data_26344 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26344 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146) phosphorylated on T32 ; _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 . . . . 26344 2 Shoichi Nakatsuka . . . . 26344 3 Mriko Yokogawa . . . . 26344 4 Masanori Osawa . . . . 26344 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26344 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 26344 '15N chemical shifts' 110 26344 '1H chemical shifts' 110 26344 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 . 26344 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26345 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146)' 26344 BMRB 26346 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284)' 26344 BMRB 26347 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284) phosphorylated on S253' 26344 BMRB 26348 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for full length 14-3-3z' 26344 BMRB 26350 'Backbone 1H and 15N Chemical Shift Assignments for FOXO3a (1-284) phosphorylated on T32 and S253' 26344 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26344 _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. . . . 26344 1 2 Shoichi Nakatsuka S. . . . 26344 1 3 Tomoya Kuwayama T. . . . 26344 1 4 Kosaku Kawatsu K. . . . 26344 1 5 Mariko Yokogawa M. . . . 26344 1 6 Masanori Osawa M. . . . 26344 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26344 _Assembly.ID 1 _Assembly.Name 'FOXO3a (1-146) phosphorylated on T32' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 14794 _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 'subunit 1' 1 $entity_1 . . yes native no no . . . 26344 1 2 'subunit 2' 2 $entity_2 . . yes native no no . . . 26344 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26344 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FOXO3a (1-146) phosphorylated on T32' _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 VELDPEFEPQSRPRSCXWPL QRPELQASPAKPSGETAADS MIPEEEDDEDDEDGGGRAGS AMAIGGGGGSGTLGSGLLLE DSARVLAPGGQDPGSGPATA AGGLSGGTQALLQPQQPLPP PQPGAAGGSGQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _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 14794 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; X = phosphorylated threonine (TPO) S30, C31, X32, W33, L35, and Q36 were observed with two signals, respectively. The secondary signals of these residues were recorded in the Entity Assembly ID 2. ; _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 . 26344 1 2 -4 PRO . 26344 1 3 -3 LEU . 26344 1 4 -2 GLY . 26344 1 5 -1 SER . 26344 1 6 1 MET . 26344 1 7 2 ALA . 26344 1 8 3 GLU . 26344 1 9 4 ALA . 26344 1 10 5 PRO . 26344 1 11 6 ALA . 26344 1 12 7 SER . 26344 1 13 8 PRO . 26344 1 14 9 ALA . 26344 1 15 10 PRO . 26344 1 16 11 LEU . 26344 1 17 12 SER . 26344 1 18 13 PRO . 26344 1 19 14 LEU . 26344 1 20 15 GLU . 26344 1 21 16 VAL . 26344 1 22 17 GLU . 26344 1 23 18 LEU . 26344 1 24 19 ASP . 26344 1 25 20 PRO . 26344 1 26 21 GLU . 26344 1 27 22 PHE . 26344 1 28 23 GLU . 26344 1 29 24 PRO . 26344 1 30 25 GLN . 26344 1 31 26 SER . 26344 1 32 27 ARG . 26344 1 33 28 PRO . 26344 1 34 29 ARG . 26344 1 35 30 SER . 26344 1 36 31 CYS . 26344 1 37 32 TPO . 26344 1 38 33 TRP . 26344 1 39 34 PRO . 26344 1 40 35 LEU . 26344 1 41 36 GLN . 26344 1 42 37 ARG . 26344 1 43 38 PRO . 26344 1 44 39 GLU . 26344 1 45 40 LEU . 26344 1 46 41 GLN . 26344 1 47 42 ALA . 26344 1 48 43 SER . 26344 1 49 44 PRO . 26344 1 50 45 ALA . 26344 1 51 46 LYS . 26344 1 52 47 PRO . 26344 1 53 48 SER . 26344 1 54 49 GLY . 26344 1 55 50 GLU . 26344 1 56 51 THR . 26344 1 57 52 ALA . 26344 1 58 53 ALA . 26344 1 59 54 ASP . 26344 1 60 55 SER . 26344 1 61 56 MET . 26344 1 62 57 ILE . 26344 1 63 58 PRO . 26344 1 64 59 GLU . 26344 1 65 60 GLU . 26344 1 66 61 GLU . 26344 1 67 62 ASP . 26344 1 68 63 ASP . 26344 1 69 64 GLU . 26344 1 70 65 ASP . 26344 1 71 66 ASP . 26344 1 72 67 GLU . 26344 1 73 68 ASP . 26344 1 74 69 GLY . 26344 1 75 70 GLY . 26344 1 76 71 GLY . 26344 1 77 72 ARG . 26344 1 78 73 ALA . 26344 1 79 74 GLY . 26344 1 80 75 SER . 26344 1 81 76 ALA . 26344 1 82 77 MET . 26344 1 83 78 ALA . 26344 1 84 79 ILE . 26344 1 85 80 GLY . 26344 1 86 81 GLY . 26344 1 87 82 GLY . 26344 1 88 83 GLY . 26344 1 89 84 GLY . 26344 1 90 85 SER . 26344 1 91 86 GLY . 26344 1 92 87 THR . 26344 1 93 88 LEU . 26344 1 94 89 GLY . 26344 1 95 90 SER . 26344 1 96 91 GLY . 26344 1 97 92 LEU . 26344 1 98 93 LEU . 26344 1 99 94 LEU . 26344 1 100 95 GLU . 26344 1 101 96 ASP . 26344 1 102 97 SER . 26344 1 103 98 ALA . 26344 1 104 99 ARG . 26344 1 105 100 VAL . 26344 1 106 101 LEU . 26344 1 107 102 ALA . 26344 1 108 103 PRO . 26344 1 109 104 GLY . 26344 1 110 105 GLY . 26344 1 111 106 GLN . 26344 1 112 107 ASP . 26344 1 113 108 PRO . 26344 1 114 109 GLY . 26344 1 115 110 SER . 26344 1 116 111 GLY . 26344 1 117 112 PRO . 26344 1 118 113 ALA . 26344 1 119 114 THR . 26344 1 120 115 ALA . 26344 1 121 116 ALA . 26344 1 122 117 GLY . 26344 1 123 118 GLY . 26344 1 124 119 LEU . 26344 1 125 120 SER . 26344 1 126 121 GLY . 26344 1 127 122 GLY . 26344 1 128 123 THR . 26344 1 129 124 GLN . 26344 1 130 125 ALA . 26344 1 131 126 LEU . 26344 1 132 127 LEU . 26344 1 133 128 GLN . 26344 1 134 129 PRO . 26344 1 135 130 GLN . 26344 1 136 131 GLN . 26344 1 137 132 PRO . 26344 1 138 133 LEU . 26344 1 139 134 PRO . 26344 1 140 135 PRO . 26344 1 141 136 PRO . 26344 1 142 137 GLN . 26344 1 143 138 PRO . 26344 1 144 139 GLY . 26344 1 145 140 ALA . 26344 1 146 141 ALA . 26344 1 147 142 GLY . 26344 1 148 143 GLY . 26344 1 149 144 SER . 26344 1 150 145 GLY . 26344 1 151 146 GLN . 26344 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 26344 1 . PRO 2 2 26344 1 . LEU 3 3 26344 1 . GLY 4 4 26344 1 . SER 5 5 26344 1 . MET 6 6 26344 1 . ALA 7 7 26344 1 . GLU 8 8 26344 1 . ALA 9 9 26344 1 . PRO 10 10 26344 1 . ALA 11 11 26344 1 . SER 12 12 26344 1 . PRO 13 13 26344 1 . ALA 14 14 26344 1 . PRO 15 15 26344 1 . LEU 16 16 26344 1 . SER 17 17 26344 1 . PRO 18 18 26344 1 . LEU 19 19 26344 1 . GLU 20 20 26344 1 . VAL 21 21 26344 1 . GLU 22 22 26344 1 . LEU 23 23 26344 1 . ASP 24 24 26344 1 . PRO 25 25 26344 1 . GLU 26 26 26344 1 . PHE 27 27 26344 1 . GLU 28 28 26344 1 . PRO 29 29 26344 1 . GLN 30 30 26344 1 . SER 31 31 26344 1 . ARG 32 32 26344 1 . PRO 33 33 26344 1 . ARG 34 34 26344 1 . SER 35 35 26344 1 . CYS 36 36 26344 1 . TPO 37 37 26344 1 . TRP 38 38 26344 1 . PRO 39 39 26344 1 . LEU 40 40 26344 1 . GLN 41 41 26344 1 . ARG 42 42 26344 1 . PRO 43 43 26344 1 . GLU 44 44 26344 1 . LEU 45 45 26344 1 . GLN 46 46 26344 1 . ALA 47 47 26344 1 . SER 48 48 26344 1 . PRO 49 49 26344 1 . ALA 50 50 26344 1 . LYS 51 51 26344 1 . PRO 52 52 26344 1 . SER 53 53 26344 1 . GLY 54 54 26344 1 . GLU 55 55 26344 1 . THR 56 56 26344 1 . ALA 57 57 26344 1 . ALA 58 58 26344 1 . ASP 59 59 26344 1 . SER 60 60 26344 1 . MET 61 61 26344 1 . ILE 62 62 26344 1 . PRO 63 63 26344 1 . GLU 64 64 26344 1 . GLU 65 65 26344 1 . GLU 66 66 26344 1 . ASP 67 67 26344 1 . ASP 68 68 26344 1 . GLU 69 69 26344 1 . ASP 70 70 26344 1 . ASP 71 71 26344 1 . GLU 72 72 26344 1 . ASP 73 73 26344 1 . GLY 74 74 26344 1 . GLY 75 75 26344 1 . GLY 76 76 26344 1 . ARG 77 77 26344 1 . ALA 78 78 26344 1 . GLY 79 79 26344 1 . SER 80 80 26344 1 . ALA 81 81 26344 1 . MET 82 82 26344 1 . ALA 83 83 26344 1 . ILE 84 84 26344 1 . GLY 85 85 26344 1 . GLY 86 86 26344 1 . GLY 87 87 26344 1 . GLY 88 88 26344 1 . GLY 89 89 26344 1 . SER 90 90 26344 1 . GLY 91 91 26344 1 . THR 92 92 26344 1 . LEU 93 93 26344 1 . GLY 94 94 26344 1 . SER 95 95 26344 1 . GLY 96 96 26344 1 . LEU 97 97 26344 1 . LEU 98 98 26344 1 . LEU 99 99 26344 1 . GLU 100 100 26344 1 . ASP 101 101 26344 1 . SER 102 102 26344 1 . ALA 103 103 26344 1 . ARG 104 104 26344 1 . VAL 105 105 26344 1 . LEU 106 106 26344 1 . ALA 107 107 26344 1 . PRO 108 108 26344 1 . GLY 109 109 26344 1 . GLY 110 110 26344 1 . GLN 111 111 26344 1 . ASP 112 112 26344 1 . PRO 113 113 26344 1 . GLY 114 114 26344 1 . SER 115 115 26344 1 . GLY 116 116 26344 1 . PRO 117 117 26344 1 . ALA 118 118 26344 1 . THR 119 119 26344 1 . ALA 120 120 26344 1 . ALA 121 121 26344 1 . GLY 122 122 26344 1 . GLY 123 123 26344 1 . LEU 124 124 26344 1 . SER 125 125 26344 1 . GLY 126 126 26344 1 . GLY 127 127 26344 1 . THR 128 128 26344 1 . GLN 129 129 26344 1 . ALA 130 130 26344 1 . LEU 131 131 26344 1 . LEU 132 132 26344 1 . GLN 133 133 26344 1 . PRO 134 134 26344 1 . GLN 135 135 26344 1 . GLN 136 136 26344 1 . PRO 137 137 26344 1 . LEU 138 138 26344 1 . PRO 139 139 26344 1 . PRO 140 140 26344 1 . PRO 141 141 26344 1 . GLN 142 142 26344 1 . PRO 143 143 26344 1 . GLY 144 144 26344 1 . ALA 145 145 26344 1 . ALA 146 146 26344 1 . GLY 147 147 26344 1 . GLY 148 148 26344 1 . SER 149 149 26344 1 . GLY 150 150 26344 1 . GLN 151 151 26344 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 26344 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'The secondary signals of S30, C31, X32, W33, L35, and Q36 in FOXO3a (1-146) phosphorylated on T32' _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 ; SCXWLQ ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _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 'X = phosphorylated threonine (TPO)' _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 30 SER . 26344 2 2 31 CYS . 26344 2 3 32 TPO . 26344 2 4 33 TRP . 26344 2 5 35 LEU . 26344 2 6 36 GLN . 26344 2 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 . SER 1 1 26344 2 . CYS 2 2 26344 2 . TPO 3 3 26344 2 . TRP 4 4 26344 2 . LEU 5 5 26344 2 . GLN 6 6 26344 2 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 26344 _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 . . . . . . . . . . . . . 26344 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26344 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 26344 _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 . . . 26344 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . plasmid . . pGEX6P-1 . . . 26344 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 26344 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID THR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FMO _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 26344 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 26344 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26344 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 26344 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 26344 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 26344 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 26344 TPO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26344 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 26344 TPO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 26344 TPO CA CA CA CA . C . . S 0 . . . 1 N N . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 26344 TPO CB CB CB CB . C . . R 0 . . . 1 N N . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 26344 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 N N . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 26344 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 N N . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 26344 TPO P P P P . P . . N 0 . . . 1 N N . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 26344 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 26344 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 26344 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 26344 TPO C C C C . C . . N 0 . . . 1 N N . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 26344 TPO O O O O . O . . N 0 . . . 1 N N . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 26344 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 26344 TPO H H H H . H . . N 0 . . . 1 N N . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 26344 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 26344 TPO HA HA HA HA . H . . N 0 . . . 1 N N . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 26344 TPO HB HB HB HB . H . . N 0 . . . 1 N N . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 26344 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 N N . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 26344 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 N N . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 26344 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 N N . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 26344 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 26344 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 26344 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 26344 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 26344 TPO 2 . SING N H N N 2 . 26344 TPO 3 . SING N H2 N N 3 . 26344 TPO 4 . SING CA CB N N 4 . 26344 TPO 5 . SING CA C N N 5 . 26344 TPO 6 . SING CA HA N N 6 . 26344 TPO 7 . SING CB CG2 N N 7 . 26344 TPO 8 . SING CB OG1 N N 8 . 26344 TPO 9 . SING CB HB N N 9 . 26344 TPO 10 . SING CG2 HG21 N N 10 . 26344 TPO 11 . SING CG2 HG22 N N 11 . 26344 TPO 12 . SING CG2 HG23 N N 12 . 26344 TPO 13 . SING OG1 P N N 13 . 26344 TPO 14 . DOUB P O1P N N 14 . 26344 TPO 15 . SING P O2P N N 15 . 26344 TPO 16 . SING P O3P N N 16 . 26344 TPO 17 . SING O2P HOP2 N N 17 . 26344 TPO 18 . SING O3P HOP3 N N 18 . 26344 TPO 19 . DOUB C O N N 19 . 26344 TPO 20 . SING C OXT N N 20 . 26344 TPO 21 . SING OXT HXT N N 21 . 26344 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26344 _Sample.ID 1 _Sample.Name '13C 15N FOXO3a (1-146) phosphorylated on T32' _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) phosphorylated on T32' '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 976 . . uM . . . . 26344 1 2 DTT 'natural abundance' . . . . . 'reducing agent' 1 . . mM . . . . 26344 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26344 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 26344 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26344 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26344 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 26344 _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 26344 1 pressure 1 . atm 26344 1 temperature 303 . K 26344 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26344 _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' . 26344 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26344 _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 . 26344 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 26344 _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 26344 _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 . . . . . . . . . . . . . . . . . 26344 1 2 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26344 1 3 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26344 1 4 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26344 1 5 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26344 1 6 '3D CC(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26344 1 7 '3D (HN)CO(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26344 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 26344 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_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 . . . . . 26344 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . 26344 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26344 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 26344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift of FOXO3a (1-146) phosphorylated on T32' _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 26344 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26344 1 3 '3D HNCACB' 1 $sample_1 isotropic 26344 1 4 '3D HNCO' 1 $sample_1 isotropic 26344 1 5 '3D HN(CA)CO' 1 $sample_1 isotropic 26344 1 6 '3D CC(CO)NH' 1 $sample_1 isotropic 26344 1 7 '3D (HN)CO(CO)NH' 1 $sample_1 isotropic 26344 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 . . 26344 1 2 $software_2 . . 26344 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 13 177.029 0.03 . 1 . . . . . -4 PRO C . 26344 1 2 . 1 . 1 2 2 PRO CA C 13 63.064 0.2 . 1 . . . . . -4 PRO CA . 26344 1 3 . 1 . 1 2 2 PRO CB C 13 32.277 0.2 . 1 . . . . . -4 PRO CB . 26344 1 4 . 1 . 1 2 2 PRO CG C 13 27.634 0.1 . 1 . . . . . -4 PRO CG . 26344 1 5 . 1 . 1 2 2 PRO CD C 13 50.241 0.1 . 1 . . . . . -4 PRO CD . 26344 1 6 . 1 . 1 3 3 LEU H H 1 8.501 0.01 . 1 . . . . . -3 LEU H . 26344 1 7 . 1 . 1 3 3 LEU C C 13 177.991 0.03 . 1 . . . . . -3 LEU C . 26344 1 8 . 1 . 1 3 3 LEU CA C 13 55.481 0.2 . 1 . . . . . -3 LEU CA . 26344 1 9 . 1 . 1 3 3 LEU CB C 13 42.277 0.2 . 1 . . . . . -3 LEU CB . 26344 1 10 . 1 . 1 3 3 LEU CG C 13 27.670 0.1 . 1 . . . . . -3 LEU CG . 26344 1 11 . 1 . 1 3 3 LEU CD1 C 13 21.388 0.1 . 2 . . . . . -3 LEU CD1 . 26344 1 12 . 1 . 1 3 3 LEU CD2 C 13 22.741 0.1 . 2 . . . . . -3 LEU CD2 . 26344 1 13 . 1 . 1 3 3 LEU N N 15 122.368 0.05 . 1 . . . . . -3 LEU N . 26344 1 14 . 1 . 1 4 4 GLY H H 1 8.391 0.01 . 1 . . . . . -2 GLY H . 26344 1 15 . 1 . 1 4 4 GLY C C 13 174.325 0.03 . 1 . . . . . -2 GLY C . 26344 1 16 . 1 . 1 4 4 GLY CA C 13 45.282 0.2 . 1 . . . . . -2 GLY CA . 26344 1 17 . 1 . 1 4 4 GLY N N 15 109.831 0.05 . 1 . . . . . -2 GLY N . 26344 1 18 . 1 . 1 5 5 SER H H 1 8.186 0.01 . 1 . . . . . -1 SER H . 26344 1 19 . 1 . 1 5 5 SER C C 13 174.784 0.03 . 1 . . . . . -1 SER C . 26344 1 20 . 1 . 1 5 5 SER CA C 13 58.546 0.1 . 1 . . . . . -1 SER CA . 26344 1 21 . 1 . 1 5 5 SER CB C 13 63.998 0.1 . 1 . . . . . -1 SER CB . 26344 1 22 . 1 . 1 5 5 SER N N 15 115.620 0.05 . 1 . . . . . -1 SER N . 26344 1 23 . 1 . 1 7 7 ALA C C 13 177.492 0.03 . 1 . . . . . 2 ALA C . 26344 1 24 . 1 . 1 7 7 ALA CA C 13 52.451 0.2 . 1 . . . . . 2 ALA CA . 26344 1 25 . 1 . 1 7 7 ALA CB C 13 19.234 0.2 . 1 . . . . . 2 ALA CB . 26344 1 26 . 1 . 1 8 8 GLU H H 1 8.240 0.01 . 1 . . . . . 3 GLU H . 26344 1 27 . 1 . 1 8 8 GLU C C 13 175.785 0.03 . 1 . . . . . 3 GLU C . 26344 1 28 . 1 . 1 8 8 GLU CA C 13 56.011 0.2 . 1 . . . . . 3 GLU CA . 26344 1 29 . 1 . 1 8 8 GLU CB C 13 30.485 0.2 . 1 . . . . . 3 GLU CB . 26344 1 30 . 1 . 1 8 8 GLU CG C 13 36.835 0.1 . 1 . . . . . 3 GLU CG . 26344 1 31 . 1 . 1 8 8 GLU N N 15 119.946 0.05 . 1 . . . . . 3 GLU N . 26344 1 32 . 1 . 1 9 9 ALA H H 1 8.264 0.01 . 1 . . . . . 4 ALA H . 26344 1 33 . 1 . 1 9 9 ALA C C 13 175.338 0.03 . 1 . . . . . 4 ALA C . 26344 1 34 . 1 . 1 9 9 ALA CA C 13 50.499 0.1 . 1 . . . . . 4 ALA CA . 26344 1 35 . 1 . 1 9 9 ALA CB C 13 18.342 0.1 . 1 . . . . . 4 ALA CB . 26344 1 36 . 1 . 1 9 9 ALA N N 15 126.549 0.05 . 1 . . . . . 4 ALA N . 26344 1 37 . 1 . 1 10 10 PRO C C 13 176.645 0.03 . 1 . . . . . 5 PRO C . 26344 1 38 . 1 . 1 10 10 PRO CA C 13 62.823 0.2 . 1 . . . . . 5 PRO CA . 26344 1 39 . 1 . 1 10 10 PRO CB C 13 31.995 0.2 . 1 . . . . . 5 PRO CB . 26344 1 40 . 1 . 1 10 10 PRO CG C 13 27.917 0.1 . 1 . . . . . 5 PRO CG . 26344 1 41 . 1 . 1 11 11 ALA H H 1 8.381 0.01 . 1 . . . . . 6 ALA H . 26344 1 42 . 1 . 1 11 11 ALA C C 13 177.652 0.03 . 1 . . . . . 6 ALA C . 26344 1 43 . 1 . 1 11 11 ALA CA C 13 52.202 0.2 . 1 . . . . . 6 ALA CA . 26344 1 44 . 1 . 1 11 11 ALA CB C 13 19.207 0.2 . 1 . . . . . 6 ALA CB . 26344 1 45 . 1 . 1 11 11 ALA N N 15 124.533 0.05 . 1 . . . . . 6 ALA N . 26344 1 46 . 1 . 1 12 12 SER H H 1 8.264 0.01 . 1 . . . . . 7 SER H . 26344 1 47 . 1 . 1 12 12 SER C C 13 179.535 0.03 . 1 . . . . . 7 SER C . 26344 1 48 . 1 . 1 12 12 SER CA C 13 56.430 0.1 . 1 . . . . . 7 SER CA . 26344 1 49 . 1 . 1 12 12 SER CB C 13 63.584 0.1 . 1 . . . . . 7 SER CB . 26344 1 50 . 1 . 1 12 12 SER N N 15 116.454 0.05 . 1 . . . . . 7 SER N . 26344 1 51 . 1 . 1 15 15 PRO C C 13 176.830 0.03 . 1 . . . . . 10 PRO C . 26344 1 52 . 1 . 1 15 15 PRO CA C 13 62.794 0.2 . 1 . . . . . 10 PRO CA . 26344 1 53 . 1 . 1 15 15 PRO CB C 13 31.958 0.2 . 1 . . . . . 10 PRO CB . 26344 1 54 . 1 . 1 15 15 PRO CG C 13 27.921 0.1 . 1 . . . . . 10 PRO CG . 26344 1 55 . 1 . 1 16 16 LEU H H 1 8.305 0.01 . 1 . . . . . 11 LEU H . 26344 1 56 . 1 . 1 16 16 LEU C C 13 177.326 0.03 . 1 . . . . . 11 LEU C . 26344 1 57 . 1 . 1 16 16 LEU CA C 13 55.083 0.2 . 1 . . . . . 11 LEU CA . 26344 1 58 . 1 . 1 16 16 LEU CB C 13 42.451 0.2 . 1 . . . . . 11 LEU CB . 26344 1 59 . 1 . 1 16 16 LEU N N 15 122.390 0.05 . 1 . . . . . 11 LEU N . 26344 1 60 . 1 . 1 17 17 SER H H 1 8.298 0.01 . 1 . . . . . 12 SER H . 26344 1 61 . 1 . 1 17 17 SER C C 13 172.892 0.03 . 1 . . . . . 12 SER C . 26344 1 62 . 1 . 1 17 17 SER CA C 13 56.291 0.1 . 1 . . . . . 12 SER CA . 26344 1 63 . 1 . 1 17 17 SER CB C 13 63.576 0.1 . 1 . . . . . 12 SER CB . 26344 1 64 . 1 . 1 17 17 SER N N 15 117.901 0.05 . 1 . . . . . 12 SER N . 26344 1 65 . 1 . 1 18 18 PRO C C 13 176.877 0.03 . 1 . . . . . 13 PRO C . 26344 1 66 . 1 . 1 18 18 PRO CA C 13 63.310 0.2 . 1 . . . . . 13 PRO CA . 26344 1 67 . 1 . 1 18 18 PRO CB C 13 32.035 0.2 . 1 . . . . . 13 PRO CB . 26344 1 68 . 1 . 1 18 18 PRO CG C 13 27.941 0.1 . 1 . . . . . 13 PRO CG . 26344 1 69 . 1 . 1 19 19 LEU H H 1 8.157 0.01 . 1 . . . . . 14 LEU H . 26344 1 70 . 1 . 1 19 19 LEU C C 13 177.502 0.03 . 1 . . . . . 14 LEU C . 26344 1 71 . 1 . 1 19 19 LEU CA C 13 55.286 0.2 . 1 . . . . . 14 LEU CA . 26344 1 72 . 1 . 1 19 19 LEU CB C 13 42.414 0.2 . 1 . . . . . 14 LEU CB . 26344 1 73 . 1 . 1 19 19 LEU N N 15 121.164 0.05 . 1 . . . . . 14 LEU N . 26344 1 74 . 1 . 1 20 20 GLU H H 1 8.234 0.01 . 1 . . . . . 15 GLU H . 26344 1 75 . 1 . 1 20 20 GLU C C 13 176.303 0.03 . 1 . . . . . 15 GLU C . 26344 1 76 . 1 . 1 20 20 GLU CA C 13 56.501 0.2 . 1 . . . . . 15 GLU CA . 26344 1 77 . 1 . 1 20 20 GLU CB C 13 30.220 0.2 . 1 . . . . . 15 GLU CB . 26344 1 78 . 1 . 1 20 20 GLU CG C 13 36.880 0.1 . 1 . . . . . 15 GLU CG . 26344 1 79 . 1 . 1 20 20 GLU N N 15 121.411 0.05 . 1 . . . . . 15 GLU N . 26344 1 80 . 1 . 1 21 21 VAL H H 1 7.924 0.01 . 1 . . . . . 16 VAL H . 26344 1 81 . 1 . 1 21 21 VAL C C 13 175.800 0.03 . 1 . . . . . 16 VAL C . 26344 1 82 . 1 . 1 21 21 VAL CA C 13 62.028 0.2 . 1 . . . . . 16 VAL CA . 26344 1 83 . 1 . 1 21 21 VAL CB C 13 33.044 0.2 . 1 . . . . . 16 VAL CB . 26344 1 84 . 1 . 1 21 21 VAL CG1 C 13 20.825 0.1 . 2 . . . . . 16 VAL CG1 . 26344 1 85 . 1 . 1 21 21 VAL N N 15 120.131 0.05 . 1 . . . . . 16 VAL N . 26344 1 86 . 1 . 1 22 22 GLU H H 1 8.359 0.01 . 1 . . . . . 17 GLU H . 26344 1 87 . 1 . 1 22 22 GLU C C 13 176.055 0.03 . 1 . . . . . 17 GLU C . 26344 1 88 . 1 . 1 22 22 GLU CA C 13 56.238 0.2 . 1 . . . . . 17 GLU CA . 26344 1 89 . 1 . 1 22 22 GLU CB C 13 30.167 0.2 . 1 . . . . . 17 GLU CB . 26344 1 90 . 1 . 1 22 22 GLU CG C 13 36.793 0.1 . 1 . . . . . 17 GLU CG . 26344 1 91 . 1 . 1 22 22 GLU N N 15 124.266 0.05 . 1 . . . . . 17 GLU N . 26344 1 92 . 1 . 1 23 23 LEU H H 1 8.191 0.01 . 1 . . . . . 18 LEU H . 26344 1 93 . 1 . 1 23 23 LEU C C 13 176.725 0.03 . 1 . . . . . 18 LEU C . 26344 1 94 . 1 . 1 23 23 LEU CA C 13 54.632 0.2 . 1 . . . . . 18 LEU CA . 26344 1 95 . 1 . 1 23 23 LEU CB C 13 42.710 0.2 . 1 . . . . . 18 LEU CB . 26344 1 96 . 1 . 1 23 23 LEU N N 15 123.751 0.05 . 1 . . . . . 18 LEU N . 26344 1 97 . 1 . 1 24 24 ASP H H 1 8.330 0.01 . 1 . . . . . 19 ASP H . 26344 1 98 . 1 . 1 24 24 ASP C C 13 174.864 0.03 . 1 . . . . . 19 ASP C . 26344 1 99 . 1 . 1 24 24 ASP CA C 13 52.409 0.1 . 1 . . . . . 19 ASP CA . 26344 1 100 . 1 . 1 24 24 ASP CB C 13 41.276 0.1 . 1 . . . . . 19 ASP CB . 26344 1 101 . 1 . 1 24 24 ASP N N 15 123.090 0.05 . 1 . . . . . 19 ASP N . 26344 1 102 . 1 . 1 25 25 PRO C C 13 177.248 0.03 . 1 . . . . . 20 PRO C . 26344 1 103 . 1 . 1 25 25 PRO CA C 13 63.545 0.2 . 1 . . . . . 20 PRO CA . 26344 1 104 . 1 . 1 25 25 PRO CB C 13 32.092 0.2 . 1 . . . . . 20 PRO CB . 26344 1 105 . 1 . 1 25 25 PRO CG C 13 27.733 0.1 . 1 . . . . . 20 PRO CG . 26344 1 106 . 1 . 1 25 25 PRO CD C 13 51.371 0.1 . 1 . . . . . 20 PRO CD . 26344 1 107 . 1 . 1 26 26 GLU H H 1 8.458 0.01 . 1 . . . . . 21 GLU H . 26344 1 108 . 1 . 1 26 26 GLU C C 13 176.288 0.03 . 1 . . . . . 21 GLU C . 26344 1 109 . 1 . 1 26 26 GLU CA C 13 56.649 0.2 . 1 . . . . . 21 GLU CA . 26344 1 110 . 1 . 1 26 26 GLU CB C 13 29.855 0.2 . 1 . . . . . 21 GLU CB . 26344 1 111 . 1 . 1 26 26 GLU CG C 13 36.878 0.1 . 1 . . . . . 21 GLU CG . 26344 1 112 . 1 . 1 26 26 GLU N N 15 119.313 0.05 . 1 . . . . . 21 GLU N . 26344 1 113 . 1 . 1 27 27 PHE H H 1 7.953 0.01 . 1 . . . . . 22 PHE H . 26344 1 114 . 1 . 1 27 27 PHE C C 13 175.189 0.03 . 1 . . . . . 22 PHE C . 26344 1 115 . 1 . 1 27 27 PHE CA C 13 57.636 0.2 . 1 . . . . . 22 PHE CA . 26344 1 116 . 1 . 1 27 27 PHE CB C 13 39.767 0.2 . 1 . . . . . 22 PHE CB . 26344 1 117 . 1 . 1 27 27 PHE N N 15 120.148 0.05 . 1 . . . . . 22 PHE N . 26344 1 118 . 1 . 1 28 28 GLU H H 1 8.092 0.01 . 1 . . . . . 23 GLU H . 26344 1 119 . 1 . 1 28 28 GLU C C 13 174.196 0.03 . 1 . . . . . 23 GLU C . 26344 1 120 . 1 . 1 28 28 GLU CA C 13 54.308 0.1 . 1 . . . . . 23 GLU CA . 26344 1 121 . 1 . 1 28 28 GLU CB C 13 30.050 0.1 . 1 . . . . . 23 GLU CB . 26344 1 122 . 1 . 1 28 28 GLU N N 15 124.153 0.05 . 1 . . . . . 23 GLU N . 26344 1 123 . 1 . 1 29 29 PRO C C 13 177.316 0.03 . 1 . . . . . 24 PRO C . 26344 1 124 . 1 . 1 29 29 PRO CA C 13 63.487 0.2 . 1 . . . . . 24 PRO CA . 26344 1 125 . 1 . 1 29 29 PRO CB C 13 31.970 0.2 . 1 . . . . . 24 PRO CB . 26344 1 126 . 1 . 1 29 29 PRO CG C 13 27.884 0.1 . 1 . . . . . 24 PRO CG . 26344 1 127 . 1 . 1 29 29 PRO CD C 13 51.345 0.1 . 1 . . . . . 24 PRO CD . 26344 1 128 . 1 . 1 30 30 GLN H H 1 8.544 0.01 . 1 . . . . . 25 GLN H . 26344 1 129 . 1 . 1 30 30 GLN C C 13 176.174 0.03 . 1 . . . . . 25 GLN C . 26344 1 130 . 1 . 1 30 30 GLN CA C 13 55.979 0.2 . 1 . . . . . 25 GLN CA . 26344 1 131 . 1 . 1 30 30 GLN CB C 13 29.164 0.2 . 1 . . . . . 25 GLN CB . 26344 1 132 . 1 . 1 30 30 GLN N N 15 119.334 0.05 . 1 . . . . . 25 GLN N . 26344 1 133 . 1 . 1 31 31 SER H H 1 8.219 0.01 . 1 . . . . . 26 SER H . 26344 1 134 . 1 . 1 31 31 SER C C 13 174.052 0.03 . 1 . . . . . 26 SER C . 26344 1 135 . 1 . 1 31 31 SER CA C 13 58.182 0.2 . 1 . . . . . 26 SER CA . 26344 1 136 . 1 . 1 31 31 SER CB C 13 63.737 0.2 . 1 . . . . . 26 SER CB . 26344 1 137 . 1 . 1 31 31 SER N N 15 116.435 0.05 . 1 . . . . . 26 SER N . 26344 1 138 . 1 . 1 32 32 ARG H H 1 8.133 0.01 . 1 . . . . . 27 ARG H . 26344 1 139 . 1 . 1 32 32 ARG C C 13 173.978 0.03 . 1 . . . . . 27 ARG C . 26344 1 140 . 1 . 1 32 32 ARG CA C 13 54.059 0.1 . 1 . . . . . 27 ARG CA . 26344 1 141 . 1 . 1 32 32 ARG CB C 13 30.390 0.1 . 1 . . . . . 27 ARG CB . 26344 1 142 . 1 . 1 32 32 ARG N N 15 123.494 0.05 . 1 . . . . . 27 ARG N . 26344 1 143 . 1 . 1 33 33 PRO C C 13 176.825 0.03 . 1 . . . . . 28 PRO C . 26344 1 144 . 1 . 1 33 33 PRO CA C 13 63.040 0.2 . 1 . . . . . 28 PRO CA . 26344 1 145 . 1 . 1 33 33 PRO CB C 13 32.066 0.2 . 1 . . . . . 28 PRO CB . 26344 1 146 . 1 . 1 33 33 PRO CG C 13 27.965 0.1 . 1 . . . . . 28 PRO CG . 26344 1 147 . 1 . 1 34 34 ARG H H 1 8.455 0.01 . 1 . . . . . 29 ARG H . 26344 1 148 . 1 . 1 34 34 ARG C C 13 176.432 0.03 . 1 . . . . . 29 ARG C . 26344 1 149 . 1 . 1 34 34 ARG CA C 13 56.077 0.2 . 1 . . . . . 29 ARG CA . 26344 1 150 . 1 . 1 34 34 ARG CB C 13 30.968 0.2 . 1 . . . . . 29 ARG CB . 26344 1 151 . 1 . 1 34 34 ARG N N 15 121.655 0.05 . 1 . . . . . 29 ARG N . 26344 1 152 . 1 . 1 35 35 SER H H 1 8.524 0.01 . 1 . . . . . 30 SER H . 26344 1 153 . 1 . 1 35 35 SER C C 13 174.393 0.03 . 1 . . . . . 30 SER C . 26344 1 154 . 1 . 1 35 35 SER CA C 13 57.967 0.2 . 1 . . . . . 30 SER CA . 26344 1 155 . 1 . 1 35 35 SER CB C 13 63.842 0.2 . 1 . . . . . 30 SER CB . 26344 1 156 . 1 . 1 35 35 SER N N 15 117.567 0.05 . 1 . . . . . 30 SER N . 26344 1 157 . 1 . 1 36 36 CYS H H 1 8.429 0.01 . 1 . . . . . 31 CYS H . 26344 1 158 . 1 . 1 36 36 CYS C C 13 174.243 0.03 . 1 . . . . . 31 CYS C . 26344 1 159 . 1 . 1 36 36 CYS CA C 13 58.257 0.2 . 1 . . . . . 31 CYS CA . 26344 1 160 . 1 . 1 36 36 CYS CB C 13 28.440 0.2 . 1 . . . . . 31 CYS CB . 26344 1 161 . 1 . 1 36 36 CYS N N 15 120.425 0.05 . 1 . . . . . 31 CYS N . 26344 1 162 . 1 . 1 37 37 TPO H H 1 8.890 0.01 . 1 . . . . . 32 TPO H . 26344 1 163 . 1 . 1 37 37 TPO C C 13 172.706 0.03 . 1 . . . . . 32 TPO C . 26344 1 164 . 1 . 1 37 37 TPO CA C 13 62.874 0.2 . 1 . . . . . 32 TPO CA . 26344 1 165 . 1 . 1 37 37 TPO CB C 13 72.829 0.2 . 1 . . . . . 32 TPO CB . 26344 1 166 . 1 . 1 37 37 TPO N N 15 119.022 0.05 . 1 . . . . . 32 TPO N . 26344 1 167 . 1 . 1 38 38 TRP H H 1 8.153 0.01 . 1 . . . . . 33 TRP H . 26344 1 168 . 1 . 1 38 38 TRP C C 13 174.691 0.03 . 1 . . . . . 33 TRP C . 26344 1 169 . 1 . 1 38 38 TRP CB C 13 31.382 0.1 . 1 . . . . . 33 TRP CB . 26344 1 170 . 1 . 1 38 38 TRP N N 15 125.481 0.05 . 1 . . . . . 33 TRP N . 26344 1 171 . 1 . 1 39 39 PRO C C 13 175.636 0.03 . 1 . . . . . 34 PRO C . 26344 1 172 . 1 . 1 39 39 PRO CA C 13 62.302 0.2 . 1 . . . . . 34 PRO CA . 26344 1 173 . 1 . 1 39 39 PRO CB C 13 33.748 0.2 . 1 . . . . . 34 PRO CB . 26344 1 174 . 1 . 1 40 40 LEU H H 1 7.920 0.01 . 1 . . . . . 35 LEU H . 26344 1 175 . 1 . 1 40 40 LEU C C 13 177.315 0.03 . 1 . . . . . 35 LEU C . 26344 1 176 . 1 . 1 40 40 LEU CA C 13 55.263 0.2 . 1 . . . . . 35 LEU CA . 26344 1 177 . 1 . 1 40 40 LEU CB C 13 42.309 0.2 . 1 . . . . . 35 LEU CB . 26344 1 178 . 1 . 1 40 40 LEU N N 15 121.582 0.05 . 1 . . . . . 35 LEU N . 26344 1 179 . 1 . 1 41 41 GLN H H 1 8.233 0.01 . 1 . . . . . 36 GLN H . 26344 1 180 . 1 . 1 41 41 GLN C C 13 175.522 0.03 . 1 . . . . . 36 GLN C . 26344 1 181 . 1 . 1 41 41 GLN CA C 13 55.542 0.2 . 1 . . . . . 36 GLN CA . 26344 1 182 . 1 . 1 41 41 GLN CB C 13 29.569 0.2 . 1 . . . . . 36 GLN CB . 26344 1 183 . 1 . 1 41 41 GLN CG C 13 34.366 0.1 . 1 . . . . . 36 GLN CG . 26344 1 184 . 1 . 1 41 41 GLN N N 15 120.576 0.05 . 1 . . . . . 36 GLN N . 26344 1 185 . 1 . 1 42 42 ARG H H 1 8.296 0.01 . 1 . . . . . 37 ARG H . 26344 1 186 . 1 . 1 42 42 ARG C C 13 174.394 0.03 . 1 . . . . . 37 ARG C . 26344 1 187 . 1 . 1 42 42 ARG CA C 13 54.038 0.1 . 1 . . . . . 37 ARG CA . 26344 1 188 . 1 . 1 42 42 ARG CB C 13 30.048 0.1 . 1 . . . . . 37 ARG CB . 26344 1 189 . 1 . 1 42 42 ARG N N 15 123.325 0.05 . 1 . . . . . 37 ARG N . 26344 1 190 . 1 . 1 45 45 LEU C C 13 177.217 0.03 . 1 . . . . . 40 LEU C . 26344 1 191 . 1 . 1 45 45 LEU CA C 13 55.079 0.2 . 1 . . . . . 40 LEU CA . 26344 1 192 . 1 . 1 45 45 LEU CB C 13 42.249 0.2 . 1 . . . . . 40 LEU CB . 26344 1 193 . 1 . 1 45 45 LEU CG C 13 27.767 0.1 . 1 . . . . . 40 LEU CG . 26344 1 194 . 1 . 1 46 46 GLN H H 1 8.193 0.01 . 1 . . . . . 41 GLN H . 26344 1 195 . 1 . 1 46 46 GLN C C 13 175.443 0.03 . 1 . . . . . 41 GLN C . 26344 1 196 . 1 . 1 46 46 GLN CA C 13 55.552 0.2 . 1 . . . . . 41 GLN CA . 26344 1 197 . 1 . 1 46 46 GLN CB C 13 29.453 0.2 . 1 . . . . . 41 GLN CB . 26344 1 198 . 1 . 1 46 46 GLN CG C 13 34.412 0.1 . 1 . . . . . 41 GLN CG . 26344 1 199 . 1 . 1 46 46 GLN N N 15 120.934 0.05 . 1 . . . . . 41 GLN N . 26344 1 200 . 1 . 1 47 47 ALA H H 1 8.262 0.01 . 1 . . . . . 42 ALA H . 26344 1 201 . 1 . 1 47 47 ALA C C 13 177.434 0.03 . 1 . . . . . 42 ALA C . 26344 1 202 . 1 . 1 47 47 ALA CA C 13 52.205 0.2 . 1 . . . . . 42 ALA CA . 26344 1 203 . 1 . 1 47 47 ALA CB C 13 19.343 0.2 . 1 . . . . . 42 ALA CB . 26344 1 204 . 1 . 1 47 47 ALA N N 15 125.495 0.05 . 1 . . . . . 42 ALA N . 26344 1 205 . 1 . 1 48 48 SER H H 1 8.303 0.01 . 1 . . . . . 43 SER H . 26344 1 206 . 1 . 1 48 48 SER C C 13 179.696 0.03 . 1 . . . . . 43 SER C . 26344 1 207 . 1 . 1 48 48 SER CA C 13 56.510 0.1 . 1 . . . . . 43 SER CA . 26344 1 208 . 1 . 1 48 48 SER CB C 13 63.492 0.1 . 1 . . . . . 43 SER CB . 26344 1 209 . 1 . 1 48 48 SER N N 15 116.707 0.05 . 1 . . . . . 43 SER N . 26344 1 210 . 1 . 1 49 49 PRO C C 13 176.518 0.03 . 1 . . . . . 44 PRO C . 26344 1 211 . 1 . 1 49 49 PRO CA C 13 63.041 0.2 . 1 . . . . . 44 PRO CA . 26344 1 212 . 1 . 1 49 49 PRO CB C 13 32.015 0.2 . 1 . . . . . 44 PRO CB . 26344 1 213 . 1 . 1 50 50 ALA H H 1 8.299 0.01 . 1 . . . . . 45 ALA H . 26344 1 214 . 1 . 1 50 50 ALA C C 13 177.477 0.03 . 1 . . . . . 45 ALA C . 26344 1 215 . 1 . 1 50 50 ALA CA C 13 52.161 0.2 . 1 . . . . . 45 ALA CA . 26344 1 216 . 1 . 1 50 50 ALA CB C 13 19.174 0.2 . 1 . . . . . 45 ALA CB . 26344 1 217 . 1 . 1 50 50 ALA N N 15 124.386 0.05 . 1 . . . . . 45 ALA N . 26344 1 218 . 1 . 1 51 51 LYS H H 1 8.252 0.01 . 1 . . . . . 46 LYS H . 26344 1 219 . 1 . 1 51 51 LYS C C 13 174.625 0.03 . 1 . . . . . 46 LYS C . 26344 1 220 . 1 . 1 51 51 LYS CA C 13 54.085 0.1 . 1 . . . . . 46 LYS CA . 26344 1 221 . 1 . 1 51 51 LYS CB C 13 32.721 0.1 . 1 . . . . . 46 LYS CB . 26344 1 222 . 1 . 1 51 51 LYS N N 15 121.836 0.05 . 1 . . . . . 46 LYS N . 26344 1 223 . 1 . 1 52 52 PRO C C 13 177.068 0.03 . 1 . . . . . 47 PRO C . 26344 1 224 . 1 . 1 52 52 PRO CA C 13 63.159 0.2 . 1 . . . . . 47 PRO CA . 26344 1 225 . 1 . 1 52 52 PRO CB C 13 32.060 0.2 . 1 . . . . . 47 PRO CB . 26344 1 226 . 1 . 1 52 52 PRO CG C 13 27.899 0.1 . 1 . . . . . 47 PRO CG . 26344 1 227 . 1 . 1 53 53 SER H H 1 8.457 0.01 . 1 . . . . . 48 SER H . 26344 1 228 . 1 . 1 53 53 SER C C 13 175.226 0.03 . 1 . . . . . 48 SER C . 26344 1 229 . 1 . 1 53 53 SER CA C 13 58.448 0.2 . 1 . . . . . 48 SER CA . 26344 1 230 . 1 . 1 53 53 SER CB C 13 63.785 0.2 . 1 . . . . . 48 SER CB . 26344 1 231 . 1 . 1 53 53 SER N N 15 116.340 0.05 . 1 . . . . . 48 SER N . 26344 1 232 . 1 . 1 54 54 GLY H H 1 8.408 0.01 . 1 . . . . . 49 GLY H . 26344 1 233 . 1 . 1 54 54 GLY C C 13 174.193 0.03 . 1 . . . . . 49 GLY C . 26344 1 234 . 1 . 1 54 54 GLY CA C 13 45.302 0.2 . 1 . . . . . 49 GLY CA . 26344 1 235 . 1 . 1 54 54 GLY N N 15 110.670 0.05 . 1 . . . . . 49 GLY N . 26344 1 236 . 1 . 1 55 55 GLU H H 1 8.304 0.01 . 1 . . . . . 50 GLU H . 26344 1 237 . 1 . 1 55 55 GLU C C 13 176.798 0.03 . 1 . . . . . 50 GLU C . 26344 1 238 . 1 . 1 55 55 GLU CA C 13 56.579 0.2 . 1 . . . . . 50 GLU CA . 26344 1 239 . 1 . 1 55 55 GLU CB C 13 30.364 0.2 . 1 . . . . . 50 GLU CB . 26344 1 240 . 1 . 1 55 55 GLU N N 15 120.625 0.05 . 1 . . . . . 50 GLU N . 26344 1 241 . 1 . 1 56 56 THR H H 1 8.234 0.01 . 1 . . . . . 51 THR H . 26344 1 242 . 1 . 1 56 56 THR C C 13 174.348 0.03 . 1 . . . . . 51 THR C . 26344 1 243 . 1 . 1 56 56 THR CA C 13 61.605 0.2 . 1 . . . . . 51 THR CA . 26344 1 244 . 1 . 1 56 56 THR CB C 13 70.010 0.2 . 1 . . . . . 51 THR CB . 26344 1 245 . 1 . 1 56 56 THR CG2 C 13 22.201 0.1 . 1 . . . . . 51 THR CG2 . 26344 1 246 . 1 . 1 56 56 THR N N 15 115.427 0.05 . 1 . . . . . 51 THR N . 26344 1 247 . 1 . 1 57 57 ALA H H 1 8.374 0.01 . 1 . . . . . 52 ALA H . 26344 1 248 . 1 . 1 57 57 ALA C C 13 177.633 0.03 . 1 . . . . . 52 ALA C . 26344 1 249 . 1 . 1 57 57 ALA CA C 13 52.439 0.2 . 1 . . . . . 52 ALA CA . 26344 1 250 . 1 . 1 57 57 ALA CB C 13 19.154 0.2 . 1 . . . . . 52 ALA CB . 26344 1 251 . 1 . 1 57 57 ALA N N 15 126.931 0.05 . 1 . . . . . 52 ALA N . 26344 1 252 . 1 . 1 58 58 ALA H H 1 8.281 0.01 . 1 . . . . . 53 ALA H . 26344 1 253 . 1 . 1 58 58 ALA C C 13 177.746 0.03 . 1 . . . . . 53 ALA C . 26344 1 254 . 1 . 1 58 58 ALA CA C 13 52.685 0.2 . 1 . . . . . 53 ALA CA . 26344 1 255 . 1 . 1 58 58 ALA CB C 13 19.115 0.2 . 1 . . . . . 53 ALA CB . 26344 1 256 . 1 . 1 58 58 ALA N N 15 123.483 0.05 . 1 . . . . . 53 ALA N . 26344 1 257 . 1 . 1 59 59 ASP H H 1 8.226 0.01 . 1 . . . . . 54 ASP H . 26344 1 258 . 1 . 1 59 59 ASP C C 13 176.378 0.03 . 1 . . . . . 54 ASP C . 26344 1 259 . 1 . 1 59 59 ASP CA C 13 54.373 0.2 . 1 . . . . . 54 ASP CA . 26344 1 260 . 1 . 1 59 59 ASP CB C 13 41.038 0.2 . 1 . . . . . 54 ASP CB . 26344 1 261 . 1 . 1 59 59 ASP N N 15 118.978 0.05 . 1 . . . . . 54 ASP N . 26344 1 262 . 1 . 1 60 60 SER H H 1 8.081 0.01 . 1 . . . . . 55 SER H . 26344 1 263 . 1 . 1 60 60 SER C C 13 174.362 0.03 . 1 . . . . . 55 SER C . 26344 1 264 . 1 . 1 60 60 SER CA C 13 56.510 0.1 . 1 . . . . . 55 SER CA . 26344 1 265 . 1 . 1 60 60 SER CB C 13 63.492 0.1 . 1 . . . . . 55 SER CB . 26344 1 266 . 1 . 1 60 60 SER N N 15 115.411 0.05 . 1 . . . . . 55 SER N . 26344 1 267 . 1 . 1 72 72 GLU C C 13 176.740 0.03 . 1 . . . . . 67 GLU C . 26344 1 268 . 1 . 1 72 72 GLU CA C 13 57.161 0.2 . 1 . . . . . 67 GLU CA . 26344 1 269 . 1 . 1 72 72 GLU CB C 13 30.023 0.2 . 1 . . . . . 67 GLU CB . 26344 1 270 . 1 . 1 72 72 GLU CG C 13 36.692 0.1 . 1 . . . . . 67 GLU CG . 26344 1 271 . 1 . 1 73 73 ASP H H 1 8.395 0.01 . 1 . . . . . 68 ASP H . 26344 1 272 . 1 . 1 73 73 ASP C C 13 177.158 0.03 . 1 . . . . . 68 ASP C . 26344 1 273 . 1 . 1 73 73 ASP CA C 13 54.490 0.2 . 1 . . . . . 68 ASP CA . 26344 1 274 . 1 . 1 73 73 ASP CB C 13 41.165 0.2 . 1 . . . . . 68 ASP CB . 26344 1 275 . 1 . 1 73 73 ASP N N 15 120.767 0.05 . 1 . . . . . 68 ASP N . 26344 1 276 . 1 . 1 74 74 GLY H H 1 8.356 0.01 . 1 . . . . . 69 GLY H . 26344 1 277 . 1 . 1 74 74 GLY C C 13 175.436 0.03 . 1 . . . . . 69 GLY C . 26344 1 278 . 1 . 1 74 74 GLY CA C 13 45.837 0.2 . 1 . . . . . 69 GLY CA . 26344 1 279 . 1 . 1 74 74 GLY N N 15 109.759 0.05 . 1 . . . . . 69 GLY N . 26344 1 280 . 1 . 1 75 75 GLY H H 1 8.401 0.01 . 1 . . . . . 70 GLY H . 26344 1 281 . 1 . 1 75 75 GLY C C 13 175.144 0.03 . 1 . . . . . 70 GLY C . 26344 1 282 . 1 . 1 75 75 GLY CA C 13 45.419 0.2 . 1 . . . . . 70 GLY CA . 26344 1 283 . 1 . 1 75 75 GLY N N 15 108.979 0.05 . 1 . . . . . 70 GLY N . 26344 1 284 . 1 . 1 76 76 GLY H H 1 8.363 0.01 . 1 . . . . . 71 GLY H . 26344 1 285 . 1 . 1 76 76 GLY C C 13 174.630 0.03 . 1 . . . . . 71 GLY C . 26344 1 286 . 1 . 1 76 76 GLY CA C 13 45.457 0.2 . 1 . . . . . 71 GLY CA . 26344 1 287 . 1 . 1 76 76 GLY N N 15 109.027 0.05 . 1 . . . . . 71 GLY N . 26344 1 288 . 1 . 1 77 77 ARG H H 1 8.196 0.01 . 1 . . . . . 72 ARG H . 26344 1 289 . 1 . 1 77 77 ARG C C 13 176.537 0.03 . 1 . . . . . 72 ARG C . 26344 1 290 . 1 . 1 77 77 ARG CA C 13 56.191 0.2 . 1 . . . . . 72 ARG CA . 26344 1 291 . 1 . 1 77 77 ARG CB C 13 30.639 0.2 . 1 . . . . . 72 ARG CB . 26344 1 292 . 1 . 1 77 77 ARG N N 15 120.555 0.05 . 1 . . . . . 72 ARG N . 26344 1 293 . 1 . 1 78 78 ALA H H 1 8.375 0.01 . 1 . . . . . 73 ALA H . 26344 1 294 . 1 . 1 78 78 ALA C C 13 178.458 0.03 . 1 . . . . . 73 ALA C . 26344 1 295 . 1 . 1 78 78 ALA CA C 13 52.760 0.2 . 1 . . . . . 73 ALA CA . 26344 1 296 . 1 . 1 78 78 ALA CB C 13 19.005 0.2 . 1 . . . . . 73 ALA CB . 26344 1 297 . 1 . 1 78 78 ALA N N 15 124.890 0.05 . 1 . . . . . 73 ALA N . 26344 1 298 . 1 . 1 79 79 GLY H H 1 8.354 0.01 . 1 . . . . . 74 GLY H . 26344 1 299 . 1 . 1 79 79 GLY C C 13 174.533 0.03 . 1 . . . . . 74 GLY C . 26344 1 300 . 1 . 1 79 79 GLY CA C 13 45.384 0.2 . 1 . . . . . 74 GLY CA . 26344 1 301 . 1 . 1 79 79 GLY N N 15 108.215 0.05 . 1 . . . . . 74 GLY N . 26344 1 302 . 1 . 1 80 80 SER H H 1 8.134 0.01 . 1 . . . . . 75 SER H . 26344 1 303 . 1 . 1 80 80 SER C C 13 174.604 0.03 . 1 . . . . . 75 SER C . 26344 1 304 . 1 . 1 80 80 SER CA C 13 58.430 0.2 . 1 . . . . . 75 SER CA . 26344 1 305 . 1 . 1 80 80 SER CB C 13 63.876 0.2 . 1 . . . . . 75 SER CB . 26344 1 306 . 1 . 1 80 80 SER N N 15 115.586 0.05 . 1 . . . . . 75 SER N . 26344 1 307 . 1 . 1 81 81 ALA H H 1 8.346 0.01 . 1 . . . . . 76 ALA H . 26344 1 308 . 1 . 1 81 81 ALA C C 13 177.842 0.03 . 1 . . . . . 76 ALA C . 26344 1 309 . 1 . 1 81 81 ALA CA C 13 52.752 0.2 . 1 . . . . . 76 ALA CA . 26344 1 310 . 1 . 1 81 81 ALA CB C 13 18.981 0.2 . 1 . . . . . 76 ALA CB . 26344 1 311 . 1 . 1 81 81 ALA N N 15 125.697 0.05 . 1 . . . . . 76 ALA N . 26344 1 312 . 1 . 1 82 82 MET H H 1 8.161 0.01 . 1 . . . . . 77 MET H . 26344 1 313 . 1 . 1 82 82 MET C C 13 175.983 0.03 . 1 . . . . . 77 MET C . 26344 1 314 . 1 . 1 82 82 MET CA C 13 55.486 0.2 . 1 . . . . . 77 MET CA . 26344 1 315 . 1 . 1 82 82 MET CB C 13 32.926 0.2 . 1 . . . . . 77 MET CB . 26344 1 316 . 1 . 1 82 82 MET N N 15 118.830 0.05 . 1 . . . . . 77 MET N . 26344 1 317 . 1 . 1 83 83 ALA H H 1 8.170 0.01 . 1 . . . . . 78 ALA H . 26344 1 318 . 1 . 1 83 83 ALA C C 13 177.707 0.03 . 1 . . . . . 78 ALA C . 26344 1 319 . 1 . 1 83 83 ALA CA C 13 52.345 0.2 . 1 . . . . . 78 ALA CA . 26344 1 320 . 1 . 1 83 83 ALA CB C 13 19.051 0.2 . 1 . . . . . 78 ALA CB . 26344 1 321 . 1 . 1 83 83 ALA N N 15 125.233 0.05 . 1 . . . . . 78 ALA N . 26344 1 322 . 1 . 1 84 84 ILE H H 1 8.092 0.01 . 1 . . . . . 79 ILE H . 26344 1 323 . 1 . 1 84 84 ILE C C 13 177.050 0.03 . 1 . . . . . 79 ILE C . 26344 1 324 . 1 . 1 84 84 ILE CA C 13 61.308 0.2 . 1 . . . . . 79 ILE CA . 26344 1 325 . 1 . 1 84 84 ILE CB C 13 38.653 0.2 . 1 . . . . . 79 ILE CB . 26344 1 326 . 1 . 1 84 84 ILE CG1 C 13 27.930 0.1 . 1 . . . . . 79 ILE CG1 . 26344 1 327 . 1 . 1 84 84 ILE CD1 C 13 18.028 0.1 . 1 . . . . . 79 ILE CD1 . 26344 1 328 . 1 . 1 84 84 ILE N N 15 120.155 0.05 . 1 . . . . . 79 ILE N . 26344 1 329 . 1 . 1 85 85 GLY H H 1 8.470 0.01 . 1 . . . . . 80 GLY H . 26344 1 330 . 1 . 1 85 85 GLY C C 13 174.818 0.03 . 1 . . . . . 80 GLY C . 26344 1 331 . 1 . 1 85 85 GLY CA C 13 45.291 0.2 . 1 . . . . . 80 GLY CA . 26344 1 332 . 1 . 1 85 85 GLY N N 15 112.787 0.05 . 1 . . . . . 80 GLY N . 26344 1 333 . 1 . 1 86 86 GLY H H 1 8.293 0.01 . 1 . . . . . 81 GLY H . 26344 1 334 . 1 . 1 86 86 GLY C C 13 174.968 0.03 . 1 . . . . . 81 GLY C . 26344 1 335 . 1 . 1 86 86 GLY CA C 13 45.448 0.1 . 1 . . . . . 81 GLY CA . 26344 1 336 . 1 . 1 86 86 GLY N N 15 108.766 0.05 . 1 . . . . . 81 GLY N . 26344 1 337 . 1 . 1 88 88 GLY C C 13 174.893 0.03 . 1 . . . . . 83 GLY C . 26344 1 338 . 1 . 1 88 88 GLY CA C 13 45.312 0.2 . 1 . . . . . 83 GLY CA . 26344 1 339 . 1 . 1 89 89 GLY H H 1 8.333 0.01 . 1 . . . . . 84 GLY H . 26344 1 340 . 1 . 1 89 89 GLY C C 13 174.496 0.03 . 1 . . . . . 84 GLY C . 26344 1 341 . 1 . 1 89 89 GLY CA C 13 45.160 0.2 . 1 . . . . . 84 GLY CA . 26344 1 342 . 1 . 1 89 89 GLY N N 15 108.891 0.05 . 1 . . . . . 84 GLY N . 26344 1 343 . 1 . 1 90 90 SER H H 1 8.334 0.01 . 1 . . . . . 85 SER H . 26344 1 344 . 1 . 1 90 90 SER C C 13 175.256 0.03 . 1 . . . . . 85 SER C . 26344 1 345 . 1 . 1 90 90 SER CA C 13 58.572 0.2 . 1 . . . . . 85 SER CA . 26344 1 346 . 1 . 1 90 90 SER CB C 13 63.845 0.2 . 1 . . . . . 85 SER CB . 26344 1 347 . 1 . 1 90 90 SER N N 15 115.589 0.05 . 1 . . . . . 85 SER N . 26344 1 348 . 1 . 1 91 91 GLY H H 1 8.495 0.01 . 1 . . . . . 86 GLY H . 26344 1 349 . 1 . 1 91 91 GLY C C 13 174.455 0.03 . 1 . . . . . 86 GLY C . 26344 1 350 . 1 . 1 91 91 GLY CA C 13 45.388 0.2 . 1 . . . . . 86 GLY CA . 26344 1 351 . 1 . 1 91 91 GLY N N 15 110.901 0.05 . 1 . . . . . 86 GLY N . 26344 1 352 . 1 . 1 92 92 THR H H 1 8.061 0.01 . 1 . . . . . 87 THR H . 26344 1 353 . 1 . 1 92 92 THR C C 13 174.837 0.03 . 1 . . . . . 87 THR C . 26344 1 354 . 1 . 1 92 92 THR CA C 13 61.790 0.2 . 1 . . . . . 87 THR CA . 26344 1 355 . 1 . 1 92 92 THR CB C 13 69.801 0.2 . 1 . . . . . 87 THR CB . 26344 1 356 . 1 . 1 92 92 THR CG2 C 13 22.154 0.1 . 1 . . . . . 87 THR CG2 . 26344 1 357 . 1 . 1 92 92 THR N N 15 113.742 0.05 . 1 . . . . . 87 THR N . 26344 1 358 . 1 . 1 93 93 LEU H H 1 8.322 0.01 . 1 . . . . . 88 LEU H . 26344 1 359 . 1 . 1 93 93 LEU C C 13 177.965 0.03 . 1 . . . . . 88 LEU C . 26344 1 360 . 1 . 1 93 93 LEU CA C 13 55.481 0.2 . 1 . . . . . 88 LEU CA . 26344 1 361 . 1 . 1 93 93 LEU CB C 13 42.277 0.2 . 1 . . . . . 88 LEU CB . 26344 1 362 . 1 . 1 93 93 LEU N N 15 124.641 0.05 . 1 . . . . . 88 LEU N . 26344 1 363 . 1 . 1 94 94 GLY H H 1 8.409 0.01 . 1 . . . . . 89 GLY H . 26344 1 364 . 1 . 1 94 94 GLY C C 13 174.358 0.03 . 1 . . . . . 89 GLY C . 26344 1 365 . 1 . 1 94 94 GLY CA C 13 45.338 0.2 . 1 . . . . . 89 GLY CA . 26344 1 366 . 1 . 1 94 94 GLY N N 15 109.845 0.05 . 1 . . . . . 89 GLY N . 26344 1 367 . 1 . 1 95 95 SER H H 1 8.220 0.01 . 1 . . . . . 90 SER H . 26344 1 368 . 1 . 1 95 95 SER C C 13 175.244 0.03 . 1 . . . . . 90 SER C . 26344 1 369 . 1 . 1 95 95 SER CA C 13 58.572 0.2 . 1 . . . . . 90 SER CA . 26344 1 370 . 1 . 1 95 95 SER CB C 13 63.845 0.2 . 1 . . . . . 90 SER CB . 26344 1 371 . 1 . 1 95 95 SER N N 15 115.531 0.05 . 1 . . . . . 90 SER N . 26344 1 372 . 1 . 1 96 96 GLY H H 1 8.475 0.01 . 1 . . . . . 91 GLY H . 26344 1 373 . 1 . 1 96 96 GLY C C 13 174.007 0.03 . 1 . . . . . 91 GLY C . 26344 1 374 . 1 . 1 96 96 GLY CA C 13 45.386 0.2 . 1 . . . . . 91 GLY CA . 26344 1 375 . 1 . 1 96 96 GLY N N 15 110.850 0.05 . 1 . . . . . 91 GLY N . 26344 1 376 . 1 . 1 97 97 LEU H H 1 7.962 0.01 . 1 . . . . . 92 LEU H . 26344 1 377 . 1 . 1 97 97 LEU C C 13 177.061 0.03 . 1 . . . . . 92 LEU C . 26344 1 378 . 1 . 1 97 97 LEU CA C 13 55.173 0.2 . 1 . . . . . 92 LEU CA . 26344 1 379 . 1 . 1 97 97 LEU CB C 13 42.494 0.2 . 1 . . . . . 92 LEU CB . 26344 1 380 . 1 . 1 97 97 LEU CD1 C 13 25.303 0.1 . 2 . . . . . 92 LEU CD1 . 26344 1 381 . 1 . 1 97 97 LEU N N 15 121.378 0.05 . 1 . . . . . 92 LEU N . 26344 1 382 . 1 . 1 98 98 LEU H H 1 8.215 0.01 . 1 . . . . . 93 LEU H . 26344 1 383 . 1 . 1 98 98 LEU C C 13 177.050 0.03 . 1 . . . . . 93 LEU C . 26344 1 384 . 1 . 1 98 98 LEU CA C 13 54.898 0.2 . 1 . . . . . 93 LEU CA . 26344 1 385 . 1 . 1 98 98 LEU CB C 13 42.127 0.2 . 1 . . . . . 93 LEU CB . 26344 1 386 . 1 . 1 98 98 LEU CD1 C 13 25.502 0.1 . 2 . . . . . 93 LEU CD1 . 26344 1 387 . 1 . 1 98 98 LEU N N 15 122.984 0.05 . 1 . . . . . 93 LEU N . 26344 1 388 . 1 . 1 99 99 LEU H H 1 8.167 0.01 . 1 . . . . . 94 LEU H . 26344 1 389 . 1 . 1 99 99 LEU C C 13 177.438 0.03 . 1 . . . . . 94 LEU C . 26344 1 390 . 1 . 1 99 99 LEU CA C 13 55.103 0.1 . 1 . . . . . 94 LEU CA . 26344 1 391 . 1 . 1 99 99 LEU CB C 13 42.348 0.1 . 1 . . . . . 94 LEU CB . 26344 1 392 . 1 . 1 99 99 LEU N N 15 123.389 0.05 . 1 . . . . . 94 LEU N . 26344 1 393 . 1 . 1 101 101 ASP C C 13 176.886 0.03 . 1 . . . . . 96 ASP C . 26344 1 394 . 1 . 1 101 101 ASP CA C 13 54.682 0.2 . 1 . . . . . 96 ASP CA . 26344 1 395 . 1 . 1 101 101 ASP CB C 13 41.159 0.2 . 1 . . . . . 96 ASP CB . 26344 1 396 . 1 . 1 102 102 SER H H 1 8.241 0.01 . 1 . . . . . 97 SER H . 26344 1 397 . 1 . 1 102 102 SER C C 13 174.642 0.03 . 1 . . . . . 97 SER C . 26344 1 398 . 1 . 1 102 102 SER CA C 13 59.233 0.2 . 1 . . . . . 97 SER CA . 26344 1 399 . 1 . 1 102 102 SER CB C 13 63.510 0.2 . 1 . . . . . 97 SER CB . 26344 1 400 . 1 . 1 102 102 SER N N 15 116.548 0.05 . 1 . . . . . 97 SER N . 26344 1 401 . 1 . 1 103 103 ALA H H 1 8.203 0.01 . 1 . . . . . 98 ALA H . 26344 1 402 . 1 . 1 103 103 ALA C C 13 177.813 0.03 . 1 . . . . . 98 ALA C . 26344 1 403 . 1 . 1 103 103 ALA CA C 13 52.680 0.2 . 1 . . . . . 98 ALA CA . 26344 1 404 . 1 . 1 103 103 ALA CB C 13 18.985 0.2 . 1 . . . . . 98 ALA CB . 26344 1 405 . 1 . 1 103 103 ALA N N 15 124.816 0.05 . 1 . . . . . 98 ALA N . 26344 1 406 . 1 . 1 104 104 ARG H H 1 7.959 0.01 . 1 . . . . . 99 ARG H . 26344 1 407 . 1 . 1 104 104 ARG C C 13 176.203 0.03 . 1 . . . . . 99 ARG C . 26344 1 408 . 1 . 1 104 104 ARG CA C 13 56.209 0.2 . 1 . . . . . 99 ARG CA . 26344 1 409 . 1 . 1 104 104 ARG CB C 13 30.710 0.2 . 1 . . . . . 99 ARG CB . 26344 1 410 . 1 . 1 104 104 ARG CG C 13 27.729 0.1 . 1 . . . . . 99 ARG CG . 26344 1 411 . 1 . 1 104 104 ARG CD C 13 43.936 0.1 . 1 . . . . . 99 ARG CD . 26344 1 412 . 1 . 1 104 104 ARG N N 15 119.414 0.05 . 1 . . . . . 99 ARG N . 26344 1 413 . 1 . 1 105 105 VAL H H 1 8.005 0.01 . 1 . . . . . 100 VAL H . 26344 1 414 . 1 . 1 105 105 VAL C C 13 175.952 0.03 . 1 . . . . . 100 VAL C . 26344 1 415 . 1 . 1 105 105 VAL CA C 13 62.308 0.2 . 1 . . . . . 100 VAL CA . 26344 1 416 . 1 . 1 105 105 VAL CB C 13 32.565 0.2 . 1 . . . . . 100 VAL CB . 26344 1 417 . 1 . 1 105 105 VAL CG1 C 13 21.504 0.1 . 2 . . . . . 100 VAL CG1 . 26344 1 418 . 1 . 1 105 105 VAL N N 15 121.043 0.05 . 1 . . . . . 100 VAL N . 26344 1 419 . 1 . 1 106 106 LEU H H 1 8.231 0.01 . 1 . . . . . 101 LEU H . 26344 1 420 . 1 . 1 106 106 LEU C C 13 176.496 0.03 . 1 . . . . . 101 LEU C . 26344 1 421 . 1 . 1 106 106 LEU CA C 13 54.674 0.2 . 1 . . . . . 101 LEU CA . 26344 1 422 . 1 . 1 106 106 LEU CB C 13 42.423 0.2 . 1 . . . . . 101 LEU CB . 26344 1 423 . 1 . 1 106 106 LEU N N 15 126.060 0.05 . 1 . . . . . 101 LEU N . 26344 1 424 . 1 . 1 107 107 ALA H H 1 8.203 0.01 . 1 . . . . . 102 ALA H . 26344 1 425 . 1 . 1 107 107 ALA C C 13 175.433 0.03 . 1 . . . . . 102 ALA C . 26344 1 426 . 1 . 1 107 107 ALA CA C 13 50.400 0.1 . 1 . . . . . 102 ALA CA . 26344 1 427 . 1 . 1 107 107 ALA CB C 13 18.332 0.1 . 1 . . . . . 102 ALA CB . 26344 1 428 . 1 . 1 107 107 ALA N N 15 126.158 0.05 . 1 . . . . . 102 ALA N . 26344 1 429 . 1 . 1 108 108 PRO C C 13 177.773 0.03 . 1 . . . . . 103 PRO C . 26344 1 430 . 1 . 1 108 108 PRO CA C 13 63.418 0.2 . 1 . . . . . 103 PRO CA . 26344 1 431 . 1 . 1 108 108 PRO CB C 13 31.963 0.2 . 1 . . . . . 103 PRO CB . 26344 1 432 . 1 . 1 108 108 PRO CG C 13 27.939 0.1 . 1 . . . . . 103 PRO CG . 26344 1 433 . 1 . 1 109 109 GLY H H 1 8.488 0.01 . 1 . . . . . 104 GLY H . 26344 1 434 . 1 . 1 109 109 GLY C C 13 174.900 0.03 . 1 . . . . . 104 GLY C . 26344 1 435 . 1 . 1 109 109 GLY CA C 13 45.335 0.2 . 1 . . . . . 104 GLY CA . 26344 1 436 . 1 . 1 109 109 GLY N N 15 109.485 0.05 . 1 . . . . . 104 GLY N . 26344 1 437 . 1 . 1 110 110 GLY H H 1 8.262 0.01 . 1 . . . . . 105 GLY H . 26344 1 438 . 1 . 1 110 110 GLY C C 13 174.049 0.03 . 1 . . . . . 105 GLY C . 26344 1 439 . 1 . 1 110 110 GLY CA C 13 45.269 0.2 . 1 . . . . . 105 GLY CA . 26344 1 440 . 1 . 1 110 110 GLY N N 15 108.594 0.05 . 1 . . . . . 105 GLY N . 26344 1 441 . 1 . 1 111 111 GLN H H 1 8.219 0.01 . 1 . . . . . 106 GLN H . 26344 1 442 . 1 . 1 111 111 GLN C C 13 175.431 0.03 . 1 . . . . . 106 GLN C . 26344 1 443 . 1 . 1 111 111 GLN CA C 13 55.413 0.2 . 1 . . . . . 106 GLN CA . 26344 1 444 . 1 . 1 111 111 GLN CB C 13 29.712 0.2 . 1 . . . . . 106 GLN CB . 26344 1 445 . 1 . 1 111 111 GLN CG C 13 34.344 0.1 . 1 . . . . . 106 GLN CG . 26344 1 446 . 1 . 1 111 111 GLN N N 15 119.405 0.05 . 1 . . . . . 106 GLN N . 26344 1 447 . 1 . 1 112 112 ASP H H 1 8.440 0.01 . 1 . . . . . 107 ASP H . 26344 1 448 . 1 . 1 112 112 ASP C C 13 175.018 0.03 . 1 . . . . . 107 ASP C . 26344 1 449 . 1 . 1 112 112 ASP CA C 13 52.484 0.1 . 1 . . . . . 107 ASP CA . 26344 1 450 . 1 . 1 112 112 ASP CB C 13 41.303 0.1 . 1 . . . . . 107 ASP CB . 26344 1 451 . 1 . 1 112 112 ASP N N 15 123.430 0.05 . 1 . . . . . 107 ASP N . 26344 1 452 . 1 . 1 113 113 PRO C C 13 177.695 0.03 . 1 . . . . . 108 PRO C . 26344 1 453 . 1 . 1 113 113 PRO CA C 13 63.703 0.2 . 1 . . . . . 108 PRO CA . 26344 1 454 . 1 . 1 113 113 PRO CB C 13 32.005 0.2 . 1 . . . . . 108 PRO CB . 26344 1 455 . 1 . 1 113 113 PRO CG C 13 27.704 0.1 . 1 . . . . . 108 PRO CG . 26344 1 456 . 1 . 1 113 113 PRO CD C 13 51.378 0.1 . 1 . . . . . 108 PRO CD . 26344 1 457 . 1 . 1 114 114 GLY H H 1 8.537 0.01 . 1 . . . . . 109 GLY H . 26344 1 458 . 1 . 1 114 114 GLY C C 13 174.384 0.03 . 1 . . . . . 109 GLY C . 26344 1 459 . 1 . 1 114 114 GLY CA C 13 45.334 0.2 . 1 . . . . . 109 GLY CA . 26344 1 460 . 1 . 1 114 114 GLY N N 15 108.752 0.05 . 1 . . . . . 109 GLY N . 26344 1 461 . 1 . 1 115 115 SER H H 1 8.072 0.01 . 1 . . . . . 110 SER H . 26344 1 462 . 1 . 1 115 115 SER C C 13 174.673 0.03 . 1 . . . . . 110 SER C . 26344 1 463 . 1 . 1 115 115 SER CA C 13 58.219 0.2 . 1 . . . . . 110 SER CA . 26344 1 464 . 1 . 1 115 115 SER CB C 13 64.055 0.2 . 1 . . . . . 110 SER CB . 26344 1 465 . 1 . 1 115 115 SER N N 15 115.363 0.05 . 1 . . . . . 110 SER N . 26344 1 466 . 1 . 1 116 116 GLY H H 1 8.253 0.01 . 1 . . . . . 111 GLY H . 26344 1 467 . 1 . 1 116 116 GLY C C 13 178.848 0.03 . 1 . . . . . 111 GLY C . 26344 1 468 . 1 . 1 116 116 GLY CA C 13 44.802 0.1 . 1 . . . . . 111 GLY CA . 26344 1 469 . 1 . 1 116 116 GLY N N 15 110.688 0.05 . 1 . . . . . 111 GLY N . 26344 1 470 . 1 . 1 117 117 PRO C C 13 177.093 0.03 . 1 . . . . . 112 PRO C . 26344 1 471 . 1 . 1 117 117 PRO CA C 13 63.184 0.2 . 1 . . . . . 112 PRO CA . 26344 1 472 . 1 . 1 117 117 PRO CB C 13 32.075 0.2 . 1 . . . . . 112 PRO CB . 26344 1 473 . 1 . 1 117 117 PRO CG C 13 27.729 0.1 . 1 . . . . . 112 PRO CG . 26344 1 474 . 1 . 1 117 117 PRO CD C 13 50.288 0.1 . 1 . . . . . 112 PRO CD . 26344 1 475 . 1 . 1 118 118 ALA H H 1 8.436 0.01 . 1 . . . . . 113 ALA H . 26344 1 476 . 1 . 1 118 118 ALA C C 13 178.176 0.03 . 1 . . . . . 113 ALA C . 26344 1 477 . 1 . 1 118 118 ALA CA C 13 52.614 0.2 . 1 . . . . . 113 ALA CA . 26344 1 478 . 1 . 1 118 118 ALA CB C 13 18.984 0.2 . 1 . . . . . 113 ALA CB . 26344 1 479 . 1 . 1 118 118 ALA N N 15 124.006 0.05 . 1 . . . . . 113 ALA N . 26344 1 480 . 1 . 1 119 119 THR H H 1 8.018 0.01 . 1 . . . . . 114 THR H . 26344 1 481 . 1 . 1 119 119 THR C C 13 174.486 0.03 . 1 . . . . . 114 THR C . 26344 1 482 . 1 . 1 119 119 THR CA C 13 61.667 0.2 . 1 . . . . . 114 THR CA . 26344 1 483 . 1 . 1 119 119 THR CB C 13 69.911 0.2 . 1 . . . . . 114 THR CB . 26344 1 484 . 1 . 1 119 119 THR CG2 C 13 22.090 0.1 . 1 . . . . . 114 THR CG2 . 26344 1 485 . 1 . 1 119 119 THR N N 15 112.871 0.05 . 1 . . . . . 114 THR N . 26344 1 486 . 1 . 1 120 120 ALA H H 1 8.251 0.01 . 1 . . . . . 115 ALA H . 26344 1 487 . 1 . 1 120 120 ALA C C 13 177.559 0.03 . 1 . . . . . 115 ALA C . 26344 1 488 . 1 . 1 120 120 ALA CA C 13 52.461 0.2 . 1 . . . . . 115 ALA CA . 26344 1 489 . 1 . 1 120 120 ALA CB C 13 19.113 0.2 . 1 . . . . . 115 ALA CB . 26344 1 490 . 1 . 1 120 120 ALA N N 15 126.313 0.05 . 1 . . . . . 115 ALA N . 26344 1 491 . 1 . 1 121 121 ALA H H 1 8.248 0.01 . 1 . . . . . 116 ALA H . 26344 1 492 . 1 . 1 121 121 ALA C C 13 178.353 0.03 . 1 . . . . . 116 ALA C . 26344 1 493 . 1 . 1 121 121 ALA CA C 13 52.628 0.2 . 1 . . . . . 116 ALA CA . 26344 1 494 . 1 . 1 121 121 ALA CB C 13 19.085 0.2 . 1 . . . . . 116 ALA CB . 26344 1 495 . 1 . 1 121 121 ALA N N 15 123.419 0.05 . 1 . . . . . 116 ALA N . 26344 1 496 . 1 . 1 122 122 GLY H H 1 8.315 0.01 . 1 . . . . . 117 GLY H . 26344 1 497 . 1 . 1 122 122 GLY C C 13 174.805 0.03 . 1 . . . . . 117 GLY C . 26344 1 498 . 1 . 1 122 122 GLY CA C 13 45.342 0.2 . 1 . . . . . 117 GLY CA . 26344 1 499 . 1 . 1 122 122 GLY N N 15 108.049 0.05 . 1 . . . . . 117 GLY N . 26344 1 500 . 1 . 1 123 123 GLY H H 1 8.206 0.01 . 1 . . . . . 118 GLY H . 26344 1 501 . 1 . 1 123 123 GLY C C 13 174.349 0.03 . 1 . . . . . 118 GLY C . 26344 1 502 . 1 . 1 123 123 GLY CA C 13 45.229 0.2 . 1 . . . . . 118 GLY CA . 26344 1 503 . 1 . 1 123 123 GLY N N 15 108.472 0.05 . 1 . . . . . 118 GLY N . 26344 1 504 . 1 . 1 124 124 LEU H H 1 8.170 0.01 . 1 . . . . . 119 LEU H . 26344 1 505 . 1 . 1 124 124 LEU C C 13 177.797 0.03 . 1 . . . . . 119 LEU C . 26344 1 506 . 1 . 1 124 124 LEU CA C 13 55.231 0.2 . 1 . . . . . 119 LEU CA . 26344 1 507 . 1 . 1 124 124 LEU CB C 13 42.372 0.2 . 1 . . . . . 119 LEU CB . 26344 1 508 . 1 . 1 124 124 LEU N N 15 121.617 0.05 . 1 . . . . . 119 LEU N . 26344 1 509 . 1 . 1 125 125 SER H H 1 8.342 0.01 . 1 . . . . . 120 SER H . 26344 1 510 . 1 . 1 125 125 SER C C 13 175.150 0.03 . 1 . . . . . 120 SER C . 26344 1 511 . 1 . 1 125 125 SER CA C 13 58.448 0.2 . 1 . . . . . 120 SER CA . 26344 1 512 . 1 . 1 125 125 SER CB C 13 63.785 0.2 . 1 . . . . . 120 SER CB . 26344 1 513 . 1 . 1 125 125 SER N N 15 116.393 0.05 . 1 . . . . . 120 SER N . 26344 1 514 . 1 . 1 126 126 GLY H H 1 8.393 0.01 . 1 . . . . . 121 GLY H . 26344 1 515 . 1 . 1 126 126 GLY C C 13 174.762 0.03 . 1 . . . . . 121 GLY C . 26344 1 516 . 1 . 1 126 126 GLY CA C 13 45.335 0.2 . 1 . . . . . 121 GLY CA . 26344 1 517 . 1 . 1 126 126 GLY N N 15 110.765 0.05 . 1 . . . . . 121 GLY N . 26344 1 518 . 1 . 1 127 127 GLY H H 1 8.263 0.01 . 1 . . . . . 122 GLY H . 26344 1 519 . 1 . 1 127 127 GLY C C 13 174.619 0.03 . 1 . . . . . 122 GLY C . 26344 1 520 . 1 . 1 127 127 GLY CA C 13 45.254 0.2 . 1 . . . . . 122 GLY CA . 26344 1 521 . 1 . 1 127 127 GLY N N 15 108.601 0.05 . 1 . . . . . 122 GLY N . 26344 1 522 . 1 . 1 128 128 THR H H 1 8.110 0.01 . 1 . . . . . 123 THR H . 26344 1 523 . 1 . 1 128 128 THR C C 13 174.908 0.03 . 1 . . . . . 123 THR C . 26344 1 524 . 1 . 1 128 128 THR CA C 13 62.120 0.2 . 1 . . . . . 123 THR CA . 26344 1 525 . 1 . 1 128 128 THR CB C 13 69.619 0.2 . 1 . . . . . 123 THR CB . 26344 1 526 . 1 . 1 128 128 THR CG2 C 13 22.200 0.1 . 1 . . . . . 123 THR CG2 . 26344 1 527 . 1 . 1 128 128 THR N N 15 113.746 0.05 . 1 . . . . . 123 THR N . 26344 1 528 . 1 . 1 129 129 GLN H H 1 8.421 0.01 . 1 . . . . . 124 GLN H . 26344 1 529 . 1 . 1 129 129 GLN C C 13 175.776 0.03 . 1 . . . . . 124 GLN C . 26344 1 530 . 1 . 1 129 129 GLN CA C 13 55.992 0.2 . 1 . . . . . 124 GLN CA . 26344 1 531 . 1 . 1 129 129 GLN CB C 13 29.318 0.2 . 1 . . . . . 124 GLN CB . 26344 1 532 . 1 . 1 129 129 GLN CG C 13 34.417 0.1 . 1 . . . . . 124 GLN CG . 26344 1 533 . 1 . 1 129 129 GLN N N 15 122.649 0.05 . 1 . . . . . 124 GLN N . 26344 1 534 . 1 . 1 130 130 ALA H H 1 8.216 0.01 . 1 . . . . . 125 ALA H . 26344 1 535 . 1 . 1 130 130 ALA C C 13 177.523 0.03 . 1 . . . . . 125 ALA C . 26344 1 536 . 1 . 1 130 130 ALA CA C 13 52.568 0.2 . 1 . . . . . 125 ALA CA . 26344 1 537 . 1 . 1 130 130 ALA CB C 13 19.019 0.2 . 1 . . . . . 125 ALA CB . 26344 1 538 . 1 . 1 130 130 ALA N N 15 124.810 0.05 . 1 . . . . . 125 ALA N . 26344 1 539 . 1 . 1 131 131 LEU H H 1 8.063 0.01 . 1 . . . . . 126 LEU H . 26344 1 540 . 1 . 1 131 131 LEU C C 13 177.170 0.03 . 1 . . . . . 126 LEU C . 26344 1 541 . 1 . 1 131 131 LEU CA C 13 55.074 0.2 . 1 . . . . . 126 LEU CA . 26344 1 542 . 1 . 1 131 131 LEU CB C 13 42.294 0.2 . 1 . . . . . 126 LEU CB . 26344 1 543 . 1 . 1 131 131 LEU CG C 13 25.440 0.1 . 4 1 . . . . 126 LEU CG . 26344 1 544 . 1 . 1 131 131 LEU CD1 C 13 24.073 0.1 . 4 1 . . . . 126 LEU CD1 . 26344 1 545 . 1 . 1 131 131 LEU N N 15 120.811 0.05 . 1 . . . . . 126 LEU N . 26344 1 546 . 1 . 1 132 132 LEU H H 1 8.082 0.01 . 1 . . . . . 127 LEU H . 26344 1 547 . 1 . 1 132 132 LEU C C 13 176.953 0.03 . 1 . . . . . 127 LEU C . 26344 1 548 . 1 . 1 132 132 LEU CA C 13 55.014 0.2 . 1 . . . . . 127 LEU CA . 26344 1 549 . 1 . 1 132 132 LEU CB C 13 42.258 0.2 . 1 . . . . . 127 LEU CB . 26344 1 550 . 1 . 1 132 132 LEU N N 15 122.746 0.05 . 1 . . . . . 127 LEU N . 26344 1 551 . 1 . 1 133 133 GLN H H 1 8.224 0.01 . 1 . . . . . 128 GLN H . 26344 1 552 . 1 . 1 133 133 GLN C C 13 173.847 0.03 . 1 . . . . . 128 GLN C . 26344 1 553 . 1 . 1 133 133 GLN CA C 13 53.583 0.1 . 1 . . . . . 128 GLN CA . 26344 1 554 . 1 . 1 133 133 GLN CB C 13 29.060 0.1 . 1 . . . . . 128 GLN CB . 26344 1 555 . 1 . 1 133 133 GLN N N 15 121.911 0.05 . 1 . . . . . 128 GLN N . 26344 1 556 . 1 . 1 143 143 PRO C C 13 177.639 0.03 . 1 . . . . . 138 PRO C . 26344 1 557 . 1 . 1 143 143 PRO CA C 13 63.418 0.2 . 1 . . . . . 138 PRO CA . 26344 1 558 . 1 . 1 143 143 PRO CB C 13 31.963 0.2 . 1 . . . . . 138 PRO CB . 26344 1 559 . 1 . 1 143 143 PRO CG C 13 27.939 0.1 . 1 . . . . . 138 PRO CG . 26344 1 560 . 1 . 1 144 144 GLY H H 1 8.485 0.01 . 1 . . . . . 139 GLY H . 26344 1 561 . 1 . 1 144 144 GLY C C 13 174.095 0.03 . 1 . . . . . 139 GLY C . 26344 1 562 . 1 . 1 144 144 GLY CA C 13 45.134 0.2 . 1 . . . . . 139 GLY CA . 26344 1 563 . 1 . 1 144 144 GLY N N 15 109.577 0.05 . 1 . . . . . 139 GLY N . 26344 1 564 . 1 . 1 145 145 ALA H H 1 8.076 0.01 . 1 . . . . . 140 ALA H . 26344 1 565 . 1 . 1 145 145 ALA C C 13 177.765 0.03 . 1 . . . . . 140 ALA C . 26344 1 566 . 1 . 1 145 145 ALA CA C 13 52.374 0.2 . 1 . . . . . 140 ALA CA . 26344 1 567 . 1 . 1 145 145 ALA CB C 13 19.264 0.2 . 1 . . . . . 140 ALA CB . 26344 1 568 . 1 . 1 145 145 ALA N N 15 123.801 0.05 . 1 . . . . . 140 ALA N . 26344 1 569 . 1 . 1 146 146 ALA H H 1 8.345 0.01 . 1 . . . . . 141 ALA H . 26344 1 570 . 1 . 1 146 146 ALA C C 13 178.375 0.03 . 1 . . . . . 141 ALA C . 26344 1 571 . 1 . 1 146 146 ALA CA C 13 52.760 0.2 . 1 . . . . . 141 ALA CA . 26344 1 572 . 1 . 1 146 146 ALA CB C 13 19.005 0.2 . 1 . . . . . 141 ALA CB . 26344 1 573 . 1 . 1 146 146 ALA N N 15 123.442 0.05 . 1 . . . . . 141 ALA N . 26344 1 574 . 1 . 1 147 147 GLY H H 1 8.336 0.01 . 1 . . . . . 142 GLY H . 26344 1 575 . 1 . 1 147 147 GLY C C 13 174.840 0.03 . 1 . . . . . 142 GLY C . 26344 1 576 . 1 . 1 147 147 GLY CA C 13 45.488 0.1 . 1 . . . . . 142 GLY CA . 26344 1 577 . 1 . 1 147 147 GLY N N 15 108.161 0.05 . 1 . . . . . 142 GLY N . 26344 1 578 . 1 . 1 148 148 GLY H H 1 8.235 0.01 . 1 . . . . . 143 GLY H . 26344 1 579 . 1 . 1 148 148 GLY C C 13 174.413 0.03 . 1 . . . . . 143 GLY C . 26344 1 580 . 1 . 1 148 148 GLY CA C 13 45.160 0.2 . 1 . . . . . 143 GLY CA . 26344 1 581 . 1 . 1 148 148 GLY N N 15 108.704 0.05 . 1 . . . . . 143 GLY N . 26344 1 582 . 1 . 1 149 149 SER H H 1 8.351 0.01 . 1 . . . . . 144 SER H . 26344 1 583 . 1 . 1 149 149 SER C C 13 175.202 0.03 . 1 . . . . . 144 SER C . 26344 1 584 . 1 . 1 149 149 SER CA C 13 58.452 0.2 . 1 . . . . . 144 SER CA . 26344 1 585 . 1 . 1 149 149 SER CB C 13 63.889 0.2 . 1 . . . . . 144 SER CB . 26344 1 586 . 1 . 1 149 149 SER N N 15 115.573 0.05 . 1 . . . . . 144 SER N . 26344 1 587 . 1 . 1 150 150 GLY H H 1 8.505 0.01 . 1 . . . . . 145 GLY H . 26344 1 588 . 1 . 1 150 150 GLY C C 13 173.351 0.03 . 1 . . . . . 145 GLY C . 26344 1 589 . 1 . 1 150 150 GLY CA C 13 45.412 0.2 . 1 . . . . . 145 GLY CA . 26344 1 590 . 1 . 1 150 150 GLY N N 15 111.350 0.05 . 1 . . . . . 145 GLY N . 26344 1 591 . 1 . 1 151 151 GLN H H 1 7.836 0.01 . 1 . . . . . 146 GLN H . 26344 1 592 . 1 . 1 151 151 GLN C C 13 173.601 0.03 . 1 . . . . . 146 GLN C . 26344 1 593 . 1 . 1 151 151 GLN CA C 13 57.227 0.1 . 1 . . . . . 146 GLN CA . 26344 1 594 . 1 . 1 151 151 GLN CB C 13 30.516 0.1 . 1 . . . . . 146 GLN CB . 26344 1 595 . 1 . 1 151 151 GLN N N 15 124.682 0.05 . 1 . . . . . 146 GLN N . 26344 1 596 . 2 . 2 1 1 SER H H 1 8.371 0.01 . 1 . . . . . 30 SER H . 26344 1 597 . 2 . 2 1 1 SER C C 13 174.422 0.03 . 1 . . . . . 30 SER C . 26344 1 598 . 2 . 2 1 1 SER CA C 13 57.949 0.2 . 1 . . . . . 30 SER CA . 26344 1 599 . 2 . 2 1 1 SER CB C 13 63.654 0.2 . 1 . . . . . 30 SER CB . 26344 1 600 . 2 . 2 1 1 SER N N 15 117.368 0.05 . 1 . . . . . 30 SER N . 26344 1 601 . 2 . 2 2 2 CYS H H 1 8.373 0.01 . 1 . . . . . 31 CYS H . 26344 1 602 . 2 . 2 2 2 CYS C C 13 174.283 0.03 . 1 . . . . . 31 CYS C . 26344 1 603 . 2 . 2 2 2 CYS CA C 13 58.184 0.2 . 1 . . . . . 31 CYS CA . 26344 1 604 . 2 . 2 2 2 CYS CB C 13 28.236 0.2 . 1 . . . . . 31 CYS CB . 26344 1 605 . 2 . 2 2 2 CYS N N 15 120.840 0.05 . 1 . . . . . 31 CYS N . 26344 1 606 . 2 . 2 3 3 TPO H H 1 8.806 0.01 . 1 . . . . . 32 TPO H . 26344 1 607 . 2 . 2 3 3 TPO C C 13 173.658 0.03 . 1 . . . . . 32 TPO C . 26344 1 608 . 2 . 2 3 3 TPO CA C 13 62.843 0.2 . 1 . . . . . 32 TPO CA . 26344 1 609 . 2 . 2 3 3 TPO CB C 13 72.696 0.2 . 1 . . . . . 32 TPO CB . 26344 1 610 . 2 . 2 3 3 TPO CG2 C 13 21.357 0.2 . 1 . . . . . 32 TPO CG2 . 26344 1 611 . 2 . 2 3 3 TPO N N 15 118.738 0.05 . 1 . . . . . 32 TPO N . 26344 1 612 . 2 . 2 4 4 TRP H H 1 8.245 0.01 . 1 . . . . . 33 TRP H . 26344 1 613 . 2 . 2 4 4 TRP C C 13 174.296 0.03 . 1 . . . . . 33 TRP C . 26344 1 614 . 2 . 2 4 4 TRP CA C 13 54.901 0.1 . 1 . . . . . 33 TRP CA . 26344 1 615 . 2 . 2 4 4 TRP CB C 13 29.384 0.1 . 1 . . . . . 33 TRP CB . 26344 1 616 . 2 . 2 4 4 TRP N N 15 125.097 0.05 . 1 . . . . . 33 TRP N . 26344 1 617 . 2 . 2 5 5 LEU H H 1 8.089 0.01 . 1 . . . . . 35 LEU H . 26344 1 618 . 2 . 2 5 5 LEU C C 13 177.331 0.03 . 1 . . . . . 35 LEU C . 26344 1 619 . 2 . 2 5 5 LEU CA C 13 55.490 0.2 . 1 . . . . . 35 LEU CA . 26344 1 620 . 2 . 2 5 5 LEU CB C 13 42.078 0.2 . 1 . . . . . 35 LEU CB . 26344 1 621 . 2 . 2 5 5 LEU N N 15 121.335 0.05 . 1 . . . . . 35 LEU N . 26344 1 622 . 2 . 2 6 6 GLN H H 1 8.321 0.01 . 1 . . . . . 36 GLN H . 26344 1 623 . 2 . 2 6 6 GLN C C 13 175.486 0.03 . 1 . . . . . 36 GLN C . 26344 1 624 . 2 . 2 6 6 GLN CA C 13 55.445 0.1 . 1 . . . . . 36 GLN CA . 26344 1 625 . 2 . 2 6 6 GLN CB C 13 29.686 0.1 . 1 . . . . . 36 GLN CB . 26344 1 626 . 2 . 2 6 6 GLN N N 15 121.072 0.05 . 1 . . . . . 36 GLN N . 26344 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 543 26344 1 1 544 26344 1 stop_ save_