data_52704 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52704 _Entry.Title ; p53-foxo4 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-18 _Entry.Accession_date 2024-11-18 _Entry.Last_release_date 2024-11-19 _Entry.Original_release_date 2024-11-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 Klara Kohoutova . . . . 52704 2 Pavel Srb . . . . 52704 3 Veronika Obsilova . . . . 52704 4 Vaclav Veverka . . . . 52704 5 Tomas Obsil . . . . 52704 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1_relaxation 1 52704 heteronucl_T2_relaxation 1 52704 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 64 52704 'T2 relaxation values' 64 52704 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 . . 2024-12-19 . original BMRB . 52704 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52703 'p53(1-93) apo form' 52704 BMRB 52705 'FOXO4(86-211) apo form' 52704 BMRB 52706 'p53-foxo4 complex' 52704 BMRB 52707 'p53-foxo4_DNA complex' 52704 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52704 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Plasticity of the FOXO-DBD:p53-TAD Interaction ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Klara Kohoutova . . . . 52704 1 2 Pavel Srb . . . . 52704 1 3 Veronika Obsilova . . . . 52704 1 4 Vaclav Veverka . . . . 52704 1 5 Tomas Obsil . . . . 52704 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52704 _Assembly.ID 1 _Assembly.Name 'p53-foxo4 complex' _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p53(1-93) 1 $entity_1 . . yes native yes no . . . 52704 1 2 FOXO4(86-211) 2 $entity_2 . . no native yes no . . . 52704 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52704 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEEPQSDPSVEPPLSQETFS DLWKLLPENNVLSPLPSQAM DDLMLSPDDIEQWFTEDPGP DEAPRMPEAAPPVAPAPAAP TPAAPAPAPSWPL ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52704 1 2 . GLU . 52704 1 3 . GLU . 52704 1 4 . PRO . 52704 1 5 . GLN . 52704 1 6 . SER . 52704 1 7 . ASP . 52704 1 8 . PRO . 52704 1 9 . SER . 52704 1 10 . VAL . 52704 1 11 . GLU . 52704 1 12 . PRO . 52704 1 13 . PRO . 52704 1 14 . LEU . 52704 1 15 . SER . 52704 1 16 . GLN . 52704 1 17 . GLU . 52704 1 18 . THR . 52704 1 19 . PHE . 52704 1 20 . SER . 52704 1 21 . ASP . 52704 1 22 . LEU . 52704 1 23 . TRP . 52704 1 24 . LYS . 52704 1 25 . LEU . 52704 1 26 . LEU . 52704 1 27 . PRO . 52704 1 28 . GLU . 52704 1 29 . ASN . 52704 1 30 . ASN . 52704 1 31 . VAL . 52704 1 32 . LEU . 52704 1 33 . SER . 52704 1 34 . PRO . 52704 1 35 . LEU . 52704 1 36 . PRO . 52704 1 37 . SER . 52704 1 38 . GLN . 52704 1 39 . ALA . 52704 1 40 . MET . 52704 1 41 . ASP . 52704 1 42 . ASP . 52704 1 43 . LEU . 52704 1 44 . MET . 52704 1 45 . LEU . 52704 1 46 . SER . 52704 1 47 . PRO . 52704 1 48 . ASP . 52704 1 49 . ASP . 52704 1 50 . ILE . 52704 1 51 . GLU . 52704 1 52 . GLN . 52704 1 53 . TRP . 52704 1 54 . PHE . 52704 1 55 . THR . 52704 1 56 . GLU . 52704 1 57 . ASP . 52704 1 58 . PRO . 52704 1 59 . GLY . 52704 1 60 . PRO . 52704 1 61 . ASP . 52704 1 62 . GLU . 52704 1 63 . ALA . 52704 1 64 . PRO . 52704 1 65 . ARG . 52704 1 66 . MET . 52704 1 67 . PRO . 52704 1 68 . GLU . 52704 1 69 . ALA . 52704 1 70 . ALA . 52704 1 71 . PRO . 52704 1 72 . PRO . 52704 1 73 . VAL . 52704 1 74 . ALA . 52704 1 75 . PRO . 52704 1 76 . ALA . 52704 1 77 . PRO . 52704 1 78 . ALA . 52704 1 79 . ALA . 52704 1 80 . PRO . 52704 1 81 . THR . 52704 1 82 . PRO . 52704 1 83 . ALA . 52704 1 84 . ALA . 52704 1 85 . PRO . 52704 1 86 . ALA . 52704 1 87 . PRO . 52704 1 88 . ALA . 52704 1 89 . PRO . 52704 1 90 . SER . 52704 1 91 . TRP . 52704 1 92 . PRO . 52704 1 93 . LEU . 52704 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52704 1 . GLU 2 2 52704 1 . GLU 3 3 52704 1 . PRO 4 4 52704 1 . GLN 5 5 52704 1 . SER 6 6 52704 1 . ASP 7 7 52704 1 . PRO 8 8 52704 1 . SER 9 9 52704 1 . VAL 10 10 52704 1 . GLU 11 11 52704 1 . PRO 12 12 52704 1 . PRO 13 13 52704 1 . LEU 14 14 52704 1 . SER 15 15 52704 1 . GLN 16 16 52704 1 . GLU 17 17 52704 1 . THR 18 18 52704 1 . PHE 19 19 52704 1 . SER 20 20 52704 1 . ASP 21 21 52704 1 . LEU 22 22 52704 1 . TRP 23 23 52704 1 . LYS 24 24 52704 1 . LEU 25 25 52704 1 . LEU 26 26 52704 1 . PRO 27 27 52704 1 . GLU 28 28 52704 1 . ASN 29 29 52704 1 . ASN 30 30 52704 1 . VAL 31 31 52704 1 . LEU 32 32 52704 1 . SER 33 33 52704 1 . PRO 34 34 52704 1 . LEU 35 35 52704 1 . PRO 36 36 52704 1 . SER 37 37 52704 1 . GLN 38 38 52704 1 . ALA 39 39 52704 1 . MET 40 40 52704 1 . ASP 41 41 52704 1 . ASP 42 42 52704 1 . LEU 43 43 52704 1 . MET 44 44 52704 1 . LEU 45 45 52704 1 . SER 46 46 52704 1 . PRO 47 47 52704 1 . ASP 48 48 52704 1 . ASP 49 49 52704 1 . ILE 50 50 52704 1 . GLU 51 51 52704 1 . GLN 52 52 52704 1 . TRP 53 53 52704 1 . PHE 54 54 52704 1 . THR 55 55 52704 1 . GLU 56 56 52704 1 . ASP 57 57 52704 1 . PRO 58 58 52704 1 . GLY 59 59 52704 1 . PRO 60 60 52704 1 . ASP 61 61 52704 1 . GLU 62 62 52704 1 . ALA 63 63 52704 1 . PRO 64 64 52704 1 . ARG 65 65 52704 1 . MET 66 66 52704 1 . PRO 67 67 52704 1 . GLU 68 68 52704 1 . ALA 69 69 52704 1 . ALA 70 70 52704 1 . PRO 71 71 52704 1 . PRO 72 72 52704 1 . VAL 73 73 52704 1 . ALA 74 74 52704 1 . PRO 75 75 52704 1 . ALA 76 76 52704 1 . PRO 77 77 52704 1 . ALA 78 78 52704 1 . ALA 79 79 52704 1 . PRO 80 80 52704 1 . THR 81 81 52704 1 . PRO 82 82 52704 1 . ALA 83 83 52704 1 . ALA 84 84 52704 1 . PRO 85 85 52704 1 . ALA 86 86 52704 1 . PRO 87 87 52704 1 . ALA 88 88 52704 1 . PRO 89 89 52704 1 . SER 90 90 52704 1 . TRP 91 91 52704 1 . PRO 92 92 52704 1 . LEU 93 93 52704 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52704 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAVTGPRKGGSRRNAWGNQS YAELISQAIESAPEKRLTLA QIYEWMVRTVPYFKDKGDSN SSAGWKNSIRHNLSLHSKFI KVHNEATGKSSWWMLNPEGG KSGKAPRRRAASMDSSSKLL RGRSKA ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52704 2 2 . ALA . 52704 2 3 . VAL . 52704 2 4 . THR . 52704 2 5 . GLY . 52704 2 6 . PRO . 52704 2 7 . ARG . 52704 2 8 . LYS . 52704 2 9 . GLY . 52704 2 10 . GLY . 52704 2 11 . SER . 52704 2 12 . ARG . 52704 2 13 . ARG . 52704 2 14 . ASN . 52704 2 15 . ALA . 52704 2 16 . TRP . 52704 2 17 . GLY . 52704 2 18 . ASN . 52704 2 19 . GLN . 52704 2 20 . SER . 52704 2 21 . TYR . 52704 2 22 . ALA . 52704 2 23 . GLU . 52704 2 24 . LEU . 52704 2 25 . ILE . 52704 2 26 . SER . 52704 2 27 . GLN . 52704 2 28 . ALA . 52704 2 29 . ILE . 52704 2 30 . GLU . 52704 2 31 . SER . 52704 2 32 . ALA . 52704 2 33 . PRO . 52704 2 34 . GLU . 52704 2 35 . LYS . 52704 2 36 . ARG . 52704 2 37 . LEU . 52704 2 38 . THR . 52704 2 39 . LEU . 52704 2 40 . ALA . 52704 2 41 . GLN . 52704 2 42 . ILE . 52704 2 43 . TYR . 52704 2 44 . GLU . 52704 2 45 . TRP . 52704 2 46 . MET . 52704 2 47 . VAL . 52704 2 48 . ARG . 52704 2 49 . THR . 52704 2 50 . VAL . 52704 2 51 . PRO . 52704 2 52 . TYR . 52704 2 53 . PHE . 52704 2 54 . LYS . 52704 2 55 . ASP . 52704 2 56 . LYS . 52704 2 57 . GLY . 52704 2 58 . ASP . 52704 2 59 . SER . 52704 2 60 . ASN . 52704 2 61 . SER . 52704 2 62 . SER . 52704 2 63 . ALA . 52704 2 64 . GLY . 52704 2 65 . TRP . 52704 2 66 . LYS . 52704 2 67 . ASN . 52704 2 68 . SER . 52704 2 69 . ILE . 52704 2 70 . ARG . 52704 2 71 . HIS . 52704 2 72 . ASN . 52704 2 73 . LEU . 52704 2 74 . SER . 52704 2 75 . LEU . 52704 2 76 . HIS . 52704 2 77 . SER . 52704 2 78 . LYS . 52704 2 79 . PHE . 52704 2 80 . ILE . 52704 2 81 . LYS . 52704 2 82 . VAL . 52704 2 83 . HIS . 52704 2 84 . ASN . 52704 2 85 . GLU . 52704 2 86 . ALA . 52704 2 87 . THR . 52704 2 88 . GLY . 52704 2 89 . LYS . 52704 2 90 . SER . 52704 2 91 . SER . 52704 2 92 . TRP . 52704 2 93 . TRP . 52704 2 94 . MET . 52704 2 95 . LEU . 52704 2 96 . ASN . 52704 2 97 . PRO . 52704 2 98 . GLU . 52704 2 99 . GLY . 52704 2 100 . GLY . 52704 2 101 . LYS . 52704 2 102 . SER . 52704 2 103 . GLY . 52704 2 104 . LYS . 52704 2 105 . ALA . 52704 2 106 . PRO . 52704 2 107 . ARG . 52704 2 108 . ARG . 52704 2 109 . ARG . 52704 2 110 . ALA . 52704 2 111 . ALA . 52704 2 112 . SER . 52704 2 113 . MET . 52704 2 114 . ASP . 52704 2 115 . SER . 52704 2 116 . SER . 52704 2 117 . SER . 52704 2 118 . LYS . 52704 2 119 . LEU . 52704 2 120 . LEU . 52704 2 121 . ARG . 52704 2 122 . GLY . 52704 2 123 . ARG . 52704 2 124 . SER . 52704 2 125 . LYS . 52704 2 126 . ALA . 52704 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 . GLY 1 1 52704 2 . ALA 2 2 52704 2 . VAL 3 3 52704 2 . THR 4 4 52704 2 . GLY 5 5 52704 2 . PRO 6 6 52704 2 . ARG 7 7 52704 2 . LYS 8 8 52704 2 . GLY 9 9 52704 2 . GLY 10 10 52704 2 . SER 11 11 52704 2 . ARG 12 12 52704 2 . ARG 13 13 52704 2 . ASN 14 14 52704 2 . ALA 15 15 52704 2 . TRP 16 16 52704 2 . GLY 17 17 52704 2 . ASN 18 18 52704 2 . GLN 19 19 52704 2 . SER 20 20 52704 2 . TYR 21 21 52704 2 . ALA 22 22 52704 2 . GLU 23 23 52704 2 . LEU 24 24 52704 2 . ILE 25 25 52704 2 . SER 26 26 52704 2 . GLN 27 27 52704 2 . ALA 28 28 52704 2 . ILE 29 29 52704 2 . GLU 30 30 52704 2 . SER 31 31 52704 2 . ALA 32 32 52704 2 . PRO 33 33 52704 2 . GLU 34 34 52704 2 . LYS 35 35 52704 2 . ARG 36 36 52704 2 . LEU 37 37 52704 2 . THR 38 38 52704 2 . LEU 39 39 52704 2 . ALA 40 40 52704 2 . GLN 41 41 52704 2 . ILE 42 42 52704 2 . TYR 43 43 52704 2 . GLU 44 44 52704 2 . TRP 45 45 52704 2 . MET 46 46 52704 2 . VAL 47 47 52704 2 . ARG 48 48 52704 2 . THR 49 49 52704 2 . VAL 50 50 52704 2 . PRO 51 51 52704 2 . TYR 52 52 52704 2 . PHE 53 53 52704 2 . LYS 54 54 52704 2 . ASP 55 55 52704 2 . LYS 56 56 52704 2 . GLY 57 57 52704 2 . ASP 58 58 52704 2 . SER 59 59 52704 2 . ASN 60 60 52704 2 . SER 61 61 52704 2 . SER 62 62 52704 2 . ALA 63 63 52704 2 . GLY 64 64 52704 2 . TRP 65 65 52704 2 . LYS 66 66 52704 2 . ASN 67 67 52704 2 . SER 68 68 52704 2 . ILE 69 69 52704 2 . ARG 70 70 52704 2 . HIS 71 71 52704 2 . ASN 72 72 52704 2 . LEU 73 73 52704 2 . SER 74 74 52704 2 . LEU 75 75 52704 2 . HIS 76 76 52704 2 . SER 77 77 52704 2 . LYS 78 78 52704 2 . PHE 79 79 52704 2 . ILE 80 80 52704 2 . LYS 81 81 52704 2 . VAL 82 82 52704 2 . HIS 83 83 52704 2 . ASN 84 84 52704 2 . GLU 85 85 52704 2 . ALA 86 86 52704 2 . THR 87 87 52704 2 . GLY 88 88 52704 2 . LYS 89 89 52704 2 . SER 90 90 52704 2 . SER 91 91 52704 2 . TRP 92 92 52704 2 . TRP 93 93 52704 2 . MET 94 94 52704 2 . LEU 95 95 52704 2 . ASN 96 96 52704 2 . PRO 97 97 52704 2 . GLU 98 98 52704 2 . GLY 99 99 52704 2 . GLY 100 100 52704 2 . LYS 101 101 52704 2 . SER 102 102 52704 2 . GLY 103 103 52704 2 . LYS 104 104 52704 2 . ALA 105 105 52704 2 . PRO 106 106 52704 2 . ARG 107 107 52704 2 . ARG 108 108 52704 2 . ARG 109 109 52704 2 . ALA 110 110 52704 2 . ALA 111 111 52704 2 . SER 112 112 52704 2 . MET 113 113 52704 2 . ASP 114 114 52704 2 . SER 115 115 52704 2 . SER 116 116 52704 2 . SER 117 117 52704 2 . LYS 118 118 52704 2 . LEU 119 119 52704 2 . LEU 120 120 52704 2 . ARG 121 121 52704 2 . GLY 122 122 52704 2 . ARG 123 123 52704 2 . SER 124 124 52704 2 . LYS 125 125 52704 2 . ALA 126 126 52704 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 52704 _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 . . . . . . . . . . . . . 52704 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52704 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 52704 _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' . . . Escherichia coli . . . plasmid . . pET-15b . . . 52704 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-15b . . . 52704 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52704 _Sample.ID 1 _Sample.Name sample2_p53_foxo4 _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 p53 '[U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 52704 1 2 FOXO4(86-211) 'natural abundance' . . 2 $entity_2 . . 200 . . uM . . . . 52704 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 52704 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample1_conditions _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 52704 1 pH 6.5 . pH 52704 1 pressure 1 . atm 52704 1 temperature 298 . K 52704 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52704 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52704 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52704 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52704 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 52704 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR850 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 52704 _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 'T1/R1 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52704 1 2 'T2/R2 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52704 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52704 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name p53_foxo4R1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 850.3 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 'T1/R1 relaxation' . . . 52704 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 52704 1 2 $software_2 . . 52704 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 GLU N N 15 1.25644 0.0130869 . . . . . 52704 1 2 . 1 1 5 5 GLN N N 15 1.30429 0.0190532 . . . . . 52704 1 3 . 1 1 6 6 SER N N 15 1.19446 0.0202596 . . . . . 52704 1 4 . 1 1 7 7 ASP N N 15 1.26326 0.0252142 . . . . . 52704 1 5 . 1 1 9 9 SER N N 15 1.35044 0.0151001 . . . . . 52704 1 6 . 1 1 10 10 VAL N N 15 1.40687 0.00938174 . . . . . 52704 1 7 . 1 1 11 11 GLU N N 15 1.3369 0.013923 . . . . . 52704 1 8 . 1 1 14 14 LEU N N 15 1.47124 0.0378794 . . . . . 52704 1 9 . 1 1 15 15 SER N N 15 9.38086 37.6643 . . . . . 52704 1 10 . 1 1 16 16 GLN N N 15 1.22579 0.0128469 . . . . . 52704 1 11 . 1 1 17 17 GLU N N 15 0.902527 0.0207712 . . . . . 52704 1 12 . 1 1 18 18 THR N N 15 1.40786 0.053912 . . . . . 52704 1 13 . 1 1 19 19 PHE N N 15 1.53092 0.0524996 . . . . . 52704 1 14 . 1 1 20 20 SER N N 15 1.36687 0.089306 . . . . . 52704 1 15 . 1 1 21 21 ASP N N 15 1.36724 0.0156464 . . . . . 52704 1 16 . 1 1 22 22 LEU N N 15 1.46092 0.014812 . . . . . 52704 1 17 . 1 1 23 23 TRP N N 15 1.47885 0.0485515 . . . . . 52704 1 18 . 1 1 24 24 LYS N N 15 1.4861 0.0371029 . . . . . 52704 1 19 . 1 1 25 25 LEU N N 15 1.42511 0.0337136 . . . . . 52704 1 20 . 1 1 26 26 LEU N N 15 1.36017 0.0484719 . . . . . 52704 1 21 . 1 1 28 28 GLU N N 15 1.33726 0.0298638 . . . . . 52704 1 22 . 1 1 29 29 ASN N N 15 1.26135 0.0273654 . . . . . 52704 1 23 . 1 1 30 30 ASN N N 15 1.2444 0.0476948 . . . . . 52704 1 24 . 1 1 31 31 VAL N N 15 1.26502 0.0262446 . . . . . 52704 1 25 . 1 1 32 32 LEU N N 15 1.20613 0.0161476 . . . . . 52704 1 26 . 1 1 33 33 SER N N 15 1.17772 0.0284339 . . . . . 52704 1 27 . 1 1 35 35 LEU N N 15 1.30225 0.0388353 . . . . . 52704 1 28 . 1 1 37 37 SER N N 15 1.25219 0.0274397 . . . . . 52704 1 29 . 1 1 38 38 GLN N N 15 1.27146 0.0282905 . . . . . 52704 1 30 . 1 1 39 39 ALA N N 15 1.11012 0.0108203 . . . . . 52704 1 31 . 1 1 40 40 MET N N 15 1.25408 0.0548874 . . . . . 52704 1 32 . 1 1 41 41 ASP N N 15 1.31891 0.0262669 . . . . . 52704 1 33 . 1 1 42 42 ASP N N 15 1.31926 0.0294136 . . . . . 52704 1 34 . 1 1 43 43 LEU N N 15 1.32538 0.0302141 . . . . . 52704 1 35 . 1 1 45 45 LEU N N 15 1.2987 0.0347445 . . . . . 52704 1 36 . 1 1 46 46 SER N N 15 1.25786 0.0439856 . . . . . 52704 1 37 . 1 1 48 48 ASP N N 15 1.18371 0.0738419 . . . . . 52704 1 38 . 1 1 49 49 ASP N N 15 1.34608 0.0186628 . . . . . 52704 1 39 . 1 1 50 50 ILE N N 15 1.25266 0.0517823 . . . . . 52704 1 40 . 1 1 51 51 GLU N N 15 1.27796 0.0110076 . . . . . 52704 1 41 . 1 1 52 52 GLN N N 15 1.31822 0.0695079 . . . . . 52704 1 42 . 1 1 53 53 TRP N N 15 1.35099 0.0209894 . . . . . 52704 1 43 . 1 1 55 55 THR N N 15 1.39005 0.0755502 . . . . . 52704 1 44 . 1 1 56 56 GLU N N 15 1.33851 0.0188119 . . . . . 52704 1 45 . 1 1 57 57 ASP N N 15 1.31562 0.0237126 . . . . . 52704 1 46 . 1 1 59 59 GLY N N 15 1.29803 0.0128556 . . . . . 52704 1 47 . 1 1 61 61 ASP N N 15 1.25266 0.0103408 . . . . . 52704 1 48 . 1 1 62 62 GLU N N 15 1.27616 0.0152436 . . . . . 52704 1 49 . 1 1 63 63 ALA N N 15 1.27453 0.0098441 . . . . . 52704 1 50 . 1 1 65 65 ARG N N 15 1.27861 0.010087 . . . . . 52704 1 51 . 1 1 66 66 MET N N 15 1.29349 0.0255988 . . . . . 52704 1 52 . 1 1 68 68 GLU N N 15 1.2566 0.0157904 . . . . . 52704 1 53 . 1 1 69 69 ALA N N 15 1.13688 0.0133127 . . . . . 52704 1 54 . 1 1 70 70 ALA N N 15 1.11012 0.0105861 . . . . . 52704 1 55 . 1 1 73 73 VAL N N 15 1.16932 0.00382845 . . . . . 52704 1 56 . 1 1 74 74 ALA N N 15 1.16795 0.0133001 . . . . . 52704 1 57 . 1 1 79 79 ALA N N 15 1.08354 0.0176109 . . . . . 52704 1 58 . 1 1 81 81 THR N N 15 1.10571 0.0135707 . . . . . 52704 1 59 . 1 1 83 83 ALA N N 15 1.09016 0.0111595 . . . . . 52704 1 60 . 1 1 84 84 ALA N N 15 1.09661 0.00784067 . . . . . 52704 1 61 . 1 1 86 86 ALA N N 15 1.10241 0.00431438 . . . . . 52704 1 62 . 1 1 90 90 SER N N 15 1.08589 0.0233475 . . . . . 52704 1 63 . 1 1 91 91 TRP N N 15 1.06587 0.0143146 . . . . . 52704 1 64 . 1 1 93 93 LEU N N 15 0.892857 0.00614636 . . . . . 52704 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 52704 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name p53_foxo4R2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving and temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 850.3 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 52704 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 52704 1 2 $software_2 . . 52704 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 GLU N N 15 2.69034 0.0355383 . . . . . . . 52704 1 2 . 1 1 5 5 GLN N N 15 2.99491 0.0676299 . . . . . . . 52704 1 3 . 1 1 6 6 SER N N 15 3.10849 0.0756588 . . . . . . . 52704 1 4 . 1 1 7 7 ASP N N 15 3.38983 0.155128 . . . . . . . 52704 1 5 . 1 1 9 9 SER N N 15 4.12541 0.0522484 . . . . . . . 52704 1 6 . 1 1 10 10 VAL N N 15 4.55996 0.0530228 . . . . . . . 52704 1 7 . 1 1 11 11 GLU N N 15 4.67508 0.115402 . . . . . . . 52704 1 8 . 1 1 14 14 LEU N N 15 8.81057 0.253838 . . . . . . . 52704 1 9 . 1 1 15 15 SER N N 15 0.745156 5.23608 . . . . . . . 52704 1 10 . 1 1 16 16 GLN N N 15 3.53607 0.0376364 . . . . . . . 52704 1 11 . 1 1 17 17 GLU N N 15 1.85736 0.044502 . . . . . . . 52704 1 12 . 1 1 18 18 THR N N 15 8.53242 0.103379 . . . . . . . 52704 1 13 . 1 1 19 19 PHE N N 15 10.3918 0.224617 . . . . . . . 52704 1 14 . 1 1 20 20 SER N N 15 11.5888 0.420362 . . . . . . . 52704 1 15 . 1 1 21 21 ASP N N 15 7.98085 0.084076 . . . . . . . 52704 1 16 . 1 1 22 22 LEU N N 15 10.3402 0.117612 . . . . . . . 52704 1 17 . 1 1 23 23 TRP N N 15 15.2579 0.215342 . . . . . . . 52704 1 18 . 1 1 24 24 LYS N N 15 19.5963 0.522261 . . . . . . . 52704 1 19 . 1 1 25 25 LEU N N 15 17.3762 0.392512 . . . . . . . 52704 1 20 . 1 1 26 26 LEU N N 15 14.6113 1.05892 . . . . . . . 52704 1 21 . 1 1 28 28 GLU N N 15 9.04977 0.127762 . . . . . . . 52704 1 22 . 1 1 29 29 ASN N N 15 9.52381 0.0997732 . . . . . . . 52704 1 23 . 1 1 30 30 ASN N N 15 8.53971 0.163356 . . . . . . . 52704 1 24 . 1 1 31 31 VAL N N 15 8.8574 0.109835 . . . . . . . 52704 1 25 . 1 1 32 32 LEU N N 15 3.17058 0.121636 . . . . . . . 52704 1 26 . 1 1 33 33 SER N N 15 6.75219 0.115348 . . . . . . . 52704 1 27 . 1 1 35 35 LEU N N 15 8.12348 0.170256 . . . . . . . 52704 1 28 . 1 1 37 37 SER N N 15 8.33333 0.227778 . . . . . . . 52704 1 29 . 1 1 38 38 GLN N N 15 7.3692 0.184094 . . . . . . . 52704 1 30 . 1 1 39 39 ALA N N 15 4.37828 0.0791695 . . . . . . . 52704 1 31 . 1 1 40 40 MET N N 15 8.92061 0.239527 . . . . . . . 52704 1 32 . 1 1 41 41 ASP N N 15 10.174 0.230827 . . . . . . . 52704 1 33 . 1 1 42 42 ASP N N 15 10.4657 0.17525 . . . . . . . 52704 1 34 . 1 1 43 43 LEU N N 15 9.31099 0.157784 . . . . . . . 52704 1 35 . 1 1 45 45 LEU N N 15 12.5723 0.308222 . . . . . . . 52704 1 36 . 1 1 46 46 SER N N 15 10.9938 0.350507 . . . . . . . 52704 1 37 . 1 1 48 48 ASP N N 15 18.1291 0.460129 . . . . . . . 52704 1 38 . 1 1 49 49 ASP N N 15 13.2661 0.195349 . . . . . . . 52704 1 39 . 1 1 50 50 ILE N N 15 16.4474 0.898113 . . . . . . . 52704 1 40 . 1 1 51 51 GLU N N 15 2.73075 0.0947037 . . . . . . . 52704 1 41 . 1 1 52 52 GLN N N 15 22.242 1.40991 . . . . . . . 52704 1 42 . 1 1 53 53 TRP N N 15 16.1238 0.252179 . . . . . . . 52704 1 43 . 1 1 55 55 THR N N 15 24.5038 1.29694 . . . . . . . 52704 1 44 . 1 1 56 56 GLU N N 15 9.72763 0.304698 . . . . . . . 52704 1 45 . 1 1 57 57 ASP N N 15 6.70241 0.185978 . . . . . . . 52704 1 46 . 1 1 59 59 GLY N N 15 6.17284 0.0929736 . . . . . . . 52704 1 47 . 1 1 61 61 ASP N N 15 5.47645 0.0479864 . . . . . . . 52704 1 48 . 1 1 62 62 GLU N N 15 4.53309 0.0484954 . . . . . . . 52704 1 49 . 1 1 63 63 ALA N N 15 6.36537 0.0984587 . . . . . . . 52704 1 50 . 1 1 65 65 ARG N N 15 4.19111 0.0446162 . . . . . . . 52704 1 51 . 1 1 66 66 MET N N 15 5.15996 0.160017 . . . . . . . 52704 1 52 . 1 1 68 68 GLU N N 15 3.99042 0.065764 . . . . . . . 52704 1 53 . 1 1 69 69 ALA N N 15 2.531 0.142213 . . . . . . . 52704 1 54 . 1 1 70 70 ALA N N 15 3.55114 0.0704931 . . . . . . . 52704 1 55 . 1 1 73 73 VAL N N 15 3.48797 0.0246968 . . . . . . . 52704 1 56 . 1 1 74 74 ALA N N 15 6.0024 0.208247 . . . . . . . 52704 1 57 . 1 1 79 79 ALA N N 15 3.73274 0.0504386 . . . . . . . 52704 1 58 . 1 1 81 81 THR N N 15 2.82805 0.0975743 . . . . . . . 52704 1 59 . 1 1 83 83 ALA N N 15 2.69614 0.0486309 . . . . . . . 52704 1 60 . 1 1 84 84 ALA N N 15 2.51004 0.0430311 . . . . . . . 52704 1 61 . 1 1 86 86 ALA N N 15 2.54907 0.0598443 . . . . . . . 52704 1 62 . 1 1 90 90 SER N N 15 2.331 0.0804169 . . . . . . . 52704 1 63 . 1 1 91 91 TRP N N 15 2.18771 0.0851918 . . . . . . . 52704 1 64 . 1 1 93 93 LEU N N 15 2.92056 0.259302 . . . . . . . 52704 1 stop_ save_