data_26345 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26345 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-12 _Entry.Accession_date 2024-07-25 _Entry.Last_release_date 2024-07-25 _Entry.Original_release_date 2024-07-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Shota Enomoto . . . . 26345 2 Shoichi Nakatsuka . . . . 26345 3 Mariko Yokogawa . . . . 26345 4 Masanori Osawa . . . . 26345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 26345 '15N chemical shifts' 101 26345 '1H chemical shifts' 101 26345 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 . . 2025-09-15 . original BMRB . 26345 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26344 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146) phosphorylated on T32' 26345 BMRB 26346 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284)' 26345 BMRB 26347 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284) phosphorylated on S253' 26345 BMRB 26348 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for full length 14-3-3z' 26345 BMRB 26350 'Backbone 1H and 15N Chemical Shift Assignments for FOXO3a (1-284) phosphorylated on T32 and S253' 26345 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26345 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39259470 _Citation.DOI 10.1007/s12104-024-10200-7 _Citation.Full_citation . _Citation.Title ; NMR (1)H, (13)C, (15)N backbone resonance assignments of 14-3-3z binding region of human FOXO3a (residues 1-284). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 18 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-2718 _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 275 _Citation.Page_last 283 _Citation.Year 2024 _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 Shota Enomoto S. . . . 26345 1 2 Shoichi Nakatsuka S. . . . 26345 1 3 Tomoya Kuwayama T. . . . 26345 1 4 Kosaku Kawatsu K. . . . 26345 1 5 Mariko Yokogawa M. . . . 26345 1 6 Masanori Osawa M. . . . 26345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26345 _Assembly.ID 1 _Assembly.Name 'FOXO3a (1-146)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14714 _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 'FOXO3a (1-146)' 1 $entity_1 . . yes native no no . . . 26345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FOXO3a (1-146)' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GPLGSMAEAPASPAPLSPLE VELDPEFEPQSRPRSCTWPL QRPELQASPAKPSGETAADS MIPEEEDDEDDEDGGGRAGS AMAIGGGGGSGTLGSGLLLE DSARVLAPGGQDPGSGPATA AGGLSGGTQALLQPQQPLPP PQPGAAGGSGQ ; _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 151 _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 14714 _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 -5 GLY . 26345 1 2 -4 PRO . 26345 1 3 -3 LEU . 26345 1 4 -2 GLY . 26345 1 5 -1 SER . 26345 1 6 1 MET . 26345 1 7 2 ALA . 26345 1 8 3 GLU . 26345 1 9 4 ALA . 26345 1 10 5 PRO . 26345 1 11 6 ALA . 26345 1 12 7 SER . 26345 1 13 8 PRO . 26345 1 14 9 ALA . 26345 1 15 10 PRO . 26345 1 16 11 LEU . 26345 1 17 12 SER . 26345 1 18 13 PRO . 26345 1 19 14 LEU . 26345 1 20 15 GLU . 26345 1 21 16 VAL . 26345 1 22 17 GLU . 26345 1 23 18 LEU . 26345 1 24 19 ASP . 26345 1 25 20 PRO . 26345 1 26 21 GLU . 26345 1 27 22 PHE . 26345 1 28 23 GLU . 26345 1 29 24 PRO . 26345 1 30 25 GLN . 26345 1 31 26 SER . 26345 1 32 27 ARG . 26345 1 33 28 PRO . 26345 1 34 29 ARG . 26345 1 35 30 SER . 26345 1 36 31 CYS . 26345 1 37 32 THR . 26345 1 38 33 TRP . 26345 1 39 34 PRO . 26345 1 40 35 LEU . 26345 1 41 36 GLN . 26345 1 42 37 ARG . 26345 1 43 38 PRO . 26345 1 44 39 GLU . 26345 1 45 40 LEU . 26345 1 46 41 GLN . 26345 1 47 42 ALA . 26345 1 48 43 SER . 26345 1 49 44 PRO . 26345 1 50 45 ALA . 26345 1 51 46 LYS . 26345 1 52 47 PRO . 26345 1 53 48 SER . 26345 1 54 49 GLY . 26345 1 55 50 GLU . 26345 1 56 51 THR . 26345 1 57 52 ALA . 26345 1 58 53 ALA . 26345 1 59 54 ASP . 26345 1 60 55 SER . 26345 1 61 56 MET . 26345 1 62 57 ILE . 26345 1 63 58 PRO . 26345 1 64 59 GLU . 26345 1 65 60 GLU . 26345 1 66 61 GLU . 26345 1 67 62 ASP . 26345 1 68 63 ASP . 26345 1 69 64 GLU . 26345 1 70 65 ASP . 26345 1 71 66 ASP . 26345 1 72 67 GLU . 26345 1 73 68 ASP . 26345 1 74 69 GLY . 26345 1 75 70 GLY . 26345 1 76 71 GLY . 26345 1 77 72 ARG . 26345 1 78 73 ALA . 26345 1 79 74 GLY . 26345 1 80 75 SER . 26345 1 81 76 ALA . 26345 1 82 77 MET . 26345 1 83 78 ALA . 26345 1 84 79 ILE . 26345 1 85 80 GLY . 26345 1 86 81 GLY . 26345 1 87 82 GLY . 26345 1 88 83 GLY . 26345 1 89 84 GLY . 26345 1 90 85 SER . 26345 1 91 86 GLY . 26345 1 92 87 THR . 26345 1 93 88 LEU . 26345 1 94 89 GLY . 26345 1 95 90 SER . 26345 1 96 91 GLY . 26345 1 97 92 LEU . 26345 1 98 93 LEU . 26345 1 99 94 LEU . 26345 1 100 95 GLU . 26345 1 101 96 ASP . 26345 1 102 97 SER . 26345 1 103 98 ALA . 26345 1 104 99 ARG . 26345 1 105 100 VAL . 26345 1 106 101 LEU . 26345 1 107 102 ALA . 26345 1 108 103 PRO . 26345 1 109 104 GLY . 26345 1 110 105 GLY . 26345 1 111 106 GLN . 26345 1 112 107 ASP . 26345 1 113 108 PRO . 26345 1 114 109 GLY . 26345 1 115 110 SER . 26345 1 116 111 GLY . 26345 1 117 112 PRO . 26345 1 118 113 ALA . 26345 1 119 114 THR . 26345 1 120 115 ALA . 26345 1 121 116 ALA . 26345 1 122 117 GLY . 26345 1 123 118 GLY . 26345 1 124 119 LEU . 26345 1 125 120 SER . 26345 1 126 121 GLY . 26345 1 127 122 GLY . 26345 1 128 123 THR . 26345 1 129 124 GLN . 26345 1 130 125 ALA . 26345 1 131 126 LEU . 26345 1 132 127 LEU . 26345 1 133 128 GLN . 26345 1 134 129 PRO . 26345 1 135 130 GLN . 26345 1 136 131 GLN . 26345 1 137 132 PRO . 26345 1 138 133 LEU . 26345 1 139 134 PRO . 26345 1 140 135 PRO . 26345 1 141 136 PRO . 26345 1 142 137 GLN . 26345 1 143 138 PRO . 26345 1 144 139 GLY . 26345 1 145 140 ALA . 26345 1 146 141 ALA . 26345 1 147 142 GLY . 26345 1 148 143 GLY . 26345 1 149 144 SER . 26345 1 150 145 GLY . 26345 1 151 146 GLN . 26345 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 26345 1 . PRO 2 2 26345 1 . LEU 3 3 26345 1 . GLY 4 4 26345 1 . SER 5 5 26345 1 . MET 6 6 26345 1 . ALA 7 7 26345 1 . GLU 8 8 26345 1 . ALA 9 9 26345 1 . PRO 10 10 26345 1 . ALA 11 11 26345 1 . SER 12 12 26345 1 . PRO 13 13 26345 1 . ALA 14 14 26345 1 . PRO 15 15 26345 1 . LEU 16 16 26345 1 . SER 17 17 26345 1 . PRO 18 18 26345 1 . LEU 19 19 26345 1 . GLU 20 20 26345 1 . VAL 21 21 26345 1 . GLU 22 22 26345 1 . LEU 23 23 26345 1 . ASP 24 24 26345 1 . PRO 25 25 26345 1 . GLU 26 26 26345 1 . PHE 27 27 26345 1 . GLU 28 28 26345 1 . PRO 29 29 26345 1 . GLN 30 30 26345 1 . SER 31 31 26345 1 . ARG 32 32 26345 1 . PRO 33 33 26345 1 . ARG 34 34 26345 1 . SER 35 35 26345 1 . CYS 36 36 26345 1 . THR 37 37 26345 1 . TRP 38 38 26345 1 . PRO 39 39 26345 1 . LEU 40 40 26345 1 . GLN 41 41 26345 1 . ARG 42 42 26345 1 . PRO 43 43 26345 1 . GLU 44 44 26345 1 . LEU 45 45 26345 1 . GLN 46 46 26345 1 . ALA 47 47 26345 1 . SER 48 48 26345 1 . PRO 49 49 26345 1 . ALA 50 50 26345 1 . LYS 51 51 26345 1 . PRO 52 52 26345 1 . SER 53 53 26345 1 . GLY 54 54 26345 1 . GLU 55 55 26345 1 . THR 56 56 26345 1 . ALA 57 57 26345 1 . ALA 58 58 26345 1 . ASP 59 59 26345 1 . SER 60 60 26345 1 . MET 61 61 26345 1 . ILE 62 62 26345 1 . PRO 63 63 26345 1 . GLU 64 64 26345 1 . GLU 65 65 26345 1 . GLU 66 66 26345 1 . ASP 67 67 26345 1 . ASP 68 68 26345 1 . GLU 69 69 26345 1 . ASP 70 70 26345 1 . ASP 71 71 26345 1 . GLU 72 72 26345 1 . ASP 73 73 26345 1 . GLY 74 74 26345 1 . GLY 75 75 26345 1 . GLY 76 76 26345 1 . ARG 77 77 26345 1 . ALA 78 78 26345 1 . GLY 79 79 26345 1 . SER 80 80 26345 1 . ALA 81 81 26345 1 . MET 82 82 26345 1 . ALA 83 83 26345 1 . ILE 84 84 26345 1 . GLY 85 85 26345 1 . GLY 86 86 26345 1 . GLY 87 87 26345 1 . GLY 88 88 26345 1 . GLY 89 89 26345 1 . SER 90 90 26345 1 . GLY 91 91 26345 1 . THR 92 92 26345 1 . LEU 93 93 26345 1 . GLY 94 94 26345 1 . SER 95 95 26345 1 . GLY 96 96 26345 1 . LEU 97 97 26345 1 . LEU 98 98 26345 1 . LEU 99 99 26345 1 . GLU 100 100 26345 1 . ASP 101 101 26345 1 . SER 102 102 26345 1 . ALA 103 103 26345 1 . ARG 104 104 26345 1 . VAL 105 105 26345 1 . LEU 106 106 26345 1 . ALA 107 107 26345 1 . PRO 108 108 26345 1 . GLY 109 109 26345 1 . GLY 110 110 26345 1 . GLN 111 111 26345 1 . ASP 112 112 26345 1 . PRO 113 113 26345 1 . GLY 114 114 26345 1 . SER 115 115 26345 1 . GLY 116 116 26345 1 . PRO 117 117 26345 1 . ALA 118 118 26345 1 . THR 119 119 26345 1 . ALA 120 120 26345 1 . ALA 121 121 26345 1 . GLY 122 122 26345 1 . GLY 123 123 26345 1 . LEU 124 124 26345 1 . SER 125 125 26345 1 . GLY 126 126 26345 1 . GLY 127 127 26345 1 . THR 128 128 26345 1 . GLN 129 129 26345 1 . ALA 130 130 26345 1 . LEU 131 131 26345 1 . LEU 132 132 26345 1 . GLN 133 133 26345 1 . PRO 134 134 26345 1 . GLN 135 135 26345 1 . GLN 136 136 26345 1 . PRO 137 137 26345 1 . LEU 138 138 26345 1 . PRO 139 139 26345 1 . PRO 140 140 26345 1 . PRO 141 141 26345 1 . GLN 142 142 26345 1 . PRO 143 143 26345 1 . GLY 144 144 26345 1 . ALA 145 145 26345 1 . ALA 146 146 26345 1 . GLY 147 147 26345 1 . GLY 148 148 26345 1 . SER 149 149 26345 1 . GLY 150 150 26345 1 . GLN 151 151 26345 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26345 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26345 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26345 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . plasmid . . pGEX6P-1 . . . 26345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26345 _Sample.ID 1 _Sample.Name '13C 15N FOXO3a (1-146)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'FOXO3a (1-146)' '[U-13C; U-15N]' 1 $assembly_1 1 $entity_1 . protein 466 . . uM . . . . 26345 1 2 DTT 'natural abundance' . . . . . 'reducing agent' 1 . . mM . . . . 26345 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26345 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 26345 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26345 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26345 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 26345 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 26345 1 pressure 1 . atm 26345 1 temperature 303 . K 26345 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26345 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26345 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26345 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26345 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 26345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26345 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26345 1 2 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26345 1 3 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26345 1 4 '3D CC(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26345 1 5 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26345 1 6 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26345 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 26345 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_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 . . . . . 26345 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . 26345 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26345 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift of FOXO3a (1-146)' _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 $chem_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' 1 $sample_1 isotropic 26345 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26345 1 3 '3D HNCACB' 1 $sample_1 isotropic 26345 1 4 '3D CC(CO)NH' 1 $sample_1 isotropic 26345 1 5 '3D HNCO' 1 $sample_1 isotropic 26345 1 6 '3D HN(CA)CO' 1 $sample_1 isotropic 26345 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 $software_1 . . 26345 1 2 $software_2 . . 26345 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 PRO C C 13 177.033 0.03 . 1 . . . . . -4 PRO C . 26345 1 2 . 1 . 1 2 2 PRO CA C 13 63.334 0.2 . 1 . . . . . -4 PRO CA . 26345 1 3 . 1 . 1 2 2 PRO CB C 13 32.557 0.2 . 1 . . . . . -4 PRO CB . 26345 1 4 . 1 . 1 2 2 PRO CD C 13 50.356 0.2 . 1 . . . . . -4 PRO CD . 26345 1 5 . 1 . 1 2 2 PRO CG C 13 27.732 0.2 . 1 . . . . . -4 PRO CG . 26345 1 6 . 1 . 1 3 3 LEU H H 1 8.496 0.01 . 1 . . . . . -3 LEU H . 26345 1 7 . 1 . 1 3 3 LEU C C 13 177.994 0.03 . 1 . . . . . -3 LEU C . 26345 1 8 . 1 . 1 3 3 LEU CA C 13 55.737 0.2 . 1 . . . . . -3 LEU CA . 26345 1 9 . 1 . 1 3 3 LEU CB C 13 42.537 0.2 . 1 . . . . . -3 LEU CB . 26345 1 10 . 1 . 1 3 3 LEU CD1 C 13 22.920 0.2 . 2 . . . . . -3 LEU CD1 . 26345 1 11 . 1 . 1 3 3 LEU CD2 C 13 21.641 0.2 . 2 . . . . . -3 LEU CD2 . 26345 1 12 . 1 . 1 3 3 LEU CG C 13 27.709 0.2 . 1 . . . . . -3 LEU CG . 26345 1 13 . 1 . 1 3 3 LEU N N 15 122.355 0.05 . 1 . . . . . -3 LEU N . 26345 1 14 . 1 . 1 4 4 GLY H H 1 8.395 0.01 . 1 . . . . . -2 GLY H . 26345 1 15 . 1 . 1 4 4 GLY C C 13 174.321 0.03 . 1 . . . . . -2 GLY C . 26345 1 16 . 1 . 1 4 4 GLY CA C 13 45.573 0.2 . 1 . . . . . -2 GLY CA . 26345 1 17 . 1 . 1 4 4 GLY N N 15 109.847 0.05 . 1 . . . . . -2 GLY N . 26345 1 18 . 1 . 1 5 5 SER H H 1 8.186 0.01 . 1 . . . . . -1 SER H . 26345 1 19 . 1 . 1 5 5 SER C C 13 174.823 0.03 . 1 . . . . . -1 SER C . 26345 1 20 . 1 . 1 5 5 SER CA C 13 58.538 0.2 . 1 . . . . . -1 SER CA . 26345 1 21 . 1 . 1 5 5 SER CB C 13 63.990 0.2 . 1 . . . . . -1 SER CB . 26345 1 22 . 1 . 1 5 5 SER N N 15 115.606 0.05 . 1 . . . . . -1 SER N . 26345 1 23 . 1 . 1 7 7 ALA C C 13 177.487 0.03 . 1 . . . . . 2 ALA C . 26345 1 24 . 1 . 1 7 7 ALA CA C 13 52.797 0.2 . 1 . . . . . 2 ALA CA . 26345 1 25 . 1 . 1 7 7 ALA CB C 13 19.526 0.2 . 1 . . . . . 2 ALA CB . 26345 1 26 . 1 . 1 8 8 GLU H H 1 8.235 0.01 . 1 . . . . . 3 GLU H . 26345 1 27 . 1 . 1 8 8 GLU C C 13 175.782 0.03 . 1 . . . . . 3 GLU C . 26345 1 28 . 1 . 1 8 8 GLU CA C 13 56.290 0.2 . 1 . . . . . 3 GLU CA . 26345 1 29 . 1 . 1 8 8 GLU CB C 13 30.762 0.2 . 1 . . . . . 3 GLU CB . 26345 1 30 . 1 . 1 8 8 GLU CG C 13 36.951 0.2 . 1 . . . . . 3 GLU CG . 26345 1 31 . 1 . 1 8 8 GLU N N 15 119.937 0.05 . 1 . . . . . 3 GLU N . 26345 1 32 . 1 . 1 9 9 ALA H H 1 8.259 0.01 . 1 . . . . . 4 ALA H . 26345 1 33 . 1 . 1 9 9 ALA C C 13 175.343 0.03 . 1 . . . . . 4 ALA C . 26345 1 34 . 1 . 1 9 9 ALA CA C 13 50.465 0.2 . 1 . . . . . 4 ALA CA . 26345 1 35 . 1 . 1 9 9 ALA CB C 13 18.251 0.2 . 1 . . . . . 4 ALA CB . 26345 1 36 . 1 . 1 9 9 ALA N N 15 126.534 0.05 . 1 . . . . . 4 ALA N . 26345 1 37 . 1 . 1 10 10 PRO C C 13 176.610 0.03 . 1 . . . . . 5 PRO C . 26345 1 38 . 1 . 1 10 10 PRO CA C 13 63.079 0.2 . 1 . . . . . 5 PRO CA . 26345 1 39 . 1 . 1 10 10 PRO CB C 13 32.294 0.2 . 1 . . . . . 5 PRO CB . 26345 1 40 . 1 . 1 10 10 PRO CD C 13 51.144 0.2 . 1 . . . . . 5 PRO CD . 26345 1 41 . 1 . 1 11 11 ALA H H 1 8.374 0.01 . 1 . . . . . 6 ALA H . 26345 1 42 . 1 . 1 11 11 ALA C C 13 177.650 0.03 . 1 . . . . . 6 ALA C . 26345 1 43 . 1 . 1 11 11 ALA CA C 13 52.492 0.2 . 1 . . . . . 6 ALA CA . 26345 1 44 . 1 . 1 11 11 ALA CB C 13 19.494 0.2 . 1 . . . . . 6 ALA CB . 26345 1 45 . 1 . 1 11 11 ALA N N 15 124.505 0.05 . 1 . . . . . 6 ALA N . 26345 1 46 . 1 . 1 12 12 SER H H 1 8.258 0.01 . 1 . . . . . 7 SER H . 26345 1 47 . 1 . 1 12 12 SER C C 13 179.537 0.03 . 1 . . . . . 7 SER C . 26345 1 48 . 1 . 1 12 12 SER CA C 13 59.284 0.2 . 1 . . . . . 7 SER CA . 26345 1 49 . 1 . 1 12 12 SER CB C 13 63.561 0.2 . 1 . . . . . 7 SER CB . 26345 1 50 . 1 . 1 12 12 SER N N 15 116.425 0.05 . 1 . . . . . 7 SER N . 26345 1 51 . 1 . 1 15 15 PRO C C 13 176.827 0.03 . 1 . . . . . 10 PRO C . 26345 1 52 . 1 . 1 15 15 PRO CA C 13 63.069 0.2 . 1 . . . . . 10 PRO CA . 26345 1 53 . 1 . 1 15 15 PRO CB C 13 32.257 0.2 . 1 . . . . . 10 PRO CB . 26345 1 54 . 1 . 1 15 15 PRO CD C 13 51.117 0.2 . 1 . . . . . 10 PRO CD . 26345 1 55 . 1 . 1 15 15 PRO CG C 13 28.068 0.2 . 1 . . . . . 10 PRO CG . 26345 1 56 . 1 . 1 16 16 LEU H H 1 8.298 0.01 . 1 . . . . . 11 LEU H . 26345 1 57 . 1 . 1 16 16 LEU C C 13 177.326 0.03 . 1 . . . . . 11 LEU C . 26345 1 58 . 1 . 1 16 16 LEU CA C 13 55.336 0.2 . 1 . . . . . 11 LEU CA . 26345 1 59 . 1 . 1 16 16 LEU CB C 13 42.723 0.2 . 1 . . . . . 11 LEU CB . 26345 1 60 . 1 . 1 16 16 LEU CD1 C 13 22.950 0.2 . 2 . . . . . 11 LEU CD1 . 26345 1 61 . 1 . 1 16 16 LEU CD2 C 13 21.638 0.2 . 2 . . . . . 11 LEU CD2 . 26345 1 62 . 1 . 1 16 16 LEU CG C 13 27.747 0.2 . 1 . . . . . 11 LEU CG . 26345 1 63 . 1 . 1 16 16 LEU N N 15 122.367 0.05 . 1 . . . . . 11 LEU N . 26345 1 64 . 1 . 1 17 17 SER H H 1 8.295 0.01 . 1 . . . . . 12 SER H . 26345 1 65 . 1 . 1 17 17 SER C C 13 172.901 0.03 . 1 . . . . . 12 SER C . 26345 1 66 . 1 . 1 17 17 SER CA C 13 56.256 0.2 . 1 . . . . . 12 SER CA . 26345 1 67 . 1 . 1 17 17 SER CB C 13 63.581 0.2 . 1 . . . . . 12 SER CB . 26345 1 68 . 1 . 1 17 17 SER N N 15 117.883 0.05 . 1 . . . . . 12 SER N . 26345 1 69 . 1 . 1 18 18 PRO C C 13 176.882 0.03 . 1 . . . . . 13 PRO C . 26345 1 70 . 1 . 1 18 18 PRO CA C 13 63.581 0.2 . 1 . . . . . 13 PRO CA . 26345 1 71 . 1 . 1 18 18 PRO CB C 13 32.304 0.2 . 1 . . . . . 13 PRO CB . 26345 1 72 . 1 . 1 18 18 PRO CD C 13 51.442 0.2 . 1 . . . . . 13 PRO CD . 26345 1 73 . 1 . 1 18 18 PRO CG C 13 28.014 0.2 . 1 . . . . . 13 PRO CG . 26345 1 74 . 1 . 1 19 19 LEU H H 1 8.149 0.01 . 1 . . . . . 14 LEU H . 26345 1 75 . 1 . 1 19 19 LEU C C 13 177.500 0.03 . 1 . . . . . 14 LEU C . 26345 1 76 . 1 . 1 19 19 LEU CA C 13 55.603 0.2 . 1 . . . . . 14 LEU CA . 26345 1 77 . 1 . 1 19 19 LEU CB C 13 42.588 0.2 . 1 . . . . . 14 LEU CB . 26345 1 78 . 1 . 1 19 19 LEU CD1 C 13 22.881 0.2 . 2 . . . . . 14 LEU CD1 . 26345 1 79 . 1 . 1 19 19 LEU CD2 C 13 21.638 0.2 . 2 . . . . . 14 LEU CD2 . 26345 1 80 . 1 . 1 19 19 LEU CG C 13 27.880 0.2 . 1 . . . . . 14 LEU CG . 26345 1 81 . 1 . 1 19 19 LEU N N 15 121.112 0.05 . 1 . . . . . 14 LEU N . 26345 1 82 . 1 . 1 20 20 GLU H H 1 8.228 0.01 . 1 . . . . . 15 GLU H . 26345 1 83 . 1 . 1 20 20 GLU C C 13 176.315 0.03 . 1 . . . . . 15 GLU C . 26345 1 84 . 1 . 1 20 20 GLU CA C 13 56.798 0.2 . 1 . . . . . 15 GLU CA . 26345 1 85 . 1 . 1 20 20 GLU CB C 13 30.505 0.2 . 1 . . . . . 15 GLU CB . 26345 1 86 . 1 . 1 20 20 GLU CG C 13 37.078 0.2 . 1 . . . . . 15 GLU CG . 26345 1 87 . 1 . 1 20 20 GLU N N 15 121.361 0.05 . 1 . . . . . 15 GLU N . 26345 1 88 . 1 . 1 21 21 VAL H H 1 7.915 0.01 . 1 . . . . . 16 VAL H . 26345 1 89 . 1 . 1 21 21 VAL C C 13 175.803 0.03 . 1 . . . . . 16 VAL C . 26345 1 90 . 1 . 1 21 21 VAL CA C 13 62.319 0.2 . 1 . . . . . 16 VAL CA . 26345 1 91 . 1 . 1 21 21 VAL CB C 13 33.291 0.2 . 1 . . . . . 16 VAL CB . 26345 1 92 . 1 . 1 21 21 VAL CG1 C 13 19.205 0.2 . 2 . . . . . 16 VAL CG1 . 26345 1 93 . 1 . 1 21 21 VAL CG2 C 13 18.536 0.2 . 2 . . . . . 16 VAL CG2 . 26345 1 94 . 1 . 1 21 21 VAL N N 15 120.065 0.05 . 1 . . . . . 16 VAL N . 26345 1 95 . 1 . 1 22 22 GLU H H 1 8.351 0.01 . 1 . . . . . 17 GLU H . 26345 1 96 . 1 . 1 22 22 GLU C C 13 176.068 0.03 . 1 . . . . . 17 GLU C . 26345 1 97 . 1 . 1 22 22 GLU CA C 13 56.524 0.2 . 1 . . . . . 17 GLU CA . 26345 1 98 . 1 . 1 22 22 GLU CB C 13 30.458 0.2 . 1 . . . . . 17 GLU CB . 26345 1 99 . 1 . 1 22 22 GLU CG C 13 36.955 0.2 . 1 . . . . . 17 GLU CG . 26345 1 100 . 1 . 1 22 22 GLU N N 15 124.192 0.05 . 1 . . . . . 17 GLU N . 26345 1 101 . 1 . 1 23 23 LEU H H 1 8.179 0.01 . 1 . . . . . 18 LEU H . 26345 1 102 . 1 . 1 23 23 LEU C C 13 176.715 0.03 . 1 . . . . . 18 LEU C . 26345 1 103 . 1 . 1 23 23 LEU CA C 13 54.933 0.2 . 1 . . . . . 18 LEU CA . 26345 1 104 . 1 . 1 23 23 LEU CB C 13 42.965 0.2 . 1 . . . . . 18 LEU CB . 26345 1 105 . 1 . 1 23 23 LEU CD1 C 13 23.048 0.2 . 2 . . . . . 18 LEU CD1 . 26345 1 106 . 1 . 1 23 23 LEU CD2 C 13 21.480 0.2 . 2 . . . . . 18 LEU CD2 . 26345 1 107 . 1 . 1 23 23 LEU CG C 13 27.517 0.2 . 1 . . . . . 18 LEU CG . 26345 1 108 . 1 . 1 23 23 LEU N N 15 123.675 0.05 . 1 . . . . . 18 LEU N . 26345 1 109 . 1 . 1 24 24 ASP H H 1 8.317 0.01 . 1 . . . . . 19 ASP H . 26345 1 110 . 1 . 1 24 24 ASP C C 13 174.899 0.03 . 1 . . . . . 19 ASP C . 26345 1 111 . 1 . 1 24 24 ASP CA C 13 52.407 0.2 . 1 . . . . . 19 ASP CA . 26345 1 112 . 1 . 1 24 24 ASP CB C 13 41.320 0.2 . 1 . . . . . 19 ASP CB . 26345 1 113 . 1 . 1 24 24 ASP N N 15 123.039 0.05 . 1 . . . . . 19 ASP N . 26345 1 114 . 1 . 1 25 25 PRO C C 13 177.274 0.03 . 1 . . . . . 20 PRO C . 26345 1 115 . 1 . 1 25 25 PRO CA C 13 63.834 0.2 . 1 . . . . . 20 PRO CA . 26345 1 116 . 1 . 1 25 25 PRO CB C 13 32.380 0.2 . 1 . . . . . 20 PRO CB . 26345 1 117 . 1 . 1 25 25 PRO CD C 13 51.526 0.2 . 1 . . . . . 20 PRO CD . 26345 1 118 . 1 . 1 25 25 PRO CG C 13 27.920 0.2 . 1 . . . . . 20 PRO CG . 26345 1 119 . 1 . 1 26 26 GLU H H 1 8.457 0.01 . 1 . . . . . 21 GLU H . 26345 1 120 . 1 . 1 26 26 GLU C C 13 176.314 0.03 . 1 . . . . . 21 GLU C . 26345 1 121 . 1 . 1 26 26 GLU CA C 13 56.931 0.2 . 1 . . . . . 21 GLU CA . 26345 1 122 . 1 . 1 26 26 GLU CB C 13 30.124 0.2 . 1 . . . . . 21 GLU CB . 26345 1 123 . 1 . 1 26 26 GLU CG C 13 37.000 0.2 . 1 . . . . . 21 GLU CG . 26345 1 124 . 1 . 1 26 26 GLU N N 15 119.234 0.05 . 1 . . . . . 21 GLU N . 26345 1 125 . 1 . 1 27 27 PHE H H 1 7.941 0.01 . 1 . . . . . 22 PHE H . 26345 1 126 . 1 . 1 27 27 PHE C C 13 175.219 0.03 . 1 . . . . . 22 PHE C . 26345 1 127 . 1 . 1 27 27 PHE CA C 13 57.920 0.2 . 1 . . . . . 22 PHE CA . 26345 1 128 . 1 . 1 27 27 PHE CB C 13 40.039 0.2 . 1 . . . . . 22 PHE CB . 26345 1 129 . 1 . 1 27 27 PHE N N 15 120.039 0.05 . 1 . . . . . 22 PHE N . 26345 1 130 . 1 . 1 28 28 GLU H H 1 8.087 0.01 . 1 . . . . . 23 GLU H . 26345 1 131 . 1 . 1 28 28 GLU C C 13 174.256 0.03 . 1 . . . . . 23 GLU C . 26345 1 132 . 1 . 1 28 28 GLU CA C 13 54.317 0.2 . 1 . . . . . 23 GLU CA . 26345 1 133 . 1 . 1 28 28 GLU CB C 13 30.061 0.2 . 1 . . . . . 23 GLU CB . 26345 1 134 . 1 . 1 28 28 GLU N N 15 124.020 0.05 . 1 . . . . . 23 GLU N . 26345 1 135 . 1 . 1 29 29 PRO C C 13 177.371 0.03 . 1 . . . . . 24 PRO C . 26345 1 136 . 1 . 1 29 29 PRO CA C 13 63.836 0.2 . 1 . . . . . 24 PRO CA . 26345 1 137 . 1 . 1 29 29 PRO CB C 13 32.249 0.2 . 1 . . . . . 24 PRO CB . 26345 1 138 . 1 . 1 29 29 PRO CD C 13 51.399 0.2 . 1 . . . . . 24 PRO CD . 26345 1 139 . 1 . 1 29 29 PRO CG C 13 28.103 0.2 . 1 . . . . . 24 PRO CG . 26345 1 140 . 1 . 1 30 30 GLN H H 1 8.545 0.01 . 1 . . . . . 25 GLN H . 26345 1 141 . 1 . 1 30 30 GLN C C 13 176.194 0.03 . 1 . . . . . 25 GLN C . 26345 1 142 . 1 . 1 30 30 GLN CA C 13 56.321 0.2 . 1 . . . . . 25 GLN CA . 26345 1 143 . 1 . 1 30 30 GLN CB C 13 29.386 0.2 . 1 . . . . . 25 GLN CB . 26345 1 144 . 1 . 1 30 30 GLN CG C 13 34.620 0.2 . 1 . . . . . 25 GLN CG . 26345 1 145 . 1 . 1 30 30 GLN N N 15 119.098 0.05 . 1 . . . . . 25 GLN N . 26345 1 146 . 1 . 1 31 31 SER H H 1 8.190 0.01 . 1 . . . . . 26 SER H . 26345 1 147 . 1 . 1 31 31 SER C C 13 174.095 0.03 . 1 . . . . . 26 SER C . 26345 1 148 . 1 . 1 31 31 SER CA C 13 58.528 0.2 . 1 . . . . . 26 SER CA . 26345 1 149 . 1 . 1 31 31 SER CB C 13 63.996 0.2 . 1 . . . . . 26 SER CB . 26345 1 150 . 1 . 1 31 31 SER N N 15 116.120 0.05 . 1 . . . . . 26 SER N . 26345 1 151 . 1 . 1 32 32 ARG H H 1 8.101 0.01 . 1 . . . . . 27 ARG H . 26345 1 152 . 1 . 1 32 32 ARG C C 13 173.966 0.03 . 1 . . . . . 27 ARG C . 26345 1 153 . 1 . 1 32 32 ARG CA C 13 54.094 0.2 . 1 . . . . . 27 ARG CA . 26345 1 154 . 1 . 1 32 32 ARG CB C 13 30.354 0.2 . 1 . . . . . 27 ARG CB . 26345 1 155 . 1 . 1 32 32 ARG N N 15 123.326 0.05 . 1 . . . . . 27 ARG N . 26345 1 156 . 1 . 1 36 36 CYS C C 13 174.413 0.03 . 1 . . . . . 31 CYS C . 26345 1 157 . 1 . 1 36 36 CYS CA C 13 58.622 0.2 . 1 . . . . . 31 CYS CA . 26345 1 158 . 1 . 1 36 36 CYS CB C 13 28.260 0.2 . 1 . . . . . 31 CYS CB . 26345 1 159 . 1 . 1 37 37 THR H H 1 8.027 0.01 . 1 . . . . . 32 THR H . 26345 1 160 . 1 . 1 37 37 THR C C 13 173.836 0.03 . 1 . . . . . 32 THR C . 26345 1 161 . 1 . 1 37 37 THR CA C 13 61.993 0.2 . 1 . . . . . 32 THR CA . 26345 1 162 . 1 . 1 37 37 THR CB C 13 69.886 0.2 . 1 . . . . . 32 THR CB . 26345 1 163 . 1 . 1 37 37 THR CG2 C 13 22.334 0.2 . 1 . . . . . 32 THR CG2 . 26345 1 164 . 1 . 1 37 37 THR N N 15 115.984 0.05 . 1 . . . . . 32 THR N . 26345 1 165 . 1 . 1 38 38 TRP H H 1 8.052 0.01 . 1 . . . . . 33 TRP H . 26345 1 166 . 1 . 1 38 38 TRP C C 13 174.306 0.03 . 1 . . . . . 33 TRP C . 26345 1 167 . 1 . 1 38 38 TRP CA C 13 55.053 0.2 . 1 . . . . . 33 TRP CA . 26345 1 168 . 1 . 1 38 38 TRP CB C 13 29.158 0.2 . 1 . . . . . 33 TRP CB . 26345 1 169 . 1 . 1 38 38 TRP N N 15 124.524 0.05 . 1 . . . . . 33 TRP N . 26345 1 170 . 1 . 1 39 39 PRO C C 13 175.732 0.03 . 1 . . . . . 34 PRO C . 26345 1 171 . 1 . 1 39 39 PRO CA C 13 62.709 0.2 . 1 . . . . . 34 PRO CA . 26345 1 172 . 1 . 1 39 39 PRO CB C 13 34.011 0.2 . 1 . . . . . 34 PRO CB . 26345 1 173 . 1 . 1 39 39 PRO CD C 13 50.731 0.2 . 1 . . . . . 34 PRO CD . 26345 1 174 . 1 . 1 39 39 PRO CG C 13 25.323 0.2 . 1 . . . . . 34 PRO CG . 26345 1 175 . 1 . 1 40 40 LEU H H 1 8.028 0.01 . 1 . . . . . 35 LEU H . 26345 1 176 . 1 . 1 40 40 LEU C C 13 177.262 0.03 . 1 . . . . . 35 LEU C . 26345 1 177 . 1 . 1 40 40 LEU CA C 13 55.781 0.2 . 1 . . . . . 35 LEU CA . 26345 1 178 . 1 . 1 40 40 LEU CB C 13 42.551 0.2 . 1 . . . . . 35 LEU CB . 26345 1 179 . 1 . 1 40 40 LEU CD1 C 13 22.988 0.2 . 2 . . . . . 35 LEU CD1 . 26345 1 180 . 1 . 1 40 40 LEU CD2 C 13 21.711 0.2 . 2 . . . . . 35 LEU CD2 . 26345 1 181 . 1 . 1 40 40 LEU CG C 13 27.797 0.2 . 1 . . . . . 35 LEU CG . 26345 1 182 . 1 . 1 40 40 LEU N N 15 122.223 0.05 . 1 . . . . . 35 LEU N . 26345 1 183 . 1 . 1 41 41 GLN H H 1 8.269 0.01 . 1 . . . . . 36 GLN H . 26345 1 184 . 1 . 1 41 41 GLN C C 13 175.437 0.03 . 1 . . . . . 36 GLN C . 26345 1 185 . 1 . 1 41 41 GLN CA C 13 55.812 0.2 . 1 . . . . . 36 GLN CA . 26345 1 186 . 1 . 1 41 41 GLN CB C 13 29.850 0.2 . 1 . . . . . 36 GLN CB . 26345 1 187 . 1 . 1 41 41 GLN CG C 13 34.522 0.2 . 1 . . . . . 36 GLN CG . 26345 1 188 . 1 . 1 41 41 GLN N N 15 120.862 0.05 . 1 . . . . . 36 GLN N . 26345 1 189 . 1 . 1 42 42 ARG H H 1 8.302 0.01 . 1 . . . . . 37 ARG H . 26345 1 190 . 1 . 1 42 42 ARG C C 13 174.384 0.03 . 1 . . . . . 37 ARG C . 26345 1 191 . 1 . 1 42 42 ARG CA C 13 55.610 0.2 . 1 . . . . . 37 ARG CA . 26345 1 192 . 1 . 1 42 42 ARG CB C 13 30.144 0.2 . 1 . . . . . 37 ARG CB . 26345 1 193 . 1 . 1 42 42 ARG N N 15 123.208 0.05 . 1 . . . . . 37 ARG N . 26345 1 194 . 1 . 1 45 45 LEU C C 13 177.217 0.03 . 1 . . . . . 40 LEU C . 26345 1 195 . 1 . 1 45 45 LEU CA C 13 55.362 0.2 . 1 . . . . . 40 LEU CA . 26345 1 196 . 1 . 1 45 45 LEU CB C 13 42.519 0.2 . 1 . . . . . 40 LEU CB . 26345 1 197 . 1 . 1 45 45 LEU CD1 C 13 23.039 0.2 . 2 . . . . . 40 LEU CD1 . 26345 1 198 . 1 . 1 45 45 LEU CD2 C 13 21.394 0.2 . 2 . . . . . 40 LEU CD2 . 26345 1 199 . 1 . 1 45 45 LEU CG C 13 27.742 0.2 . 1 . . . . . 40 LEU CG . 26345 1 200 . 1 . 1 46 46 GLN H H 1 8.185 0.01 . 1 . . . . . 41 GLN H . 26345 1 201 . 1 . 1 46 46 GLN C C 13 175.443 0.03 . 1 . . . . . 41 GLN C . 26345 1 202 . 1 . 1 46 46 GLN CA C 13 55.837 0.2 . 1 . . . . . 41 GLN CA . 26345 1 203 . 1 . 1 46 46 GLN CB C 13 29.749 0.2 . 1 . . . . . 41 GLN CB . 26345 1 204 . 1 . 1 46 46 GLN CG C 13 34.536 0.2 . 1 . . . . . 41 GLN CG . 26345 1 205 . 1 . 1 46 46 GLN N N 15 120.886 0.05 . 1 . . . . . 41 GLN N . 26345 1 206 . 1 . 1 47 47 ALA H H 1 8.254 0.01 . 1 . . . . . 42 ALA H . 26345 1 207 . 1 . 1 47 47 ALA C C 13 177.425 0.03 . 1 . . . . . 42 ALA C . 26345 1 208 . 1 . 1 47 47 ALA CA C 13 52.514 0.2 . 1 . . . . . 42 ALA CA . 26345 1 209 . 1 . 1 47 47 ALA CB C 13 19.627 0.2 . 1 . . . . . 42 ALA CB . 26345 1 210 . 1 . 1 47 47 ALA N N 15 125.427 0.05 . 1 . . . . . 42 ALA N . 26345 1 211 . 1 . 1 48 48 SER H H 1 8.291 0.01 . 1 . . . . . 43 SER H . 26345 1 212 . 1 . 1 48 48 SER C C 13 179.698 0.03 . 1 . . . . . 43 SER C . 26345 1 213 . 1 . 1 48 48 SER CA C 13 56.445 0.2 . 1 . . . . . 43 SER CA . 26345 1 214 . 1 . 1 48 48 SER CB C 13 63.496 0.2 . 1 . . . . . 43 SER CB . 26345 1 215 . 1 . 1 48 48 SER N N 15 116.648 0.05 . 1 . . . . . 43 SER N . 26345 1 216 . 1 . 1 49 49 PRO C C 13 176.527 0.03 . 1 . . . . . 44 PRO C . 26345 1 217 . 1 . 1 49 49 PRO CA C 13 63.278 0.2 . 1 . . . . . 44 PRO CA . 26345 1 218 . 1 . 1 49 49 PRO CB C 13 32.319 0.2 . 1 . . . . . 44 PRO CB . 26345 1 219 . 1 . 1 49 49 PRO CD C 13 51.377 0.2 . 1 . . . . . 44 PRO CD . 26345 1 220 . 1 . 1 49 49 PRO CG C 13 28.126 0.2 . 1 . . . . . 44 PRO CG . 26345 1 221 . 1 . 1 50 50 ALA H H 1 8.289 0.01 . 1 . . . . . 45 ALA H . 26345 1 222 . 1 . 1 50 50 ALA C C 13 177.473 0.03 . 1 . . . . . 45 ALA C . 26345 1 223 . 1 . 1 50 50 ALA CA C 13 52.459 0.2 . 1 . . . . . 45 ALA CA . 26345 1 224 . 1 . 1 50 50 ALA CB C 13 19.461 0.2 . 1 . . . . . 45 ALA CB . 26345 1 225 . 1 . 1 50 50 ALA N N 15 124.322 0.05 . 1 . . . . . 45 ALA N . 26345 1 226 . 1 . 1 51 51 LYS H H 1 8.242 0.01 . 1 . . . . . 46 LYS H . 26345 1 227 . 1 . 1 51 51 LYS C C 13 174.626 0.03 . 1 . . . . . 46 LYS C . 26345 1 228 . 1 . 1 51 51 LYS CA C 13 54.058 0.2 . 1 . . . . . 46 LYS CA . 26345 1 229 . 1 . 1 51 51 LYS CB C 13 32.707 0.2 . 1 . . . . . 46 LYS CB . 26345 1 230 . 1 . 1 51 51 LYS N N 15 121.839 0.05 . 1 . . . . . 46 LYS N . 26345 1 231 . 1 . 1 52 52 PRO C C 13 177.065 0.03 . 1 . . . . . 47 PRO C . 26345 1 232 . 1 . 1 52 52 PRO CA C 13 63.450 0.2 . 1 . . . . . 47 PRO CA . 26345 1 233 . 1 . 1 52 52 PRO CB C 13 32.332 0.2 . 1 . . . . . 47 PRO CB . 26345 1 234 . 1 . 1 53 53 SER H H 1 8.446 0.01 . 1 . . . . . 48 SER H . 26345 1 235 . 1 . 1 53 53 SER C C 13 175.222 0.03 . 1 . . . . . 48 SER C . 26345 1 236 . 1 . 1 53 53 SER CA C 13 58.729 0.2 . 1 . . . . . 48 SER CA . 26345 1 237 . 1 . 1 53 53 SER CB C 13 64.047 0.2 . 1 . . . . . 48 SER CB . 26345 1 238 . 1 . 1 53 53 SER N N 15 116.274 0.05 . 1 . . . . . 48 SER N . 26345 1 239 . 1 . 1 54 54 GLY H H 1 8.401 0.01 . 1 . . . . . 49 GLY H . 26345 1 240 . 1 . 1 54 54 GLY C C 13 174.195 0.03 . 1 . . . . . 49 GLY C . 26345 1 241 . 1 . 1 54 54 GLY CA C 13 45.585 0.2 . 1 . . . . . 49 GLY CA . 26345 1 242 . 1 . 1 54 54 GLY N N 15 110.626 0.05 . 1 . . . . . 49 GLY N . 26345 1 243 . 1 . 1 55 55 GLU H H 1 8.301 0.01 . 1 . . . . . 50 GLU H . 26345 1 244 . 1 . 1 55 55 GLU C C 13 176.794 0.03 . 1 . . . . . 50 GLU C . 26345 1 245 . 1 . 1 55 55 GLU CA C 13 56.875 0.2 . 1 . . . . . 50 GLU CA . 26345 1 246 . 1 . 1 55 55 GLU CB C 13 30.631 0.2 . 1 . . . . . 50 GLU CB . 26345 1 247 . 1 . 1 55 55 GLU CG C 13 36.966 0.2 . 1 . . . . . 50 GLU CG . 26345 1 248 . 1 . 1 55 55 GLU N N 15 120.614 0.05 . 1 . . . . . 50 GLU N . 26345 1 249 . 1 . 1 56 56 THR H H 1 8.226 0.01 . 1 . . . . . 51 THR H . 26345 1 250 . 1 . 1 56 56 THR C C 13 174.345 0.03 . 1 . . . . . 51 THR C . 26345 1 251 . 1 . 1 56 56 THR CA C 13 61.893 0.2 . 1 . . . . . 51 THR CA . 26345 1 252 . 1 . 1 56 56 THR CB C 13 70.261 0.2 . 1 . . . . . 51 THR CB . 26345 1 253 . 1 . 1 56 56 THR CG2 C 13 22.328 0.2 . 1 . . . . . 51 THR CG2 . 26345 1 254 . 1 . 1 56 56 THR N N 15 115.398 0.05 . 1 . . . . . 51 THR N . 26345 1 255 . 1 . 1 57 57 ALA H H 1 8.370 0.01 . 1 . . . . . 52 ALA H . 26345 1 256 . 1 . 1 57 57 ALA C C 13 177.624 0.03 . 1 . . . . . 52 ALA C . 26345 1 257 . 1 . 1 57 57 ALA CA C 13 52.737 0.2 . 1 . . . . . 52 ALA CA . 26345 1 258 . 1 . 1 57 57 ALA CB C 13 19.441 0.2 . 1 . . . . . 52 ALA CB . 26345 1 259 . 1 . 1 57 57 ALA N N 15 126.915 0.05 . 1 . . . . . 52 ALA N . 26345 1 260 . 1 . 1 58 58 ALA H H 1 8.277 0.01 . 1 . . . . . 53 ALA H . 26345 1 261 . 1 . 1 58 58 ALA C C 13 177.747 0.03 . 1 . . . . . 53 ALA C . 26345 1 262 . 1 . 1 58 58 ALA CA C 13 52.971 0.2 . 1 . . . . . 53 ALA CA . 26345 1 263 . 1 . 1 58 58 ALA CB C 13 19.412 0.2 . 1 . . . . . 53 ALA CB . 26345 1 264 . 1 . 1 58 58 ALA N N 15 123.468 0.05 . 1 . . . . . 53 ALA N . 26345 1 265 . 1 . 1 59 59 ASP H H 1 8.219 0.01 . 1 . . . . . 54 ASP H . 26345 1 266 . 1 . 1 59 59 ASP C C 13 176.368 0.03 . 1 . . . . . 54 ASP C . 26345 1 267 . 1 . 1 59 59 ASP CA C 13 54.659 0.2 . 1 . . . . . 54 ASP CA . 26345 1 268 . 1 . 1 59 59 ASP CB C 13 41.315 0.2 . 1 . . . . . 54 ASP CB . 26345 1 269 . 1 . 1 59 59 ASP N N 15 118.939 0.05 . 1 . . . . . 54 ASP N . 26345 1 270 . 1 . 1 60 60 SER H H 1 8.078 0.01 . 1 . . . . . 55 SER H . 26345 1 271 . 1 . 1 60 60 SER C C 13 174.268 0.03 . 1 . . . . . 55 SER C . 26345 1 272 . 1 . 1 60 60 SER CA C 13 58.498 0.2 . 1 . . . . . 55 SER CA . 26345 1 273 . 1 . 1 60 60 SER CB C 13 64.056 0.2 . 1 . . . . . 55 SER CB . 26345 1 274 . 1 . 1 60 60 SER N N 15 115.345 0.05 . 1 . . . . . 55 SER N . 26345 1 275 . 1 . 1 72 72 GLU C C 13 176.778 0.03 . 1 . . . . . 67 GLU C . 26345 1 276 . 1 . 1 72 72 GLU CA C 13 57.448 0.2 . 1 . . . . . 67 GLU CA . 26345 1 277 . 1 . 1 72 72 GLU CB C 13 30.317 0.2 . 1 . . . . . 67 GLU CB . 26345 1 278 . 1 . 1 72 72 GLU CG C 13 36.859 0.2 . 1 . . . . . 67 GLU CG . 26345 1 279 . 1 . 1 73 73 ASP H H 1 8.399 0.01 . 1 . . . . . 68 ASP H . 26345 1 280 . 1 . 1 73 73 ASP C C 13 177.177 0.03 . 1 . . . . . 68 ASP C . 26345 1 281 . 1 . 1 73 73 ASP CA C 13 54.788 0.2 . 1 . . . . . 68 ASP CA . 26345 1 282 . 1 . 1 73 73 ASP CB C 13 41.470 0.2 . 1 . . . . . 68 ASP CB . 26345 1 283 . 1 . 1 73 73 ASP N N 15 120.712 0.05 . 1 . . . . . 68 ASP N . 26345 1 284 . 1 . 1 74 74 GLY H H 1 8.348 0.01 . 1 . . . . . 69 GLY H . 26345 1 285 . 1 . 1 74 74 GLY C C 13 175.448 0.03 . 1 . . . . . 69 GLY C . 26345 1 286 . 1 . 1 74 74 GLY CA C 13 46.133 0.2 . 1 . . . . . 69 GLY CA . 26345 1 287 . 1 . 1 74 74 GLY N N 15 109.725 0.05 . 1 . . . . . 69 GLY N . 26345 1 288 . 1 . 1 75 75 GLY H H 1 8.398 0.01 . 1 . . . . . 70 GLY H . 26345 1 289 . 1 . 1 75 75 GLY C C 13 175.162 0.03 . 1 . . . . . 70 GLY C . 26345 1 290 . 1 . 1 75 75 GLY CA C 13 45.837 0.2 . 1 . . . . . 70 GLY CA . 26345 1 291 . 1 . 1 75 75 GLY N N 15 108.988 0.05 . 1 . . . . . 70 GLY N . 26345 1 292 . 1 . 1 76 76 GLY H H 1 8.366 0.01 . 1 . . . . . 71 GLY H . 26345 1 293 . 1 . 1 76 76 GLY C C 13 174.658 0.03 . 1 . . . . . 71 GLY C . 26345 1 294 . 1 . 1 76 76 GLY CA C 13 45.774 0.2 . 1 . . . . . 71 GLY CA . 26345 1 295 . 1 . 1 76 76 GLY N N 15 109.055 0.05 . 1 . . . . . 71 GLY N . 26345 1 296 . 1 . 1 77 77 ARG H H 1 8.195 0.01 . 1 . . . . . 72 ARG H . 26345 1 297 . 1 . 1 77 77 ARG C C 13 176.580 0.03 . 1 . . . . . 72 ARG C . 26345 1 298 . 1 . 1 77 77 ARG CA C 13 56.485 0.2 . 1 . . . . . 72 ARG CA . 26345 1 299 . 1 . 1 77 77 ARG CB C 13 30.894 0.2 . 1 . . . . . 72 ARG CB . 26345 1 300 . 1 . 1 77 77 ARG CD C 13 44.046 0.2 . 1 . . . . . 72 ARG CD . 26345 1 301 . 1 . 1 77 77 ARG CG C 13 27.990 0.2 . 1 . . . . . 72 ARG CG . 26345 1 302 . 1 . 1 77 77 ARG N N 15 120.549 0.05 . 1 . . . . . 72 ARG N . 26345 1 303 . 1 . 1 78 78 ALA H H 1 8.370 0.01 . 1 . . . . . 73 ALA H . 26345 1 304 . 1 . 1 78 78 ALA C C 13 178.439 0.03 . 1 . . . . . 73 ALA C . 26345 1 305 . 1 . 1 78 78 ALA CA C 13 52.942 0.2 . 1 . . . . . 73 ALA CA . 26345 1 306 . 1 . 1 78 78 ALA CB C 13 19.290 0.2 . 1 . . . . . 73 ALA CB . 26345 1 307 . 1 . 1 78 78 ALA N N 15 124.818 0.05 . 1 . . . . . 73 ALA N . 26345 1 308 . 1 . 1 79 79 GLY H H 1 8.340 0.01 . 1 . . . . . 74 GLY H . 26345 1 309 . 1 . 1 79 79 GLY C C 13 174.550 0.03 . 1 . . . . . 74 GLY C . 26345 1 310 . 1 . 1 79 79 GLY CA C 13 45.670 0.2 . 1 . . . . . 74 GLY CA . 26345 1 311 . 1 . 1 79 79 GLY N N 15 108.175 0.05 . 1 . . . . . 74 GLY N . 26345 1 312 . 1 . 1 80 80 SER H H 1 8.131 0.01 . 1 . . . . . 75 SER H . 26345 1 313 . 1 . 1 80 80 SER C C 13 174.619 0.03 . 1 . . . . . 75 SER C . 26345 1 314 . 1 . 1 80 80 SER CA C 13 58.714 0.2 . 1 . . . . . 75 SER CA . 26345 1 315 . 1 . 1 80 80 SER CB C 13 64.152 0.2 . 1 . . . . . 75 SER CB . 26345 1 316 . 1 . 1 80 80 SER N N 15 115.589 0.05 . 1 . . . . . 75 SER N . 26345 1 317 . 1 . 1 81 81 ALA H H 1 8.338 0.01 . 1 . . . . . 76 ALA H . 26345 1 318 . 1 . 1 81 81 ALA C C 13 177.845 0.03 . 1 . . . . . 76 ALA C . 26345 1 319 . 1 . 1 81 81 ALA CA C 13 53.052 0.2 . 1 . . . . . 76 ALA CA . 26345 1 320 . 1 . 1 81 81 ALA CB C 13 19.262 0.2 . 1 . . . . . 76 ALA CB . 26345 1 321 . 1 . 1 81 81 ALA N N 15 125.673 0.05 . 1 . . . . . 76 ALA N . 26345 1 322 . 1 . 1 82 82 MET H H 1 8.154 0.01 . 1 . . . . . 77 MET H . 26345 1 323 . 1 . 1 82 82 MET C C 13 175.981 0.03 . 1 . . . . . 77 MET C . 26345 1 324 . 1 . 1 82 82 MET CA C 13 55.753 0.2 . 1 . . . . . 77 MET CA . 26345 1 325 . 1 . 1 82 82 MET CB C 13 33.197 0.2 . 1 . . . . . 77 MET CB . 26345 1 326 . 1 . 1 82 82 MET CG C 13 34.332 0.2 . 1 . . . . . 77 MET CG . 26345 1 327 . 1 . 1 82 82 MET N N 15 118.788 0.05 . 1 . . . . . 77 MET N . 26345 1 328 . 1 . 1 83 83 ALA H H 1 8.161 0.01 . 1 . . . . . 78 ALA H . 26345 1 329 . 1 . 1 83 83 ALA C C 13 177.710 0.03 . 1 . . . . . 78 ALA C . 26345 1 330 . 1 . 1 83 83 ALA CA C 13 52.628 0.2 . 1 . . . . . 78 ALA CA . 26345 1 331 . 1 . 1 83 83 ALA CB C 13 19.347 0.2 . 1 . . . . . 78 ALA CB . 26345 1 332 . 1 . 1 83 83 ALA N N 15 125.193 0.05 . 1 . . . . . 78 ALA N . 26345 1 333 . 1 . 1 84 84 ILE H H 1 8.085 0.01 . 1 . . . . . 79 ILE H . 26345 1 334 . 1 . 1 84 84 ILE C C 13 177.063 0.03 . 1 . . . . . 79 ILE C . 26345 1 335 . 1 . 1 84 84 ILE CA C 13 61.568 0.2 . 1 . . . . . 79 ILE CA . 26345 1 336 . 1 . 1 84 84 ILE CB C 13 38.937 0.2 . 1 . . . . . 79 ILE CB . 26345 1 337 . 1 . 1 84 84 ILE CG1 C 13 28.079 0.2 . 1 . . . . . 79 ILE CG1 . 26345 1 338 . 1 . 1 84 84 ILE CG2 C 13 18.212 0.2 . 1 . . . . . 79 ILE CG2 . 26345 1 339 . 1 . 1 84 84 ILE N N 15 120.120 0.05 . 1 . . . . . 79 ILE N . 26345 1 340 . 1 . 1 85 85 GLY H H 1 8.463 0.01 . 1 . . . . . 80 GLY H . 26345 1 341 . 1 . 1 85 85 GLY C C 13 174.822 0.03 . 1 . . . . . 80 GLY C . 26345 1 342 . 1 . 1 85 85 GLY CA C 13 45.581 0.2 . 1 . . . . . 80 GLY CA . 26345 1 343 . 1 . 1 85 85 GLY N N 15 112.743 0.05 . 1 . . . . . 80 GLY N . 26345 1 344 . 1 . 1 86 86 GLY H H 1 8.285 0.01 . 1 . . . . . 81 GLY H . 26345 1 345 . 1 . 1 86 86 GLY C C 13 174.970 0.03 . 1 . . . . . 81 GLY C . 26345 1 346 . 1 . 1 86 86 GLY CA C 13 45.376 0.2 . 1 . . . . . 81 GLY CA . 26345 1 347 . 1 . 1 86 86 GLY N N 15 108.751 0.05 . 1 . . . . . 81 GLY N . 26345 1 348 . 1 . 1 88 88 GLY C C 13 174.894 0.03 . 1 . . . . . 83 GLY C . 26345 1 349 . 1 . 1 88 88 GLY CA C 13 45.581 0.2 . 1 . . . . . 83 GLY CA . 26345 1 350 . 1 . 1 89 89 GLY H H 1 8.327 0.01 . 1 . . . . . 84 GLY H . 26345 1 351 . 1 . 1 89 89 GLY C C 13 174.496 0.03 . 1 . . . . . 84 GLY C . 26345 1 352 . 1 . 1 89 89 GLY CA C 13 45.442 0.2 . 1 . . . . . 84 GLY CA . 26345 1 353 . 1 . 1 89 89 GLY N N 15 108.874 0.05 . 1 . . . . . 84 GLY N . 26345 1 354 . 1 . 1 90 90 SER H H 1 8.332 0.01 . 1 . . . . . 85 SER H . 26345 1 355 . 1 . 1 90 90 SER C C 13 175.260 0.03 . 1 . . . . . 85 SER C . 26345 1 356 . 1 . 1 90 90 SER CA C 13 58.858 0.2 . 1 . . . . . 85 SER CA . 26345 1 357 . 1 . 1 90 90 SER CB C 13 64.113 0.2 . 1 . . . . . 85 SER CB . 26345 1 358 . 1 . 1 90 90 SER N N 15 115.647 0.05 . 1 . . . . . 85 SER N . 26345 1 359 . 1 . 1 91 91 GLY H H 1 8.493 0.01 . 1 . . . . . 86 GLY H . 26345 1 360 . 1 . 1 91 91 GLY C C 13 174.456 0.03 . 1 . . . . . 86 GLY C . 26345 1 361 . 1 . 1 91 91 GLY CA C 13 45.668 0.2 . 1 . . . . . 86 GLY CA . 26345 1 362 . 1 . 1 91 91 GLY N N 15 110.914 0.05 . 1 . . . . . 86 GLY N . 26345 1 363 . 1 . 1 92 92 THR H H 1 8.057 0.01 . 1 . . . . . 87 THR H . 26345 1 364 . 1 . 1 92 92 THR C C 13 174.834 0.03 . 1 . . . . . 87 THR C . 26345 1 365 . 1 . 1 92 92 THR CA C 13 62.060 0.2 . 1 . . . . . 87 THR CA . 26345 1 366 . 1 . 1 92 92 THR CB C 13 70.073 0.2 . 1 . . . . . 87 THR CB . 26345 1 367 . 1 . 1 92 92 THR CG2 C 13 22.324 0.2 . 1 . . . . . 87 THR CG2 . 26345 1 368 . 1 . 1 92 92 THR N N 15 113.736 0.05 . 1 . . . . . 87 THR N . 26345 1 369 . 1 . 1 93 93 LEU H H 1 8.318 0.01 . 1 . . . . . 88 LEU H . 26345 1 370 . 1 . 1 93 93 LEU C C 13 177.969 0.03 . 1 . . . . . 88 LEU C . 26345 1 371 . 1 . 1 93 93 LEU CA C 13 55.737 0.2 . 1 . . . . . 88 LEU CA . 26345 1 372 . 1 . 1 93 93 LEU CB C 13 42.537 0.2 . 1 . . . . . 88 LEU CB . 26345 1 373 . 1 . 1 93 93 LEU CD1 C 13 22.920 0.2 . 2 . . . . . 88 LEU CD1 . 26345 1 374 . 1 . 1 93 93 LEU CD2 C 13 21.641 0.2 . 2 . . . . . 88 LEU CD2 . 26345 1 375 . 1 . 1 93 93 LEU CG C 13 27.709 0.2 . 1 . . . . . 88 LEU CG . 26345 1 376 . 1 . 1 93 93 LEU N N 15 124.620 0.05 . 1 . . . . . 88 LEU N . 26345 1 377 . 1 . 1 94 94 GLY H H 1 8.404 0.01 . 1 . . . . . 89 GLY H . 26345 1 378 . 1 . 1 94 94 GLY C C 13 174.360 0.03 . 1 . . . . . 89 GLY C . 26345 1 379 . 1 . 1 94 94 GLY CA C 13 45.624 0.2 . 1 . . . . . 89 GLY CA . 26345 1 380 . 1 . 1 94 94 GLY N N 15 109.855 0.05 . 1 . . . . . 89 GLY N . 26345 1 381 . 1 . 1 95 95 SER H H 1 8.221 0.01 . 1 . . . . . 90 SER H . 26345 1 382 . 1 . 1 95 95 SER C C 13 175.233 0.03 . 1 . . . . . 90 SER C . 26345 1 383 . 1 . 1 95 95 SER CA C 13 58.858 0.2 . 1 . . . . . 90 SER CA . 26345 1 384 . 1 . 1 95 95 SER CB C 13 64.113 0.2 . 1 . . . . . 90 SER CB . 26345 1 385 . 1 . 1 95 95 SER N N 15 115.549 0.05 . 1 . . . . . 90 SER N . 26345 1 386 . 1 . 1 96 96 GLY H H 1 8.473 0.01 . 1 . . . . . 91 GLY H . 26345 1 387 . 1 . 1 96 96 GLY C C 13 173.998 0.03 . 1 . . . . . 91 GLY C . 26345 1 388 . 1 . 1 96 96 GLY CA C 13 45.662 0.2 . 1 . . . . . 91 GLY CA . 26345 1 389 . 1 . 1 96 96 GLY N N 15 110.846 0.05 . 1 . . . . . 91 GLY N . 26345 1 390 . 1 . 1 97 97 LEU H H 1 7.959 0.01 . 1 . . . . . 92 LEU H . 26345 1 391 . 1 . 1 97 97 LEU C C 13 177.061 0.03 . 1 . . . . . 92 LEU C . 26345 1 392 . 1 . 1 97 97 LEU CA C 13 55.423 0.2 . 1 . . . . . 92 LEU CA . 26345 1 393 . 1 . 1 97 97 LEU CB C 13 42.766 0.2 . 1 . . . . . 92 LEU CB . 26345 1 394 . 1 . 1 97 97 LEU CD1 C 13 22.888 0.2 . 2 . . . . . 92 LEU CD1 . 26345 1 395 . 1 . 1 97 97 LEU CD2 C 13 21.681 0.2 . 2 . . . . . 92 LEU CD2 . 26345 1 396 . 1 . 1 97 97 LEU CG C 13 27.714 0.2 . 1 . . . . . 92 LEU CG . 26345 1 397 . 1 . 1 97 97 LEU N N 15 121.370 0.05 . 1 . . . . . 92 LEU N . 26345 1 398 . 1 . 1 98 98 LEU H H 1 8.211 0.01 . 1 . . . . . 93 LEU H . 26345 1 399 . 1 . 1 98 98 LEU C C 13 177.040 0.03 . 1 . . . . . 93 LEU C . 26345 1 400 . 1 . 1 98 98 LEU CA C 13 55.203 0.2 . 1 . . . . . 93 LEU CA . 26345 1 401 . 1 . 1 98 98 LEU CB C 13 42.386 0.2 . 1 . . . . . 93 LEU CB . 26345 1 402 . 1 . 1 98 98 LEU CD1 C 13 22.904 0.2 . 2 . . . . . 93 LEU CD1 . 26345 1 403 . 1 . 1 98 98 LEU CD2 C 13 21.708 0.2 . 2 . . . . . 93 LEU CD2 . 26345 1 404 . 1 . 1 98 98 LEU CG C 13 27.706 0.2 . 1 . . . . . 93 LEU CG . 26345 1 405 . 1 . 1 98 98 LEU N N 15 122.976 0.05 . 1 . . . . . 93 LEU N . 26345 1 406 . 1 . 1 99 99 LEU H H 1 8.164 0.01 . 1 . . . . . 94 LEU H . 26345 1 407 . 1 . 1 99 99 LEU C C 13 177.443 0.03 . 1 . . . . . 94 LEU C . 26345 1 408 . 1 . 1 99 99 LEU CA C 13 55.127 0.2 . 1 . . . . . 94 LEU CA . 26345 1 409 . 1 . 1 99 99 LEU CB C 13 42.375 0.2 . 1 . . . . . 94 LEU CB . 26345 1 410 . 1 . 1 99 99 LEU N N 15 123.378 0.05 . 1 . . . . . 94 LEU N . 26345 1 411 . 1 . 1 101 101 ASP C C 13 176.899 0.03 . 1 . . . . . 96 ASP C . 26345 1 412 . 1 . 1 101 101 ASP CA C 13 54.913 0.2 . 1 . . . . . 96 ASP CA . 26345 1 413 . 1 . 1 101 101 ASP CB C 13 41.450 0.2 . 1 . . . . . 96 ASP CB . 26345 1 414 . 1 . 1 102 102 SER H H 1 8.241 0.01 . 1 . . . . . 97 SER H . 26345 1 415 . 1 . 1 102 102 SER C C 13 174.645 0.03 . 1 . . . . . 97 SER C . 26345 1 416 . 1 . 1 102 102 SER CA C 13 59.467 0.2 . 1 . . . . . 97 SER CA . 26345 1 417 . 1 . 1 102 102 SER CB C 13 63.779 0.2 . 1 . . . . . 97 SER CB . 26345 1 418 . 1 . 1 102 102 SER N N 15 116.496 0.05 . 1 . . . . . 97 SER N . 26345 1 419 . 1 . 1 103 103 ALA H H 1 8.202 0.01 . 1 . . . . . 98 ALA H . 26345 1 420 . 1 . 1 103 103 ALA C C 13 177.817 0.03 . 1 . . . . . 98 ALA C . 26345 1 421 . 1 . 1 103 103 ALA CA C 13 52.958 0.2 . 1 . . . . . 98 ALA CA . 26345 1 422 . 1 . 1 103 103 ALA CB C 13 19.274 0.2 . 1 . . . . . 98 ALA CB . 26345 1 423 . 1 . 1 103 103 ALA N N 15 124.843 0.05 . 1 . . . . . 98 ALA N . 26345 1 424 . 1 . 1 104 104 ARG H H 1 7.954 0.01 . 1 . . . . . 99 ARG H . 26345 1 425 . 1 . 1 104 104 ARG C C 13 176.198 0.03 . 1 . . . . . 99 ARG C . 26345 1 426 . 1 . 1 104 104 ARG CA C 13 56.491 0.2 . 1 . . . . . 99 ARG CA . 26345 1 427 . 1 . 1 104 104 ARG CB C 13 30.990 0.2 . 1 . . . . . 99 ARG CB . 26345 1 428 . 1 . 1 104 104 ARG CD C 13 44.108 0.2 . 1 . . . . . 99 ARG CD . 26345 1 429 . 1 . 1 104 104 ARG CG C 13 27.881 0.2 . 1 . . . . . 99 ARG CG . 26345 1 430 . 1 . 1 104 104 ARG N N 15 119.388 0.05 . 1 . . . . . 99 ARG N . 26345 1 431 . 1 . 1 105 105 VAL H H 1 7.998 0.01 . 1 . . . . . 100 VAL H . 26345 1 432 . 1 . 1 105 105 VAL C C 13 175.950 0.03 . 1 . . . . . 100 VAL C . 26345 1 433 . 1 . 1 105 105 VAL CA C 13 62.590 0.2 . 1 . . . . . 100 VAL CA . 26345 1 434 . 1 . 1 105 105 VAL CB C 13 32.868 0.2 . 1 . . . . . 100 VAL CB . 26345 1 435 . 1 . 1 105 105 VAL CG1 C 13 21.832 0.2 . 2 . . . . . 100 VAL CG1 . 26345 1 436 . 1 . 1 105 105 VAL N N 15 121.004 0.05 . 1 . . . . . 100 VAL N . 26345 1 437 . 1 . 1 106 106 LEU H H 1 8.225 0.01 . 1 . . . . . 101 LEU H . 26345 1 438 . 1 . 1 106 106 LEU C C 13 176.500 0.03 . 1 . . . . . 101 LEU C . 26345 1 439 . 1 . 1 106 106 LEU CA C 13 54.938 0.2 . 1 . . . . . 101 LEU CA . 26345 1 440 . 1 . 1 106 106 LEU CB C 13 42.707 0.2 . 1 . . . . . 101 LEU CB . 26345 1 441 . 1 . 1 106 106 LEU CD1 C 13 22.960 0.2 . 2 . . . . . 101 LEU CD1 . 26345 1 442 . 1 . 1 106 106 LEU CD2 C 13 21.486 0.2 . 2 . . . . . 101 LEU CD2 . 26345 1 443 . 1 . 1 106 106 LEU CG C 13 27.664 0.2 . 1 . . . . . 101 LEU CG . 26345 1 444 . 1 . 1 106 106 LEU N N 15 126.028 0.05 . 1 . . . . . 101 LEU N . 26345 1 445 . 1 . 1 107 107 ALA H H 1 8.197 0.01 . 1 . . . . . 102 ALA H . 26345 1 446 . 1 . 1 107 107 ALA C C 13 175.434 0.03 . 1 . . . . . 102 ALA C . 26345 1 447 . 1 . 1 107 107 ALA CA C 13 50.385 0.2 . 1 . . . . . 102 ALA CA . 26345 1 448 . 1 . 1 107 107 ALA CB C 13 18.316 0.2 . 1 . . . . . 102 ALA CB . 26345 1 449 . 1 . 1 107 107 ALA N N 15 126.137 0.05 . 1 . . . . . 102 ALA N . 26345 1 450 . 1 . 1 108 108 PRO C C 13 177.768 0.03 . 1 . . . . . 103 PRO C . 26345 1 451 . 1 . 1 108 108 PRO CA C 13 63.695 0.2 . 1 . . . . . 103 PRO CA . 26345 1 452 . 1 . 1 108 108 PRO CB C 13 32.241 0.2 . 1 . . . . . 103 PRO CB . 26345 1 453 . 1 . 1 108 108 PRO CD C 13 51.258 0.2 . 1 . . . . . 103 PRO CD . 26345 1 454 . 1 . 1 108 108 PRO CG C 13 28.102 0.2 . 1 . . . . . 103 PRO CG . 26345 1 455 . 1 . 1 109 109 GLY H H 1 8.485 0.01 . 1 . . . . . 104 GLY H . 26345 1 456 . 1 . 1 109 109 GLY C C 13 174.890 0.03 . 1 . . . . . 104 GLY C . 26345 1 457 . 1 . 1 109 109 GLY CA C 13 45.610 0.2 . 1 . . . . . 104 GLY CA . 26345 1 458 . 1 . 1 109 109 GLY N N 15 109.417 0.05 . 1 . . . . . 104 GLY N . 26345 1 459 . 1 . 1 110 110 GLY H H 1 8.260 0.01 . 1 . . . . . 105 GLY H . 26345 1 460 . 1 . 1 110 110 GLY C C 13 174.046 0.03 . 1 . . . . . 105 GLY C . 26345 1 461 . 1 . 1 110 110 GLY CA C 13 45.550 0.2 . 1 . . . . . 105 GLY CA . 26345 1 462 . 1 . 1 110 110 GLY N N 15 108.555 0.05 . 1 . . . . . 105 GLY N . 26345 1 463 . 1 . 1 111 111 GLN H H 1 8.215 0.01 . 1 . . . . . 106 GLN H . 26345 1 464 . 1 . 1 111 111 GLN C C 13 175.431 0.03 . 1 . . . . . 106 GLN C . 26345 1 465 . 1 . 1 111 111 GLN CA C 13 55.666 0.2 . 1 . . . . . 106 GLN CA . 26345 1 466 . 1 . 1 111 111 GLN CB C 13 29.993 0.2 . 1 . . . . . 106 GLN CB . 26345 1 467 . 1 . 1 111 111 GLN CG C 13 34.513 0.2 . 1 . . . . . 106 GLN CG . 26345 1 468 . 1 . 1 111 111 GLN N N 15 119.394 0.05 . 1 . . . . . 106 GLN N . 26345 1 469 . 1 . 1 112 112 ASP H H 1 8.436 0.01 . 1 . . . . . 107 ASP H . 26345 1 470 . 1 . 1 112 112 ASP C C 13 175.027 0.03 . 1 . . . . . 107 ASP C . 26345 1 471 . 1 . 1 112 112 ASP CA C 13 52.431 0.2 . 1 . . . . . 107 ASP CA . 26345 1 472 . 1 . 1 112 112 ASP CB C 13 41.314 0.2 . 1 . . . . . 107 ASP CB . 26345 1 473 . 1 . 1 112 112 ASP N N 15 123.427 0.05 . 1 . . . . . 107 ASP N . 26345 1 474 . 1 . 1 113 113 PRO C C 13 177.692 0.03 . 1 . . . . . 108 PRO C . 26345 1 475 . 1 . 1 113 113 PRO CA C 13 63.980 0.2 . 1 . . . . . 108 PRO CA . 26345 1 476 . 1 . 1 113 113 PRO CB C 13 32.279 0.2 . 1 . . . . . 108 PRO CB . 26345 1 477 . 1 . 1 113 113 PRO CD C 13 51.578 0.2 . 1 . . . . . 108 PRO CD . 26345 1 478 . 1 . 1 113 113 PRO CG C 13 27.823 0.2 . 1 . . . . . 108 PRO CG . 26345 1 479 . 1 . 1 114 114 GLY H H 1 8.534 0.01 . 1 . . . . . 109 GLY H . 26345 1 480 . 1 . 1 114 114 GLY C C 13 174.381 0.03 . 1 . . . . . 109 GLY C . 26345 1 481 . 1 . 1 114 114 GLY CA C 13 45.609 0.2 . 1 . . . . . 109 GLY CA . 26345 1 482 . 1 . 1 114 114 GLY N N 15 108.747 0.05 . 1 . . . . . 109 GLY N . 26345 1 483 . 1 . 1 115 115 SER H H 1 8.069 0.01 . 1 . . . . . 110 SER H . 26345 1 484 . 1 . 1 115 115 SER C C 13 174.669 0.03 . 1 . . . . . 110 SER C . 26345 1 485 . 1 . 1 115 115 SER CA C 13 58.503 0.2 . 1 . . . . . 110 SER CA . 26345 1 486 . 1 . 1 115 115 SER CB C 13 64.345 0.2 . 1 . . . . . 110 SER CB . 26345 1 487 . 1 . 1 115 115 SER N N 15 115.356 0.05 . 1 . . . . . 110 SER N . 26345 1 488 . 1 . 1 116 116 GLY H H 1 8.250 0.01 . 1 . . . . . 111 GLY H . 26345 1 489 . 1 . 1 116 116 GLY C C 13 178.852 0.03 . 1 . . . . . 111 GLY C . 26345 1 490 . 1 . 1 116 116 GLY CA C 13 44.817 0.2 . 1 . . . . . 111 GLY CA . 26345 1 491 . 1 . 1 116 116 GLY N N 15 110.669 0.05 . 1 . . . . . 111 GLY N . 26345 1 492 . 1 . 1 117 117 PRO C C 13 177.100 0.03 . 1 . . . . . 112 PRO C . 26345 1 493 . 1 . 1 117 117 PRO CA C 13 63.456 0.2 . 1 . . . . . 112 PRO CA . 26345 1 494 . 1 . 1 117 117 PRO CB C 13 32.357 0.2 . 1 . . . . . 112 PRO CB . 26345 1 495 . 1 . 1 117 117 PRO CD C 13 50.501 0.2 . 1 . . . . . 112 PRO CD . 26345 1 496 . 1 . 1 117 117 PRO CG C 13 27.875 0.2 . 1 . . . . . 112 PRO CG . 26345 1 497 . 1 . 1 118 118 ALA H H 1 8.431 0.01 . 1 . . . . . 113 ALA H . 26345 1 498 . 1 . 1 118 118 ALA C C 13 178.169 0.03 . 1 . . . . . 113 ALA C . 26345 1 499 . 1 . 1 118 118 ALA CA C 13 52.888 0.2 . 1 . . . . . 113 ALA CA . 26345 1 500 . 1 . 1 118 118 ALA CB C 13 19.268 0.2 . 1 . . . . . 113 ALA CB . 26345 1 501 . 1 . 1 118 118 ALA N N 15 123.986 0.05 . 1 . . . . . 113 ALA N . 26345 1 502 . 1 . 1 119 119 THR H H 1 8.014 0.01 . 1 . . . . . 114 THR H . 26345 1 503 . 1 . 1 119 119 THR C C 13 174.489 0.03 . 1 . . . . . 114 THR C . 26345 1 504 . 1 . 1 119 119 THR CA C 13 61.924 0.2 . 1 . . . . . 114 THR CA . 26345 1 505 . 1 . 1 119 119 THR CB C 13 70.171 0.2 . 1 . . . . . 114 THR CB . 26345 1 506 . 1 . 1 119 119 THR CG2 C 13 22.300 0.2 . 1 . . . . . 114 THR CG2 . 26345 1 507 . 1 . 1 119 119 THR N N 15 112.849 0.05 . 1 . . . . . 114 THR N . 26345 1 508 . 1 . 1 120 120 ALA H H 1 8.248 0.01 . 1 . . . . . 115 ALA H . 26345 1 509 . 1 . 1 120 120 ALA C C 13 177.558 0.03 . 1 . . . . . 115 ALA C . 26345 1 510 . 1 . 1 120 120 ALA CA C 13 52.749 0.2 . 1 . . . . . 115 ALA CA . 26345 1 511 . 1 . 1 120 120 ALA CB C 13 19.401 0.2 . 1 . . . . . 115 ALA CB . 26345 1 512 . 1 . 1 120 120 ALA N N 15 126.283 0.05 . 1 . . . . . 115 ALA N . 26345 1 513 . 1 . 1 121 121 ALA H H 1 8.246 0.01 . 1 . . . . . 116 ALA H . 26345 1 514 . 1 . 1 121 121 ALA C C 13 178.364 0.03 . 1 . . . . . 116 ALA C . 26345 1 515 . 1 . 1 121 121 ALA CA C 13 52.901 0.2 . 1 . . . . . 116 ALA CA . 26345 1 516 . 1 . 1 121 121 ALA CB C 13 19.343 0.2 . 1 . . . . . 116 ALA CB . 26345 1 517 . 1 . 1 121 121 ALA N N 15 123.385 0.05 . 1 . . . . . 116 ALA N . 26345 1 518 . 1 . 1 122 122 GLY H H 1 8.317 0.01 . 1 . . . . . 117 GLY H . 26345 1 519 . 1 . 1 122 122 GLY C C 13 174.823 0.03 . 1 . . . . . 117 GLY C . 26345 1 520 . 1 . 1 122 122 GLY CA C 13 45.617 0.2 . 1 . . . . . 117 GLY CA . 26345 1 521 . 1 . 1 122 122 GLY N N 15 108.047 0.05 . 1 . . . . . 117 GLY N . 26345 1 522 . 1 . 1 123 123 GLY H H 1 8.202 0.01 . 1 . . . . . 118 GLY H . 26345 1 523 . 1 . 1 123 123 GLY C C 13 174.347 0.03 . 1 . . . . . 118 GLY C . 26345 1 524 . 1 . 1 123 123 GLY CA C 13 45.514 0.2 . 1 . . . . . 118 GLY CA . 26345 1 525 . 1 . 1 123 123 GLY N N 15 108.472 0.05 . 1 . . . . . 118 GLY N . 26345 1 526 . 1 . 1 124 124 LEU H H 1 8.166 0.01 . 1 . . . . . 119 LEU H . 26345 1 527 . 1 . 1 124 124 LEU C C 13 177.794 0.03 . 1 . . . . . 119 LEU C . 26345 1 528 . 1 . 1 124 124 LEU CA C 13 55.507 0.2 . 1 . . . . . 119 LEU CA . 26345 1 529 . 1 . 1 124 124 LEU CB C 13 42.623 0.2 . 1 . . . . . 119 LEU CB . 26345 1 530 . 1 . 1 124 124 LEU CD1 C 13 23.066 0.2 . 2 . . . . . 119 LEU CD1 . 26345 1 531 . 1 . 1 124 124 LEU CD2 C 13 21.419 0.2 . 2 . . . . . 119 LEU CD2 . 26345 1 532 . 1 . 1 124 124 LEU CG C 13 27.717 0.2 . 1 . . . . . 119 LEU CG . 26345 1 533 . 1 . 1 124 124 LEU N N 15 121.602 0.05 . 1 . . . . . 119 LEU N . 26345 1 534 . 1 . 1 125 125 SER H H 1 8.338 0.01 . 1 . . . . . 120 SER H . 26345 1 535 . 1 . 1 125 125 SER C C 13 175.161 0.03 . 1 . . . . . 120 SER C . 26345 1 536 . 1 . 1 125 125 SER CA C 13 58.729 0.2 . 1 . . . . . 120 SER CA . 26345 1 537 . 1 . 1 125 125 SER CB C 13 64.047 0.2 . 1 . . . . . 120 SER CB . 26345 1 538 . 1 . 1 125 125 SER N N 15 116.370 0.05 . 1 . . . . . 120 SER N . 26345 1 539 . 1 . 1 126 126 GLY H H 1 8.390 0.01 . 1 . . . . . 121 GLY H . 26345 1 540 . 1 . 1 126 126 GLY C C 13 174.776 0.03 . 1 . . . . . 121 GLY C . 26345 1 541 . 1 . 1 126 126 GLY CA C 13 45.610 0.2 . 1 . . . . . 121 GLY CA . 26345 1 542 . 1 . 1 126 126 GLY N N 15 110.722 0.05 . 1 . . . . . 121 GLY N . 26345 1 543 . 1 . 1 127 127 GLY H H 1 8.257 0.01 . 1 . . . . . 122 GLY H . 26345 1 544 . 1 . 1 127 127 GLY C C 13 174.612 0.03 . 1 . . . . . 122 GLY C . 26345 1 545 . 1 . 1 127 127 GLY CA C 13 45.550 0.2 . 1 . . . . . 122 GLY CA . 26345 1 546 . 1 . 1 127 127 GLY N N 15 108.554 0.05 . 1 . . . . . 122 GLY N . 26345 1 547 . 1 . 1 128 128 THR H H 1 8.108 0.01 . 1 . . . . . 123 THR H . 26345 1 548 . 1 . 1 128 128 THR C C 13 174.910 0.03 . 1 . . . . . 123 THR C . 26345 1 549 . 1 . 1 128 128 THR CA C 13 62.394 0.2 . 1 . . . . . 123 THR CA . 26345 1 550 . 1 . 1 128 128 THR CB C 13 69.880 0.2 . 1 . . . . . 123 THR CB . 26345 1 551 . 1 . 1 128 128 THR CG2 C 13 22.367 0.2 . 1 . . . . . 123 THR CG2 . 26345 1 552 . 1 . 1 128 128 THR N N 15 113.745 0.05 . 1 . . . . . 123 THR N . 26345 1 553 . 1 . 1 129 129 GLN H H 1 8.420 0.01 . 1 . . . . . 124 GLN H . 26345 1 554 . 1 . 1 129 129 GLN C C 13 175.780 0.03 . 1 . . . . . 124 GLN C . 26345 1 555 . 1 . 1 129 129 GLN CA C 13 56.268 0.2 . 1 . . . . . 124 GLN CA . 26345 1 556 . 1 . 1 129 129 GLN CB C 13 29.590 0.2 . 1 . . . . . 124 GLN CB . 26345 1 557 . 1 . 1 129 129 GLN CG C 13 34.540 0.2 . 1 . . . . . 124 GLN CG . 26345 1 558 . 1 . 1 129 129 GLN N N 15 122.629 0.05 . 1 . . . . . 124 GLN N . 26345 1 559 . 1 . 1 130 130 ALA H H 1 8.210 0.01 . 1 . . . . . 125 ALA H . 26345 1 560 . 1 . 1 130 130 ALA C C 13 177.527 0.03 . 1 . . . . . 125 ALA C . 26345 1 561 . 1 . 1 130 130 ALA CA C 13 52.846 0.2 . 1 . . . . . 125 ALA CA . 26345 1 562 . 1 . 1 130 130 ALA CB C 13 19.312 0.2 . 1 . . . . . 125 ALA CB . 26345 1 563 . 1 . 1 130 130 ALA N N 15 124.841 0.05 . 1 . . . . . 125 ALA N . 26345 1 564 . 1 . 1 131 131 LEU H H 1 8.059 0.01 . 1 . . . . . 126 LEU H . 26345 1 565 . 1 . 1 131 131 LEU C C 13 177.170 0.03 . 1 . . . . . 126 LEU C . 26345 1 566 . 1 . 1 131 131 LEU CA C 13 55.335 0.2 . 1 . . . . . 126 LEU CA . 26345 1 567 . 1 . 1 131 131 LEU CB C 13 42.536 0.2 . 1 . . . . . 126 LEU CB . 26345 1 568 . 1 . 1 131 131 LEU CD1 C 13 22.933 0.2 . 2 . . . . . 126 LEU CD1 . 26345 1 569 . 1 . 1 131 131 LEU CD2 C 13 21.608 0.2 . 2 . . . . . 126 LEU CD2 . 26345 1 570 . 1 . 1 131 131 LEU CG C 13 27.722 0.2 . 1 . . . . . 126 LEU CG . 26345 1 571 . 1 . 1 131 131 LEU N N 15 120.797 0.05 . 1 . . . . . 126 LEU N . 26345 1 572 . 1 . 1 132 132 LEU H H 1 8.080 0.01 . 1 . . . . . 127 LEU H . 26345 1 573 . 1 . 1 132 132 LEU C C 13 176.952 0.03 . 1 . . . . . 127 LEU C . 26345 1 574 . 1 . 1 132 132 LEU CA C 13 55.158 0.2 . 1 . . . . . 127 LEU CA . 26345 1 575 . 1 . 1 132 132 LEU CB C 13 42.583 0.2 . 1 . . . . . 127 LEU CB . 26345 1 576 . 1 . 1 132 132 LEU CD1 C 13 22.927 0.2 . 2 . . . . . 127 LEU CD1 . 26345 1 577 . 1 . 1 132 132 LEU CD2 C 13 21.557 0.2 . 2 . . . . . 127 LEU CD2 . 26345 1 578 . 1 . 1 132 132 LEU CG C 13 27.659 0.2 . 1 . . . . . 127 LEU CG . 26345 1 579 . 1 . 1 132 132 LEU N N 15 122.696 0.05 . 1 . . . . . 127 LEU N . 26345 1 580 . 1 . 1 133 133 GLN H H 1 8.222 0.01 . 1 . . . . . 128 GLN H . 26345 1 581 . 1 . 1 133 133 GLN C C 13 173.850 0.03 . 1 . . . . . 128 GLN C . 26345 1 582 . 1 . 1 133 133 GLN CA C 13 53.578 0.2 . 1 . . . . . 128 GLN CA . 26345 1 583 . 1 . 1 133 133 GLN CB C 13 29.061 0.2 . 1 . . . . . 128 GLN CB . 26345 1 584 . 1 . 1 133 133 GLN N N 15 121.880 0.05 . 1 . . . . . 128 GLN N . 26345 1 585 . 1 . 1 143 143 PRO C C 13 177.646 0.03 . 1 . . . . . 138 PRO C . 26345 1 586 . 1 . 1 143 143 PRO CA C 13 63.695 0.2 . 1 . . . . . 138 PRO CA . 26345 1 587 . 1 . 1 143 143 PRO CB C 13 32.241 0.2 . 1 . . . . . 138 PRO CB . 26345 1 588 . 1 . 1 144 144 GLY H H 1 8.482 0.01 . 1 . . . . . 139 GLY H . 26345 1 589 . 1 . 1 144 144 GLY C C 13 174.088 0.03 . 1 . . . . . 139 GLY C . 26345 1 590 . 1 . 1 144 144 GLY CA C 13 45.413 0.2 . 1 . . . . . 139 GLY CA . 26345 1 591 . 1 . 1 144 144 GLY N N 15 109.567 0.05 . 1 . . . . . 139 GLY N . 26345 1 592 . 1 . 1 145 145 ALA H H 1 8.072 0.01 . 1 . . . . . 140 ALA H . 26345 1 593 . 1 . 1 145 145 ALA C C 13 177.763 0.03 . 1 . . . . . 140 ALA C . 26345 1 594 . 1 . 1 145 145 ALA CA C 13 52.651 0.2 . 1 . . . . . 140 ALA CA . 26345 1 595 . 1 . 1 145 145 ALA CB C 13 19.551 0.2 . 1 . . . . . 140 ALA CB . 26345 1 596 . 1 . 1 145 145 ALA N N 15 123.795 0.05 . 1 . . . . . 140 ALA N . 26345 1 597 . 1 . 1 146 146 ALA H H 1 8.343 0.01 . 1 . . . . . 141 ALA H . 26345 1 598 . 1 . 1 146 146 ALA C C 13 178.382 0.03 . 1 . . . . . 141 ALA C . 26345 1 599 . 1 . 1 146 146 ALA CA C 13 52.942 0.2 . 1 . . . . . 141 ALA CA . 26345 1 600 . 1 . 1 146 146 ALA CB C 13 19.290 0.2 . 1 . . . . . 141 ALA CB . 26345 1 601 . 1 . 1 146 146 ALA N N 15 123.437 0.05 . 1 . . . . . 141 ALA N . 26345 1 602 . 1 . 1 147 147 GLY H H 1 8.325 0.01 . 1 . . . . . 142 GLY H . 26345 1 603 . 1 . 1 147 147 GLY C C 13 174.844 0.03 . 1 . . . . . 142 GLY C . 26345 1 604 . 1 . 1 147 147 GLY CA C 13 45.610 0.2 . 1 . . . . . 142 GLY CA . 26345 1 605 . 1 . 1 147 147 GLY N N 15 108.122 0.05 . 1 . . . . . 142 GLY N . 26345 1 606 . 1 . 1 148 148 GLY H H 1 8.234 0.01 . 1 . . . . . 143 GLY H . 26345 1 607 . 1 . 1 148 148 GLY C C 13 174.415 0.03 . 1 . . . . . 143 GLY C . 26345 1 608 . 1 . 1 148 148 GLY CA C 13 45.442 0.2 . 1 . . . . . 143 GLY CA . 26345 1 609 . 1 . 1 148 148 GLY N N 15 108.722 0.05 . 1 . . . . . 143 GLY N . 26345 1 610 . 1 . 1 149 149 SER H H 1 8.348 0.01 . 1 . . . . . 144 SER H . 26345 1 611 . 1 . 1 149 149 SER C C 13 175.197 0.03 . 1 . . . . . 144 SER C . 26345 1 612 . 1 . 1 149 149 SER CA C 13 58.731 0.2 . 1 . . . . . 144 SER CA . 26345 1 613 . 1 . 1 149 149 SER CB C 13 64.168 0.2 . 1 . . . . . 144 SER CB . 26345 1 614 . 1 . 1 149 149 SER N N 15 115.535 0.05 . 1 . . . . . 144 SER N . 26345 1 615 . 1 . 1 150 150 GLY H H 1 8.503 0.01 . 1 . . . . . 145 GLY H . 26345 1 616 . 1 . 1 150 150 GLY C C 13 173.345 0.03 . 1 . . . . . 145 GLY C . 26345 1 617 . 1 . 1 150 150 GLY CA C 13 45.688 0.2 . 1 . . . . . 145 GLY CA . 26345 1 618 . 1 . 1 150 150 GLY N N 15 111.328 0.05 . 1 . . . . . 145 GLY N . 26345 1 619 . 1 . 1 151 151 GLN H H 1 7.832 0.01 . 1 . . . . . 146 GLN H . 26345 1 620 . 1 . 1 151 151 GLN C C 13 173.602 0.03 . 1 . . . . . 146 GLN C . 26345 1 621 . 1 . 1 151 151 GLN CA C 13 57.248 0.2 . 1 . . . . . 146 GLN CA . 26345 1 622 . 1 . 1 151 151 GLN CB C 13 30.509 0.2 . 1 . . . . . 146 GLN CB . 26345 1 623 . 1 . 1 151 151 GLN N N 15 124.673 0.05 . 1 . . . . . 146 GLN N . 26345 1 stop_ save_