 H 1 1.235 0.020 . 1 . . . . 34 ALA HB . 25590 1 417 . 1 1 34 34 ALA HB2 H 1 1.235 0.020 . 1 . . . . 34 ALA HB . 25590 1 418 . 1 1 34 34 ALA HB3 H 1 1.235 0.020 . 1 . . . . 34 ALA HB . 25590 1 419 . 1 1 34 34 ALA C C 13 173.844 0.3 . 1 . . . . 34 ALA C . 25590 1 420 . 1 1 34 34 ALA CA C 13 50.228 0.3 . 1 . . . . 34 ALA CA . 25590 1 421 . 1 1 34 34 ALA CB C 13 18.683 0.3 . 1 . . . . 34 ALA CB . 25590 1 422 . 1 1 34 34 ALA N N 15 124.392 0.3 . 1 . . . . 34 ALA N . 25590 1 423 . 1 1 35 35 PRO HA H 1 4.743 0.020 . 1 . . . . 35 PRO HA . 25590 1 424 . 1 1 35 35 PRO HB2 H 1 2.493 0.020 . 2 . . . . 35 PRO HB2 . 25590 1 425 . 1 1 35 35 PRO HB3 H 1 1.956 0.020 . 2 . . . . 35 PRO HB3 . 25590 1 426 . 1 1 35 35 PRO HG2 H 1 1.820 0.020 . 2 . . . . 35 PRO HG2 . 25590 1 427 . 1 1 35 35 PRO HG3 H 1 1.672 0.020 . 2 . . . . 35 PRO HG3 . 25590 1 428 . 1 1 35 35 PRO HD2 H 1 3.680 0.020 . 1 . . . . 35 PRO HD2 . 25590 1 429 . 1 1 35 35 PRO HD3 H 1 3.680 0.020 . 1 . . . . 35 PRO HD3 . 25590 1 430 . 1 1 35 35 PRO C C 13 178.329 0.3 . 1 . . . . 35 PRO C . 25590 1 431 . 1 1 35 35 PRO CA C 13 64.702 0.3 . 1 . . . . 35 PRO CA . 25590 1 432 . 1 1 35 35 PRO CB C 13 31.523 0.3 . 1 . . . . 35 PRO CB . 25590 1 433 . 1 1 35 35 PRO CG C 13 28.961 0.3 . 1 . . . . 35 PRO CG . 25590 1 434 . 1 1 35 35 PRO CD C 13 49.916 0.3 . 1 . . . . 35 PRO CD . 25590 1 435 . 1 1 36 36 GLN H H 1 8.594 0.020 . 1 . . . . 36 GLN H . 25590 1 436 . 1 1 36 36 GLN HA H 1 4.261 0.020 . 1 . . . . 36 GLN HA . 25590 1 437 . 1 1 36 36 GLN HB2 H 1 2.044 0.020 . 2 . . . . 36 GLN HB2 . 25590 1 438 . 1 1 36 36 GLN HB3 H 1 1.922 0.020 . 2 . . . . 36 GLN HB3 . 25590 1 439 . 1 1 36 36 GLN HG2 H 1 2.353 0.020 . 2 . . . . 36 GLN HG2 . 25590 1 440 . 1 1 36 36 GLN HG3 H 1 2.278 0.020 . 2 . . . . 36 GLN HG3 . 25590 1 441 . 1 1 36 36 GLN C C 13 175.829 0.3 . 1 . . . . 36 GLN C . 25590 1 442 . 1 1 36 36 GLN CA C 13 57.109 0.3 . 1 . . . . 36 GLN CA . 25590 1 443 . 1 1 36 36 GLN CB C 13 27.311 0.3 . 1 . . . . 36 GLN CB . 25590 1 444 . 1 1 36 36 GLN CG C 13 36.382 0.3 . 1 . . . . 36 GLN CG . 25590 1 445 . 1 1 36 36 GLN N N 15 116.317 0.3 . 1 . . . . 36 GLN N . 25590 1 446 . 1 1 37 37 ALA H H 1 7.729 0.020 . 1 . . . . 37 ALA H . 25590 1 447 . 1 1 37 37 ALA HA H 1 4.506 0.020 . 1 . . . . 37 ALA HA . 25590 1 448 . 1 1 37 37 ALA HB1 H 1 1.486 0.020 . 1 . . . . 37 ALA HB . 25590 1 449 . 1 1 37 37 ALA HB2 H 1 1.486 0.020 . 1 . . . . 37 ALA HB . 25590 1 450 . 1 1 37 37 ALA HB3 H 1 1.486 0.020 . 1 . . . . 37 ALA HB . 25590 1 451 . 1 1 37 37 ALA C C 13 177.766 0.3 . 1 . . . . 37 ALA C . 25590 1 452 . 1 1 37 37 ALA CA C 13 53.731 0.3 . 1 . . . . 37 ALA CA . 25590 1 453 . 1 1 37 37 ALA CB C 13 20.354 0.3 . 1 . . . . 37 ALA CB . 25590 1 454 . 1 1 37 37 ALA N N 15 121.844 0.3 . 1 . . . . 37 ALA N . 25590 1 455 . 1 1 38 38 ILE H H 1 8.032 0.020 . 1 . . . . 38 ILE H . 25590 1 456 . 1 1 38 38 ILE HA H 1 4.169 0.020 . 1 . . . . 38 ILE HA . 25590 1 457 . 1 1 38 38 ILE HB H 1 1.613 0.020 . 1 . . . . 38 ILE HB . 25590 1 458 . 1 1 38 38 ILE HG12 H 1 1.094 0.020 . 2 . . . . 38 ILE HG12 . 25590 1 459 . 1 1 38 38 ILE HG13 H 1 1.269 0.020 . 2 . . . . 38 ILE HG13 . 25590 1 460 . 1 1 38 38 ILE HG21 H 1 0.561 0.020 . 1 . . . . 38 ILE QG2 . 25590 1 461 . 1 1 38 38 ILE HG22 H 1 0.561 0.020 . 1 . . . . 38 ILE QG2 . 25590 1 462 . 1 1 38 38 ILE HG23 H 1 0.561 0.020 . 1 . . . . 38 ILE QG2 . 25590 1 463 . 1 1 38 38 ILE HD11 H 1 0.658 0.020 . 1 . . . . 38 ILE QD1 . 25590 1 464 . 1 1 38 38 ILE HD12 H 1 0.658 0.020 . 1 . . . . 38 ILE QD1 . 25590 1 465 . 1 1 38 38 ILE HD13 H 1 0.658 0.020 . 1 . . . . 38 ILE QD1 . 25590 1 466 . 1 1 38 38 ILE C C 13 172.951 0.3 . 1 . . . . 38 ILE C . 25590 1 467 . 1 1 38 38 ILE CA C 13 59.870 0.3 . 1 . . . . 38 ILE CA . 25590 1 468 . 1 1 38 38 ILE CB C 13 39.501 0.3 . 1 . . . . 38 ILE CB . 25590 1 469 . 1 1 38 38 ILE CG1 C 13 26.626 0.3 . 1 . . . . 38 ILE CG1 . 25590 1 470 . 1 1 38 38 ILE CG2 C 13 17.103 0.3 . 1 . . . . 38 ILE CG2 . 25590 1 471 . 1 1 38 38 ILE CD1 C 13 11.540 0.3 . 1 . . . . 38 ILE CD1 . 25590 1 472 . 1 1 38 38 ILE N N 15 118.402 0.3 . 1 . . . . 38 ILE N . 25590 1 473 . 1 1 39 39 LYS H H 1 8.425 0.020 . 1 . . . . 39 LYS H . 25590 1 474 . 1 1 39 39 LYS HA H 1 4.393 0.020 . 1 . . . . 39 LYS HA . 25590 1 475 . 1 1 39 39 LYS HB2 H 1 1.558 0.020 . 2 . . . . 39 LYS HB2 . 25590 1 476 . 1 1 39 39 LYS HB3 H 1 1.527 0.020 . 2 . . . . 39 LYS HB3 . 25590 1 477 . 1 1 39 39 LYS HG2 H 1 1.452 0.020 . 2 . . . . 39 LYS HG2 . 25590 1 478 . 1 1 39 39 LYS HG3 H 1 1.338 0.020 . 2 . . . . 39 LYS HG3 . 25590 1 479 . 1 1 39 39 LYS HD2 H 1 1.934 0.020 . 2 . . . . 39 LYS HD2 . 25590 1 480 . 1 1 39 39 LYS HD3 H 1 1.816 0.020 . 2 . . . . 39 LYS HD3 . 25590 1 481 . 1 1 39 39 LYS HE2 H 1 2.977 0.020 . 2 . . . . 39 LYS HE2 . 25590 1 482 . 1 1 39 39 LYS HE3 H 1 2.877 0.020 . 2 . . . . 39 LYS HE3 . 25590 1 483 . 1 1 39 39 LYS C C 13 177.379 0.3 . 1 . . . . 39 LYS C . 25590 1 484 . 1 1 39 39 LYS CA C 13 57.337 0.3 . 1 . . . . 39 LYS CA . 25590 1 485 . 1 1 39 39 LYS CB C 13 34.059 0.3 . 1 . . . . 39 LYS CB . 25590 1 486 . 1 1 39 39 LYS CG C 13 24.939 0.3 . 1 . . . . 39 LYS CG . 25590 1 487 . 1 1 39 39 LYS CD C 13 29.17 0.3 . 1 . . . . 39 LYS CD . 25590 1 488 . 1 1 39 39 LYS CE C 13 41.873 0.3 . 1 . . . . 39 LYS CE . 25590 1 489 . 1 1 39 39 LYS N N 15 124.902 0.3 . 1 . . . . 39 LYS N . 25590 1 490 . 1 1 40 40 SER H H 1 7.759 0.020 . 1 . . . . 40 SER H . 25590 1 491 . 1 1 40 40 SER HA H 1 4.506 0.020 . 1 . . . . 40 SER HA . 25590 1 492 . 1 1 40 40 SER HB2 H 1 3.811 0.020 . 2 . . . . 40 SER HB2 . 25590 1 493 . 1 1 40 40 SER HB3 H 1 3.699 0.020 . 2 . . . . 40 SER HB3 . 25590 1 494 . 1 1 40 40 SER C C 13 171.630 0.3 . 1 . . . . 40 SER C . 25590 1 495 . 1 1 40 40 SER CA C 13 57.565 0.3 . 1 . . . . 40 SER CA . 25590 1 496 . 1 1 40 40 SER CB C 13 65.431 0.3 . 1 . . . . 40 SER CB . 25590 1 497 . 1 1 40 40 SER N N 15 108.743 0.3 . 1 . . . . 40 SER N . 25590 1 498 . 1 1 41 41 SER H H 1 8.403 0.020 . 1 . . . . 41 SER H . 25590 1 499 . 1 1 41 41 SER HA H 1 5.072 0.020 . 1 . . . . 41 SER HA . 25590 1 500 . 1 1 41 41 SER HB2 H 1 3.601 0.020 . 2 . . . . 41 SER HB2 . 25590 1 501 . 1 1 41 41 SER HB3 H 1 3.353 0.020 . 2 . . . . 41 SER HB3 . 25590 1 502 . 1 1 41 41 SER C C 13 173.157 0.3 . 1 . . . . 41 SER C . 25590 1 503 . 1 1 41 41 SER CA C 13 56.845 0.3 . 1 . . . . 41 SER CA . 25590 1 504 . 1 1 41 41 SER CB C 13 64.105 0.3 . 1 . . . . 41 SER CB . 25590 1 505 . 1 1 41 41 SER N N 15 115.743 0.3 . 1 . . . . 41 SER N . 25590 1 506 . 1 1 42 42 GLU H H 1 8.395 0.020 . 1 . . . . 42 GLU H . 25590 1 507 . 1 1 42 42 GLU HA H 1 4.755 0.020 . 1 . . . . 42 GLU HA . 25590 1 508 . 1 1 42 42 GLU HB2 H 1 1.902 0.020 . 1 . . . . 42 GLU HB2 . 25590 1 509 . 1 1 42 42 GLU HB3 H 1 1.902 0.020 . 1 . . . . 42 GLU HB3 . 25590 1 510 . 1 1 42 42 GLU HG2 H 1 2.296 0.020 . 2 . . . . 42 GLU HG2 . 25590 1 511 . 1 1 42 42 GLU HG3 H 1 2.186 0.020 . 2 . . . . 42 GLU HG3 . 25590 1 512 . 1 1 42 42 GLU C C 13 175.119 0.3 . 1 . . . . 42 GLU C . 25590 1 513 . 1 1 42 42 GLU CA C 13 54.176 0.3 . 1 . . . . 42 GLU CA . 25590 1 514 . 1 1 42 42 GLU CB C 13 33.768 0.3 . 1 . . . . 42 GLU CB . 25590 1 515 . 1 1 42 42 GLU CG C 13 36.113 0.3 . 1 . . . . 42 GLU CG . 25590 1 516 . 1 1 42 42 GLU N N 15 124.119 0.3 . 1 . . . . 42 GLU N . 25590 1 517 . 1 1 43 43 ILE H H 1 9.259 0.020 . 1 . . . . 43 ILE H . 25590 1 518 . 1 1 43 43 ILE HA H 1 4.000 0.020 . 1 . . . . 43 ILE HA . 25590 1 519 . 1 1 43 43 ILE HB H 1 1.726 0.020 . 1 . . . . 43 ILE HB . 25590 1 520 . 1 1 43 43 ILE HG12 H 1 0.948 0.020 . 2 . . . . 43 ILE HG12 . 25590 1 521 . 1 1 43 43 ILE HG13 H 1 0.662 0.020 . 2 . . . . 43 ILE HG13 . 25590 1 522 . 1 1 43 43 ILE HG21 H 1 0.316 0.020 . 1 . . . . 43 ILE QG2 . 25590 1 523 . 1 1 43 43 ILE HG22 H 1 0.316 0.020 . 1 . . . . 43 ILE QG2 . 25590 1 524 . 1 1 43 43 ILE HG23 H 1 0.316 0.020 . 1 . . . . 43 ILE QG2 . 25590 1 525 . 1 1 43 43 ILE HD11 H 1 0.082 0.020 . 1 . . . . 43 ILE QD1 . 25590 1 526 . 1 1 43 43 ILE HD12 H 1 0.082 0.020 . 1 . . . . 43 ILE QD1 . 25590 1 527 . 1 1 43 43 ILE HD13 H 1 0.082 0.020 . 1 . . . . 43 ILE QD1 . 25590 1 528 . 1 1 43 43 ILE C C 13 176.290 0.3 . 1 . . . . 43 ILE C . 25590 1 529 . 1 1 43 43 ILE CA C 13 62.821 0.3 . 1 . . . . 43 ILE CA . 25590 1 530 . 1 1 43 43 ILE CB C 13 38.045 0.3 . 1 . . . . 43 ILE CB . 25590 1 531 . 1 1 43 43 ILE CG1 C 13 27.163 0.3 . 1 . . . . 43 ILE CG1 . 25590 1 532 . 1 1 43 43 ILE CG2 C 13 16.284 0.3 . 1 . . . . 43 ILE CG2 . 25590 1 533 . 1 1 43 43 ILE CD1 C 13 12.259 0.3 . 1 . . . . 43 ILE CD1 . 25590 1 534 . 1 1 43 43 ILE N N 15 124.675 0.3 . 1 . . . . 43 ILE N . 25590 1 535 . 1 1 44 44 ILE H H 1 9.117 0.020 . 1 . . . . 44 ILE H . 25590 1 536 . 1 1 44 44 ILE HA H 1 4.360 0.020 . 1 . . . . 44 ILE HA . 25590 1 537 . 1 1 44 44 ILE HB H 1 1.861 0.020 . 1 . . . . 44 ILE HB . 25590 1 538 . 1 1 44 44 ILE HG12 H 1 1.167 0.020 . 2 . . . . 44 ILE HG12 . 25590 1 539 . 1 1 44 44 ILE HG13 H 1 1.125 0.020 . 2 . . . . 44 ILE HG13 . 25590 1 540 . 1 1 44 44 ILE HG21 H 1 0.921 0.020 . 1 . . . . 44 ILE QG2 . 25590 1 541 . 1 1 44 44 ILE HG22 H 1 0.921 0.020 . 1 . . . . 44 ILE QG2 . 25590 1 542 . 1 1 44 44 ILE HG23 H 1 0.921 0.020 . 1 . . . . 44 ILE QG2 . 25590 1 543 . 1 1 44 44 ILE HD11 H 1 0.807 0.020 . 1 . . . . 44 ILE QD1 . 25590 1 544 . 1 1 44 44 ILE HD12 H 1 0.807 0.020 . 1 . . . . 44 ILE QD1 . 25590 1 545 . 1 1 44 44 ILE HD13 H 1 0.807 0.020 . 1 . . . . 44 ILE QD1 . 25590 1 546 . 1 1 44 44 ILE C C 13 175.866 0.3 . 1 . . . . 44 ILE C . 25590 1 547 . 1 1 44 44 ILE CA C 13 61.378 0.3 . 1 . . . . 44 ILE CA . 25590 1 548 . 1 1 44 44 ILE CB C 13 38.458 0.3 . 1 . . . . 44 ILE CB . 25590 1 549 . 1 1 44 44 ILE CG1 C 13 27.071 0.3 . 1 . . . . 44 ILE CG1 . 25590 1 550 . 1 1 44 44 ILE CG2 C 13 17.522 0.3 . 1 . . . . 44 ILE CG2 . 25590 1 551 . 1 1 44 44 ILE CD1 C 13 12.504 0.3 . 1 . . . . 44 ILE CD1 . 25590 1 552 . 1 1 44 44 ILE N N 15 126.323 0.3 . 1 . . . . 44 ILE N . 25590 1 553 . 1 1 45 45 GLU H H 1 7.728 0.020 . 1 . . . . 45 GLU H . 25590 1 554 . 1 1 45 45 GLU HA H 1 4.442 0.020 . 1 . . . . 45 GLU HA . 25590 1 555 . 1 1 45 45 GLU HB2 H 1 1.892 0.020 . 2 . . . . 45 GLU HB2 . 25590 1 556 . 1 1 45 45 GLU HB3 H 1 1.857 0.020 . 2 . . . . 45 GLU HB3 . 25590 1 557 . 1 1 45 45 GLU HG2 H 1 2.248 0.020 . 2 . . . . 45 GLU HG2 . 25590 1 558 . 1 1 45 45 GLU HG3 H 1 2.066 0.020 . 2 . . . . 45 GLU HG3 . 25590 1 559 . 1 1 45 45 GLU C C 13 174.683 0.3 . 1 . . . . 45 GLU C . 25590 1 560 . 1 1 45 45 GLU CA C 13 56.191 0.3 . 1 . . . . 45 GLU CA . 25590 1 561 . 1 1 45 45 GLU CB C 13 33.069 0.3 . 1 . . . . 45 GLU CB . 25590 1 562 . 1 1 45 45 GLU CG C 13 36.183 0.3 . 1 . . . . 45 GLU CG . 25590 1 563 . 1 1 45 45 GLU N N 15 119.346 0.3 . 1 . . . . 45 GLU N . 25590 1 564 . 1 1 46 46 GLY H H 1 8.529 0.020 . 1 . . . . 46 GLY H . 25590 1 565 . 1 1 46 46 GLY HA2 H 1 4.686 0.020 . 2 . . . . 46 GLY HA2 . 25590 1 566 . 1 1 46 46 GLY HA3 H 1 3.852 0.020 . 2 . . . . 46 GLY HA3 . 25590 1 567 . 1 1 46 46 GLY CA C 13 44.334 0.3 . 1 . . . . 46 GLY CA . 25590 1 568 . 1 1 46 46 GLY N N 15 110.699 0.3 . 1 . . . . 46 GLY N . 25590 1 569 . 1 1 47 47 SER HA H 1 4.661 0.020 . 1 . . . . 47 SER HA . 25590 1 570 . 1 1 47 47 SER HB2 H 1 4.065 0.020 . 2 . . . . 47 SER HB2 . 25590 1 571 . 1 1 47 47 SER HB3 H 1 3.871 0.020 . 2 . . . . 47 SER HB3 . 25590 1 572 . 1 1 47 47 SER C C 13 174.882 0.3 . 1 . . . . 47 SER C . 25590 1 573 . 1 1 47 47 SER CA C 13 57.798 0.3 . 1 . . . . 47 SER CA . 25590 1 574 . 1 1 47 47 SER CB C 13 64.561 0.3 . 1 . . . . 47 SER CB . 25590 1 575 . 1 1 48 48 GLY H H 1 8.655 0.020 . 1 . . . . 48 GLY H . 25590 1 576 . 1 1 48 48 GLY HA2 H 1 4.740 0.020 . 2 . . . . 48 GLY HA2 . 25590 1 577 . 1 1 48 48 GLY HA3 H 1 3.485 0.020 . 2 . . . . 48 GLY HA3 . 25590 1 578 . 1 1 48 48 GLY C C 13 174.072 0.3 . 1 . . . . 48 GLY C . 25590 1 579 . 1 1 48 48 GLY CA C 13 45.080 0.3 . 1 . . . . 48 GLY CA . 25590 1 580 . 1 1 48 48 GLY N N 15 111.162 0.3 . 1 . . . . 48 GLY N . 25590 1 581 . 1 1 49 49 GLY H H 1 8.615 0.020 . 1 . . . . 49 GLY H . 25590 1 582 . 1 1 49 49 GLY HA2 H 1 4.034 0.020 . 2 . . . . 49 GLY HA2 . 25590 1 583 . 1 1 49 49 GLY HA3 H 1 3.955 0.020 . 2 . . . . 49 GLY HA3 . 25590 1 584 . 1 1 49 49 GLY C C 13 174.170 0.3 . 1 . . . . 49 GLY C . 25590 1 585 . 1 1 49 49 GLY CA C 13 46.994 0.3 . 1 . . . . 49 GLY CA . 25590 1 586 . 1 1 49 49 GLY N N 15 110.628 0.3 . 1 . . . . 49 GLY N . 25590 1 587 . 1 1 50 50 PRO HA H 1 3.967 0.020 . 1 . . . . 50 PRO HA . 25590 1 588 . 1 1 50 50 PRO HB2 H 1 2.272 0.020 . 2 . . . . 50 PRO HB2 . 25590 1 589 . 1 1 50 50 PRO HB3 H 1 1.930 0.020 . 2 . . . . 50 PRO HB3 . 25590 1 590 . 1 1 50 50 PRO HG2 H 1 2.067 0.020 . 2 . . . . 50 PRO HG2 . 25590 1 591 . 1 1 50 50 PRO HG3 H 1 2.000 0.020 . 2 . . . . 50 PRO HG3 . 25590 1 592 . 1 1 50 50 PRO HD2 H 1 3.675 0.020 . 1 . . . . 50 PRO HD2 . 25590 1 593 . 1 1 50 50 PRO HD3 H 1 3.675 0.020 . 1 . . . . 50 PRO HD3 . 25590 1 594 . 1 1 50 50 PRO CA C 13 64.720 0.3 . 1 . . . . 50 PRO CA . 25590 1 595 . 1 1 50 50 PRO CB C 13 31.111 0.3 . 1 . . . . 50 PRO CB . 25590 1 596 . 1 1 50 50 PRO CG C 13 29.082 0.3 . 1 . . . . 50 PRO CG . 25590 1 597 . 1 1 50 50 PRO CD C 13 50.256 0.3 . 1 . . . . 50 PRO CD . 25590 1 598 . 1 1 51 51 GLY H H 1 9.556 0.020 . 1 . . . . 51 GLY H . 25590 1 599 . 1 1 51 51 GLY HA2 H 1 4.501 0.020 . 2 . . . . 51 GLY HA2 . 25590 1 600 . 1 1 51 51 GLY HA3 H 1 3.490 0.020 . 2 . . . . 51 GLY HA3 . 25590 1 601 . 1 1 51 51 GLY C C 13 174.207 0.3 . 1 . . . . 51 GLY C . 25590 1 602 . 1 1 51 51 GLY CA C 13 44.590 0.3 . 1 . . . . 51 GLY CA . 25590 1 603 . 1 1 51 51 GLY N N 15 114.275 0.3 . 1 . . . . 51 GLY N . 25590 1 604 . 1 1 52 52 THR H H 1 7.964 0.020 . 1 . . . . 52 THR H . 25590 1 605 . 1 1 52 52 THR HA H 1 4.602 0.020 . 1 . . . . 52 THR HA . 25590 1 606 . 1 1 52 52 THR HB H 1 4.053 0.020 . 1 . . . . 52 THR HB . 25590 1 607 . 1 1 52 52 THR HG21 H 1 1.268 0.020 . 1 . . . . 52 THR QG2 . 25590 1 608 . 1 1 52 52 THR HG22 H 1 1.268 0.020 . 1 . . . . 52 THR QG2 . 25590 1 609 . 1 1 52 52 THR HG23 H 1 1.268 0.020 . 1 . . . . 52 THR QG2 . 25590 1 610 . 1 1 52 52 THR C C 13 173.241 0.3 . 1 . . . . 52 THR C . 25590 1 611 . 1 1 52 52 THR CA C 13 64.522 0.3 . 1 . . . . 52 THR CA . 25590 1 612 . 1 1 52 52 THR CB C 13 69.588 0.3 . 1 . . . . 52 THR CB . 25590 1 613 . 1 1 52 52 THR CG2 C 13 20.792 0.3 . 1 . . . . 52 THR CG2 . 25590 1 614 . 1 1 52 52 THR N N 15 118.949 0.3 . 1 . . . . 52 THR N . 25590 1 615 . 1 1 53 53 ILE H H 1 8.857 0.020 . 1 . . . . 53 ILE H . 25590 1 616 . 1 1 53 53 ILE HA H 1 5.199 0.020 . 1 . . . . 53 ILE HA . 25590 1 617 . 1 1 53 53 ILE HB H 1 1.701 0.020 . 1 . . . . 53 ILE HB . 25590 1 618 . 1 1 53 53 ILE HG12 H 1 1.249 0.020 . 2 . . . . 53 ILE HG12 . 25590 1 619 . 1 1 53 53 ILE HG13 H 1 1.195 0.020 . 2 . . . . 53 ILE HG13 . 25590 1 620 . 1 1 53 53 ILE HG21 H 1 0.842 0.020 . 1 . . . . 53 ILE QG2 . 25590 1 621 . 1 1 53 53 ILE HG22 H 1 0.842 0.020 . 1 . . . . 53 ILE QG2 . 25590 1 622 . 1 1 53 53 ILE HG23 H 1 0.842 0.020 . 1 . . . . 53 ILE QG2 . 25590 1 623 . 1 1 53 53 ILE HD11 H 1 0.959 0.020 . 1 . . . . 53 ILE QD1 . 25590 1 624 . 1 1 53 53 ILE HD12 H 1 0.959 0.020 . 1 . . . . 53 ILE QD1 . 25590 1 625 . 1 1 53 53 ILE HD13 H 1 0.959 0.020 . 1 . . . . 53 ILE QD1 . 25590 1 626 . 1 1 53 53 ILE C C 13 175.278 0.3 . 1 . . . . 53 ILE C . 25590 1 627 . 1 1 53 53 ILE CA C 13 59.334 0.3 . 1 . . . . 53 ILE CA . 25590 1 628 . 1 1 53 53 ILE CB C 13 39.823 0.3 . 1 . . . . 53 ILE CB . 25590 1 629 . 1 1 53 53 ILE CG1 C 13 26.973 0.3 . 1 . . . . 53 ILE CG1 . 25590 1 630 . 1 1 53 53 ILE CG2 C 13 17.512 0.3 . 1 . . . . 53 ILE CG2 . 25590 1 631 . 1 1 53 53 ILE CD1 C 13 13.458 0.3 . 1 . . . . 53 ILE CD1 . 25590 1 632 . 1 1 53 53 ILE N N 15 126.234 0.3 . 1 . . . . 53 ILE N . 25590 1 633 . 1 1 54 54 LYS H H 1 9.398 0.020 . 1 . . . . 54 LYS H . 25590 1 634 . 1 1 54 54 LYS HA H 1 5.266 0.020 . 1 . . . . 54 LYS HA . 25590 1 635 . 1 1 54 54 LYS HB2 H 1 1.504 0.020 . 2 . . . . 54 LYS HB2 . 25590 1 636 . 1 1 54 54 LYS HB3 H 1 1.452 0.020 . 2 . . . . 54 LYS HB3 . 25590 1 637 . 1 1 54 54 LYS HG2 H 1 1.432 0.020 . 2 . . . . 54 LYS HG2 . 25590 1 638 . 1 1 54 54 LYS HG3 H 1 1.399 0.020 . 2 . . . . 54 LYS HG3 . 25590 1 639 . 1 1 54 54 LYS HD2 H 1 1.666 0.020 . 2 . . . . 54 LYS HD2 . 25590 1 640 . 1 1 54 54 LYS HD3 H 1 1.609 0.020 . 2 . . . . 54 LYS HD3 . 25590 1 641 . 1 1 54 54 LYS HE2 H 1 3.005 0.020 . 2 . . . . 54 LYS HE2 . 25590 1 642 . 1 1 54 54 LYS HE3 H 1 2.926 0.020 . 2 . . . . 54 LYS HE3 . 25590 1 643 . 1 1 54 54 LYS C C 13 174.705 0.3 . 1 . . . . 54 LYS C . 25590 1 644 . 1 1 54 54 LYS CA C 13 54.002 0.3 . 1 . . . . 54 LYS CA . 25590 1 645 . 1 1 54 54 LYS CB C 13 35.693 0.3 . 1 . . . . 54 LYS CB . 25590 1 646 . 1 1 54 54 LYS CG C 13 24.856 0.3 . 1 . . . . 54 LYS CG . 25590 1 647 . 1 1 54 54 LYS CD C 13 29.174 0.3 . 1 . . . . 54 LYS CD . 25590 1 648 . 1 1 54 54 LYS CE C 13 42.093 0.3 . 1 . . . . 54 LYS CE . 25590 1 649 . 1 1 54 54 LYS N N 15 126.378 0.3 . 1 . . . . 54 LYS N . 25590 1 650 . 1 1 55 55 LYS H H 1 9.274 0.020 . 1 . . . . 55 LYS H . 25590 1 651 . 1 1 55 55 LYS HA H 1 5.068 0.020 . 1 . . . . 55 LYS HA . 25590 1 652 . 1 1 55 55 LYS HB2 H 1 2.001 0.020 . 2 . . . . 55 LYS HB2 . 25590 1 653 . 1 1 55 55 LYS HB3 H 1 1.830 0.020 . 2 . . . . 55 LYS HB3 . 25590 1 654 . 1 1 55 55 LYS HG2 H 1 1.364 0.020 . 2 . . . . 55 LYS HG2 . 25590 1 655 . 1 1 55 55 LYS HG3 H 1 1.280 0.020 . 2 . . . . 55 LYS HG3 . 25590 1 656 . 1 1 55 55 LYS HD2 H 1 1.629 0.020 . 2 . . . . 55 LYS HD2 . 25590 1 657 . 1 1 55 55 LYS HD3 H 1 1.543 0.020 . 2 . . . . 55 LYS HD3 . 25590 1 658 . 1 1 55 55 LYS HE2 H 1 2.975 0.020 . 2 . . . . 55 LYS HE2 . 25590 1 659 . 1 1 55 55 LYS HE3 H 1 2.808 0.020 . 2 . . . . 55 LYS HE3 . 25590 1 660 . 1 1 55 55 LYS C C 13 175.446 0.3 . 1 . . . . 55 LYS C . 25590 1 661 . 1 1 55 55 LYS CA C 13 55.190 0.3 . 1 . . . . 55 LYS CA . 25590 1 662 . 1 1 55 55 LYS CB C 13 35.487 0.3 . 1 . . . . 55 LYS CB . 25590 1 663 . 1 1 55 55 LYS CG C 13 25.752 0.3 . 1 . . . . 55 LYS CG . 25590 1 664 . 1 1 55 55 LYS CD C 13 29.067 0.3 . 1 . . . . 55 LYS CD . 25590 1 665 . 1 1 55 55 LYS CE C 13 42.119 0.3 . 1 . . . . 55 LYS CE . 25590 1 666 . 1 1 55 55 LYS N N 15 121.625 0.3 . 1 . . . . 55 LYS N . 25590 1 667 . 1 1 56 56 ILE H H 1 9.462 0.020 . 1 . . . . 56 ILE H . 25590 1 668 . 1 1 56 56 ILE HA H 1 4.628 0.020 . 1 . . . . 56 ILE HA . 25590 1 669 . 1 1 56 56 ILE HB H 1 1.647 0.020 . 1 . . . . 56 ILE HB . 25590 1 670 . 1 1 56 56 ILE HG12 H 1 1.276 0.020 . 2 . . . . 56 ILE HG12 . 25590 1 671 . 1 1 56 56 ILE HG13 H 1 1.016 0.020 . 2 . . . . 56 ILE HG13 . 25590 1 672 . 1 1 56 56 ILE HG21 H 1 0.302 0.020 . 1 . . . . 56 ILE QG2 . 25590 1 673 . 1 1 56 56 ILE HG22 H 1 0.302 0.020 . 1 . . . . 56 ILE QG2 . 25590 1 674 . 1 1 56 56 ILE HG23 H 1 0.302 0.020 . 1 . . . . 56 ILE QG2 . 25590 1 675 . 1 1 56 56 ILE HD11 H 1 0.547 0.020 . 1 . . . . 56 ILE QD1 . 25590 1 676 . 1 1 56 56 ILE HD12 H 1 0.547 0.020 . 1 . . . . 56 ILE QD1 . 25590 1 677 . 1 1 56 56 ILE HD13 H 1 0.547 0.020 . 1 . . . . 56 ILE QD1 . 25590 1 678 . 1 1 56 56 ILE C C 13 174.909 0.3 . 1 . . . . 56 ILE C . 25590 1 679 . 1 1 56 56 ILE CA C 13 60.236 0.3 . 1 . . . . 56 ILE CA . 25590 1 680 . 1 1 56 56 ILE CB C 13 39.336 0.3 . 1 . . . . 56 ILE CB . 25590 1 681 . 1 1 56 56 ILE CG1 C 13 27.041 0.3 . 1 . . . . 56 ILE CG1 . 25590 1 682 . 1 1 56 56 ILE CG2 C 13 17.802 0.3 . 1 . . . . 56 ILE CG2 . 25590 1 683 . 1 1 56 56 ILE CD1 C 13 12.780 0.3 . 1 . . . . 56 ILE CD1 . 25590 1 684 . 1 1 56 56 ILE N N 15 132.984 0.3 . 1 . . . . 56 ILE N . 25590 1 685 . 1 1 57 57 THR H H 1 8.580 0.020 . 1 . . . . 57 THR H . 25590 1 686 . 1 1 57 57 THR HA H 1 4.778 0.020 . 1 . . . . 57 THR HA . 25590 1 687 . 1 1 57 57 THR HB H 1 4.116 0.020 . 1 . . . . 57 THR HB . 25590 1 688 . 1 1 57 57 THR HG21 H 1 1.395 0.020 . 1 . . . . 57 THR QG2 . 25590 1 689 . 1 1 57 57 THR HG22 H 1 1.395 0.020 . 1 . . . . 57 THR QG2 . 25590 1 690 . 1 1 57 57 THR HG23 H 1 1.395 0.020 . 1 . . . . 57 THR QG2 . 25590 1 691 . 1 1 57 57 THR C C 13 174.639 0.3 . 1 . . . . 57 THR C . 25590 1 692 . 1 1 57 57 THR CA C 13 61.896 0.3 . 1 . . . . 57 THR CA . 25590 1 693 . 1 1 57 57 THR CB C 13 69.391 0.3 . 1 . . . . 57 THR CB . 25590 1 694 . 1 1 57 57 THR CG2 C 13 21.178 0.3 . 1 . . . . 57 THR CG2 . 25590 1 695 . 1 1 57 57 THR N N 15 122.249 0.3 . 1 . . . . 57 THR N . 25590 1 696 . 1 1 58 58 PHE H H 1 8.427 0.020 . 1 . . . . 58 PHE H . 25590 1 697 . 1 1 58 58 PHE HA H 1 4.944 0.020 . 1 . . . . 58 PHE HA . 25590 1 698 . 1 1 58 58 PHE HB2 H 1 3.513 0.020 . 2 . . . . 58 PHE HB2 . 25590 1 699 . 1 1 58 58 PHE HB3 H 1 3.089 0.020 . 2 . . . . 58 PHE HB3 . 25590 1 700 . 1 1 58 58 PHE HD1 H 1 7.260 0.020 . 1 . . . . 58 PHE HD1 . 25590 1 701 . 1 1 58 58 PHE HD2 H 1 7.260 0.020 . 1 . . . . 58 PHE HD2 . 25590 1 702 . 1 1 58 58 PHE HE1 H 1 7.312 0.020 . 1 . . . . 58 PHE HE1 . 25590 1 703 . 1 1 58 58 PHE HE2 H 1 7.312 0.020 . 1 . . . . 58 PHE HE2 . 25590 1 704 . 1 1 58 58 PHE HZ H 1 7.016 0.020 . 1 . . . . 58 PHE HZ . 25590 1 705 . 1 1 58 58 PHE C C 13 175.921 0.3 . 1 . . . . 58 PHE C . 25590 1 706 . 1 1 58 58 PHE CA C 13 58.844 0.3 . 1 . . . . 58 PHE CA . 25590 1 707 . 1 1 58 58 PHE CB C 13 40.088 0.3 . 1 . . . . 58 PHE CB . 25590 1 708 . 1 1 58 58 PHE CD1 C 13 131.63 0.3 . 1 . . . . 58 PHE CD1 . 25590 1 709 . 1 1 58 58 PHE CE1 C 13 131.54 0.3 . 1 . . . . 58 PHE CE1 . 25590 1 710 . 1 1 58 58 PHE CZ C 13 130.99 0.3 . 1 . . . . 58 PHE CZ . 25590 1 711 . 1 1 58 58 PHE N N 15 126.487 0.3 . 1 . . . . 58 PHE N . 25590 1 712 . 1 1 59 59 GLY H H 1 7.951 0.020 . 1 . . . . 59 GLY H . 25590 1 713 . 1 1 59 59 GLY HA2 H 1 4.250 0.020 . 2 . . . . 59 GLY HA2 . 25590 1 714 . 1 1 59 59 GLY HA3 H 1 3.741 0.020 . 2 . . . . 59 GLY HA3 . 25590 1 715 . 1 1 59 59 GLY C C 13 174.632 0.3 . 1 . . . . 59 GLY C . 25590 1 716 . 1 1 59 59 GLY CA C 13 44.030 0.3 . 1 . . . . 59 GLY CA . 25590 1 717 . 1 1 59 59 GLY N N 15 104.712 0.3 . 1 . . . . 59 GLY N . 25590 1 718 . 1 1 60 60 GLU H H 1 8.832 0.020 . 1 . . . . 60 GLU H . 25590 1 719 . 1 1 60 60 GLU HA H 1 4.172 0.020 . 1 . . . . 60 GLU HA . 25590 1 720 . 1 1 60 60 GLU HB2 H 1 2.144 0.020 . 2 . . . . 60 GLU HB2 . 25590 1 721 . 1 1 60 60 GLU HB3 H 1 2.020 0.020 . 2 . . . . 60 GLU HB3 . 25590 1 722 . 1 1 60 60 GLU HG2 H 1 2.443 0.020 . 2 . . . . 60 GLU HG2 . 25590 1 723 . 1 1 60 60 GLU HG3 H 1 2.295 0.020 . 2 . . . . 60 GLU HG3 . 25590 1 724 . 1 1 60 60 GLU C C 13 177.532 0.3 . 1 . . . . 60 GLU C . 25590 1 725 . 1 1 60 60 GLU CA C 13 58.602 0.3 . 1 . . . . 60 GLU CA . 25590 1 726 . 1 1 60 60 GLU CB C 13 29.507 0.3 . 1 . . . . 60 GLU CB . 25590 1 727 . 1 1 60 60 GLU CG C 13 36.357 0.3 . 1 . . . . 60 GLU CG . 25590 1 728 . 1 1 60 60 GLU N N 15 118.124 0.3 . 1 . . . . 60 GLU N . 25590 1 729 . 1 1 61 61 GLY H H 1 9.033 0.020 . 1 . . . . 61 GLY H . 25590 1 730 . 1 1 61 61 GLY HA2 H 1 4.703 0.020 . 2 . . . . 61 GLY HA2 . 25590 1 731 . 1 1 61 61 GLY HA3 H 1 4.033 0.020 . 2 . . . . 61 GLY HA3 . 25590 1 732 . 1 1 61 61 GLY C C 13 174.001 0.3 . 1 . . . . 61 GLY C . 25590 1 733 . 1 1 61 61 GLY CA C 13 45.036 0.3 . 1 . . . . 61 GLY CA . 25590 1 734 . 1 1 61 61 GLY N N 15 108.973 0.3 . 1 . . . . 61 GLY N . 25590 1 735 . 1 1 62 62 SER H H 1 7.527 0.020 . 1 . . . . 62 SER H . 25590 1 736 . 1 1 62 62 SER HA H 1 5.648 0.020 . 1 . . . . 62 SER HA . 25590 1 737 . 1 1 62 62 SER HB2 H 1 3.753 0.020 . 2 . . . . 62 SER HB2 . 25590 1 738 . 1 1 62 62 SER HB3 H 1 3.675 0.020 . 2 . . . . 62 SER HB3 . 25590 1 739 . 1 1 62 62 SER C C 13 174.986 0.3 . 1 . . . . 62 SER C . 25590 1 740 . 1 1 62 62 SER CA C 13 55.489 0.3 . 1 . . . . 62 SER CA . 25590 1 741 . 1 1 62 62 SER CB C 13 64.488 0.3 . 1 . . . . 62 SER CB . 25590 1 742 . 1 1 62 62 SER N N 15 114.554 0.3 . 1 . . . . 62 SER N . 25590 1 743 . 1 1 63 63 GLN H H 1 8.395 0.020 . 1 . . . . 63 GLN H . 25590 1 744 . 1 1 63 63 GLN HA H 1 4.767 0.020 . 1 . . . . 63 GLN HA . 25590 1 745 . 1 1 63 63 GLN HB2 H 1 2.048 0.020 . 2 . . . . 63 GLN HB2 . 25590 1 746 . 1 1 63 63 GLN HB3 H 1 1.972 0.020 . 2 . . . . 63 GLN HB3 . 25590 1 747 . 1 1 63 63 GLN HG2 H 1 2.368 0.020 . 2 . . . . 63 GLN HG2 . 25590 1 748 . 1 1 63 63 GLN HG3 H 1 2.215 0.020 . 2 . . . . 63 GLN HG3 . 25590 1 749 . 1 1 63 63 GLN HE21 H 1 7.550 0.020 . 1 . . . . 63 GLN HE21 . 25590 1 750 . 1 1 63 63 GLN HE22 H 1 6.934 0.020 . 1 . . . . 63 GLN HE22 . 25590 1 751 . 1 1 63 63 GLN C C 13 174.864 0.3 . 1 . . . . 63 GLN C . 25590 1 752 . 1 1 63 63 GLN CA C 13 55.153 0.3 . 1 . . . . 63 GLN CA . 25590 1 753 . 1 1 63 63 GLN CB C 13 29.249 0.3 . 1 . . . . 63 GLN CB . 25590 1 754 . 1 1 63 63 GLN CG C 13 34.637 0.3 . 1 . . . . 63 GLN CG . 25590 1 755 . 1 1 63 63 GLN N N 15 123.990 0.3 . 1 . . . . 63 GLN N . 25590 1 756 . 1 1 63 63 GLN NE2 N 15 111.300 0.3 . 1 . . . . 63 GLN NE2 . 25590 1 757 . 1 1 64 64 PHE H H 1 9.245 0.020 . 1 . . . . 64 PHE H . 25590 1 758 . 1 1 64 64 PHE HA H 1 5.194 0.020 . 1 . . . . 64 PHE HA . 25590 1 759 . 1 1 64 64 PHE HB2 H 1 3.091 0.020 . 2 . . . . 64 PHE HB2 . 25590 1 760 . 1 1 64 64 PHE HB3 H 1 3.053 0.020 . 2 . . . . 64 PHE HB3 . 25590 1 761 . 1 1 64 64 PHE HD1 H 1 7.180 0.020 . 1 . . . . 64 PHE HD1 . 25590 1 762 . 1 1 64 64 PHE HD2 H 1 7.180 0.020 . 1 . . . . 64 PHE HD2 . 25590 1 763 . 1 1 64 64 PHE C C 13 174.231 0.3 . 1 . . . . 64 PHE C . 25590 1 764 . 1 1 64 64 PHE CA C 13 55.335 0.3 . 1 . . . . 64 PHE CA . 25590 1 765 . 1 1 64 64 PHE CB C 13 39.941 0.3 . 1 . . . . 64 PHE CB . 25590 1 766 . 1 1 64 64 PHE CD1 C 13 133.204 0.3 . 1 . . . . 64 PHE CD1 . 25590 1 767 . 1 1 64 64 PHE N N 15 123.851 0.3 . 1 . . . . 64 PHE N . 25590 1 768 . 1 1 65 65 ASN H H 1 9.876 0.020 . 1 . . . . 65 ASN H . 25590 1 769 . 1 1 65 65 ASN HA H 1 5.193 0.020 . 1 . . . . 65 ASN HA . 25590 1 770 . 1 1 65 65 ASN HB2 H 1 3.096 0.020 . 2 . . . . 65 ASN HB2 . 25590 1 771 . 1 1 65 65 ASN HB3 H 1 3.044 0.020 . 2 . . . . 65 ASN HB3 . 25590 1 772 . 1 1 65 65 ASN HD21 H 1 7.867 0.020 . 1 . . . . 65 ASN HD21 . 25590 1 773 . 1 1 65 65 ASN HD22 H 1 6.906 0.020 . 1 . . . . 65 ASN HD22 . 25590 1 774 . 1 1 65 65 ASN C C 13 175.753 0.3 . 1 . . . . 65 ASN C . 25590 1 775 . 1 1 65 65 ASN CA C 13 55.714 0.3 . 1 . . . . 65 ASN CA . 25590 1 776 . 1 1 65 65 ASN CB C 13 40.494 0.3 . 1 . . . . 65 ASN CB . 25590 1 777 . 1 1 65 65 ASN N N 15 118.293 0.3 . 1 . . . . 65 ASN N . 25590 1 778 . 1 1 65 65 ASN ND2 N 15 112.796 0.3 . 1 . . . . 65 ASN ND2 . 25590 1 779 . 1 1 66 66 TYR H H 1 8.881 0.020 . 1 . . . . 66 TYR H . 25590 1 780 . 1 1 66 66 TYR HA H 1 5.805 0.020 . 1 . . . . 66 TYR HA . 25590 1 781 . 1 1 66 66 TYR HB2 H 1 3.176 0.020 . 2 . . . . 66 TYR HB2 . 25590 1 782 . 1 1 66 66 TYR HB3 H 1 3.061 0.020 . 2 . . . . 66 TYR HB3 . 25590 1 783 . 1 1 66 66 TYR HD1 H 1 6.958 0.020 . 1 . . . . 66 TYR HD1 . 25590 1 784 . 1 1 66 66 TYR HD2 H 1 6.958 0.020 . 1 . . . . 66 TYR HD2 . 25590 1 785 . 1 1 66 66 TYR C C 13 173.603 0.3 . 1 . . . . 66 TYR C . 25590 1 786 . 1 1 66 66 TYR CA C 13 57.093 0.3 . 1 . . . . 66 TYR CA . 25590 1 787 . 1 1 66 66 TYR CB C 13 40.893 0.3 . 1 . . . . 66 TYR CB . 25590 1 788 . 1 1 66 66 TYR CD1 C 13 130.894 0.3 . 1 . . . . 66 TYR CD1 . 25590 1 789 . 1 1 66 66 TYR N N 15 117.731 0.3 . 1 . . . . 66 TYR N . 25590 1 790 . 1 1 67 67 VAL H H 1 8.744 0.020 . 1 . . . . 67 VAL H . 25590 1 791 . 1 1 67 67 VAL HA H 1 4.902 0.020 . 1 . . . . 67 VAL HA . 25590 1 792 . 1 1 67 67 VAL HB H 1 2.252 0.020 . 1 . . . . 67 VAL HB . 25590 1 793 . 1 1 67 67 VAL HG11 H 1 1.006 0.020 . 2 . . . . 67 VAL QG1 . 25590 1 794 . 1 1 67 67 VAL HG12 H 1 1.006 0.020 . 2 . . . . 67 VAL QG1 . 25590 1 795 . 1 1 67 67 VAL HG13 H 1 1.006 0.020 . 2 . . . . 67 VAL QG1 . 25590 1 796 . 1 1 67 67 VAL HG21 H 1 0.919 0.020 . 2 . . . . 67 VAL QG2 . 25590 1 797 . 1 1 67 67 VAL HG22 H 1 0.919 0.020 . 2 . . . . 67 VAL QG2 . 25590 1 798 . 1 1 67 67 VAL HG23 H 1 0.919 0.020 . 2 . . . . 67 VAL QG2 . 25590 1 799 . 1 1 67 67 VAL C C 13 174.459 0.3 . 1 . . . . 67 VAL C . 25590 1 800 . 1 1 67 67 VAL CA C 13 60.313 0.3 . 1 . . . . 67 VAL CA . 25590 1 801 . 1 1 67 67 VAL CB C 13 36.601 0.3 . 1 . . . . 67 VAL CB . 25590 1 802 . 1 1 67 67 VAL CG1 C 13 22.102 0.3 . 1 . . . . 67 VAL CG1 . 25590 1 803 . 1 1 67 67 VAL CG2 C 13 20.474 0.3 . 1 . . . . 67 VAL CG2 . 25590 1 804 . 1 1 67 67 VAL N N 15 113.088 0.3 . 1 . . . . 67 VAL N . 25590 1 805 . 1 1 68 68 LYS H H 1 8.778 0.020 . 1 . . . . 68 LYS H . 25590 1 806 . 1 1 68 68 LYS HA H 1 5.649 0.020 . 1 . . . . 68 LYS HA . 25590 1 807 . 1 1 68 68 LYS HB2 H 1 1.732 0.020 . 2 . . . . 68 LYS HB2 . 25590 1 808 . 1 1 68 68 LYS HB3 H 1 1.655 0.020 . 2 . . . . 68 LYS HB3 . 25590 1 809 . 1 1 68 68 LYS HG2 H 1 1.304 0.020 . 2 . . . . 68 LYS HG2 . 25590 1 810 . 1 1 68 68 LYS HG3 H 1 1.239 0.020 . 2 . . . . 68 LYS HG3 . 25590 1 811 . 1 1 68 68 LYS HD2 H 1 1.643 0.020 . 2 . . . . 68 LYS HD2 . 25590 1 812 . 1 1 68 68 LYS HD3 H 1 1.575 0.020 . 2 . . . . 68 LYS HD3 . 25590 1 813 . 1 1 68 68 LYS HE2 H 1 2.990 0.020 . 2 . . . . 68 LYS HE2 . 25590 1 814 . 1 1 68 68 LYS HE3 H 1 2.925 0.020 . 2 . . . . 68 LYS HE3 . 25590 1 815 . 1 1 68 68 LYS C C 13 174.864 0.3 . 1 . . . . 68 LYS C . 25590 1 816 . 1 1 68 68 LYS CA C 13 55.459 0.3 . 1 . . . . 68 LYS CA . 25590 1 817 . 1 1 68 68 LYS CB C 13 35.562 0.3 . 1 . . . . 68 LYS CB . 25590 1 818 . 1 1 68 68 LYS CG C 13 25.129 0.3 . 1 . . . . 68 LYS CG . 25590 1 819 . 1 1 68 68 LYS CD C 13 29.281 0.3 . 1 . . . . 68 LYS CD . 25590 1 820 . 1 1 68 68 LYS CE C 13 41.958 0.3 . 1 . . . . 68 LYS CE . 25590 1 821 . 1 1 68 68 LYS N N 15 121.469 0.3 . 1 . . . . 68 LYS N . 25590 1 822 . 1 1 69 69 HIS H H 1 6.892 0.020 . 1 . . . . 69 HIS H . 25590 1 823 . 1 1 69 69 HIS HA H 1 3.984 0.020 . 1 . . . . 69 HIS HA . 25590 1 824 . 1 1 69 69 HIS HB2 H 1 3.359 0.020 . 2 . . . . 69 HIS HB2 . 25590 1 825 . 1 1 69 69 HIS HB3 H 1 3.100 0.020 . 2 . . . . 69 HIS HB3 . 25590 1 826 . 1 1 69 69 HIS HD2 H 1 6.854 0.020 . 1 . . . . 69 HIS HD2 . 25590 1 827 . 1 1 69 69 HIS HE1 H 1 7.306 0.020 . 1 . . . . 69 HIS HE1 . 25590 1 828 . 1 1 69 69 HIS C C 13 173.326 0.3 . 1 . . . . 69 HIS C . 25590 1 829 . 1 1 69 69 HIS CA C 13 60.964 0.3 . 1 . . . . 69 HIS CA . 25590 1 830 . 1 1 69 69 HIS CB C 13 34.911 0.3 . 1 . . . . 69 HIS CB . 25590 1 831 . 1 1 69 69 HIS CD2 C 13 121.644 0.3 . 1 . . . . 69 HIS CD2 . 25590 1 832 . 1 1 69 69 HIS CE1 C 13 131.417 0.3 . 1 . . . . 69 HIS CE1 . 25590 1 833 . 1 1 70 70 ARG H H 1 7.410 0.020 . 1 . . . . 70 ARG H . 25590 1 834 . 1 1 70 70 ARG HA H 1 4.675 0.020 . 1 . . . . 70 ARG HA . 25590 1 835 . 1 1 70 70 ARG HB2 H 1 1.624 0.020 . 2 . . . . 70 ARG HB2 . 25590 1 836 . 1 1 70 70 ARG HB3 H 1 1.552 0.020 . 2 . . . . 70 ARG HB3 . 25590 1 837 . 1 1 70 70 ARG HG2 H 1 1.760 0.020 . 1 . . . . 70 ARG HG2 . 25590 1 838 . 1 1 70 70 ARG HG3 H 1 1.760 0.020 . 1 . . . . 70 ARG HG3 . 25590 1 839 . 1 1 70 70 ARG HD2 H 1 3.220 0.020 . 1 . . . . 70 ARG HD2 . 25590 1 840 . 1 1 70 70 ARG HD3 H 1 3.220 0.020 . 1 . . . . 70 ARG HD3 . 25590 1 841 . 1 1 70 70 ARG HE H 1 6.780 0.020 . 1 . . . . 70 ARG HE . 25590 1 842 . 1 1 70 70 ARG HH11 H 1 6.815 0.020 . 1 . . . . 70 ARG HH11 . 25590 1 843 . 1 1 70 70 ARG HH12 H 1 6.83 0.020 . 1 . . . . 70 ARG HH12 . 25590 1 844 . 1 1 70 70 ARG HH21 H 1 6.890 0.020 . 1 . . . . 70 ARG HH21 . 25590 1 845 . 1 1 70 70 ARG HH22 H 1 6.90 0.020 . 1 . . . . 70 ARG HH22 . 25590 1 846 . 1 1 70 70 ARG C C 13 180.718 0.3 . 1 . . . . 70 ARG C . 25590 1 847 . 1 1 70 70 ARG CA C 13 59.087 0.3 . 1 . . . . 70 ARG CA . 25590 1 848 . 1 1 70 70 ARG CB C 13 31.495 0.3 . 1 . . . . 70 ARG CB . 25590 1 849 . 1 1 70 70 ARG CG C 13 26.549 0.3 . 1 . . . . 70 ARG CG . 25590 1 850 . 1 1 70 70 ARG CD C 13 43.555 0.3 . 1 . . . . 70 ARG CD . 25590 1 851 . 1 1 70 70 ARG N N 15 122.149 0.3 . 1 . . . . 70 ARG N . 25590 1 852 . 1 1 70 70 ARG NE N 15 86.462 0.3 . 1 . . . . 70 ARG NE . 25590 1 853 . 1 1 70 70 ARG NH1 N 15 87.82 0.3 . 1 . . . . 70 ARG NH1 . 25590 1 854 . 1 1 70 70 ARG NH2 N 15 87.83 0.3 . 1 . . . . 70 ARG NH2 . 25590 1 855 . 1 1 71 71 ILE HA H 1 3.801 0.020 . 1 . . . . 71 ILE HA . 25590 1 856 . 1 1 71 71 ILE HB H 1 1.891 0.020 . 1 . . . . 71 ILE HB . 25590 1 857 . 1 1 71 71 ILE HG12 H 1 1.196 0.020 . 2 . . . . 71 ILE HG12 . 25590 1 858 . 1 1 71 71 ILE HG13 H 1 1.144 0.020 . 2 . . . . 71 ILE HG13 . 25590 1 859 . 1 1 71 71 ILE HG21 H 1 0.783 0.020 . 1 . . . . 71 ILE QG2 . 25590 1 860 . 1 1 71 71 ILE HG22 H 1 0.783 0.020 . 1 . . . . 71 ILE QG2 . 25590 1 861 . 1 1 71 71 ILE HG23 H 1 0.783 0.020 . 1 . . . . 71 ILE QG2 . 25590 1 862 . 1 1 71 71 ILE HD11 H 1 0.893 0.020 . 1 . . . . 71 ILE QD1 . 25590 1 863 . 1 1 71 71 ILE HD12 H 1 0.893 0.020 . 1 . . . . 71 ILE QD1 . 25590 1 864 . 1 1 71 71 ILE HD13 H 1 0.893 0.020 . 1 . . . . 71 ILE QD1 . 25590 1 865 . 1 1 71 71 ILE C C 13 174.882 0.3 . 1 . . . . 71 ILE C . 25590 1 866 . 1 1 71 71 ILE CA C 13 62.954 0.3 . 1 . . . . 71 ILE CA . 25590 1 867 . 1 1 71 71 ILE CB C 13 38.080 0.3 . 1 . . . . 71 ILE CB . 25590 1 868 . 1 1 71 71 ILE CG1 C 13 26.694 0.3 . 1 . . . . 71 ILE CG1 . 25590 1 869 . 1 1 71 71 ILE CG2 C 13 17.163 0.3 . 1 . . . . 71 ILE CG2 . 25590 1 870 . 1 1 71 71 ILE CD1 C 13 13.312 0.3 . 1 . . . . 71 ILE CD1 . 25590 1 871 . 1 1 72 72 ASP H H 1 9.179 0.020 . 1 . . . . 72 ASP H . 25590 1 872 . 1 1 72 72 ASP HA H 1 3.827 0.020 . 1 . . . . 72 ASP HA . 25590 1 873 . 1 1 72 72 ASP HB2 H 1 2.794 0.020 . 1 . . . . 72 ASP HB2 . 25590 1 874 . 1 1 72 72 ASP HB3 H 1 2.794 0.020 . 1 . . . . 72 ASP HB3 . 25590 1 875 . 1 1 72 72 ASP C C 13 175.752 0.3 . 1 . . . . 72 ASP C . 25590 1 876 . 1 1 72 72 ASP CA C 13 55.583 0.3 . 1 . . . . 72 ASP CA . 25590 1 877 . 1 1 72 72 ASP CB C 13 42.246 0.3 . 1 . . . . 72 ASP CB . 25590 1 878 . 1 1 72 72 ASP N N 15 129.928 0.3 . 1 . . . . 72 ASP N . 25590 1 879 . 1 1 73 73 GLU H H 1 7.895 0.020 . 1 . . . . 73 GLU H . 25590 1 880 . 1 1 73 73 GLU HA H 1 4.512 0.020 . 1 . . . . 73 GLU HA . 25590 1 881 . 1 1 73 73 GLU HB2 H 1 1.988 0.020 . 2 . . . . 73 GLU HB2 . 25590 1 882 . 1 1 73 73 GLU HB3 H 1 1.846 0.020 . 2 . . . . 73 GLU HB3 . 25590 1 883 . 1 1 73 73 GLU HG2 H 1 2.182 0.020 . 2 . . . . 73 GLU HG2 . 25590 1 884 . 1 1 73 73 GLU HG3 H 1 2.069 0.020 . 2 . . . . 73 GLU HG3 . 25590 1 885 . 1 1 73 73 GLU C C 13 173.937 0.3 . 1 . . . . 73 GLU C . 25590 1 886 . 1 1 73 73 GLU CA C 13 56.171 0.3 . 1 . . . . 73 GLU CA . 25590 1 887 . 1 1 73 73 GLU CB C 13 33.469 0.3 . 1 . . . . 73 GLU CB . 25590 1 888 . 1 1 73 73 GLU CG C 13 36.028 0.3 . 1 . . . . 73 GLU CG . 25590 1 889 . 1 1 73 73 GLU N N 15 117.927 0.3 . 1 . . . . 73 GLU N . 25590 1 890 . 1 1 74 74 ILE H H 1 8.643 0.020 . 1 . . . . 74 ILE H . 25590 1 891 . 1 1 74 74 ILE HB H 1 1.998 0.020 . 1 . . . . 74 ILE HB . 25590 1 892 . 1 1 74 74 ILE HG12 H 1 1.643 0.020 . 2 . . . . 74 ILE HG12 . 25590 1 893 . 1 1 74 74 ILE HG13 H 1 1.345 0.020 . 2 . . . . 74 ILE HG13 . 25590 1 894 . 1 1 74 74 ILE HG21 H 1 1.160 0.020 . 1 . . . . 74 ILE QG2 . 25590 1 895 . 1 1 74 74 ILE HG22 H 1 1.160 0.020 . 1 . . . . 74 ILE QG2 . 25590 1 896 . 1 1 74 74 ILE HG23 H 1 1.160 0.020 . 1 . . . . 74 ILE QG2 . 25590 1 897 . 1 1 74 74 ILE HD11 H 1 0.836 0.020 . 1 . . . . 74 ILE QD1 . 25590 1 898 . 1 1 74 74 ILE HD12 H 1 0.836 0.020 . 1 . . . . 74 ILE QD1 . 25590 1 899 . 1 1 74 74 ILE HD13 H 1 0.836 0.020 . 1 . . . . 74 ILE QD1 . 25590 1 900 . 1 1 74 74 ILE C C 13 173.733 0.3 . 1 . . . . 74 ILE C . 25590 1 901 . 1 1 74 74 ILE CA C 13 62.077 0.3 . 1 . . . . 74 ILE CA . 25590 1 902 . 1 1 74 74 ILE CB C 13 41.046 0.3 . 1 . . . . 74 ILE CB . 25590 1 903 . 1 1 74 74 ILE CG1 C 13 28.945 0.3 . 1 . . . . 74 ILE CG1 . 25590 1 904 . 1 1 74 74 ILE CG2 C 13 17.237 0.3 . 1 . . . . 74 ILE CG2 . 25590 1 905 . 1 1 74 74 ILE CD1 C 13 13.717 0.3 . 1 . . . . 74 ILE CD1 . 25590 1 906 . 1 1 74 74 ILE N N 15 122.471 0.3 . 1 . . . . 74 ILE N . 25590 1 907 . 1 1 75 75 ASP H H 1 9.091 0.020 . 1 . . . . 75 ASP H . 25590 1 908 . 1 1 75 75 ASP HA H 1 5.039 0.020 . 1 . . . . 75 ASP HA . 25590 1 909 . 1 1 75 75 ASP HB2 H 1 3.150 0.020 . 2 . . . . 75 ASP HB2 . 25590 1 910 . 1 1 75 75 ASP HB3 H 1 2.498 0.020 . 2 . . . . 75 ASP HB3 . 25590 1 911 . 1 1 75 75 ASP C C 13 176.190 0.3 . 1 . . . . 75 ASP C . 25590 1 912 . 1 1 75 75 ASP CA C 13 52.228 0.3 . 1 . . . . 75 ASP CA . 25590 1 913 . 1 1 75 75 ASP CB C 13 42.055 0.3 . 1 . . . . 75 ASP CB . 25590 1 914 . 1 1 75 75 ASP N N 15 127.149 0.3 . 1 . . . . 75 ASP N . 25590 1 915 . 1 1 76 76 ASN H H 1 7.214 0.020 . 1 . . . . 76 ASN H . 25590 1 916 . 1 1 76 76 ASN HA H 1 4.133 0.020 . 1 . . . . 76 ASN HA . 25590 1 917 . 1 1 76 76 ASN HB2 H 1 2.800 0.020 . 1 . . . . 76 ASN HB2 . 25590 1 918 . 1 1 76 76 ASN HB3 H 1 2.800 0.020 . 1 . . . . 76 ASN HB3 . 25590 1 919 . 1 1 76 76 ASN HD21 H 1 6.740 0.020 . 1 . . . . 76 ASN HD21 . 25590 1 920 . 1 1 76 76 ASN HD22 H 1 7.459 0.020 . 1 . . . . 76 ASN HD22 . 25590 1 921 . 1 1 76 76 ASN C C 13 175.744 0.3 . 1 . . . . 76 ASN C . 25590 1 922 . 1 1 76 76 ASN CA C 13 55.065 0.3 . 1 . . . . 76 ASN CA . 25590 1 923 . 1 1 76 76 ASN CB C 13 38.745 0.3 . 1 . . . . 76 ASN CB . 25590 1 924 . 1 1 76 76 ASN N N 15 118.404 0.3 . 1 . . . . 76 ASN N . 25590 1 925 . 1 1 76 76 ASN ND2 N 15 110.047 0.3 . 1 . . . . 76 ASN ND2 . 25590 1 926 . 1 1 77 77 ALA H H 1 8.148 0.020 . 1 . . . . 77 ALA H . 25590 1 927 . 1 1 77 77 ALA HA H 1 3.936 0.020 . 1 . . . . 77 ALA HA . 25590 1 928 . 1 1 77 77 ALA HB1 H 1 1.321 0.020 . 1 . . . . 77 ALA HB . 25590 1 929 . 1 1 77 77 ALA HB2 H 1 1.321 0.020 . 1 . . . . 77 ALA HB . 25590 1 930 . 1 1 77 77 ALA HB3 H 1 1.321 0.020 . 1 . . . . 77 ALA HB . 25590 1 931 . 1 1 77 77 ALA C C 13 177.796 0.3 . 1 . . . . 77 ALA C . 25590 1 932 . 1 1 77 77 ALA CA C 13 53.774 0.3 . 1 . . . . 77 ALA CA . 25590 1 933 . 1 1 77 77 ALA CB C 13 18.697 0.3 . 1 . . . . 77 ALA CB . 25590 1 934 . 1 1 77 77 ALA N N 15 120.567 0.3 . 1 . . . . 77 ALA N . 25590 1 935 . 1 1 78 78 ASN H H 1 7.260 0.020 . 1 . . . . 78 ASN H . 25590 1 936 . 1 1 78 78 ASN HA H 1 4.551 0.020 . 1 . . . . 78 ASN HA . 25590 1 937 . 1 1 78 78 ASN HB2 H 1 2.734 0.020 . 2 . . . . 78 ASN HB2 . 25590 1 938 . 1 1 78 78 ASN HB3 H 1 2.299 0.020 . 2 . . . . 78 ASN HB3 . 25590 1 939 . 1 1 78 78 ASN HD21 H 1 8.515 0.020 . 1 . . . . 78 ASN HD21 . 25590 1 940 . 1 1 78 78 ASN HD22 H 1 6.809 0.020 . 1 . . . . 78 ASN HD22 . 25590 1 941 . 1 1 78 78 ASN C C 13 173.794 0.3 . 1 . . . . 78 ASN C . 25590 1 942 . 1 1 78 78 ASN CA C 13 51.851 0.3 . 1 . . . . 78 ASN CA . 25590 1 943 . 1 1 78 78 ASN CB C 13 39.339 0.3 . 1 . . . . 78 ASN CB . 25590 1 944 . 1 1 78 78 ASN N N 15 112.041 0.3 . 1 . . . . 78 ASN N . 25590 1 945 . 1 1 78 78 ASN ND2 N 15 116.944 0.3 . 1 . . . . 78 ASN ND2 . 25590 1 946 . 1 1 79 79 PHE H H 1 7.033 0.020 . 1 . . . . 79 PHE H . 25590 1 947 . 1 1 79 79 PHE HA H 1 3.122 0.020 . 1 . . . . 79 PHE HA . 25590 1 948 . 1 1 79 79 PHE HB2 H 1 3.618 0.020 . 2 . . . . 79 PHE HB2 . 25590 1 949 . 1 1 79 79 PHE HB3 H 1 2.780 0.020 . 2 . . . . 79 PHE HB3 . 25590 1 950 . 1 1 79 79 PHE HD1 H 1 6.895 0.020 . 1 . . . . 79 PHE HD1 . 25590 1 951 . 1 1 79 79 PHE HD2 H 1 6.895 0.020 . 1 . . . . 79 PHE HD2 . 25590 1 952 . 1 1 79 79 PHE HE1 H 1 7.087 0.020 . 1 . . . . 79 PHE HE1 . 25590 1 953 . 1 1 79 79 PHE HE2 H 1 7.087 0.020 . 1 . . . . 79 PHE HE2 . 25590 1 954 . 1 1 79 79 PHE C C 13 173.611 0.3 . 1 . . . . 79 PHE C . 25590 1 955 . 1 1 79 79 PHE CA C 13 57.107 0.3 . 1 . . . . 79 PHE CA . 25590 1 956 . 1 1 79 79 PHE CB C 13 36.987 0.3 . 1 . . . . 79 PHE CB . 25590 1 957 . 1 1 79 79 PHE CD1 C 13 131.71 0.3 . 1 . . . . 79 PHE CD1 . 25590 1 958 . 1 1 79 79 PHE CE1 C 13 131.87 0.3 . 1 . . . . 79 PHE CE1 . 25590 1 959 . 1 1 79 79 PHE N N 15 118.014 0.3 . 1 . . . . 79 PHE N . 25590 1 960 . 1 1 80 80 THR H H 1 8.040 0.020 . 1 . . . . 80 THR H . 25590 1 961 . 1 1 80 80 THR HA H 1 5.618 0.020 . 1 . . . . 80 THR HA . 25590 1 962 . 1 1 80 80 THR HB H 1 4.103 0.020 . 1 . . . . 80 THR HB . 25590 1 963 . 1 1 80 80 THR HG21 H 1 1.177 0.020 . 1 . . . . 80 THR QG2 . 25590 1 964 . 1 1 80 80 THR HG22 H 1 1.177 0.020 . 1 . . . . 80 THR QG2 . 25590 1 965 . 1 1 80 80 THR HG23 H 1 1.177 0.020 . 1 . . . . 80 THR QG2 . 25590 1 966 . 1 1 80 80 THR C C 13 172.512 0.3 . 1 . . . . 80 THR C . 25590 1 967 . 1 1 80 80 THR CA C 13 61.116 0.3 . 1 . . . . 80 THR CA . 25590 1 968 . 1 1 80 80 THR CB C 13 71.724 0.3 . 1 . . . . 80 THR CB . 25590 1 969 . 1 1 80 80 THR CG2 C 13 21.682 0.3 . 1 . . . . 80 THR CG2 . 25590 1 970 . 1 1 80 80 THR N N 15 110.433 0.3 . 1 . . . . 80 THR N . 25590 1 971 . 1 1 81 81 TYR H H 1 9.196 0.020 . 1 . . . . 81 TYR H . 25590 1 972 . 1 1 81 81 TYR HA H 1 5.301 0.020 . 1 . . . . 81 TYR HA . 25590 1 973 . 1 1 81 81 TYR HB2 H 1 3.040 0.020 . 2 . . . . 81 TYR HB2 . 25590 1 974 . 1 1 81 81 TYR HB3 H 1 2.814 0.020 . 2 . . . . 81 TYR HB3 . 25590 1 975 . 1 1 81 81 TYR HD1 H 1 7.012 0.020 . 1 . . . . 81 TYR HD1 . 25590 1 976 . 1 1 81 81 TYR HD2 H 1 7.012 0.020 . 1 . . . . 81 TYR HD2 . 25590 1 977 . 1 1 81 81 TYR HE1 H 1 7.159 0.020 . 1 . . . . 81 TYR HE1 . 25590 1 978 . 1 1 81 81 TYR HE2 H 1 7.159 0.020 . 1 . . . . 81 TYR HE2 . 25590 1 979 . 1 1 81 81 TYR C C 13 172.216 0.3 . 1 . . . . 81 TYR C . 25590 1 980 . 1 1 81 81 TYR CA C 13 56.197 0.3 . 1 . . . . 81 TYR CA . 25590 1 981 . 1 1 81 81 TYR CB C 13 42.982 0.3 . 1 . . . . 81 TYR CB . 25590 1 982 . 1 1 81 81 TYR CD1 C 13 131.348 0.3 . 1 . . . . 81 TYR CD1 . 25590 1 983 . 1 1 81 81 TYR CE1 C 13 120.93 0.3 . 1 . . . . 81 TYR CE1 . 25590 1 984 . 1 1 81 81 TYR N N 15 126.559 0.3 . 1 . . . . 81 TYR N . 25590 1 985 . 1 1 82 82 ALA H H 1 8.648 0.020 . 1 . . . . 82 ALA H . 25590 1 986 . 1 1 82 82 ALA HA H 1 5.485 0.020 . 1 . . . . 82 ALA HA . 25590 1 987 . 1 1 82 82 ALA HB1 H 1 1.533 0.020 . 1 . . . . 82 ALA HB . 25590 1 988 . 1 1 82 82 ALA HB2 H 1 1.533 0.020 . 1 . . . . 82 ALA HB . 25590 1 989 . 1 1 82 82 ALA HB3 H 1 1.533 0.020 . 1 . . . . 82 ALA HB . 25590 1 990 . 1 1 82 82 ALA C C 13 175.927 0.3 . 1 . . . . 82 ALA C . 25590 1 991 . 1 1 82 82 ALA CA C 13 50.652 0.3 . 1 . . . . 82 ALA CA . 25590 1 992 . 1 1 82 82 ALA CB C 13 22.638 0.3 . 1 . . . . 82 ALA CB . 25590 1 993 . 1 1 82 82 ALA N N 15 129.469 0.3 . 1 . . . . 82 ALA N . 25590 1 994 . 1 1 83 83 CYS H H 1 9.103 0.020 . 1 . . . . 83 CYS H . 25590 1 995 . 1 1 83 83 CYS HA H 1 5.331 0.020 . 1 . . . . 83 CYS HA . 25590 1 996 . 1 1 83 83 CYS HB2 H 1 2.796 0.020 . 2 . . . . 83 CYS HB2 . 25590 1 997 . 1 1 83 83 CYS HB3 H 1 2.545 0.020 . 2 . . . . 83 CYS HB3 . 25590 1 998 . 1 1 83 83 CYS C C 13 172.112 0.3 . 1 . . . . 83 CYS C . 25590 1 999 . 1 1 83 83 CYS CA C 13 56.064 0.3 . 1 . . . . 83 CYS CA . 25590 1 1000 . 1 1 83 83 CYS CB C 13 38.826 0.3 . 1 . . . . 83 CYS CB . 25590 1 1001 . 1 1 83 83 CYS N N 15 118.251 0.3 . 1 . . . . 83 CYS N . 25590 1 1002 . 1 1 84 84 THR H H 1 8.931 0.020 . 1 . . . . 84 THR H . 25590 1 1003 . 1 1 84 84 THR HA H 1 5.109 0.020 . 1 . . . . 84 THR HA . 25590 1 1004 . 1 1 84 84 THR HB H 1 3.775 0.020 . 1 . . . . 84 THR HB . 25590 1 1005 . 1 1 84 84 THR HG21 H 1 0.975 0.020 . 1 . . . . 84 THR QG2 . 25590 1 1006 . 1 1 84 84 THR HG22 H 1 0.975 0.020 . 1 . . . . 84 THR QG2 . 25590 1 1007 . 1 1 84 84 THR HG23 H 1 0.975 0.020 . 1 . . . . 84 THR QG2 . 25590 1 1008 . 1 1 84 84 THR C C 13 173.349 0.3 . 1 . . . . 84 THR C . 25590 1 1009 . 1 1 84 84 THR CA C 13 62.086 0.3 . 1 . . . . 84 THR CA . 25590 1 1010 . 1 1 84 84 THR CB C 13 71.436 0.3 . 1 . . . . 84 THR CB . 25590 1 1011 . 1 1 84 84 THR CG2 C 13 22.485 0.3 . 1 . . . . 84 THR CG2 . 25590 1 1012 . 1 1 84 84 THR N N 15 115.890 0.3 . 1 . . . . 84 THR N . 25590 1 1013 . 1 1 85 85 LEU H H 1 9.798 0.020 . 1 . . . . 85 LEU H . 25590 1 1014 . 1 1 85 85 LEU HA H 1 4.991 0.020 . 1 . . . . 85 LEU HA . 25590 1 1015 . 1 1 85 85 LEU HB2 H 1 1.841 0.020 . 2 . . . . 85 LEU HB2 . 25590 1 1016 . 1 1 85 85 LEU HB3 H 1 1.483 0.020 . 2 . . . . 85 LEU HB3 . 25590 1 1017 . 1 1 85 85 LEU HG H 1 1.735 0.020 . 1 . . . . 85 LEU HG . 25590 1 1018 . 1 1 85 85 LEU HD11 H 1 0.818 0.020 . 2 . . . . 85 LEU QD1 . 25590 1 1019 . 1 1 85 85 LEU HD12 H 1 0.818 0.020 . 2 . . . . 85 LEU QD1 . 25590 1 1020 . 1 1 85 85 LEU HD13 H 1 0.818 0.020 . 2 . . . . 85 LEU QD1 . 25590 1 1021 . 1 1 85 85 LEU HD21 H 1 0.883 0.020 . 2 . . . . 85 LEU QD2 . 25590 1 1022 . 1 1 85 85 LEU HD22 H 1 0.883 0.020 . 2 . . . . 85 LEU QD2 . 25590 1 1023 . 1 1 85 85 LEU HD23 H 1 0.883 0.020 . 2 . . . . 85 LEU QD2 . 25590 1 1024 . 1 1 85 85 LEU C C 13 175.833 0.3 . 1 . . . . 85 LEU C . 25590 1 1025 . 1 1 85 85 LEU CA C 13 55.102 0.3 . 1 . . . . 85 LEU CA . 25590 1 1026 . 1 1 85 85 LEU CB C 13 41.514 0.3 . 1 . . . . 85 LEU CB . 25590 1 1027 . 1 1 85 85 LEU CG C 13 28.446 0.3 . 1 . . . . 85 LEU CG . 25590 1 1028 . 1 1 85 85 LEU CD1 C 13 25.297 0.3 . 1 . . . . 85 LEU CD1 . 25590 1 1029 . 1 1 85 85 LEU CD2 C 13 25.297 0.3 . 1 . . . . 85 LEU CD2 . 25590 1 1030 . 1 1 85 85 LEU N N 15 128.506 0.3 . 1 . . . . 85 LEU N . 25590 1 1031 . 1 1 86 86 ILE H H 1 8.063 0.020 . 1 . . . . 86 ILE H . 25590 1 1032 . 1 1 86 86 ILE HA H 1 4.586 0.020 . 1 . . . . 86 ILE HA . 25590 1 1033 . 1 1 86 86 ILE HB H 1 1.995 0.020 . 1 . . . . 86 ILE HB . 25590 1 1034 . 1 1 86 86 ILE HG12 H 1 1.343 0.020 . 2 . . . . 86 ILE HG12 . 25590 1 1035 . 1 1 86 86 ILE HG13 H 1 1.144 0.020 . 2 . . . . 86 ILE HG13 . 25590 1 1036 . 1 1 86 86 ILE HG21 H 1 0.889 0.020 . 1 . . . . 86 ILE QG2 . 25590 1 1037 . 1 1 86 86 ILE HG22 H 1 0.889 0.020 . 1 . . . . 86 ILE QG2 . 25590 1 1038 . 1 1 86 86 ILE HG23 H 1 0.889 0.020 . 1 . . . . 86 ILE QG2 . 25590 1 1039 . 1 1 86 86 ILE HD11 H 1 0.886 0.020 . 1 . . . . 86 ILE QD1 . 25590 1 1040 . 1 1 86 86 ILE HD12 H 1 0.886 0.020 . 1 . . . . 86 ILE QD1 . 25590 1 1041 . 1 1 86 86 ILE HD13 H 1 0.886 0.020 . 1 . . . . 86 ILE QD1 . 25590 1 1042 . 1 1 86 86 ILE C C 13 175.406 0.3 . 1 . . . . 86 ILE C . 25590 1 1043 . 1 1 86 86 ILE CA C 13 61.400 0.3 . 1 . . . . 86 ILE CA . 25590 1 1044 . 1 1 86 86 ILE CB C 13 40.482 0.3 . 1 . . . . 86 ILE CB . 25590 1 1045 . 1 1 86 86 ILE CG1 C 13 26.710 0.3 . 1 . . . . 86 ILE CG1 . 25590 1 1046 . 1 1 86 86 ILE CG2 C 13 17.371 0.3 . 1 . . . . 86 ILE CG2 . 25590 1 1047 . 1 1 86 86 ILE CD1 C 13 13.691 0.3 . 1 . . . . 86 ILE CD1 . 25590 1 1048 . 1 1 86 86 ILE N N 15 115.614 0.3 . 1 . . . . 86 ILE N . 25590 1 1049 . 1 1 87 87 GLU H H 1 7.699 0.020 . 1 . . . . 87 GLU H . 25590 1 1050 . 1 1 87 87 GLU HA H 1 4.585 0.020 . 1 . . . . 87 GLU HA . 25590 1 1051 . 1 1 87 87 GLU HB2 H 1 2.036 0.020 . 2 . . . . 87 GLU HB2 . 25590 1 1052 . 1 1 87 87 GLU HB3 H 1 1.985 0.020 . 2 . . . . 87 GLU HB3 . 25590 1 1053 . 1 1 87 87 GLU HG2 H 1 2.239 0.020 . 2 . . . . 87 GLU HG2 . 25590 1 1054 . 1 1 87 87 GLU HG3 H 1 2.172 0.020 . 2 . . . . 87 GLU HG3 . 25590 1 1055 . 1 1 87 87 GLU C C 13 174.005 0.3 . 1 . . . . 87 GLU C . 25590 1 1056 . 1 1 87 87 GLU CA C 13 56.238 0.3 . 1 . . . . 87 GLU CA . 25590 1 1057 . 1 1 87 87 GLU CB C 13 33.562 0.3 . 1 . . . . 87 GLU CB . 25590 1 1058 . 1 1 87 87 GLU CG C 13 36.282 0.3 . 1 . . . . 87 GLU CG . 25590 1 1059 . 1 1 87 87 GLU N N 15 118.912 0.3 . 1 . . . . 87 GLU N . 25590 1 1060 . 1 1 88 88 GLY H H 1 8.536 0.020 . 1 . . . . 88 GLY H . 25590 1 1061 . 1 1 88 88 GLY HA2 H 1 4.268 0.020 . 2 . . . . 88 GLY HA2 . 25590 1 1062 . 1 1 88 88 GLY HA3 H 1 3.445 0.020 . 2 . . . . 88 GLY HA3 . 25590 1 1063 . 1 1 88 88 GLY C C 13 173.507 0.3 . 1 . . . . 88 GLY C . 25590 1 1064 . 1 1 88 88 GLY CA C 13 45.392 0.3 . 1 . . . . 88 GLY CA . 25590 1 1065 . 1 1 88 88 GLY N N 15 110.648 0.3 . 1 . . . . 88 GLY N . 25590 1 1066 . 1 1 89 89 ASP H H 1 8.255 0.020 . 1 . . . . 89 ASP H . 25590 1 1067 . 1 1 89 89 ASP HA H 1 4.471 0.020 . 1 . . . . 89 ASP HA . 25590 1 1068 . 1 1 89 89 ASP HB2 H 1 2.827 0.020 . 2 . . . . 89 ASP HB2 . 25590 1 1069 . 1 1 89 89 ASP HB3 H 1 2.716 0.020 . 2 . . . . 89 ASP HB3 . 25590 1 1070 . 1 1 89 89 ASP C C 13 176.682 0.3 . 1 . . . . 89 ASP C . 25590 1 1071 . 1 1 89 89 ASP CA C 13 56.171 0.3 . 1 . . . . 89 ASP CA . 25590 1 1072 . 1 1 89 89 ASP CB C 13 40.402 0.3 . 1 . . . . 89 ASP CB . 25590 1 1073 . 1 1 89 89 ASP N N 15 119.135 0.3 . 1 . . . . 89 ASP N . 25590 1 1074 . 1 1 90 90 ALA H H 1 7.618 0.020 . 1 . . . . 90 ALA H . 25590 1 1075 . 1 1 90 90 ALA HA H 1 3.981 0.020 . 1 . . . . 90 ALA HA . 25590 1 1076 . 1 1 90 90 ALA HB1 H 1 1.063 0.020 . 1 . . . . 90 ALA HB . 25590 1 1077 . 1 1 90 90 ALA HB2 H 1 1.063 0.020 . 1 . . . . 90 ALA HB . 25590 1 1078 . 1 1 90 90 ALA HB3 H 1 1.063 0.020 . 1 . . . . 90 ALA HB . 25590 1 1079 . 1 1 90 90 ALA C C 13 176.855 0.3 . 1 . . . . 90 ALA C . 25590 1 1080 . 1 1 90 90 ALA CA C 13 52.683 0.3 . 1 . . . . 90 ALA CA . 25590 1 1081 . 1 1 90 90 ALA CB C 13 19.079 0.3 . 1 . . . . 90 ALA CB . 25590 1 1082 . 1 1 90 90 ALA N N 15 118.615 0.3 . 1 . . . . 90 ALA N . 25590 1 1083 . 1 1 91 91 ILE H H 1 7.363 0.020 . 1 . . . . 91 ILE H . 25590 1 1084 . 1 1 91 91 ILE HA H 1 4.599 0.020 . 1 . . . . 91 ILE HA . 25590 1 1085 . 1 1 91 91 ILE HB H 1 1.986 0.020 . 1 . . . . 91 ILE HB . 25590 1 1086 . 1 1 91 91 ILE HG12 H 1 1.333 0.020 . 2 . . . . 91 ILE HG12 . 25590 1 1087 . 1 1 91 91 ILE HG13 H 1 1.202 0.020 . 2 . . . . 91 ILE HG13 . 25590 1 1088 . 1 1 91 91 ILE HG21 H 1 0.803 0.020 . 1 . . . . 91 ILE QG2 . 25590 1 1089 . 1 1 91 91 ILE HG22 H 1 0.803 0.020 . 1 . . . . 91 ILE QG2 . 25590 1 1090 . 1 1 91 91 ILE HG23 H 1 0.803 0.020 . 1 . . . . 91 ILE QG2 . 25590 1 1091 . 1 1 91 91 ILE HD11 H 1 0.869 0.020 . 1 . . . . 91 ILE QD1 . 25590 1 1092 . 1 1 91 91 ILE HD12 H 1 0.869 0.020 . 1 . . . . 91 ILE QD1 . 25590 1 1093 . 1 1 91 91 ILE HD13 H 1 0.869 0.020 . 1 . . . . 91 ILE QD1 . 25590 1 1094 . 1 1 91 91 ILE C C 13 175.497 0.3 . 1 . . . . 91 ILE C . 25590 1 1095 . 1 1 91 91 ILE CA C 13 60.847 0.3 . 1 . . . . 91 ILE CA . 25590 1 1096 . 1 1 91 91 ILE CB C 13 37.284 0.3 . 1 . . . . 91 ILE CB . 25590 1 1097 . 1 1 91 91 ILE CG1 C 13 28.330 0.3 . 1 . . . . 91 ILE CG1 . 25590 1 1098 . 1 1 91 91 ILE CG2 C 13 17.558 0.3 . 1 . . . . 91 ILE CG2 . 25590 1 1099 . 1 1 91 91 ILE CD1 C 13 13.394 0.3 . 1 . . . . 91 ILE CD1 . 25590 1 1100 . 1 1 91 91 ILE N N 15 116.396 0.3 . 1 . . . . 91 ILE N . 25590 1 1101 . 1 1 92 92 SER H H 1 7.892 0.020 . 1 . . . . 92 SER H . 25590 1 1102 . 1 1 92 92 SER HA H 1 4.550 0.020 . 1 . . . . 92 SER HA . 25590 1 1103 . 1 1 92 92 SER HB2 H 1 4.121 0.020 . 2 . . . . 92 SER HB2 . 25590 1 1104 . 1 1 92 92 SER HB3 H 1 3.848 0.020 . 2 . . . . 92 SER HB3 . 25590 1 1105 . 1 1 92 92 SER C C 13 174.773 0.3 . 1 . . . . 92 SER C . 25590 1 1106 . 1 1 92 92 SER CA C 13 58.494 0.3 . 1 . . . . 92 SER CA . 25590 1 1107 . 1 1 92 92 SER CB C 13 67.631 0.3 . 1 . . . . 92 SER CB . 25590 1 1108 . 1 1 92 92 SER N N 15 118.781 0.3 . 1 . . . . 92 SER N . 25590 1 1109 . 1 1 93 93 GLU HA H 1 4.232 0.020 . 1 . . . . 93 GLU HA . 25590 1 1110 . 1 1 93 93 GLU HB2 H 1 2.062 0.020 . 2 . . . . 93 GLU HB2 . 25590 1 1111 . 1 1 93 93 GLU HB3 H 1 2.009 0.020 . 2 . . . . 93 GLU HB3 . 25590 1 1112 . 1 1 93 93 GLU HG2 H 1 2.387 0.020 . 2 . . . . 93 GLU HG2 . 25590 1 1113 . 1 1 93 93 GLU HG3 H 1 2.282 0.020 . 2 . . . . 93 GLU HG3 . 25590 1 1114 . 1 1 93 93 GLU C C 13 176.928 0.3 . 1 . . . . 93 GLU C . 25590 1 1115 . 1 1 93 93 GLU CA C 13 58.754 0.3 . 1 . . . . 93 GLU CA . 25590 1 1116 . 1 1 93 93 GLU CB C 13 29.515 0.3 . 1 . . . . 93 GLU CB . 25590 1 1117 . 1 1 93 93 GLU CG C 13 36.282 0.3 . 1 . . . . 93 GLU CG . 25590 1 1118 . 1 1 94 94 THR H H 1 7.655 0.020 . 1 . . . . 94 THR H . 25590 1 1119 . 1 1 94 94 THR HA H 1 4.287 0.020 . 1 . . . . 94 THR HA . 25590 1 1120 . 1 1 94 94 THR HB H 1 4.117 0.020 . 1 . . . . 94 THR HB . 25590 1 1121 . 1 1 94 94 THR HG21 H 1 1.381 0.020 . 1 . . . . 94 THR QG2 . 25590 1 1122 . 1 1 94 94 THR HG22 H 1 1.381 0.020 . 1 . . . . 94 THR QG2 . 25590 1 1123 . 1 1 94 94 THR HG23 H 1 1.381 0.020 . 1 . . . . 94 THR QG2 . 25590 1 1124 . 1 1 94 94 THR CA C 13 62.314 0.3 . 1 . . . . 94 THR CA . 25590 1 1125 . 1 1 94 94 THR CB C 13 69.256 0.3 . 1 . . . . 94 THR CB . 25590 1 1126 . 1 1 94 94 THR CG2 C 13 18.879 0.3 . 1 . . . . 94 THR CG2 . 25590 1 1127 . 1 1 94 94 THR N N 15 106.848 0.3 . 1 . . . . 94 THR N . 25590 1 1128 . 1 1 95 95 LEU H H 1 7.792 0.020 . 1 . . . . 95 LEU H . 25590 1 1129 . 1 1 95 95 LEU HA H 1 4.805 0.020 . 1 . . . . 95 LEU HA . 25590 1 1130 . 1 1 95 95 LEU HB2 H 1 1.730 0.020 . 2 . . . . 95 LEU HB2 . 25590 1 1131 . 1 1 95 95 LEU HB3 H 1 1.482 0.020 . 2 . . . . 95 LEU HB3 . 25590 1 1132 . 1 1 95 95 LEU HG H 1 1.654 0.020 . 1 . . . . 95 LEU HG . 25590 1 1133 . 1 1 95 95 LEU HD11 H 1 0.959 0.020 . 2 . . . . 95 LEU QD1 . 25590 1 1134 . 1 1 95 95 LEU HD12 H 1 0.959 0.020 . 2 . . . . 95 LEU QD1 . 25590 1 1135 . 1 1 95 95 LEU HD13 H 1 0.959 0.020 . 2 . . . . 95 LEU QD1 . 25590 1 1136 . 1 1 95 95 LEU HD21 H 1 0.981 0.020 . 2 . . . . 95 LEU QD2 . 25590 1 1137 . 1 1 95 95 LEU HD22 H 1 0.981 0.020 . 2 . . . . 95 LEU QD2 . 25590 1 1138 . 1 1 95 95 LEU HD23 H 1 0.981 0.020 . 2 . . . . 95 LEU QD2 . 25590 1 1139 . 1 1 95 95 LEU C C 13 174.896 0.3 . 1 . . . . 95 LEU C . 25590 1 1140 . 1 1 95 95 LEU CA C 13 53.884 0.3 . 1 . . . . 95 LEU CA . 25590 1 1141 . 1 1 95 95 LEU CB C 13 43.885 0.3 . 1 . . . . 95 LEU CB . 25590 1 1142 . 1 1 95 95 LEU CG C 13 29.145 0.3 . 1 . . . . 95 LEU CG . 25590 1 1143 . 1 1 95 95 LEU CD1 C 13 25.606 0.3 . 1 . . . . 95 LEU CD1 . 25590 1 1144 . 1 1 95 95 LEU CD2 C 13 25.346 0.3 . 1 . . . . 95 LEU CD2 . 25590 1 1145 . 1 1 95 95 LEU N N 15 122.787 0.3 . 1 . . . . 95 LEU N . 25590 1 1146 . 1 1 96 96 GLU H H 1 9.146 0.020 . 1 . . . . 96 GLU H . 25590 1 1147 . 1 1 96 96 GLU HA H 1 4.281 0.020 . 1 . . . . 96 GLU HA . 25590 1 1148 . 1 1 96 96 GLU HB2 H 1 1.947 0.020 . 2 . . . . 96 GLU HB2 . 25590 1 1149 . 1 1 96 96 GLU HB3 H 1 1.890 0.020 . 2 . . . . 96 GLU HB3 . 25590 1 1150 . 1 1 96 96 GLU HG2 H 1 2.298 0.020 . 2 . . . . 96 GLU HG2 . 25590 1 1151 . 1 1 96 96 GLU HG3 H 1 2.189 0.020 . 2 . . . . 96 GLU HG3 . 25590 1 1152 . 1 1 96 96 GLU C C 13 176.251 0.3 . 1 . . . . 96 GLU C . 25590 1 1153 . 1 1 96 96 GLU CA C 13 57.846 0.3 . 1 . . . . 96 GLU CA . 25590 1 1154 . 1 1 96 96 GLU CB C 13 31.622 0.3 . 1 . . . . 96 GLU CB . 25590 1 1155 . 1 1 96 96 GLU CG C 13 36.198 0.3 . 1 . . . . 96 GLU CG . 25590 1 1156 . 1 1 96 96 GLU N N 15 121.329 0.3 . 1 . . . . 96 GLU N . 25590 1 1157 . 1 1 97 97 LYS H H 1 7.617 0.020 . 1 . . . . 97 LYS H . 25590 1 1158 . 1 1 97 97 LYS HA H 1 4.702 0.020 . 1 . . . . 97 LYS HA . 25590 1 1159 . 1 1 97 97 LYS HB2 H 1 1.989 0.020 . 2 . . . . 97 LYS HB2 . 25590 1 1160 . 1 1 97 97 LYS HB3 H 1 1.875 0.020 . 2 . . . . 97 LYS HB3 . 25590 1 1161 . 1 1 97 97 LYS HG2 H 1 1.413 0.020 . 2 . . . . 97 LYS HG2 . 25590 1 1162 . 1 1 97 97 LYS HG3 H 1 1.321 0.020 . 2 . . . . 97 LYS HG3 . 25590 1 1163 . 1 1 97 97 LYS HD2 H 1 1.624 0.020 . 2 . . . . 97 LYS HD2 . 25590 1 1164 . 1 1 97 97 LYS HD3 H 1 1.537 0.020 . 2 . . . . 97 LYS HD3 . 25590 1 1165 . 1 1 97 97 LYS HE2 H 1 2.971 0.020 . 2 . . . . 97 LYS HE2 . 25590 1 1166 . 1 1 97 97 LYS HE3 H 1 2.889 0.020 . 2 . . . . 97 LYS HE3 . 25590 1 1167 . 1 1 97 97 LYS C C 13 173.733 0.3 . 1 . . . . 97 LYS C . 25590 1 1168 . 1 1 97 97 LYS CA C 13 55.841 0.3 . 1 . . . . 97 LYS CA . 25590 1 1169 . 1 1 97 97 LYS CB C 13 33.768 0.3 . 1 . . . . 97 LYS CB . 25590 1 1170 . 1 1 97 97 LYS CG C 13 24.787 0.3 . 1 . . . . 97 LYS CG . 25590 1 1171 . 1 1 97 97 LYS CD C 13 29.055 0.3 . 1 . . . . 97 LYS CD . 25590 1 1172 . 1 1 97 97 LYS CE C 13 41.899 0.3 . 1 . . . . 97 LYS CE . 25590 1 1173 . 1 1 97 97 LYS N N 15 109.516 0.3 . 1 . . . . 97 LYS N . 25590 1 1174 . 1 1 98 98 ILE H H 1 7.662 0.020 . 1 . . . . 98 ILE H . 25590 1 1175 . 1 1 98 98 ILE HA H 1 4.890 0.020 . 1 . . . . 98 ILE HA . 25590 1 1176 . 1 1 98 98 ILE HB H 1 1.448 0.020 . 1 . . . . 98 ILE HB . 25590 1 1177 . 1 1 98 98 ILE HG12 H 1 1.197 0.020 . 2 . . . . 98 ILE HG12 . 25590 1 1178 . 1 1 98 98 ILE HG13 H 1 1.014 0.020 . 2 . . . . 98 ILE HG13 . 25590 1 1179 . 1 1 98 98 ILE HG21 H 1 0.153 0.020 . 1 . . . . 98 ILE QG2 . 25590 1 1180 . 1 1 98 98 ILE HG22 H 1 0.153 0.020 . 1 . . . . 98 ILE QG2 . 25590 1 1181 . 1 1 98 98 ILE HG23 H 1 0.153 0.020 . 1 . . . . 98 ILE QG2 . 25590 1 1182 . 1 1 98 98 ILE HD11 H 1 0.602 0.020 . 1 . . . . 98 ILE QD1 . 25590 1 1183 . 1 1 98 98 ILE HD12 H 1 0.602 0.020 . 1 . . . . 98 ILE QD1 . 25590 1 1184 . 1 1 98 98 ILE HD13 H 1 0.602 0.020 . 1 . . . . 98 ILE QD1 . 25590 1 1185 . 1 1 98 98 ILE C C 13 173.891 0.3 . 1 . . . . 98 ILE C . 25590 1 1186 . 1 1 98 98 ILE CA C 13 60.633 0.3 . 1 . . . . 98 ILE CA . 25590 1 1187 . 1 1 98 98 ILE CB C 13 42.173 0.3 . 1 . . . . 98 ILE CB . 25590 1 1188 . 1 1 98 98 ILE CG1 C 13 25.716 0.3 . 1 . . . . 98 ILE CG1 . 25590 1 1189 . 1 1 98 98 ILE CG2 C 13 15.988 0.3 . 1 . . . . 98 ILE CG2 . 25590 1 1190 . 1 1 98 98 ILE CD1 C 13 12.175 0.3 . 1 . . . . 98 ILE CD1 . 25590 1 1191 . 1 1 98 98 ILE N N 15 118.594 0.3 . 1 . . . . 98 ILE N . 25590 1 1192 . 1 1 99 99 ALA H H 1 9.333 0.020 . 1 . . . . 99 ALA H . 25590 1 1193 . 1 1 99 99 ALA HA H 1 5.247 0.020 . 1 . . . . 99 ALA HA . 25590 1 1194 . 1 1 99 99 ALA HB1 H 1 1.480 0.020 . 1 . . . . 99 ALA HB . 25590 1 1195 . 1 1 99 99 ALA HB2 H 1 1.480 0.020 . 1 . . . . 99 ALA HB . 25590 1 1196 . 1 1 99 99 ALA HB3 H 1 1.480 0.020 . 1 . . . . 99 ALA HB . 25590 1 1197 . 1 1 99 99 ALA C C 13 175.246 0.3 . 1 . . . . 99 ALA C . 25590 1 1198 . 1 1 99 99 ALA CA C 13 50.550 0.3 . 1 . . . . 99 ALA CA . 25590 1 1199 . 1 1 99 99 ALA CB C 13 22.061 0.3 . 1 . . . . 99 ALA CB . 25590 1 1200 . 1 1 99 99 ALA N N 15 130.492 0.3 . 1 . . . . 99 ALA N . 25590 1 1201 . 1 1 100 100 TYR H H 1 9.221 0.020 . 1 . . . . 100 TYR H . 25590 1 1202 . 1 1 100 100 TYR HA H 1 4.386 0.020 . 1 . . . . 100 TYR HA . 25590 1 1203 . 1 1 100 100 TYR HB2 H 1 2.720 0.020 . 2 . . . . 100 TYR HB2 . 25590 1 1204 . 1 1 100 100 TYR HB3 H 1 2.659 0.020 . 2 . . . . 100 TYR HB3 . 25590 1 1205 . 1 1 100 100 TYR HD1 H 1 6.953 0.020 . 1 . . . . 100 TYR HD1 . 25590 1 1206 . 1 1 100 100 TYR HD2 H 1 6.953 0.020 . 1 . . . . 100 TYR HD2 . 25590 1 1207 . 1 1 100 100 TYR HE1 H 1 6.855 0.020 . 1 . . . . 100 TYR HE1 . 25590 1 1208 . 1 1 100 100 TYR HE2 H 1 6.855 0.020 . 1 . . . . 100 TYR HE2 . 25590 1 1209 . 1 1 100 100 TYR C C 13 174.819 0.3 . 1 . . . . 100 TYR C . 25590 1 1210 . 1 1 100 100 TYR CA C 13 56.944 0.3 . 1 . . . . 100 TYR CA . 25590 1 1211 . 1 1 100 100 TYR CB C 13 42.875 0.3 . 1 . . . . 100 TYR CB . 25590 1 1212 . 1 1 100 100 TYR CD1 C 13 131.236 0.3 . 1 . . . . 100 TYR CD1 . 25590 1 1213 . 1 1 100 100 TYR CE1 C 13 121.286 0.3 . 1 . . . . 100 TYR CE1 . 25590 1 1214 . 1 1 100 100 TYR N N 15 121.536 0.3 . 1 . . . . 100 TYR N . 25590 1 1215 . 1 1 101 101 GLU H H 1 8.781 0.020 . 1 . . . . 101 GLU H . 25590 1 1216 . 1 1 101 101 GLU HA H 1 5.263 0.020 . 1 . . . . 101 GLU HA . 25590 1 1217 . 1 1 101 101 GLU HB2 H 1 2.032 0.020 . 2 . . . . 101 GLU HB2 . 25590 1 1218 . 1 1 101 101 GLU HB3 H 1 1.805 0.020 . 2 . . . . 101 GLU HB3 . 25590 1 1219 . 1 1 101 101 GLU HG2 H 1 2.316 0.020 . 2 . . . . 101 GLU HG2 . 25590 1 1220 . 1 1 101 101 GLU HG3 H 1 2.167 0.020 . 2 . . . . 101 GLU HG3 . 25590 1 1221 . 1 1 101 101 GLU C C 13 174.722 0.3 . 1 . . . . 101 GLU C . 25590 1 1222 . 1 1 101 101 GLU CA C 13 55.092 0.3 . 1 . . . . 101 GLU CA . 25590 1 1223 . 1 1 101 101 GLU CB C 13 33.667 0.3 . 1 . . . . 101 GLU CB . 25590 1 1224 . 1 1 101 101 GLU CG C 13 36.113 0.3 . 1 . . . . 101 GLU CG . 25590 1 1225 . 1 1 101 101 GLU N N 15 123.381 0.3 . 1 . . . . 101 GLU N . 25590 1 1226 . 1 1 102 102 ILE H H 1 9.578 0.020 . 1 . . . . 102 ILE H . 25590 1 1227 . 1 1 102 102 ILE HA H 1 5.204 0.020 . 1 . . . . 102 ILE HA . 25590 1 1228 . 1 1 102 102 ILE HB H 1 1.948 0.020 . 1 . . . . 102 ILE HB . 25590 1 1229 . 1 1 102 102 ILE HG12 H 1 1.214 0.020 . 2 . . . . 102 ILE HG12 . 25590 1 1230 . 1 1 102 102 ILE HG13 H 1 1.146 0.020 . 2 . . . . 102 ILE HG13 . 25590 1 1231 . 1 1 102 102 ILE HG21 H 1 0.949 0.020 . 1 . . . . 102 ILE QG2 . 25590 1 1232 . 1 1 102 102 ILE HG22 H 1 0.949 0.020 . 1 . . . . 102 ILE QG2 . 25590 1 1233 . 1 1 102 102 ILE HG23 H 1 0.949 0.020 . 1 . . . . 102 ILE QG2 . 25590 1 1234 . 1 1 102 102 ILE HD11 H 1 0.818 0.020 . 1 . . . . 102 ILE QD1 . 25590 1 1235 . 1 1 102 102 ILE HD12 H 1 0.818 0.020 . 1 . . . . 102 ILE QD1 . 25590 1 1236 . 1 1 102 102 ILE HD13 H 1 0.818 0.020 . 1 . . . . 102 ILE QD1 . 25590 1 1237 . 1 1 102 102 ILE C C 13 174.005 0.3 . 1 . . . . 102 ILE C . 25590 1 1238 . 1 1 102 102 ILE CA C 13 59.337 0.3 . 1 . . . . 102 ILE CA . 25590 1 1239 . 1 1 102 102 ILE CB C 13 41.613 0.3 . 1 . . . . 102 ILE CB . 25590 1 1240 . 1 1 102 102 ILE CG1 C 13 26.684 0.3 . 1 . . . . 102 ILE CG1 . 25590 1 1241 . 1 1 102 102 ILE CG2 C 13 17.785 0.3 . 1 . . . . 102 ILE CG2 . 25590 1 1242 . 1 1 102 102 ILE CD1 C 13 12.262 0.3 . 1 . . . . 102 ILE CD1 . 25590 1 1243 . 1 1 102 102 ILE N N 15 124.301 0.3 . 1 . . . . 102 ILE N . 25590 1 1244 . 1 1 103 103 LYS H H 1 8.894 0.020 . 1 . . . . 103 LYS H . 25590 1 1245 . 1 1 103 103 LYS HA H 1 5.466 0.020 . 1 . . . . 103 LYS HA . 25590 1 1246 . 1 1 103 103 LYS HB2 H 1 1.879 0.020 . 2 . . . . 103 LYS HB2 . 25590 1 1247 . 1 1 103 103 LYS HB3 H 1 1.775 0.020 . 2 . . . . 103 LYS HB3 . 25590 1 1248 . 1 1 103 103 LYS HG2 H 1 1.398 0.020 . 2 . . . . 103 LYS HG2 . 25590 1 1249 . 1 1 103 103 LYS HG3 H 1 1.450 0.020 . 2 . . . . 103 LYS HG3 . 25590 1 1250 . 1 1 103 103 LYS HD2 H 1 1.604 0.020 . 1 . . . . 103 LYS HD2 . 25590 1 1251 . 1 1 103 103 LYS HD3 H 1 1.604 0.020 . 1 . . . . 103 LYS HD3 . 25590 1 1252 . 1 1 103 103 LYS HE2 H 1 2.992 0.020 . 2 . . . . 103 LYS HE2 . 25590 1 1253 . 1 1 103 103 LYS HE3 H 1 2.841 0.020 . 2 . . . . 103 LYS HE3 . 25590 1 1254 . 1 1 103 103 LYS C C 13 175.146 0.3 . 1 . . . . 103 LYS C . 25590 1 1255 . 1 1 103 103 LYS CA C 13 54.966 0.3 . 1 . . . . 103 LYS CA . 25590 1 1256 . 1 1 103 103 LYS CB C 13 36.433 0.3 . 1 . . . . 103 LYS CB . 25590 1 1257 . 1 1 103 103 LYS CG C 13 25.115 0.3 . 1 . . . . 103 LYS CG . 25590 1 1258 . 1 1 103 103 LYS CD C 13 29.082 0.3 . 1 . . . . 103 LYS CD . 25590 1 1259 . 1 1 103 103 LYS CE C 13 41.880 0.3 . 1 . . . . 103 LYS CE . 25590 1 1260 . 1 1 103 103 LYS N N 15 125.029 0.3 . 1 . . . . 103 LYS N . 25590 1 1261 . 1 1 104 104 LEU H H 1 8.312 0.020 . 1 . . . . 104 LEU H . 25590 1 1262 . 1 1 104 104 LEU HA H 1 5.520 0.020 . 1 . . . . 104 LEU HA . 25590 1 1263 . 1 1 104 104 LEU HB2 H 1 1.982 0.020 . 2 . . . . 104 LEU HB2 . 25590 1 1264 . 1 1 104 104 LEU HB3 H 1 1.253 0.020 . 2 . . . . 104 LEU HB3 . 25590 1 1265 . 1 1 104 104 LEU HG H 1 1.885 0.020 . 1 . . . . 104 LEU HG . 25590 1 1266 . 1 1 104 104 LEU HD11 H 1 0.976 0.020 . 2 . . . . 104 LEU QD1 . 25590 1 1267 . 1 1 104 104 LEU HD12 H 1 0.976 0.020 . 2 . . . . 104 LEU QD1 . 25590 1 1268 . 1 1 104 104 LEU HD13 H 1 0.976 0.020 . 2 . . . . 104 LEU QD1 . 25590 1 1269 . 1 1 104 104 LEU HD21 H 1 0.902 0.020 . 2 . . . . 104 LEU QD2 . 25590 1 1270 . 1 1 104 104 LEU HD22 H 1 0.902 0.020 . 2 . . . . 104 LEU QD2 . 25590 1 1271 . 1 1 104 104 LEU HD23 H 1 0.902 0.020 . 2 . . . . 104 LEU QD2 . 25590 1 1272 . 1 1 104 104 LEU C C 13 175.923 0.3 . 1 . . . . 104 LEU C . 25590 1 1273 . 1 1 104 104 LEU CA C 13 53.244 0.3 . 1 . . . . 104 LEU CA . 25590 1 1274 . 1 1 104 104 LEU CB C 13 43.601 0.3 . 1 . . . . 104 LEU CB . 25590 1 1275 . 1 1 104 104 LEU CG C 13 27.748 0.3 . 1 . . . . 104 LEU CG . 25590 1 1276 . 1 1 104 104 LEU CD1 C 13 24.731 0.3 . 1 . . . . 104 LEU CD1 . 25590 1 1277 . 1 1 104 104 LEU CD2 C 13 24.561 0.3 . 1 . . . . 104 LEU CD2 . 25590 1 1278 . 1 1 104 104 LEU N N 15 122.536 0.3 . 1 . . . . 104 LEU N . 25590 1 1279 . 1 1 105 105 VAL H H 1 8.807 0.020 . 1 . . . . 105 VAL H . 25590 1 1280 . 1 1 105 105 VAL HA H 1 4.445 0.020 . 1 . . . . 105 VAL HA . 25590 1 1281 . 1 1 105 105 VAL HB H 1 2.108 0.020 . 1 . . . . 105 VAL HB . 25590 1 1282 . 1 1 105 105 VAL HG11 H 1 0.987 0.020 . 2 . . . . 105 VAL QG1 . 25590 1 1283 . 1 1 105 105 VAL HG12 H 1 0.987 0.020 . 2 . . . . 105 VAL QG1 . 25590 1 1284 . 1 1 105 105 VAL HG13 H 1 0.987 0.020 . 2 . . . . 105 VAL QG1 . 25590 1 1285 . 1 1 105 105 VAL HG21 H 1 0.899 0.020 . 2 . . . . 105 VAL QG2 . 25590 1 1286 . 1 1 105 105 VAL HG22 H 1 0.899 0.020 . 2 . . . . 105 VAL QG2 . 25590 1 1287 . 1 1 105 105 VAL HG23 H 1 0.899 0.020 . 2 . . . . 105 VAL QG2 . 25590 1 1288 . 1 1 105 105 VAL C C 13 174.956 0.3 . 1 . . . . 105 VAL C . 25590 1 1289 . 1 1 105 105 VAL CA C 13 59.965 0.3 . 1 . . . . 105 VAL CA . 25590 1 1290 . 1 1 105 105 VAL CB C 13 35.332 0.3 . 1 . . . . 105 VAL CB . 25590 1 1291 . 1 1 105 105 VAL CG1 C 13 20.781 0.3 . 1 . . . . 105 VAL CG1 . 25590 1 1292 . 1 1 105 105 VAL CG2 C 13 20.674 0.3 . 1 . . . . 105 VAL CG2 . 25590 1 1293 . 1 1 105 105 VAL N N 15 119.737 0.3 . 1 . . . . 105 VAL N . 25590 1 1294 . 1 1 106 106 ALA H H 1 8.648 0.020 . 1 . . . . 106 ALA H . 25590 1 1295 . 1 1 106 106 ALA HA H 1 4.575 0.020 . 1 . . . . 106 ALA HA . 25590 1 1296 . 1 1 106 106 ALA HB1 H 1 1.474 0.020 . 1 . . . . 106 ALA HB . 25590 1 1297 . 1 1 106 106 ALA HB2 H 1 1.474 0.020 . 1 . . . . 106 ALA HB . 25590 1 1298 . 1 1 106 106 ALA HB3 H 1 1.474 0.020 . 1 . . . . 106 ALA HB . 25590 1 1299 . 1 1 106 106 ALA C C 13 177.425 0.3 . 1 . . . . 106 ALA C . 25590 1 1300 . 1 1 106 106 ALA CA C 13 52.604 0.3 . 1 . . . . 106 ALA CA . 25590 1 1301 . 1 1 106 106 ALA CB C 13 18.692 0.3 . 1 . . . . 106 ALA CB . 25590 1 1302 . 1 1 106 106 ALA N N 15 126.771 0.3 . 1 . . . . 106 ALA N . 25590 1 1303 . 1 1 107 107 SER H H 1 8.179 0.020 . 1 . . . . 107 SER H . 25590 1 1304 . 1 1 107 107 SER HA H 1 4.847 0.020 . 1 . . . . 107 SER HA . 25590 1 1305 . 1 1 107 107 SER HB2 H 1 4.060 0.020 . 2 . . . . 107 SER HB2 . 25590 1 1306 . 1 1 107 107 SER HB3 H 1 3.565 0.020 . 2 . . . . 107 SER HB3 . 25590 1 1307 . 1 1 107 107 SER C C 13 175.018 0.3 . 1 . . . . 107 SER C . 25590 1 1308 . 1 1 107 107 SER CA C 13 55.050 0.3 . 1 . . . . 107 SER CA . 25590 1 1309 . 1 1 107 107 SER CB C 13 63.613 0.3 . 1 . . . . 107 SER CB . 25590 1 1310 . 1 1 107 107 SER N N 15 118.922 0.3 . 1 . . . . 107 SER N . 25590 1 1311 . 1 1 108 108 PRO HA H 1 4.412 0.020 . 1 . . . . 108 PRO HA . 25590 1 1312 . 1 1 108 108 PRO HB2 H 1 2.375 0.020 . 2 . . . . 108 PRO HB2 . 25590 1 1313 . 1 1 108 108 PRO HB3 H 1 1.966 0.020 . 2 . . . . 108 PRO HB3 . 25590 1 1314 . 1 1 108 108 PRO HG2 H 1 2.062 0.020 . 1 . . . . 108 PRO HG2 . 25590 1 1315 . 1 1 108 108 PRO HG3 H 1 2.062 0.020 . 1 . . . . 108 PRO HG3 . 25590 1 1316 . 1 1 108 108 PRO HD2 H 1 3.873 0.020 . 1 . . . . 108 PRO HD2 . 25590 1 1317 . 1 1 108 108 PRO HD3 H 1 3.873 0.020 . 1 . . . . 108 PRO HD3 . 25590 1 1318 . 1 1 108 108 PRO C C 13 176.396 0.3 . 1 . . . . 108 PRO C . 25590 1 1319 . 1 1 108 108 PRO CA C 13 64.999 0.3 . 1 . . . . 108 PRO CA . 25590 1 1320 . 1 1 108 108 PRO CB C 13 31.845 0.3 . 1 . . . . 108 PRO CB . 25590 1 1321 . 1 1 108 108 PRO CG C 13 27.448 0.3 . 1 . . . . 108 PRO CG . 25590 1 1322 . 1 1 108 108 PRO CD C 13 50.990 0.3 . 1 . . . . 108 PRO CD . 25590 1 1323 . 1 1 109 109 ASP H H 1 7.698 0.020 . 1 . . . . 109 ASP H . 25590 1 1324 . 1 1 109 109 ASP HA H 1 4.645 0.020 . 1 . . . . 109 ASP HA . 25590 1 1325 . 1 1 109 109 ASP HB2 H 1 2.748 0.020 . 2 . . . . 109 ASP HB2 . 25590 1 1326 . 1 1 109 109 ASP HB3 H 1 2.685 0.020 . 2 . . . . 109 ASP HB3 . 25590 1 1327 . 1 1 109 109 ASP CA C 13 53.585 0.3 . 1 . . . . 109 ASP CA . 25590 1 1328 . 1 1 109 109 ASP CB C 13 40.499 0.3 . 1 . . . . 109 ASP CB . 25590 1 1329 . 1 1 109 109 ASP N N 15 114.046 0.3 . 1 . . . . 109 ASP N . 25590 1 1330 . 1 1 110 110 GLY H H 1 7.810 0.020 . 1 . . . . 110 GLY H . 25590 1 1331 . 1 1 110 110 GLY HA2 H 1 4.432 0.020 . 2 . . . . 110 GLY HA2 . 25590 1 1332 . 1 1 110 110 GLY HA3 H 1 3.773 0.020 . 2 . . . . 110 GLY HA3 . 25590 1 1333 . 1 1 110 110 GLY C C 13 174.306 0.3 . 1 . . . . 110 GLY C . 25590 1 1334 . 1 1 110 110 GLY CA C 13 45.390 0.3 . 1 . . . . 110 GLY CA . 25590 1 1335 . 1 1 110 110 GLY N N 15 108.055 0.3 . 1 . . . . 110 GLY N . 25590 1 1336 . 1 1 111 111 GLY H H 1 7.642 0.020 . 1 . . . . 111 GLY H . 25590 1 1337 . 1 1 111 111 GLY HA2 H 1 4.146 0.020 . 2 . . . . 111 GLY HA2 . 25590 1 1338 . 1 1 111 111 GLY HA3 H 1 4.038 0.020 . 2 . . . . 111 GLY HA3 . 25590 1 1339 . 1 1 111 111 GLY C C 13 174.558 0.3 . 1 . . . . 111 GLY C . 25590 1 1340 . 1 1 111 111 GLY CA C 13 44.413 0.3 . 1 . . . . 111 GLY CA . 25590 1 1341 . 1 1 111 111 GLY N N 15 108.852 0.3 . 1 . . . . 111 GLY N . 25590 1 1342 . 1 1 112 112 SER H H 1 8.704 0.020 . 1 . . . . 112 SER H . 25590 1 1343 . 1 1 112 112 SER HA H 1 5.457 0.020 . 1 . . . . 112 SER HA . 25590 1 1344 . 1 1 112 112 SER HB2 H 1 3.471 0.020 . 2 . . . . 112 SER HB2 . 25590 1 1345 . 1 1 112 112 SER HB3 H 1 3.433 0.020 . 2 . . . . 112 SER HB3 . 25590 1 1346 . 1 1 112 112 SER C C 13 172.994 0.3 . 1 . . . . 112 SER C . 25590 1 1347 . 1 1 112 112 SER CA C 13 58.488 0.3 . 1 . . . . 112 SER CA . 25590 1 1348 . 1 1 112 112 SER CB C 13 66.595 0.3 . 1 . . . . 112 SER CB . 25590 1 1349 . 1 1 112 112 SER N N 15 116.816 0.3 . 1 . . . . 112 SER N . 25590 1 1350 . 1 1 113 113 ILE H H 1 9.313 0.020 . 1 . . . . 113 ILE H . 25590 1 1351 . 1 1 113 113 ILE HA H 1 4.456 0.020 . 1 . . . . 113 ILE HA . 25590 1 1352 . 1 1 113 113 ILE HB H 1 1.652 0.020 . 1 . . . . 113 ILE HB . 25590 1 1353 . 1 1 113 113 ILE HG12 H 1 1.016 0.020 . 2 . . . . 113 ILE HG12 . 25590 1 1354 . 1 1 113 113 ILE HG13 H 1 1.089 0.020 . 2 . . . . 113 ILE HG13 . 25590 1 1355 . 1 1 113 113 ILE HG21 H 1 0.268 0.020 . 1 . . . . 113 ILE QG2 . 25590 1 1356 . 1 1 113 113 ILE HG22 H 1 0.268 0.020 . 1 . . . . 113 ILE QG2 . 25590 1 1357 . 1 1 113 113 ILE HG23 H 1 0.268 0.020 . 1 . . . . 113 ILE QG2 . 25590 1 1358 . 1 1 113 113 ILE HD11 H 1 0.615 0.020 . 1 . . . . 113 ILE QD1 . 25590 1 1359 . 1 1 113 113 ILE HD12 H 1 0.615 0.020 . 1 . . . . 113 ILE QD1 . 25590 1 1360 . 1 1 113 113 ILE HD13 H 1 0.615 0.020 . 1 . . . . 113 ILE QD1 . 25590 1 1361 . 1 1 113 113 ILE C C 13 174.793 0.3 . 1 . . . . 113 ILE C . 25590 1 1362 . 1 1 113 113 ILE CA C 13 60.970 0.3 . 1 . . . . 113 ILE CA . 25590 1 1363 . 1 1 113 113 ILE CB C 13 39.490 0.3 . 1 . . . . 113 ILE CB . 25590 1 1364 . 1 1 113 113 ILE CG1 C 13 25.051 0.3 . 1 . . . . 113 ILE CG1 . 25590 1 1365 . 1 1 113 113 ILE CG2 C 13 17.512 0.3 . 1 . . . . 113 ILE CG2 . 25590 1 1366 . 1 1 113 113 ILE CD1 C 13 12.610 0.3 . 1 . . . . 113 ILE CD1 . 25590 1 1367 . 1 1 113 113 ILE N N 15 123.928 0.3 . 1 . . . . 113 ILE N . 25590 1 1368 . 1 1 114 114 LEU H H 1 9.105 0.020 . 1 . . . . 114 LEU H . 25590 1 1369 . 1 1 114 114 LEU HA H 1 4.833 0.020 . 1 . . . . 114 LEU HA . 25590 1 1370 . 1 1 114 114 LEU HB2 H 1 1.453 0.020 . 2 . . . . 114 LEU HB2 . 25590 1 1371 . 1 1 114 114 LEU HB3 H 1 1.095 0.020 . 2 . . . . 114 LEU HB3 . 25590 1 1372 . 1 1 114 114 LEU HG H 1 1.344 0.020 . 1 . . . . 114 LEU HG . 25590 1 1373 . 1 1 114 114 LEU HD11 H 1 0.543 0.020 . 2 . . . . 114 LEU QD1 . 25590 1 1374 . 1 1 114 114 LEU HD12 H 1 0.543 0.020 . 2 . . . . 114 LEU QD1 . 25590 1 1375 . 1 1 114 114 LEU HD13 H 1 0.543 0.020 . 2 . . . . 114 LEU QD1 . 25590 1 1376 . 1 1 114 114 LEU HD21 H 1 0.422 0.020 . 2 . . . . 114 LEU QD2 . 25590 1 1377 . 1 1 114 114 LEU HD22 H 1 0.422 0.020 . 2 . . . . 114 LEU QD2 . 25590 1 1378 . 1 1 114 114 LEU HD23 H 1 0.422 0.020 . 2 . . . . 114 LEU QD2 . 25590 1 1379 . 1 1 114 114 LEU C C 13 175.268 0.3 . 1 . . . . 114 LEU C . 25590 1 1380 . 1 1 114 114 LEU CA C 13 54.711 0.3 . 1 . . . . 114 LEU CA . 25590 1 1381 . 1 1 114 114 LEU CB C 13 42.812 0.3 . 1 . . . . 114 LEU CB . 25590 1 1382 . 1 1 114 114 LEU CG C 13 28.098 0.3 . 1 . . . . 114 LEU CG . 25590 1 1383 . 1 1 114 114 LEU CD1 C 13 25.955 0.3 . 1 . . . . 114 LEU CD1 . 25590 1 1384 . 1 1 114 114 LEU CD2 C 13 25.272 0.3 . 1 . . . . 114 LEU CD2 . 25590 1 1385 . 1 1 114 114 LEU N N 15 129.022 0.3 . 1 . . . . 114 LEU N . 25590 1 1386 . 1 1 115 115 LYS H H 1 9.261 0.020 . 1 . . . . 115 LYS H . 25590 1 1387 . 1 1 115 115 LYS HA H 1 5.057 0.020 . 1 . . . . 115 LYS HA . 25590 1 1388 . 1 1 115 115 LYS HB2 H 1 2.010 0.020 . 2 . . . . 115 LYS HB2 . 25590 1 1389 . 1 1 115 115 LYS HB3 H 1 1.836 0.020 . 2 . . . . 115 LYS HB3 . 25590 1 1390 . 1 1 115 115 LYS HG2 H 1 1.460 0.020 . 2 . . . . 115 LYS HG2 . 25590 1 1391 . 1 1 115 115 LYS HG3 H 1 1.424 0.020 . 2 . . . . 115 LYS HG3 . 25590 1 1392 . 1 1 115 115 LYS HD2 H 1 1.661 0.020 . 2 . . . . 115 LYS HD2 . 25590 1 1393 . 1 1 115 115 LYS HD3 H 1 1.622 0.020 . 2 . . . . 115 LYS HD3 . 25590 1 1394 . 1 1 115 115 LYS HE2 H 1 2.967 0.020 . 2 . . . . 115 LYS HE2 . 25590 1 1395 . 1 1 115 115 LYS HE3 H 1 2.878 0.020 . 2 . . . . 115 LYS HE3 . 25590 1 1396 . 1 1 115 115 LYS C C 13 175.157 0.3 . 1 . . . . 115 LYS C . 25590 1 1397 . 1 1 115 115 LYS CA C 13 55.222 0.3 . 1 . . . . 115 LYS CA . 25590 1 1398 . 1 1 115 115 LYS CB C 13 33.684 0.3 . 1 . . . . 115 LYS CB . 25590 1 1399 . 1 1 115 115 LYS CG C 13 24.847 0.3 . 1 . . . . 115 LYS CG . 25590 1 1400 . 1 1 115 115 LYS CD C 13 28.997 0.3 . 1 . . . . 115 LYS CD . 25590 1 1401 . 1 1 115 115 LYS CE C 13 41.789 0.3 . 1 . . . . 115 LYS CE . 25590 1 1402 . 1 1 115 115 LYS N N 15 128.406 0.3 . 1 . . . . 115 LYS N . 25590 1 1403 . 1 1 116 116 SER H H 1 9.000 0.020 . 1 . . . . 116 SER H . 25590 1 1404 . 1 1 116 116 SER HA H 1 5.628 0.020 . 1 . . . . 116 SER HA . 25590 1 1405 . 1 1 116 116 SER HB2 H 1 3.804 0.020 . 2 . . . . 116 SER HB2 . 25590 1 1406 . 1 1 116 116 SER HB3 H 1 3.683 0.020 . 2 . . . . 116 SER HB3 . 25590 1 1407 . 1 1 116 116 SER C C 13 174.027 0.3 . 1 . . . . 116 SER C . 25590 1 1408 . 1 1 116 116 SER CA C 13 56.227 0.3 . 1 . . . . 116 SER CA . 25590 1 1409 . 1 1 116 116 SER CB C 13 65.771 0.3 . 1 . . . . 116 SER CB . 25590 1 1410 . 1 1 116 116 SER N N 15 120.117 0.3 . 1 . . . . 116 SER N . 25590 1 1411 . 1 1 117 117 THR H H 1 9.125 0.020 . 1 . . . . 117 THR H . 25590 1 1412 . 1 1 117 117 THR HA H 1 5.108 0.020 . 1 . . . . 117 THR HA . 25590 1 1413 . 1 1 117 117 THR HB H 1 4.019 0.020 . 1 . . . . 117 THR HB . 25590 1 1414 . 1 1 117 117 THR HG21 H 1 1.193 0.020 . 1 . . . . 117 THR QG2 . 25590 1 1415 . 1 1 117 117 THR HG22 H 1 1.193 0.020 . 1 . . . . 117 THR QG2 . 25590 1 1416 . 1 1 117 117 THR HG23 H 1 1.193 0.020 . 1 . . . . 117 THR QG2 . 25590 1 1417 . 1 1 117 117 THR C C 13 173.394 0.3 . 1 . . . . 117 THR C . 25590 1 1418 . 1 1 117 117 THR CA C 13 62.332 0.3 . 1 . . . . 117 THR CA . 25590 1 1419 . 1 1 117 117 THR CB C 13 71.051 0.3 . 1 . . . . 117 THR CB . 25590 1 1420 . 1 1 117 117 THR CG2 C 13 21.770 0.3 . 1 . . . . 117 THR CG2 . 25590 1 1421 . 1 1 117 117 THR N N 15 121.840 0.3 . 1 . . . . 117 THR N . 25590 1 1422 . 1 1 118 118 SER H H 1 9.366 0.020 . 1 . . . . 118 SER H . 25590 1 1423 . 1 1 118 118 SER HA H 1 5.412 0.020 . 1 . . . . 118 SER HA . 25590 1 1424 . 1 1 118 118 SER HB2 H 1 3.783 0.020 . 2 . . . . 118 SER HB2 . 25590 1 1425 . 1 1 118 118 SER HB3 H 1 3.717 0.020 . 2 . . . . 118 SER HB3 . 25590 1 1426 . 1 1 118 118 SER C C 13 173.304 0.3 . 1 . . . . 118 SER C . 25590 1 1427 . 1 1 118 118 SER CA C 13 56.072 0.3 . 1 . . . . 118 SER CA . 25590 1 1428 . 1 1 118 118 SER CB C 13 65.503 0.3 . 1 . . . . 118 SER CB . 25590 1 1429 . 1 1 118 118 SER N N 15 121.974 0.3 . 1 . . . . 118 SER N . 25590 1 1430 . 1 1 119 119 LYS H H 1 9.264 0.020 . 1 . . . . 119 LYS H . 25590 1 1431 . 1 1 119 119 LYS HA H 1 5.287 0.020 . 1 . . . . 119 LYS HA . 25590 1 1432 . 1 1 119 119 LYS HB2 H 1 1.705 0.020 . 2 . . . . 119 LYS HB2 . 25590 1 1433 . 1 1 119 119 LYS HB3 H 1 1.653 0.020 . 2 . . . . 119 LYS HB3 . 25590 1 1434 . 1 1 119 119 LYS HG2 H 1 1.359 0.020 . 2 . . . . 119 LYS HG2 . 25590 1 1435 . 1 1 119 119 LYS HG3 H 1 1.265 0.020 . 2 . . . . 119 LYS HG3 . 25590 1 1436 . 1 1 119 119 LYS HD2 H 1 1.536 0.020 . 2 . . . . 119 LYS HD2 . 25590 1 1437 . 1 1 119 119 LYS HD3 H 1 1.407 0.020 . 2 . . . . 119 LYS HD3 . 25590 1 1438 . 1 1 119 119 LYS HE2 H 1 2.964 0.020 . 2 . . . . 119 LYS HE2 . 25590 1 1439 . 1 1 119 119 LYS HE3 H 1 2.874 0.020 . 2 . . . . 119 LYS HE3 . 25590 1 1440 . 1 1 119 119 LYS C C 13 174.615 0.3 . 1 . . . . 119 LYS C . 25590 1 1441 . 1 1 119 119 LYS CA C 13 56.201 0.3 . 1 . . . . 119 LYS CA . 25590 1 1442 . 1 1 119 119 LYS CB C 13 33.802 0.3 . 1 . . . . 119 LYS CB . 25590 1 1443 . 1 1 119 119 LYS CG C 13 24.827 0.3 . 1 . . . . 119 LYS CG . 25590 1 1444 . 1 1 119 119 LYS CD C 13 29.132 0.3 . 1 . . . . 119 LYS CD . 25590 1 1445 . 1 1 119 119 LYS CE C 13 41.889 0.3 . 1 . . . . 119 LYS CE . 25590 1 1446 . 1 1 119 119 LYS N N 15 123.046 0.3 . 1 . . . . 119 LYS N . 25590 1 1447 . 1 1 120 120 TYR H H 1 9.676 0.020 . 1 . . . . 120 TYR H . 25590 1 1448 . 1 1 120 120 TYR HA H 1 4.596 0.020 . 1 . . . . 120 TYR HA . 25590 1 1449 . 1 1 120 120 TYR HB2 H 1 3.340 0.020 . 2 . . . . 120 TYR HB2 . 25590 1 1450 . 1 1 120 120 TYR HB3 H 1 2.780 0.020 . 2 . . . . 120 TYR HB3 . 25590 1 1451 . 1 1 120 120 TYR HD1 H 1 7.164 0.020 . 1 . . . . 120 TYR HD1 . 25590 1 1452 . 1 1 120 120 TYR HD2 H 1 7.164 0.020 . 1 . . . . 120 TYR HD2 . 25590 1 1453 . 1 1 120 120 TYR HE1 H 1 6.771 0.020 . 1 . . . . 120 TYR HE1 . 25590 1 1454 . 1 1 120 120 TYR HE2 H 1 6.771 0.020 . 1 . . . . 120 TYR HE2 . 25590 1 1455 . 1 1 120 120 TYR C C 13 174.908 0.3 . 1 . . . . 120 TYR C . 25590 1 1456 . 1 1 120 120 TYR CA C 13 57.854 0.3 . 1 . . . . 120 TYR CA . 25590 1 1457 . 1 1 120 120 TYR CB C 13 39.642 0.3 . 1 . . . . 120 TYR CB . 25590 1 1458 . 1 1 120 120 TYR CD1 C 13 133.631 0.3 . 1 . . . . 120 TYR CD1 . 25590 1 1459 . 1 1 120 120 TYR CE1 C 13 120.781 0.3 . 1 . . . . 120 TYR CE1 . 25590 1 1460 . 1 1 120 120 TYR N N 15 125.277 0.3 . 1 . . . . 120 TYR N . 25590 1 1461 . 1 1 121 121 HIS H H 1 8.527 0.020 . 1 . . . . 121 HIS H . 25590 1 1462 . 1 1 121 121 HIS HA H 1 5.379 0.020 . 1 . . . . 121 HIS HA . 25590 1 1463 . 1 1 121 121 HIS HB2 H 1 3.280 0.020 . 1 . . . . 121 HIS HB2 . 25590 1 1464 . 1 1 121 121 HIS HB3 H 1 3.280 0.020 . 1 . . . . 121 HIS HB3 . 25590 1 1465 . 1 1 121 121 HIS HD2 H 1 6.944 0.020 . 1 . . . . 121 HIS HD2 . 25590 1 1466 . 1 1 121 121 HIS HE1 H 1 7.011 0.020 . 1 . . . . 121 HIS HE1 . 25590 1 1467 . 1 1 121 121 HIS C C 13 175.747 0.3 . 1 . . . . 121 HIS C . 25590 1 1468 . 1 1 121 121 HIS CA C 13 55.154 0.3 . 1 . . . . 121 HIS CA . 25590 1 1469 . 1 1 121 121 HIS CB C 13 30.791 0.3 . 1 . . . . 121 HIS CB . 25590 1 1470 . 1 1 121 121 HIS CD2 C 13 121.280 0.3 . 1 . . . . 121 HIS CD2 . 25590 1 1471 . 1 1 121 121 HIS CE1 C 13 135.808 0.3 . 1 . . . . 121 HIS CE1 . 25590 1 1472 . 1 1 121 121 HIS N N 15 124.104 0.3 . 1 . . . . 121 HIS N . 25590 1 1473 . 1 1 122 122 THR H H 1 9.379 0.020 . 1 . . . . 122 THR H . 25590 1 1474 . 1 1 122 122 THR HA H 1 5.177 0.020 . 1 . . . . 122 THR HA . 25590 1 1475 . 1 1 122 122 THR HB H 1 4.532 0.020 . 1 . . . . 122 THR HB . 25590 1 1476 . 1 1 122 122 THR HG21 H 1 1.235 0.020 . 1 . . . . 122 THR QG2 . 25590 1 1477 . 1 1 122 122 THR HG22 H 1 1.235 0.020 . 1 . . . . 122 THR QG2 . 25590 1 1478 . 1 1 122 122 THR HG23 H 1 1.235 0.020 . 1 . . . . 122 THR QG2 . 25590 1 1479 . 1 1 122 122 THR C C 13 175.149 0.3 . 1 . . . . 122 THR C . 25590 1 1480 . 1 1 122 122 THR CA C 13 59.956 0.3 . 1 . . . . 122 THR CA . 25590 1 1481 . 1 1 122 122 THR CB C 13 71.061 0.3 . 1 . . . . 122 THR CB . 25590 1 1482 . 1 1 122 122 THR CG2 C 13 22.767 0.3 . 1 . . . . 122 THR CG2 . 25590 1 1483 . 1 1 122 122 THR N N 15 115.638 0.3 . 1 . . . . 122 THR N . 25590 1 1484 . 1 1 123 123 LYS H H 1 8.601 0.020 . 1 . . . . 123 LYS H . 25590 1 1485 . 1 1 123 123 LYS HA H 1 4.463 0.020 . 1 . . . . 123 LYS HA . 25590 1 1486 . 1 1 123 123 LYS HB2 H 1 1.836 0.020 . 2 . . . . 123 LYS HB2 . 25590 1 1487 . 1 1 123 123 LYS HB3 H 1 1.647 0.020 . 2 . . . . 123 LYS HB3 . 25590 1 1488 . 1 1 123 123 LYS HG2 H 1 1.440 0.020 . 2 . . . . 123 LYS HG2 . 25590 1 1489 . 1 1 123 123 LYS HG3 H 1 1.385 0.020 . 2 . . . . 123 LYS HG3 . 25590 1 1490 . 1 1 123 123 LYS HD2 H 1 1.653 0.020 . 2 . . . . 123 LYS HD2 . 25590 1 1491 . 1 1 123 123 LYS HD3 H 1 1.580 0.020 . 2 . . . . 123 LYS HD3 . 25590 1 1492 . 1 1 123 123 LYS HE2 H 1 2.999 0.020 . 2 . . . . 123 LYS HE2 . 25590 1 1493 . 1 1 123 123 LYS HE3 H 1 2.932 0.020 . 2 . . . . 123 LYS HE3 . 25590 1 1494 . 1 1 123 123 LYS C C 13 176.786 0.3 . 1 . . . . 123 LYS C . 25590 1 1495 . 1 1 123 123 LYS CA C 13 56.100 0.3 . 1 . . . . 123 LYS CA . 25590 1 1496 . 1 1 123 123 LYS CB C 13 33.724 0.3 . 1 . . . . 123 LYS CB . 25590 1 1497 . 1 1 123 123 LYS CG C 13 24.903 0.3 . 1 . . . . 123 LYS CG . 25590 1 1498 . 1 1 123 123 LYS CD C 13 29.147 0.3 . 1 . . . . 123 LYS CD . 25590 1 1499 . 1 1 123 123 LYS CE C 13 42.046 0.3 . 1 . . . . 123 LYS CE . 25590 1 1500 . 1 1 123 123 LYS N N 15 121.724 0.3 . 1 . . . . 123 LYS N . 25590 1 1501 . 1 1 124 124 GLY HA2 H 1 4.472 0.020 . 1 . . . . 124 GLY HA2 . 25590 1 1502 . 1 1 125 125 ASP HA H 1 4.819 0.020 . 1 . . . . 125 ASP HA . 25590 1 1503 . 1 1 125 125 ASP HB2 H 1 2.745 0.020 . 2 . . . . 125 ASP HB2 . 25590 1 1504 . 1 1 125 125 ASP HB3 H 1 2.543 0.020 . 2 . . . . 125 ASP HB3 . 25590 1 1505 . 1 1 125 125 ASP C C 13 176.257 0.3 . 1 . . . . 125 ASP C . 25590 1 1506 . 1 1 125 125 ASP CA C 13 53.570 0.3 . 1 . . . . 125 ASP CA . 25590 1 1507 . 1 1 125 125 ASP CB C 13 40.540 0.3 . 1 . . . . 125 ASP CB . 25590 1 1508 . 1 1 126 126 HIS H H 1 7.928 0.020 . 1 . . . . 126 HIS H . 25590 1 1509 . 1 1 126 126 HIS HA H 1 4.461 0.020 . 1 . . . . 126 HIS HA . 25590 1 1510 . 1 1 126 126 HIS HB2 H 1 3.274 0.020 . 2 . . . . 126 HIS HB2 . 25590 1 1511 . 1 1 126 126 HIS HB3 H 1 3.089 0.020 . 2 . . . . 126 HIS HB3 . 25590 1 1512 . 1 1 126 126 HIS HD2 H 1 6.938 0.020 . 1 . . . . 126 HIS HD2 . 25590 1 1513 . 1 1 126 126 HIS HE1 H 1 7.597 0.020 . 1 . . . . 126 HIS HE1 . 25590 1 1514 . 1 1 126 126 HIS C C 13 175.768 0.3 . 1 . . . . 126 HIS C . 25590 1 1515 . 1 1 126 126 HIS CA C 13 58.150 0.3 . 1 . . . . 126 HIS CA . 25590 1 1516 . 1 1 126 126 HIS CB C 13 31.534 0.3 . 1 . . . . 126 HIS CB . 25590 1 1517 . 1 1 126 126 HIS CD2 C 13 120.634 0.3 . 1 . . . . 126 HIS CD2 . 25590 1 1518 . 1 1 126 126 HIS CE1 C 13 134.121 0.3 . 1 . . . . 126 HIS CE1 . 25590 1 1519 . 1 1 126 126 HIS N N 15 119.326 0.3 . 1 . . . . 126 HIS N . 25590 1 1520 . 1 1 127 127 GLU H H 1 8.550 0.020 . 1 . . . . 127 GLU H . 25590 1 1521 . 1 1 127 127 GLU HA H 1 4.406 0.020 . 1 . . . . 127 GLU HA . 25590 1 1522 . 1 1 127 127 GLU HB2 H 1 1.890 0.020 . 2 . . . . 127 GLU HB2 . 25590 1 1523 . 1 1 127 127 GLU HB3 H 1 1.832 0.020 . 2 . . . . 127 GLU HB3 . 25590 1 1524 . 1 1 127 127 GLU HG2 H 1 2.185 0.020 . 2 . . . . 127 GLU HG2 . 25590 1 1525 . 1 1 127 127 GLU HG3 H 1 2.117 0.020 . 2 . . . . 127 GLU HG3 . 25590 1 1526 . 1 1 127 127 GLU C C 13 175.311 0.3 . 1 . . . . 127 GLU C . 25590 1 1527 . 1 1 127 127 GLU CA C 13 54.976 0.3 . 1 . . . . 127 GLU CA . 25590 1 1528 . 1 1 127 127 GLU CB C 13 31.328 0.3 . 1 . . . . 127 GLU CB . 25590 1 1529 . 1 1 127 127 GLU CG C 13 36.190 0.3 . 1 . . . . 127 GLU CG . 25590 1 1530 . 1 1 127 127 GLU N N 15 123.191 0.3 . 1 . . . . 127 GLU N . 25590 1 1531 . 1 1 128 128 ILE H H 1 6.462 0.020 . 1 . . . . 128 ILE H . 25590 1 1532 . 1 1 128 128 ILE HA H 1 4.121 0.020 . 1 . . . . 128 ILE HA . 25590 1 1533 . 1 1 128 128 ILE HB H 1 1.210 0.020 . 1 . . . . 128 ILE HB . 25590 1 1534 . 1 1 128 128 ILE HG12 H 1 1.047 0.020 . 2 . . . . 128 ILE HG12 . 25590 1 1535 . 1 1 128 128 ILE HG13 H 1 0.828 0.020 . 2 . . . . 128 ILE HG13 . 25590 1 1536 . 1 1 128 128 ILE HG21 H 1 0.399 0.020 . 1 . . . . 128 ILE QG2 . 25590 1 1537 . 1 1 128 128 ILE HG22 H 1 0.399 0.020 . 1 . . . . 128 ILE QG2 . 25590 1 1538 . 1 1 128 128 ILE HG23 H 1 0.399 0.020 . 1 . . . . 128 ILE QG2 . 25590 1 1539 . 1 1 128 128 ILE HD11 H 1 0.548 0.020 . 1 . . . . 128 ILE QD1 . 25590 1 1540 . 1 1 128 128 ILE HD12 H 1 0.548 0.020 . 1 . . . . 128 ILE QD1 . 25590 1 1541 . 1 1 128 128 ILE HD13 H 1 0.548 0.020 . 1 . . . . 128 ILE QD1 . 25590 1 1542 . 1 1 128 128 ILE C C 13 174.525 0.3 . 1 . . . . 128 ILE C . 25590 1 1543 . 1 1 128 128 ILE CA C 13 58.829 0.3 . 1 . . . . 128 ILE CA . 25590 1 1544 . 1 1 128 128 ILE CB C 13 38.930 0.3 . 1 . . . . 128 ILE CB . 25590 1 1545 . 1 1 128 128 ILE CG1 C 13 27.317 0.3 . 1 . . . . 128 ILE CG1 . 25590 1 1546 . 1 1 128 128 ILE CG2 C 13 17.434 0.3 . 1 . . . . 128 ILE CG2 . 25590 1 1547 . 1 1 128 128 ILE CD1 C 13 13.203 0.3 . 1 . . . . 128 ILE CD1 . 25590 1 1548 . 1 1 128 128 ILE N N 15 119.870 0.3 . 1 . . . . 128 ILE N . 25590 1 1549 . 1 1 129 129 LYS H H 1 8.154 0.020 . 1 . . . . 129 LYS H . 25590 1 1550 . 1 1 129 129 LYS HA H 1 5.434 0.020 . 1 . . . . 129 LYS HA . 25590 1 1551 . 1 1 129 129 LYS HB2 H 1 1.776 0.020 . 2 . . . . 129 LYS HB2 . 25590 1 1552 . 1 1 129 129 LYS HB3 H 1 1.896 0.020 . 2 . . . . 129 LYS HB3 . 25590 1 1553 . 1 1 129 129 LYS HG2 H 1 1.409 0.020 . 2 . . . . 129 LYS HG2 . 25590 1 1554 . 1 1 129 129 LYS HG3 H 1 1.351 0.020 . 2 . . . . 129 LYS HG3 . 25590 1 1555 . 1 1 129 129 LYS HD2 H 1 1.627 0.020 . 2 . . . . 129 LYS HD2 . 25590 1 1556 . 1 1 129 129 LYS HD3 H 1 1.577 0.020 . 2 . . . . 129 LYS HD3 . 25590 1 1557 . 1 1 129 129 LYS HE2 H 1 2.979 0.020 . 2 . . . . 129 LYS HE2 . 25590 1 1558 . 1 1 129 129 LYS HE3 H 1 2.880 0.020 . 2 . . . . 129 LYS HE3 . 25590 1 1559 . 1 1 129 129 LYS C C 13 177.397 0.3 . 1 . . . . 129 LYS C . 25590 1 1560 . 1 1 129 129 LYS CA C 13 54.764 0.3 . 1 . . . . 129 LYS CA . 25590 1 1561 . 1 1 129 129 LYS CB C 13 33.099 0.3 . 1 . . . . 129 LYS CB . 25590 1 1562 . 1 1 129 129 LYS CG C 13 24.773 0.3 . 1 . . . . 129 LYS CG . 25590 1 1563 . 1 1 129 129 LYS CD C 13 29.051 0.3 . 1 . . . . 129 LYS CD . 25590 1 1564 . 1 1 129 129 LYS CE C 13 41.995 0.3 . 1 . . . . 129 LYS CE . 25590 1 1565 . 1 1 129 129 LYS N N 15 125.051 0.3 . 1 . . . . 129 LYS N . 25590 1 1566 . 1 1 130 130 GLU H H 1 8.123 0.020 . 1 . . . . 130 GLU H . 25590 1 1567 . 1 1 130 130 GLU HA H 1 3.651 0.020 . 1 . . . . 130 GLU HA . 25590 1 1568 . 1 1 130 130 GLU HB2 H 1 2.062 0.020 . 2 . . . . 130 GLU HB2 . 25590 1 1569 . 1 1 130 130 GLU HB3 H 1 1.998 0.020 . 2 . . . . 130 GLU HB3 . 25590 1 1570 . 1 1 130 130 GLU HG2 H 1 2.354 0.020 . 2 . . . . 130 GLU HG2 . 25590 1 1571 . 1 1 130 130 GLU HG3 H 1 2.245 0.020 . 2 . . . . 130 GLU HG3 . 25590 1 1572 . 1 1 130 130 GLU C C 13 177.939 0.3 . 1 . . . . 130 GLU C . 25590 1 1573 . 1 1 130 130 GLU CA C 13 59.896 0.3 . 1 . . . . 130 GLU CA . 25590 1 1574 . 1 1 130 130 GLU CB C 13 29.291 0.3 . 1 . . . . 130 GLU CB . 25590 1 1575 . 1 1 130 130 GLU CG C 13 36.028 0.3 . 1 . . . . 130 GLU CG . 25590 1 1576 . 1 1 130 130 GLU N N 15 121.200 0.3 . 1 . . . . 130 GLU N . 25590 1 1577 . 1 1 131 131 ASP H H 1 8.616 0.020 . 1 . . . . 131 ASP H . 25590 1 1578 . 1 1 131 131 ASP HA H 1 4.244 0.020 . 1 . . . . 131 ASP HA . 25590 1 1579 . 1 1 131 131 ASP HB2 H 1 2.658 0.020 . 2 . . . . 131 ASP HB2 . 25590 1 1580 . 1 1 131 131 ASP HB3 H 1 2.546 0.020 . 2 . . . . 131 ASP HB3 . 25590 1 1581 . 1 1 131 131 ASP C C 13 178.368 0.3 . 1 . . . . 131 ASP C . 25590 1 1582 . 1 1 131 131 ASP CA C 13 56.863 0.3 . 1 . . . . 131 ASP CA . 25590 1 1583 . 1 1 131 131 ASP CB C 13 39.722 0.3 . 1 . . . . 131 ASP CB . 25590 1 1584 . 1 1 131 131 ASP N N 15 115.787 0.3 . 1 . . . . 131 ASP N . 25590 1 1585 . 1 1 132 132 GLN H H 1 7.542 0.020 . 1 . . . . 132 GLN H . 25590 1 1586 . 1 1 132 132 GLN HA H 1 4.161 0.020 . 1 . . . . 132 GLN HA . 25590 1 1587 . 1 1 132 132 GLN HB2 H 1 2.191 0.020 . 2 . . . . 132 GLN HB2 . 25590 1 1588 . 1 1 132 132 GLN HB3 H 1 2.056 0.020 . 2 . . . . 132 GLN HB3 . 25590 1 1589 . 1 1 132 132 GLN HG2 H 1 2.485 0.020 . 2 . . . . 132 GLN HG2 . 25590 1 1590 . 1 1 132 132 GLN HG3 H 1 2.343 0.020 . 2 . . . . 132 GLN HG3 . 25590 1 1591 . 1 1 132 132 GLN C C 13 177.906 0.3 . 1 . . . . 132 GLN C . 25590 1 1592 . 1 1 132 132 GLN CA C 13 58.082 0.3 . 1 . . . . 132 GLN CA . 25590 1 1593 . 1 1 132 132 GLN CB C 13 28.832 0.3 . 1 . . . . 132 GLN CB . 25590 1 1594 . 1 1 132 132 GLN CG C 13 33.761 0.3 . 1 . . . . 132 GLN CG . 25590 1 1595 . 1 1 132 132 GLN N N 15 118.408 0.3 . 1 . . . . 132 GLN N . 25590 1 1596 . 1 1 133 133 ILE H H 1 7.133 0.020 . 1 . . . . 133 ILE H . 25590 1 1597 . 1 1 133 133 ILE HA H 1 3.835 0.020 . 1 . . . . 133 ILE HA . 25590 1 1598 . 1 1 133 133 ILE HB H 1 1.738 0.020 . 1 . . . . 133 ILE HB . 25590 1 1599 . 1 1 133 133 ILE HG12 H 1 0.970 0.020 . 2 . . . . 133 ILE HG12 . 25590 1 1600 . 1 1 133 133 ILE HG13 H 1 0.644 0.020 . 2 . . . . 133 ILE HG13 . 25590 1 1601 . 1 1 133 133 ILE HG21 H 1 0.333 0.020 . 1 . . . . 133 ILE QG2 . 25590 1 1602 . 1 1 133 133 ILE HG22 H 1 0.333 0.020 . 1 . . . . 133 ILE QG2 . 25590 1 1603 . 1 1 133 133 ILE HG23 H 1 0.333 0.020 . 1 . . . . 133 ILE QG2 . 25590 1 1604 . 1 1 133 133 ILE HD11 H 1 0.106 0.020 . 1 . . . . 133 ILE QD1 . 25590 1 1605 . 1 1 133 133 ILE HD12 H 1 0.106 0.020 . 1 . . . . 133 ILE QD1 . 25590 1 1606 . 1 1 133 133 ILE HD13 H 1 0.106 0.020 . 1 . . . . 133 ILE QD1 . 25590 1 1607 . 1 1 133 133 ILE C C 13 178.016 0.3 . 1 . . . . 133 ILE C . 25590 1 1608 . 1 1 133 133 ILE CA C 13 62.964 0.3 . 1 . . . . 133 ILE CA . 25590 1 1609 . 1 1 133 133 ILE CB C 13 37.595 0.3 . 1 . . . . 133 ILE CB . 25590 1 1610 . 1 1 133 133 ILE CG1 C 13 26.836 0.3 . 1 . . . . 133 ILE CG1 . 25590 1 1611 . 1 1 133 133 ILE CG2 C 13 17.066 0.3 . 1 . . . . 133 ILE CG2 . 25590 1 1612 . 1 1 133 133 ILE CD1 C 13 12.360 0.3 . 1 . . . . 133 ILE CD1 . 25590 1 1613 . 1 1 133 133 ILE N N 15 117.739 0.3 . 1 . . . . 133 ILE N . 25590 1 1614 . 1 1 134 134 LYS H H 1 7.862 0.020 . 1 . . . . 134 LYS H . 25590 1 1615 . 1 1 134 134 LYS HA H 1 3.824 0.020 . 1 . . . . 134 LYS HA . 25590 1 1616 . 1 1 134 134 LYS HB2 H 1 1.929 0.020 . 2 . . . . 134 LYS HB2 . 25590 1 1617 . 1 1 134 134 LYS HB3 H 1 1.814 0.020 . 2 . . . . 134 LYS HB3 . 25590 1 1618 . 1 1 134 134 LYS HG2 H 1 1.402 0.020 . 2 . . . . 134 LYS HG2 . 25590 1 1619 . 1 1 134 134 LYS HG3 H 1 1.337 0.020 . 2 . . . . 134 LYS HG3 . 25590 1 1620 . 1 1 134 134 LYS HD2 H 1 1.629 0.020 . 2 . . . . 134 LYS HD2 . 25590 1 1621 . 1 1 134 134 LYS HD3 H 1 1.547 0.020 . 2 . . . . 134 LYS HD3 . 25590 1 1622 . 1 1 134 134 LYS C C 13 178.007 0.3 . 1 . . . . 134 LYS C . 25590 1 1623 . 1 1 134 134 LYS CA C 13 59.712 0.3 . 1 . . . . 134 LYS CA . 25590 1 1624 . 1 1 134 134 LYS CB C 13 32.531 0.3 . 1 . . . . 134 LYS CB . 25590 1 1625 . 1 1 134 134 LYS CG C 13 24.696 0.3 . 1 . . . . 134 LYS CG . 25590 1 1626 . 1 1 134 134 LYS CD C 13 29.004 0.3 . 1 . . . . 134 LYS CD . 25590 1 1627 . 1 1 134 134 LYS N N 15 120.384 0.3 . 1 . . . . 134 LYS N . 25590 1 1628 . 1 1 135 135 ALA H H 1 7.848 0.020 . 1 . . . . 135 ALA H . 25590 1 1629 . 1 1 135 135 ALA HA H 1 4.212 0.020 . 1 . . . . 135 ALA HA . 25590 1 1630 . 1 1 135 135 ALA HB1 H 1 1.457 0.020 . 1 . . . . 135 ALA HB . 25590 1 1631 . 1 1 135 135 ALA HB2 H 1 1.457 0.020 . 1 . . . . 135 ALA HB . 25590 1 1632 . 1 1 135 135 ALA HB3 H 1 1.457 0.020 . 1 . . . . 135 ALA HB . 25590 1 1633 . 1 1 135 135 ALA C C 13 180.718 0.3 . 1 . . . . 135 ALA C . 25590 1 1634 . 1 1 135 135 ALA CA C 13 55.173 0.3 . 1 . . . . 135 ALA CA . 25590 1 1635 . 1 1 135 135 ALA CB C 13 17.858 0.3 . 1 . . . . 135 ALA CB . 25590 1 1636 . 1 1 135 135 ALA N N 15 120.795 0.3 . 1 . . . . 135 ALA N . 25590 1 1637 . 1 1 136 136 GLY H H 1 8.060 0.020 . 1 . . . . 136 GLY H . 25590 1 1638 . 1 1 136 136 GLY HA2 H 1 4.679 0.020 . 2 . . . . 136 GLY HA2 . 25590 1 1639 . 1 1 136 136 GLY HA3 H 1 3.874 0.020 . 2 . . . . 136 GLY HA3 . 25590 1 1640 . 1 1 136 136 GLY C C 13 175.633 0.3 . 1 . . . . 136 GLY C . 25590 1 1641 . 1 1 136 136 GLY CA C 13 47.125 0.3 . 1 . . . . 136 GLY CA . 25590 1 1642 . 1 1 136 136 GLY N N 15 105.807 0.3 . 1 . . . . 136 GLY N . 25590 1 1643 . 1 1 138 138 GLU HA H 1 4.023 0.020 . 1 . . . . 138 GLU HA . 25590 1 1644 . 1 1 138 138 GLU HB2 H 1 1.953 0.020 . 2 . . . . 138 GLU HB2 . 25590 1 1645 . 1 1 138 138 GLU HB3 H 1 1.857 0.020 . 2 . . . . 138 GLU HB3 . 25590 1 1646 . 1 1 138 138 GLU HG2 H 1 2.398 0.020 . 2 . . . . 138 GLU HG2 . 25590 1 1647 . 1 1 138 138 GLU HG3 H 1 2.214 0.020 . 2 . . . . 138 GLU HG3 . 25590 1 1648 . 1 1 138 138 GLU CA C 13 57.481 0.3 . 1 . . . . 138 GLU CA . 25590 1 1649 . 1 1 138 138 GLU CB C 13 31.927 0.3 . 1 . . . . 138 GLU CB . 25590 1 1650 . 1 1 138 138 GLU CG C 13 36.278 0.3 . 1 . . . . 138 GLU CG . 25590 1 1651 . 1 1 139 139 GLU H H 1 8.414 0.020 . 1 . . . . 139 GLU H . 25590 1 1652 . 1 1 139 139 GLU HA H 1 4.165 0.020 . 1 . . . . 139 GLU HA . 25590 1 1653 . 1 1 139 139 GLU HB2 H 1 2.186 0.020 . 2 . . . . 139 GLU HB2 . 25590 1 1654 . 1 1 139 139 GLU HB3 H 1 2.103 0.020 . 2 . . . . 139 GLU HB3 . 25590 1 1655 . 1 1 139 139 GLU HG2 H 1 2.374 0.020 . 2 . . . . 139 GLU HG2 . 25590 1 1656 . 1 1 139 139 GLU HG3 H 1 2.342 0.020 . 2 . . . . 139 GLU HG3 . 25590 1 1657 . 1 1 139 139 GLU CA C 13 59.634 0.3 . 1 . . . . 139 GLU CA . 25590 1 1658 . 1 1 139 139 GLU CB C 13 29.251 0.3 . 1 . . . . 139 GLU CB . 25590 1 1659 . 1 1 139 139 GLU CG C 13 34.517 0.3 . 1 . . . . 139 GLU CG . 25590 1 1660 . 1 1 139 139 GLU N N 15 120.128 0.3 . 1 . . . . 139 GLU N . 25590 1 1661 . 1 1 140 140 ALA HA H 1 4.058 0.020 . 1 . . . . 140 ALA HA . 25590 1 1662 . 1 1 140 140 ALA HB1 H 1 1.485 0.020 . 1 . . . . 140 ALA HB . 25590 1 1663 . 1 1 140 140 ALA HB2 H 1 1.485 0.020 . 1 . . . . 140 ALA HB . 25590 1 1664 . 1 1 140 140 ALA HB3 H 1 1.485 0.020 . 1 . . . . 140 ALA HB . 25590 1 1665 . 1 1 140 140 ALA C C 13 179.518 0.3 . 1 . . . . 140 ALA C . 25590 1 1666 . 1 1 140 140 ALA CA C 13 55.522 0.3 . 1 . . . . 140 ALA CA . 25590 1 1667 . 1 1 140 140 ALA CB C 13 17.917 0.3 . 1 . . . . 140 ALA CB . 25590 1 1668 . 1 1 141 141 SER H H 1 8.415 0.020 . 1 . . . . 141 SER H . 25590 1 1669 . 1 1 141 141 SER HA H 1 4.261 0.020 . 1 . . . . 141 SER HA . 25590 1 1670 . 1 1 141 141 SER HB2 H 1 4.029 0.020 . 2 . . . . 141 SER HB2 . 25590 1 1671 . 1 1 141 141 SER HB3 H 1 3.924 0.020 . 2 . . . . 141 SER HB3 . 25590 1 1672 . 1 1 141 141 SER CA C 13 61.848 0.3 . 1 . . . . 141 SER CA . 25590 1 1673 . 1 1 141 141 SER CB C 13 63.042 0.3 . 1 . . . . 141 SER CB . 25590 1 1674 . 1 1 141 141 SER N N 15 112.801 0.3 . 1 . . . . 141 SER N . 25590 1 1675 . 1 1 142 142 GLY H H 1 8.032 0.020 . 1 . . . . 142 GLY H . 25590 1 1676 . 1 1 142 142 GLY HA2 H 1 3.910 0.020 . 2 . . . . 142 GLY HA2 . 25590 1 1677 . 1 1 142 142 GLY HA3 H 1 3.852 0.020 . 2 . . . . 142 GLY HA3 . 25590 1 1678 . 1 1 142 142 GLY C C 13 177.080 0.3 . 1 . . . . 142 GLY C . 25590 1 1679 . 1 1 142 142 GLY CA C 13 46.983 0.3 . 1 . . . . 142 GLY CA . 25590 1 1680 . 1 1 142 142 GLY N N 15 107.935 0.3 . 1 . . . . 142 GLY N . 25590 1 1681 . 1 1 143 143 ILE H H 1 7.826 0.020 . 1 . . . . 143 ILE H . 25590 1 1682 . 1 1 143 143 ILE HA H 1 4.129 0.020 . 1 . . . . 143 ILE HA . 25590 1 1683 . 1 1 143 143 ILE HB H 1 1.863 0.020 . 1 . . . . 143 ILE HB . 25590 1 1684 . 1 1 143 143 ILE HG12 H 1 1.999 0.020 . 2 . . . . 143 ILE HG12 . 25590 1 1685 . 1 1 143 143 ILE HG13 H 1 1.920 0.020 . 2 . . . . 143 ILE HG13 . 25590 1 1686 . 1 1 143 143 ILE HG21 H 1 0.794 0.020 . 1 . . . . 143 ILE QG2 . 25590 1 1687 . 1 1 143 143 ILE HG22 H 1 0.794 0.020 . 1 . . . . 143 ILE QG2 . 25590 1 1688 . 1 1 143 143 ILE HG23 H 1 0.794 0.020 . 1 . . . . 143 ILE QG2 . 25590 1 1689 . 1 1 143 143 ILE HD11 H 1 0.787 0.020 . 1 . . . . 143 ILE QD1 . 25590 1 1690 . 1 1 143 143 ILE HD12 H 1 0.787 0.020 . 1 . . . . 143 ILE QD1 . 25590 1 1691 . 1 1 143 143 ILE HD13 H 1 0.787 0.020 . 1 . . . . 143 ILE QD1 . 25590 1 1692 . 1 1 143 143 ILE C C 13 177.554 0.3 . 1 . . . . 143 ILE C . 25590 1 1693 . 1 1 143 143 ILE CA C 13 62.068 0.3 . 1 . . . . 143 ILE CA . 25590 1 1694 . 1 1 143 143 ILE CB C 13 37.738 0.3 . 1 . . . . 143 ILE CB . 25590 1 1695 . 1 1 143 143 ILE CG1 C 13 26.936 0.3 . 1 . . . . 143 ILE CG1 . 25590 1 1696 . 1 1 143 143 ILE CG2 C 13 17.580 0.3 . 1 . . . . 143 ILE CG2 . 25590 1 1697 . 1 1 143 143 ILE CD1 C 13 10.699 0.3 . 1 . . . . 143 ILE CD1 . 25590 1 1698 . 1 1 143 143 ILE N N 15 123.044 0.3 . 1 . . . . 143 ILE N . 25590 1 1699 . 1 1 144 144 PHE H H 1 8.388 0.020 . 1 . . . . 144 PHE H . 25590 1 1700 . 1 1 144 144 PHE HA H 1 3.839 0.020 . 1 . . . . 144 PHE HA . 25590 1 1701 . 1 1 144 144 PHE HB2 H 1 3.192 0.020 . 2 . . . . 144 PHE HB2 . 25590 1 1702 . 1 1 144 144 PHE HB3 H 1 3.060 0.020 . 2 . . . . 144 PHE HB3 . 25590 1 1703 . 1 1 144 144 PHE HD1 H 1 7.009 0.020 . 1 . . . . 144 PHE HD1 . 25590 1 1704 . 1 1 144 144 PHE HD2 H 1 7.009 0.020 . 1 . . . . 144 PHE HD2 . 25590 1 1705 . 1 1 144 144 PHE C C 13 176.967 0.3 . 1 . . . . 144 PHE C . 25590 1 1706 . 1 1 144 144 PHE CA C 13 62.563 0.3 . 1 . . . . 144 PHE CA . 25590 1 1707 . 1 1 144 144 PHE CB C 13 38.581 0.3 . 1 . . . . 144 PHE CB . 25590 1 1708 . 1 1 144 144 PHE CD1 C 13 131.008 0.3 . 1 . . . . 144 PHE CD1 . 25590 1 1709 . 1 1 144 144 PHE N N 15 119.742 0.3 . 1 . . . . 144 PHE N . 25590 1 1710 . 1 1 145 145 LYS H H 1 8.663 0.020 . 1 . . . . 145 LYS H . 25590 1 1711 . 1 1 145 145 LYS HA H 1 3.785 0.020 . 1 . . . . 145 LYS HA . 25590 1 1712 . 1 1 145 145 LYS HB2 H 1 1.977 0.020 . 2 . . . . 145 LYS HB2 . 25590 1 1713 . 1 1 145 145 LYS HB3 H 1 1.843 0.020 . 2 . . . . 145 LYS HB3 . 25590 1 1714 . 1 1 145 145 LYS HG2 H 1 1.327 0.020 . 2 . . . . 145 LYS HG2 . 25590 1 1715 . 1 1 145 145 LYS HG3 H 1 1.195 0.020 . 2 . . . . 145 LYS HG3 . 25590 1 1716 . 1 1 145 145 LYS HD2 H 1 1.666 0.020 . 1 . . . . 145 LYS HD2 . 25590 1 1717 . 1 1 145 145 LYS HD3 H 1 1.666 0.020 . 1 . . . . 145 LYS HD3 . 25590 1 1718 . 1 1 145 145 LYS HE2 H 1 2.924 0.020 . 2 . . . . 145 LYS HE2 . 25590 1 1719 . 1 1 145 145 LYS HE3 H 1 3.007 0.020 . 2 . . . . 145 LYS HE3 . 25590 1 1720 . 1 1 145 145 LYS C C 13 179.355 0.3 . 1 . . . . 145 LYS C . 25590 1 1721 . 1 1 145 145 LYS CA C 13 58.672 0.3 . 1 . . . . 145 LYS CA . 25590 1 1722 . 1 1 145 145 LYS CB C 13 31.442 0.3 . 1 . . . . 145 LYS CB . 25590 1 1723 . 1 1 145 145 LYS CG C 13 24.762 0.3 . 1 . . . . 145 LYS CG . 25590 1 1724 . 1 1 145 145 LYS CD C 13 28.955 0.3 . 1 . . . . 145 LYS CD . 25590 1 1725 . 1 1 145 145 LYS CE C 13 41.789 0.3 . 1 . . . . 145 LYS CE . 25590 1 1726 . 1 1 145 145 LYS N N 15 117.055 0.3 . 1 . . . . 145 LYS N . 25590 1 1727 . 1 1 146 146 ALA H H 1 7.715 0.020 . 1 . . . . 146 ALA H . 25590 1 1728 . 1 1 146 146 ALA HA H 1 4.274 0.020 . 1 . . . . 146 ALA HA . 25590 1 1729 . 1 1 146 146 ALA HB1 H 1 1.555 0.020 . 1 . . . . 146 ALA HB . 25590 1 1730 . 1 1 146 146 ALA HB2 H 1 1.555 0.020 . 1 . . . . 146 ALA HB . 25590 1 1731 . 1 1 146 146 ALA HB3 H 1 1.555 0.020 . 1 . . . . 146 ALA HB . 25590 1 1732 . 1 1 146 146 ALA C C 13 180.556 0.3 . 1 . . . . 146 ALA C . 25590 1 1733 . 1 1 146 146 ALA CA C 13 54.967 0.3 . 1 . . . . 146 ALA CA . 25590 1 1734 . 1 1 146 146 ALA CB C 13 17.801 0.3 . 1 . . . . 146 ALA CB . 25590 1 1735 . 1 1 146 146 ALA N N 15 122.759 0.3 . 1 . . . . 146 ALA N . 25590 1 1736 . 1 1 147 147 VAL H H 1 8.006 0.020 . 1 . . . . 147 VAL H . 25590 1 1737 . 1 1 147 147 VAL HA H 1 3.446 0.020 . 1 . . . . 147 VAL HA . 25590 1 1738 . 1 1 147 147 VAL HB H 1 2.043 0.020 . 1 . . . . 147 VAL HB . 25590 1 1739 . 1 1 147 147 VAL HG11 H 1 0.929 0.020 . 2 . . . . 147 VAL QG1 . 25590 1 1740 . 1 1 147 147 VAL HG12 H 1 0.929 0.020 . 2 . . . . 147 VAL QG1 . 25590 1 1741 . 1 1 147 147 VAL HG13 H 1 0.929 0.020 . 2 . . . . 147 VAL QG1 . 25590 1 1742 . 1 1 147 147 VAL HG21 H 1 0.603 0.020 . 2 . . . . 147 VAL QG2 . 25590 1 1743 . 1 1 147 147 VAL HG22 H 1 0.603 0.020 . 2 . . . . 147 VAL QG2 . 25590 1 1744 . 1 1 147 147 VAL HG23 H 1 0.603 0.020 . 2 . . . . 147 VAL QG2 . 25590 1 1745 . 1 1 147 147 VAL C C 13 176.993 0.3 . 1 . . . . 147 VAL C . 25590 1 1746 . 1 1 147 147 VAL CA C 13 67.094 0.3 . 1 . . . . 147 VAL CA . 25590 1 1747 . 1 1 147 147 VAL CB C 13 31.082 0.3 . 1 . . . . 147 VAL CB . 25590 1 1748 . 1 1 147 147 VAL CG1 C 13 23.417 0.3 . 1 . . . . 147 VAL CG1 . 25590 1 1749 . 1 1 147 147 VAL CG2 C 13 21.039 0.3 . 1 . . . . 147 VAL CG2 . 25590 1 1750 . 1 1 147 147 VAL N N 15 121.063 0.3 . 1 . . . . 147 VAL N . 25590 1 1751 . 1 1 148 148 GLU H H 1 8.705 0.020 . 1 . . . . 148 GLU H . 25590 1 1752 . 1 1 148 148 GLU HA H 1 3.820 0.020 . 1 . . . . 148 GLU HA . 25590 1 1753 . 1 1 148 148 GLU HB2 H 1 2.132 0.020 . 2 . . . . 148 GLU HB2 . 25590 1 1754 . 1 1 148 148 GLU HB3 H 1 1.851 0.020 . 2 . . . . 148 GLU HB3 . 25590 1 1755 . 1 1 148 148 GLU HG2 H 1 2.264 0.020 . 2 . . . . 148 GLU HG2 . 25590 1 1756 . 1 1 148 148 GLU HG3 H 1 2.217 0.020 . 2 . . . . 148 GLU HG3 . 25590 1 1757 . 1 1 148 148 GLU C C 13 177.380 0.3 . 1 . . . . 148 GLU C . 25590 1 1758 . 1 1 148 148 GLU CA C 13 60.086 0.3 . 1 . . . . 148 GLU CA . 25590 1 1759 . 1 1 148 148 GLU CB C 13 29.947 0.3 . 1 . . . . 148 GLU CB . 25590 1 1760 . 1 1 148 148 GLU CG C 13 36.117 0.3 . 1 . . . . 148 GLU CG . 25590 1 1761 . 1 1 148 148 GLU N N 15 120.925 0.3 . 1 . . . . 148 GLU N . 25590 1 1762 . 1 1 149 149 ALA H H 1 8.187 0.020 . 1 . . . . 149 ALA H . 25590 1 1763 . 1 1 149 149 ALA HA H 1 4.010 0.020 . 1 . . . . 149 ALA HA . 25590 1 1764 . 1 1 149 149 ALA HB1 H 1 1.544 0.020 . 1 . . . . 149 ALA HB . 25590 1 1765 . 1 1 149 149 ALA HB2 H 1 1.544 0.020 . 1 . . . . 149 ALA HB . 25590 1 1766 . 1 1 149 149 ALA HB3 H 1 1.544 0.020 . 1 . . . . 149 ALA HB . 25590 1 1767 . 1 1 149 149 ALA C C 13 180.737 0.3 . 1 . . . . 149 ALA C . 25590 1 1768 . 1 1 149 149 ALA CA C 13 55.220 0.3 . 1 . . . . 149 ALA CA . 25590 1 1769 . 1 1 149 149 ALA CB C 13 18.002 0.3 . 1 . . . . 149 ALA CB . 25590 1 1770 . 1 1 149 149 ALA N N 15 118.678 0.3 . 1 . . . . 149 ALA N . 25590 1 1771 . 1 1 150 150 TYR H H 1 7.771 0.020 . 1 . . . . 150 TYR H . 25590 1 1772 . 1 1 150 150 TYR HA H 1 4.127 0.020 . 1 . . . . 150 TYR HA . 25590 1 1773 . 1 1 150 150 TYR HB2 H 1 3.255 0.020 . 2 . . . . 150 TYR HB2 . 25590 1 1774 . 1 1 150 150 TYR HB3 H 1 3.180 0.020 . 2 . . . . 150 TYR HB3 . 25590 1 1775 . 1 1 150 150 TYR HD1 H 1 6.981 0.020 . 1 . . . . 150 TYR HD1 . 25590 1 1776 . 1 1 150 150 TYR HD2 H 1 6.981 0.020 . 1 . . . . 150 TYR HD2 . 25590 1 1777 . 1 1 150 150 TYR HE1 H 1 6.697 0.020 . 1 . . . . 150 TYR HE1 . 25590 1 1778 . 1 1 150 150 TYR HE2 H 1 6.697 0.020 . 1 . . . . 150 TYR HE2 . 25590 1 1779 . 1 1 150 150 TYR C C 13 178.165 0.3 . 1 . . . . 150 TYR C . 25590 1 1780 . 1 1 150 150 TYR CA C 13 62.093 0.3 . 1 . . . . 150 TYR CA . 25590 1 1781 . 1 1 150 150 TYR CB C 13 38.504 0.3 . 1 . . . . 150 TYR CB . 25590 1 1782 . 1 1 150 150 TYR CD1 C 13 131.580 0.3 . 1 . . . . 150 TYR CD1 . 25590 1 1783 . 1 1 150 150 TYR CE1 C 13 120.646 0.3 . 1 . . . . 150 TYR CE1 . 25590 1 1784 . 1 1 150 150 TYR N N 15 119.867 0.3 . 1 . . . . 150 TYR N . 25590 1 1785 . 1 1 151 151 LEU H H 1 8.384 0.020 . 1 . . . . 151 LEU H . 25590 1 1786 . 1 1 151 151 LEU HA H 1 4.112 0.020 . 1 . . . . 151 LEU HA . 25590 1 1787 . 1 1 151 151 LEU HB2 H 1 1.836 0.020 . 2 . . . . 151 LEU HB2 . 25590 1 1788 . 1 1 151 151 LEU HB3 H 1 1.430 0.020 . 2 . . . . 151 LEU HB3 . 25590 1 1789 . 1 1 151 151 LEU HG H 1 1.424 0.020 . 1 . . . . 151 LEU HG . 25590 1 1790 . 1 1 151 151 LEU HD11 H 1 0.947 0.020 . 2 . . . . 151 LEU QD1 . 25590 1 1791 . 1 1 151 151 LEU HD12 H 1 0.947 0.020 . 2 . . . . 151 LEU QD1 . 25590 1 1792 . 1 1 151 151 LEU HD13 H 1 0.947 0.020 . 2 . . . . 151 LEU QD1 . 25590 1 1793 . 1 1 151 151 LEU HD21 H 1 0.800 0.020 . 2 . . . . 151 LEU QD2 . 25590 1 1794 . 1 1 151 151 LEU HD22 H 1 0.800 0.020 . 2 . . . . 151 LEU QD2 . 25590 1 1795 . 1 1 151 151 LEU HD23 H 1 0.800 0.020 . 2 . . . . 151 LEU QD2 . 25590 1 1796 . 1 1 151 151 LEU C C 13 178.501 0.3 . 1 . . . . 151 LEU C . 25590 1 1797 . 1 1 151 151 LEU CA C 13 57.069 0.3 . 1 . . . . 151 LEU CA . 25590 1 1798 . 1 1 151 151 LEU CB C 13 41.993 0.3 . 1 . . . . 151 LEU CB . 25590 1 1799 . 1 1 151 151 LEU CG C 13 25.125 0.3 . 1 . . . . 151 LEU CG . 25590 1 1800 . 1 1 151 151 LEU CD1 C 13 22.814 0.3 . 1 . . . . 151 LEU CD1 . 25590 1 1801 . 1 1 151 151 LEU CD2 C 13 22.860 0.3 . 1 . . . . 151 LEU CD2 . 25590 1 1802 . 1 1 151 151 LEU N N 15 119.856 0.3 . 1 . . . . 151 LEU N . 25590 1 1803 . 1 1 152 152 LEU H H 1 7.585 0.020 . 1 . . . . 152 LEU H . 25590 1 1804 . 1 1 152 152 LEU HA H 1 4.210 0.020 . 1 . . . . 152 LEU HA . 25590 1 1805 . 1 1 152 152 LEU HB2 H 1 1.397 0.020 . 2 . . . . 152 LEU HB2 . 25590 1 1806 . 1 1 152 152 LEU HB3 H 1 1.341 0.020 . 2 . . . . 152 LEU HB3 . 25590 1 1807 . 1 1 152 152 LEU HG H 1 1.379 0.020 . 1 . . . . 152 LEU HG . 25590 1 1808 . 1 1 152 152 LEU HD11 H 1 1.275 0.020 . 2 . . . . 152 LEU QD1 . 25590 1 1809 . 1 1 152 152 LEU HD12 H 1 1.275 0.020 . 2 . . . . 152 LEU QD1 . 25590 1 1810 . 1 1 152 152 LEU HD13 H 1 1.275 0.020 . 2 . . . . 152 LEU QD1 . 25590 1 1811 . 1 1 152 152 LEU HD21 H 1 0.867 0.020 . 2 . . . . 152 LEU QD2 . 25590 1 1812 . 1 1 152 152 LEU HD22 H 1 0.867 0.020 . 2 . . . . 152 LEU QD2 . 25590 1 1813 . 1 1 152 152 LEU HD23 H 1 0.867 0.020 . 2 . . . . 152 LEU QD2 . 25590 1 1814 . 1 1 152 152 LEU C C 13 176.851 0.3 . 1 . . . . 152 LEU C . 25590 1 1815 . 1 1 152 152 LEU CA C 13 52.830 0.3 . 1 . . . . 152 LEU CA . 25590 1 1816 . 1 1 152 152 LEU CB C 13 38.851 0.3 . 1 . . . . 152 LEU CB . 25590 1 1817 . 1 1 152 152 LEU CD1 C 13 25.699 0.3 . 1 . . . . 152 LEU CD1 . 25590 1 1818 . 1 1 152 152 LEU CD2 C 13 25.474 0.3 . 1 . . . . 152 LEU CD2 . 25590 1 1819 . 1 1 152 152 LEU N N 15 119.081 0.3 . 1 . . . . 152 LEU N . 25590 1 1820 . 1 1 153 153 ALA H H 1 7.130 0.020 . 1 . . . . 153 ALA H . 25590 1 1821 . 1 1 153 153 ALA HA H 1 4.151 0.020 . 1 . . . . 153 ALA HA . 25590 1 1822 . 1 1 153 153 ALA HB1 H 1 1.394 0.020 . 1 . . . . 153 ALA HB . 25590 1 1823 . 1 1 153 153 ALA HB2 H 1 1.394 0.020 . 1 . . . . 153 ALA HB . 25590 1 1824 . 1 1 153 153 ALA HB3 H 1 1.394 0.020 . 1 . . . . 153 ALA HB . 25590 1 1825 . 1 1 153 153 ALA C C 13 172.490 0.3 . 1 . . . . 153 ALA C . 25590 1 1826 . 1 1 153 153 ALA CA C 13 53.011 0.3 . 1 . . . . 153 ALA CA . 25590 1 1827 . 1 1 153 153 ALA CB C 13 19.025 0.3 . 1 . . . . 153 ALA CB . 25590 1 1828 . 1 1 153 153 ALA N N 15 115.117 0.3 . 1 . . . . 153 ALA N . 25590 1 1829 . 1 1 154 154 ASN HA H 1 4.691 0.020 . 1 . . . . 154 ASN HA . 25590 1 1830 . 1 1 154 154 ASN HB2 H 1 2.409 0.020 . 2 . . . . 154 ASN HB2 . 25590 1 1831 . 1 1 154 154 ASN HB3 H 1 2.203 0.020 . 2 . . . . 154 ASN HB3 . 25590 1 1832 . 1 1 154 154 ASN HD21 H 1 7.572 0.020 . 1 . . . . 154 ASN HD21 . 25590 1 1833 . 1 1 154 154 ASN HD22 H 1 6.741 0.020 . 1 . . . . 154 ASN HD22 . 25590 1 1834 . 1 1 154 154 ASN CA C 13 55.852 0.3 . 1 . . . . 154 ASN CA . 25590 1 1835 . 1 1 154 154 ASN CB C 13 39.278 0.3 . 1 . . . . 154 ASN CB . 25590 1 1836 . 1 1 154 154 ASN ND2 N 15 110.975 0.3 . 1 . . . . 154 ASN ND2 . 25590 1 1837 . 1 1 155 155 PRO HA H 1 4.059 0.020 . 1 . . . . 155 PRO HA . 25590 1 1838 . 1 1 155 155 PRO HB2 H 1 2.278 0.020 . 2 . . . . 155 PRO HB2 . 25590 1 1839 . 1 1 155 155 PRO HB3 H 1 2.042 0.020 . 2 . . . . 155 PRO HB3 . 25590 1 1840 . 1 1 155 155 PRO HG2 H 1 1.610 0.020 . 2 . . . . 155 PRO HG2 . 25590 1 1841 . 1 1 155 155 PRO HG3 H 1 1.408 0.020 . 2 . . . . 155 PRO HG3 . 25590 1 1842 . 1 1 155 155 PRO HD2 H 1 3.138 0.020 . 2 . . . . 155 PRO HD2 . 25590 1 1843 . 1 1 155 155 PRO HD3 H 1 3.524 0.020 . 2 . . . . 155 PRO HD3 . 25590 1 1844 . 1 1 155 155 PRO C C 13 176.450 0.3 . 1 . . . . 155 PRO C . 25590 1 1845 . 1 1 155 155 PRO CA C 13 64.787 0.3 . 1 . . . . 155 PRO CA . 25590 1 1846 . 1 1 155 155 PRO CB C 13 31.798 0.3 . 1 . . . . 155 PRO CB . 25590 1 1847 . 1 1 155 155 PRO CG C 13 27.650 0.3 . 1 . . . . 155 PRO CG . 25590 1 1848 . 1 1 155 155 PRO CD C 13 50.310 0.3 . 1 . . . . 155 PRO CD . 25590 1 1849 . 1 1 156 156 ALA H H 1 8.228 0.020 . 1 . . . . 156 ALA H . 25590 1 1850 . 1 1 156 156 ALA HA H 1 4.334 0.020 . 1 . . . . 156 ALA HA . 25590 1 1851 . 1 1 156 156 ALA HB1 H 1 1.346 0.020 . 1 . . . . 156 ALA HB . 25590 1 1852 . 1 1 156 156 ALA HB2 H 1 1.346 0.020 . 1 . . . . 156 ALA HB . 25590 1 1853 . 1 1 156 156 ALA HB3 H 1 1.346 0.020 . 1 . . . . 156 ALA HB . 25590 1 1854 . 1 1 156 156 ALA C C 13 178.673 0.3 . 1 . . . . 156 ALA C . 25590 1 1855 . 1 1 156 156 ALA CA C 13 52.255 0.3 . 1 . . . . 156 ALA CA . 25590 1 1856 . 1 1 156 156 ALA CB C 13 18.691 0.3 . 1 . . . . 156 ALA CB . 25590 1 1857 . 1 1 156 156 ALA N N 15 117.324 0.3 . 1 . . . . 156 ALA N . 25590 1 1858 . 1 1 157 157 ALA H H 1 7.772 0.020 . 1 . . . . 157 ALA H . 25590 1 1859 . 1 1 157 157 ALA HA H 1 5.082 0.020 . 1 . . . . 157 ALA HA . 25590 1 1860 . 1 1 157 157 ALA HB1 H 1 1.224 0.020 . 1 . . . . 157 ALA HB . 25590 1 1861 . 1 1 157 157 ALA HB2 H 1 1.224 0.020 . 1 . . . . 157 ALA HB . 25590 1 1862 . 1 1 157 157 ALA HB3 H 1 1.224 0.020 . 1 . . . . 157 ALA HB . 25590 1 1863 . 1 1 157 157 ALA C C 13 178.027 0.3 . 1 . . . . 157 ALA C . 25590 1 1864 . 1 1 157 157 ALA CA C 13 50.824 0.3 . 1 . . . . 157 ALA CA . 25590 1 1865 . 1 1 157 157 ALA CB C 13 18.514 0.3 . 1 . . . . 157 ALA CB . 25590 1 1866 . 1 1 157 157 ALA N N 15 122.689 0.3 . 1 . . . . 157 ALA N . 25590 1 1867 . 1 1 158 158 TYR H H 1 7.367 0.020 . 1 . . . . 158 TYR H . 25590 1 1868 . 1 1 158 158 TYR N N 15 120.782 0.3 . 1 . . . . 158 TYR N . 25590 1 1869 . 1 1 159 159 HIS H H 1 7.381 0.020 . 1 . . . . 159 HIS H . 25590 1 1870 . 1 1 159 159 HIS HA H 1 4.323 0.020 . 1 . . . . 159 HIS HA . 25590 1 1871 . 1 1 159 159 HIS HB2 H 1 3.091 0.020 . 2 . . . . 159 HIS HB2 . 25590 1 1872 . 1 1 159 159 HIS HB3 H 1 2.939 0.020 . 2 . . . . 159 HIS HB3 . 25590 1 1873 . 1 1 159 159 HIS HD2 H 1 6.894 0.020 . 1 . . . . 159 HIS HD2 . 25590 1 1874 . 1 1 159 159 HIS HE1 H 1 7.087 0.020 . 1 . . . . 159 HIS HE1 . 25590 1 1875 . 1 1 159 159 HIS CA C 13 59.113 0.3 . 1 . . . . 159 HIS CA . 25590 1 1876 . 1 1 159 159 HIS CB C 13 31.688 0.3 . 1 . . . . 159 HIS CB . 25590 1 1877 . 1 1 159 159 HIS CD2 C 13 120.446 0.3 . 1 . . . . 159 HIS CD2 . 25590 1 1878 . 1 1 159 159 HIS CE1 C 13 136.266 0.3 . 1 . . . . 159 HIS CE1 . 25590 1 stop_ save_