data_52457 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52457 _Entry.Title ; p53TAD2 bound to FOXO4-DRI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-05-13 _Entry.Accession_date 2024-05-13 _Entry.Last_release_date 2024-05-13 _Entry.Original_release_date 2024-05-13 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'p53 Transactivation Domain 2 bound to FOXO4-DRI' _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 Benjamin Bourgeois . . . . 52457 2 Emil Spreitzer . . . . 52457 3 Daniel Platero-Rochart . . . . 52457 4 Qishun Zhou . . . . 52457 5 Sinem Usluer . . . . 52457 6 Peter 'de Keizer' . L.J. . . 52457 7 Boudewijn Burgering . M.T. . . 52457 8 Pedro Sanchez-Murcia . A. . . 52457 9 Tobias Madl . . . . 52457 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52457 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 63 52457 '15N chemical shifts' 19 52457 '1H chemical shifts' 128 52457 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 . . 2025-01-31 . original BMRB . 52457 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52458 'FOXO4-LRI chemical shifts bound to p53TAD2' 52457 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52457 _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 ; The Disordered p53 Transactivation Domain is the Target of FOXO4 and the Senolytic Compound FOXO4-DRI ; _Citation.Status 'in preparation' _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 Benjamin Bourgeois . . . . 52457 1 2 Emil Spreitzer . . . . 52457 1 3 Daniel Platero-Rochart . . . . 52457 1 4 Qishun Zhou . . . . 52457 1 5 Sinem Usluer . . . . 52457 1 6 Peter 'de Keizer' . L.J. . . 52457 1 7 Boudewijn Burgering . M.T. . . 52457 1 8 Pedro Sanchez-Murcia . A. . . 52457 1 9 Tobias Madl . . . . 52457 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52457 _Assembly.ID 1 _Assembly.Name 'p53TAD2 bound to FOXO4-DRI' _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 . _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 p53TAD2 1 $entity_1 . . yes native no no . . . 52457 1 2 FOXO4-LRI 2 $entity_2 . . no native no no . . . 52457 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52457 _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 ; SQAMDDLMLSPDDIEQWFTE D ; _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 21 _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 37 SER . 52457 1 2 38 GLN . 52457 1 3 39 ALA . 52457 1 4 40 MET . 52457 1 5 41 ASP . 52457 1 6 42 ASP . 52457 1 7 43 LEU . 52457 1 8 44 MET . 52457 1 9 45 LEU . 52457 1 10 46 SER . 52457 1 11 47 PRO . 52457 1 12 48 ASP . 52457 1 13 49 ASP . 52457 1 14 50 ILE . 52457 1 15 51 GLU . 52457 1 16 52 GLN . 52457 1 17 53 TRP . 52457 1 18 54 PHE . 52457 1 19 55 THR . 52457 1 20 56 GLU . 52457 1 21 57 ASP . 52457 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 . SER 1 1 52457 1 . GLN 2 2 52457 1 . ALA 3 3 52457 1 . MET 4 4 52457 1 . ASP 5 5 52457 1 . ASP 6 6 52457 1 . LEU 7 7 52457 1 . MET 8 8 52457 1 . LEU 9 9 52457 1 . SER 10 10 52457 1 . PRO 11 11 52457 1 . ASP 12 12 52457 1 . ASP 13 13 52457 1 . ILE 14 14 52457 1 . GLU 15 15 52457 1 . GLN 16 16 52457 1 . TRP 17 17 52457 1 . PHE 18 18 52457 1 . THR 19 19 52457 1 . GLU 20 20 52457 1 . ASP 21 21 52457 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52457 _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 ; LTLRKEPASEIAQSILEAYS QNGWANRRSGGKRPPPRRRQ RRKKRG ; _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 46 _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 1 101 LEU . 52457 2 2 102 THR . 52457 2 3 103 LEU . 52457 2 4 104 ARG . 52457 2 5 105 LYS . 52457 2 6 106 GLU . 52457 2 7 107 PRO . 52457 2 8 108 ALA . 52457 2 9 109 SER . 52457 2 10 110 GLU . 52457 2 11 111 ILE . 52457 2 12 112 ALA . 52457 2 13 113 GLN . 52457 2 14 114 SER . 52457 2 15 115 ILE . 52457 2 16 116 LEU . 52457 2 17 117 GLU . 52457 2 18 118 ALA . 52457 2 19 119 TYR . 52457 2 20 120 SER . 52457 2 21 121 GLN . 52457 2 22 122 ASN . 52457 2 23 123 GLY . 52457 2 24 124 TRP . 52457 2 25 125 ALA . 52457 2 26 126 ASN . 52457 2 27 127 ARG . 52457 2 28 128 ARG . 52457 2 29 129 SER . 52457 2 30 130 GLY . 52457 2 31 131 GLY . 52457 2 32 132 LYS . 52457 2 33 133 ARG . 52457 2 34 134 PRO . 52457 2 35 135 PRO . 52457 2 36 136 PRO . 52457 2 37 137 ARG . 52457 2 38 138 ARG . 52457 2 39 139 ARG . 52457 2 40 140 GLN . 52457 2 41 141 ARG . 52457 2 42 142 ARG . 52457 2 43 143 LYS . 52457 2 44 144 LYS . 52457 2 45 145 ARG . 52457 2 46 146 GLY . 52457 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 . LEU 1 1 52457 2 . THR 2 2 52457 2 . LEU 3 3 52457 2 . ARG 4 4 52457 2 . LYS 5 5 52457 2 . GLU 6 6 52457 2 . PRO 7 7 52457 2 . ALA 8 8 52457 2 . SER 9 9 52457 2 . GLU 10 10 52457 2 . ILE 11 11 52457 2 . ALA 12 12 52457 2 . GLN 13 13 52457 2 . SER 14 14 52457 2 . ILE 15 15 52457 2 . LEU 16 16 52457 2 . GLU 17 17 52457 2 . ALA 18 18 52457 2 . TYR 19 19 52457 2 . SER 20 20 52457 2 . GLN 21 21 52457 2 . ASN 22 22 52457 2 . GLY 23 23 52457 2 . TRP 24 24 52457 2 . ALA 25 25 52457 2 . ASN 26 26 52457 2 . ARG 27 27 52457 2 . ARG 28 28 52457 2 . SER 29 29 52457 2 . GLY 30 30 52457 2 . GLY 31 31 52457 2 . LYS 32 32 52457 2 . ARG 33 33 52457 2 . PRO 34 34 52457 2 . PRO 35 35 52457 2 . PRO 36 36 52457 2 . ARG 37 37 52457 2 . ARG 38 38 52457 2 . ARG 39 39 52457 2 . GLN 40 40 52457 2 . ARG 41 41 52457 2 . ARG 42 42 52457 2 . LYS 43 43 52457 2 . LYS 44 44 52457 2 . ARG 45 45 52457 2 . GLY 46 46 52457 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 52457 _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 . . . . . . . . . . . . . 52457 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 52457 _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 'DE3-BL21 Star' . . plasmid . . pETM11-ZZ-His6 . . . 52457 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52457 _Sample.ID 1 _Sample.Name 'p53TAD2 bound to FOXO4-DRI' _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 p53TAD2 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1160 . . uM . . . . 52457 1 2 FOXO4-DRI 'natural abundance' . . 2 $entity_2 . . 1160 . . uM . . . . 52457 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 52457 1 4 DTT 'natural abundance' . . . . . . 2.5 . . mM . . . . 52457 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 52457 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Low Salt Phosphate Buffer' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 52457 1 pH 7.5 . pH 52457 1 pressure 1 . atm 52457 1 temperature 298 . K 52457 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52457 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52457 1 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 52457 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600MHz Bruker Avance Neo' _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 52457 _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 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52457 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52457 1 3 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52457 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52457 1 5 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52457 1 6 '3D 1H-13C NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52457 1 7 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52457 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 52457 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'p53TAD2 bound to FOXO4-DRI' _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 TSP 'methyl carbon' . . . . ppm 0.0 external indirect 0.251449530 . . . . . 52457 1 H 1 TSP protons . . . . ppm 0.0 external direct 1 . . . . . 52457 1 N 15 TSP nitrogen . . . . ppm 0.0 external indirect 0.101329118 . . . . . 52457 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 52457 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'p53TAD2 bound to FOXO4-DRI' _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' . . . 52457 1 2 '2D 1H-13C HSQC' . . . 52457 1 3 '3D CBCA(CO)NH' . . . 52457 1 4 '3D HNCACB' . . . 52457 1 5 '3D HCCH-TOCSY' . . . 52457 1 6 '3D 1H-13C NOESY' . . . 52457 1 7 '3D 1H-15N NOESY' . . . 52457 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 . . 52457 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 1 1 SER HA H 1 4.349 0.000 . . . . . . . 37 S HA . 52457 1 2 . 1 . 1 1 1 SER HB2 H 1 3.763 0.000 . . . . . . . 37 S HB2 . 52457 1 3 . 1 . 1 1 1 SER HB3 H 1 3.819 0.000 . . . . . . . 37 S HB3 . 52457 1 4 . 1 . 1 1 1 SER CA C 13 58.527 0.000 . . . . . . . 37 S CA . 52457 1 5 . 1 . 1 1 1 SER CB C 13 63.729 0.007 . . . . . . . 37 S CB . 52457 1 6 . 1 . 1 2 2 GLN H H 1 8.391 0.000 . . . . . . . 38 Q HN . 52457 1 7 . 1 . 1 2 2 GLN HA H 1 4.242 0.000 . . . . . . . 38 Q HA . 52457 1 8 . 1 . 1 2 2 GLN HB2 H 1 2.042 0.000 . . . . . . . 38 Q HB2 . 52457 1 9 . 1 . 1 2 2 GLN HB3 H 1 1.905 0.000 . . . . . . . 38 Q HB3 . 52457 1 10 . 1 . 1 2 2 GLN HG2 H 1 2.277 0.000 . . . . . . . 38 Q QG . 52457 1 11 . 1 . 1 2 2 GLN HG3 H 1 2.277 0.000 . . . . . . . 38 Q QG . 52457 1 12 . 1 . 1 2 2 GLN CA C 13 56.116 0.000 . . . . . . . 38 Q CA . 52457 1 13 . 1 . 1 2 2 GLN CB C 13 29.369 0.023 . . . . . . . 38 Q CB . 52457 1 14 . 1 . 1 2 2 GLN CG C 13 33.838 0.000 . . . . . . . 38 Q CG . 52457 1 15 . 1 . 1 2 2 GLN N N 15 122.073 0.000 . . . . . . . 38 Q N . 52457 1 16 . 1 . 1 3 3 ALA H H 1 8.209 0.000 . . . . . . . 39 A HN . 52457 1 17 . 1 . 1 3 3 ALA HA H 1 4.198 0.000 . . . . . . . 39 A HA . 52457 1 18 . 1 . 1 3 3 ALA CA C 13 52.730 0.000 . . . . . . . 39 A CA . 52457 1 19 . 1 . 1 3 3 ALA CB C 13 19.206 0.000 . . . . . . . 39 A CB . 52457 1 20 . 1 . 1 3 3 ALA N N 15 124.681 0.000 . . . . . . . 39 A N . 52457 1 21 . 1 . 1 4 4 MET H H 1 8.202 0.000 . . . . . . . 40 M HN . 52457 1 22 . 1 . 1 4 4 MET HA H 1 4.316 0.000 . . . . . . . 40 M HA . 52457 1 23 . 1 . 1 4 4 MET HB2 H 1 2.005 0.000 . . . . . . . 40 M HB2 . 52457 1 24 . 1 . 1 4 4 MET HB3 H 1 1.931 0.000 . . . . . . . 40 M HB3 . 52457 1 25 . 1 . 1 4 4 MET HE1 H 1 1.984 0.000 . . . . . . . 40 M HE# . 52457 1 26 . 1 . 1 4 4 MET HE2 H 1 1.984 0.000 . . . . . . . 40 M HE# . 52457 1 27 . 1 . 1 4 4 MET HE3 H 1 1.984 0.000 . . . . . . . 40 M HE# . 52457 1 28 . 1 . 1 4 4 MET CA C 13 55.834 0.000 . . . . . . . 40 M CA . 52457 1 29 . 1 . 1 4 4 MET CB C 13 32.751 0.003 . . . . . . . 40 M CB . 52457 1 30 . 1 . 1 4 4 MET CE C 13 16.904 0.000 . . . . . . . 40 M CE . 52457 1 31 . 1 . 1 4 4 MET N N 15 118.946 0.000 . . . . . . . 40 M N . 52457 1 32 . 1 . 1 5 5 ASP H H 1 8.136 0.000 . . . . . . . 41 D HN . 52457 1 33 . 1 . 1 5 5 ASP HA H 1 4.360 0.000 . . . . . . . 41 D HA . 52457 1 34 . 1 . 1 5 5 ASP HB2 H 1 2.549 0.000 . . . . . . . 41 D HB2 . 52457 1 35 . 1 . 1 5 5 ASP CA C 13 54.838 0.000 . . . . . . . 41 D CA . 52457 1 36 . 1 . 1 5 5 ASP CB C 13 41.054 0.000 . . . . . . . 41 D CB . 52457 1 37 . 1 . 1 5 5 ASP N N 15 120.648 0.000 . . . . . . . 41 D N . 52457 1 38 . 1 . 1 6 6 ASP H H 1 8.126 0.000 . . . . . . . 42 D HN . 52457 1 39 . 1 . 1 6 6 ASP HA H 1 4.433 0.000 . . . . . . . 42 D HA . 52457 1 40 . 1 . 1 6 6 ASP HB2 H 1 2.549 0.000 . . . . . . . 42 D HB2 . 52457 1 41 . 1 . 1 6 6 ASP CA C 13 54.832 0.000 . . . . . . . 42 D CA . 52457 1 42 . 1 . 1 6 6 ASP CB C 13 41.054 0.000 . . . . . . . 42 D CB . 52457 1 43 . 1 . 1 6 6 ASP N N 15 119.869 0.000 . . . . . . . 42 D N . 52457 1 44 . 1 . 1 7 7 LEU H H 1 7.947 0.000 . . . . . . . 43 L HN . 52457 1 45 . 1 . 1 7 7 LEU HA H 1 4.168 0.000 . . . . . . . 43 L HA . 52457 1 46 . 1 . 1 7 7 LEU HB2 H 1 1.592 0.000 . . . . . . . 43 L HB2 . 52457 1 47 . 1 . 1 7 7 LEU HB3 H 1 1.482 0.000 . . . . . . . 43 L HB3 . 52457 1 48 . 1 . 1 7 7 LEU HG H 1 1.525 0.000 . . . . . . . 43 L HG . 52457 1 49 . 1 . 1 7 7 LEU HD11 H 1 0.805 0.000 . . . . . . . 43 L QD1 . 52457 1 50 . 1 . 1 7 7 LEU HD12 H 1 0.805 0.000 . . . . . . . 43 L QD1 . 52457 1 51 . 1 . 1 7 7 LEU HD13 H 1 0.805 0.000 . . . . . . . 43 L QD1 . 52457 1 52 . 1 . 1 7 7 LEU HD21 H 1 0.759 0.000 . . . . . . . 43 L QD2 . 52457 1 53 . 1 . 1 7 7 LEU HD22 H 1 0.759 0.000 . . . . . . . 43 L QD2 . 52457 1 54 . 1 . 1 7 7 LEU HD23 H 1 0.759 0.000 . . . . . . . 43 L QD2 . 52457 1 55 . 1 . 1 7 7 LEU CA C 13 55.529 0.000 . . . . . . . 43 L CA . 52457 1 56 . 1 . 1 7 7 LEU CB C 13 42.195 0.024 . . . . . . . 43 L CB . 52457 1 57 . 1 . 1 7 7 LEU CG C 13 26.901 0.000 . . . . . . . 43 L CG . 52457 1 58 . 1 . 1 7 7 LEU CD1 C 13 25.029 0.000 . . . . . . . 43 L CD1 . 52457 1 59 . 1 . 1 7 7 LEU N N 15 121.235 0.000 . . . . . . . 43 L N . 52457 1 60 . 1 . 1 8 8 MET H H 1 8.109 0.000 . . . . . . . 44 M HN . 52457 1 61 . 1 . 1 8 8 MET HA H 1 4.370 0.000 . . . . . . . 44 M HA . 52457 1 62 . 1 . 1 8 8 MET HB2 H 1 1.998 0.000 . . . . . . . 44 M HB2 . 52457 1 63 . 1 . 1 8 8 MET HB3 H 1 1.912 0.000 . . . . . . . 44 M HB3 . 52457 1 64 . 1 . 1 8 8 MET HE1 H 1 1.983 0.000 . . . . . . . 44 M HE# . 52457 1 65 . 1 . 1 8 8 MET HE2 H 1 1.983 0.000 . . . . . . . 44 M HE# . 52457 1 66 . 1 . 1 8 8 MET HE3 H 1 1.983 0.000 . . . . . . . 44 M HE# . 52457 1 67 . 1 . 1 8 8 MET CA C 13 55.533 0.000 . . . . . . . 44 M CA . 52457 1 68 . 1 . 1 8 8 MET CB C 13 32.381 0.004 . . . . . . . 44 M CB . 52457 1 69 . 1 . 1 8 8 MET N N 15 119.660 0.000 . . . . . . . 44 M N . 52457 1 70 . 1 . 1 9 9 LEU H H 1 7.933 0.000 . . . . . . . 45 L HN . 52457 1 71 . 1 . 1 9 9 LEU HA H 1 4.325 0.000 . . . . . . . 45 L HA . 52457 1 72 . 1 . 1 9 9 LEU HB2 H 1 1.519 0.000 . . . . . . . 45 L HB2 . 52457 1 73 . 1 . 1 9 9 LEU HB3 H 1 1.431 0.000 . . . . . . . 45 L HB3 . 52457 1 74 . 1 . 1 9 9 LEU HG H 1 1.506 0.000 . . . . . . . 45 L HG . 52457 1 75 . 1 . 1 9 9 LEU HD11 H 1 0.756 0.000 . . . . . . . 45 L QD1 . 52457 1 76 . 1 . 1 9 9 LEU HD12 H 1 0.756 0.000 . . . . . . . 45 L QD1 . 52457 1 77 . 1 . 1 9 9 LEU HD13 H 1 0.756 0.000 . . . . . . . 45 L QD1 . 52457 1 78 . 1 . 1 9 9 LEU HD21 H 1 0.733 0.000 . . . . . . . 45 L QD2 . 52457 1 79 . 1 . 1 9 9 LEU HD22 H 1 0.733 0.000 . . . . . . . 45 L QD2 . 52457 1 80 . 1 . 1 9 9 LEU HD23 H 1 0.733 0.000 . . . . . . . 45 L QD2 . 52457 1 81 . 1 . 1 9 9 LEU CA C 13 54.924 0.000 . . . . . . . 45 L CA . 52457 1 82 . 1 . 1 9 9 LEU CB C 13 42.726 0.000 . . . . . . . 45 L CB . 52457 1 83 . 1 . 1 9 9 LEU CG C 13 26.882 0.000 . . . . . . . 45 L CG . 52457 1 84 . 1 . 1 9 9 LEU CD1 C 13 25.135 0.000 . . . . . . . 45 L CD1 . 52457 1 85 . 1 . 1 9 9 LEU N N 15 122.448 0.000 . . . . . . . 45 L N . 52457 1 86 . 1 . 1 10 10 SER H H 1 8.483 0.000 . . . . . . . 46 S HN . 52457 1 87 . 1 . 1 10 10 SER HA H 1 4.699 0.000 . . . . . . . 46 S HA . 52457 1 88 . 1 . 1 10 10 SER HB2 H 1 3.862 0.000 . . . . . . . 46 S HB2 . 52457 1 89 . 1 . 1 10 10 SER HB3 H 1 3.787 0.000 . . . . . . . 46 S HB3 . 52457 1 90 . 1 . 1 10 10 SER CA C 13 55.992 0.000 . . . . . . . 46 S CA . 52457 1 91 . 1 . 1 10 10 SER CB C 13 63.653 0.026 . . . . . . . 46 S CB . 52457 1 92 . 1 . 1 10 10 SER N N 15 118.265 0.000 . . . . . . . 46 S N . 52457 1 93 . 1 . 1 11 11 PRO HA H 1 4.259 0.000 . . . . . . . 47 P HA . 52457 1 94 . 1 . 1 11 11 PRO HB2 H 1 2.180 0.000 . . . . . . . 47 P HB2 . 52457 1 95 . 1 . 1 11 11 PRO HB3 H 1 1.850 0.000 . . . . . . . 47 P HB3 . 52457 1 96 . 1 . 1 11 11 PRO HG2 H 1 1.865 0.000 . . . . . . . 47 P HG2 . 52457 1 97 . 1 . 1 11 11 PRO HG3 H 1 1.919 0.000 . . . . . . . 47 P HG3 . 52457 1 98 . 1 . 1 11 11 PRO HD2 H 1 3.678 0.000 . . . . . . . 47 P HD2 . 52457 1 99 . 1 . 1 11 11 PRO HD3 H 1 3.681 0.000 . . . . . . . 47 P HD3 . 52457 1 100 . 1 . 1 11 11 PRO CA C 13 64.153 0.000 . . . . . . . 47 P CA . 52457 1 101 . 1 . 1 11 11 PRO CB C 13 31.956 0.007 . . . . . . . 47 P CB . 52457 1 102 . 1 . 1 11 11 PRO CG C 13 27.349 0.034 . . . . . . . 47 P CG . 52457 1 103 . 1 . 1 11 11 PRO CD C 13 50.604 0.000 . . . . . . . 47 P CD . 52457 1 104 . 1 . 1 12 12 ASP H H 1 8.075 0.000 . . . . . . . 48 D HN . 52457 1 105 . 1 . 1 12 12 ASP HA H 1 4.433 0.000 . . . . . . . 48 D HA . 52457 1 106 . 1 . 1 12 12 ASP HB2 H 1 2.600 0.000 . . . . . . . 48 D HB2 . 52457 1 107 . 1 . 1 12 12 ASP HB3 H 1 2.449 0.000 . . . . . . . 48 D HB3 . 52457 1 108 . 1 . 1 12 12 ASP CA C 13 55.132 0.000 . . . . . . . 48 D CA . 52457 1 109 . 1 . 1 12 12 ASP CB C 13 41.073 0.009 . . . . . . . 48 D CB . 52457 1 110 . 1 . 1 12 12 ASP N N 15 117.865 0.000 . . . . . . . 48 D N . 52457 1 111 . 1 . 1 13 13 ASP H H 1 7.917 0.000 . . . . . . . 49 D HN . 52457 1 112 . 1 . 1 13 13 ASP HA H 1 4.504 0.000 . . . . . . . 49 D HA . 52457 1 113 . 1 . 1 13 13 ASP HB2 H 1 2.616 0.000 . . . . . . . 49 D QB . 52457 1 114 . 1 . 1 13 13 ASP HB3 H 1 2.616 0.000 . . . . . . . 49 D QB . 52457 1 115 . 1 . 1 13 13 ASP CA C 13 54.920 0.000 . . . . . . . 49 D CA . 52457 1 116 . 1 . 1 13 13 ASP CB C 13 41.388 0.000 . . . . . . . 49 D CB . 52457 1 117 . 1 . 1 13 13 ASP N N 15 119.910 0.000 . . . . . . . 49 D N . 52457 1 118 . 1 . 1 14 14 ILE H H 1 7.690 0.000 . . . . . . . 50 I HN . 52457 1 119 . 1 . 1 14 14 ILE HA H 1 3.841 0.000 . . . . . . . 50 I HA . 52457 1 120 . 1 . 1 14 14 ILE HB H 1 1.757 0.000 . . . . . . . 50 I HB . 52457 1 121 . 1 . 1 14 14 ILE HG12 H 1 1.319 0.000 . . . . . . . 50 I HG12 . 52457 1 122 . 1 . 1 14 14 ILE HG13 H 1 1.027 0.000 . . . . . . . 50 I HG13 . 52457 1 123 . 1 . 1 14 14 ILE HG21 H 1 0.755 0.000 . . . . . . . 50 I QG2 . 52457 1 124 . 1 . 1 14 14 ILE HG22 H 1 0.755 0.000 . . . . . . . 50 I QG2 . 52457 1 125 . 1 . 1 14 14 ILE HG23 H 1 0.755 0.000 . . . . . . . 50 I QG2 . 52457 1 126 . 1 . 1 14 14 ILE HD11 H 1 0.704 0.000 . . . . . . . 50 I QD1 . 52457 1 127 . 1 . 1 14 14 ILE HD12 H 1 0.704 0.000 . . . . . . . 50 I QD1 . 52457 1 128 . 1 . 1 14 14 ILE HD13 H 1 0.704 0.000 . . . . . . . 50 I QD1 . 52457 1 129 . 1 . 1 14 14 ILE CA C 13 62.143 0.000 . . . . . . . 50 I CA . 52457 1 130 . 1 . 1 14 14 ILE CB C 13 38.491 0.000 . . . . . . . 50 I CB . 52457 1 131 . 1 . 1 14 14 ILE CG1 C 13 27.651 0.013 . . . . . . . 50 I CG1 . 52457 1 132 . 1 . 1 14 14 ILE CG2 C 13 17.617 0.000 . . . . . . . 50 I CG2 . 52457 1 133 . 1 . 1 14 14 ILE CD1 C 13 13.187 0.000 . . . . . . . 50 I CD1 . 52457 1 134 . 1 . 1 14 14 ILE N N 15 119.633 0.000 . . . . . . . 50 I N . 52457 1 135 . 1 . 1 15 15 GLU H H 1 8.181 0.000 . . . . . . . 51 E HN . 52457 1 136 . 1 . 1 15 15 GLU HA H 1 4.024 0.000 . . . . . . . 51 E HA . 52457 1 137 . 1 . 1 15 15 GLU HB2 H 1 1.834 0.000 . . . . . . . 51 E HB2 . 52457 1 138 . 1 . 1 15 15 GLU HB3 H 1 1.832 0.000 . . . . . . . 51 E HB3 . 52457 1 139 . 1 . 1 15 15 GLU HG2 H 1 2.165 0.000 . . . . . . . 51 E HG2 . 52457 1 140 . 1 . 1 15 15 GLU HG3 H 1 2.118 0.000 . . . . . . . 51 E HG3 . 52457 1 141 . 1 . 1 15 15 GLU CA C 13 57.397 0.000 . . . . . . . 51 E CA . 52457 1 142 . 1 . 1 15 15 GLU CB C 13 29.819 0.000 . . . . . . . 51 E CB . 52457 1 143 . 1 . 1 15 15 GLU CG C 13 36.363 0.009 . . . . . . . 51 E CG . 52457 1 144 . 1 . 1 15 15 GLU N N 15 122.357 0.000 . . . . . . . 51 E N . 52457 1 145 . 1 . 1 16 16 GLN H H 1 7.972 0.000 . . . . . . . 52 Q HN . 52457 1 146 . 1 . 1 16 16 GLN HA H 1 4.101 0.000 . . . . . . . 52 Q HA . 52457 1 147 . 1 . 1 16 16 GLN HB2 H 1 1.779 0.000 . . . . . . . 52 Q HB2 . 52457 1 148 . 1 . 1 16 16 GLN HB3 H 1 1.841 0.000 . . . . . . . 52 Q HB3 . 52457 1 149 . 1 . 1 16 16 GLN HG2 H 1 2.078 0.000 . . . . . . . 52 Q HG2 . 52457 1 150 . 1 . 1 16 16 GLN HG3 H 1 2.082 0.000 . . . . . . . 52 Q HG3 . 52457 1 151 . 1 . 1 16 16 GLN CA C 13 56.197 0.000 . . . . . . . 52 Q CA . 52457 1 152 . 1 . 1 16 16 GLN CB C 13 29.166 0.006 . . . . . . . 52 Q CB . 52457 1 153 . 1 . 1 16 16 GLN CG C 13 33.623 0.000 . . . . . . . 52 Q CG . 52457 1 154 . 1 . 1 16 16 GLN N N 15 119.236 0.000 . . . . . . . 52 Q N . 52457 1 155 . 1 . 1 17 17 TRP H H 1 7.849 0.000 . . . . . . . 53 W HN . 52457 1 156 . 1 . 1 17 17 TRP HA H 1 4.496 0.000 . . . . . . . 53 W HA . 52457 1 157 . 1 . 1 17 17 TRP HB2 H 1 3.042 0.000 . . . . . . . 53 W HB2 . 52457 1 158 . 1 . 1 17 17 TRP HB3 H 1 3.034 0.000 . . . . . . . 53 W HB3 . 52457 1 159 . 1 . 1 17 17 TRP HD1 H 1 6.965 0.000 . . . . . . . 53 W HD1 . 52457 1 160 . 1 . 1 17 17 TRP HE1 H 1 6.965 0.000 . . . . . . . 53 W HE1 . 52457 1 161 . 1 . 1 17 17 TRP HE3 H 1 7.405 0.000 . . . . . . . 53 W HE3 . 52457 1 162 . 1 . 1 17 17 TRP HZ2 H 1 7.314 0.000 . . . . . . . 53 W HZ2 . 52457 1 163 . 1 . 1 17 17 TRP HZ3 H 1 6.953 0.000 . . . . . . . 53 W HZ3 . 52457 1 164 . 1 . 1 17 17 TRP HH2 H 1 7.055 0.000 . . . . . . . 53 W HH2 . 52457 1 165 . 1 . 1 17 17 TRP CA C 13 57.300 0.000 . . . . . . . 53 W CA . 52457 1 166 . 1 . 1 17 17 TRP CB C 13 29.750 0.000 . . . . . . . 53 W CB . 52457 1 167 . 1 . 1 17 17 TRP CD1 C 13 126.836 0.000 . . . . . . . 53 W CD1 . 52457 1 168 . 1 . 1 17 17 TRP CE3 C 13 120.754 0.000 . . . . . . . 53 W CE3 . 52457 1 169 . 1 . 1 17 17 TRP CZ2 C 13 114.438 0.000 . . . . . . . 53 W CZ2 . 52457 1 170 . 1 . 1 17 17 TRP CZ3 C 13 121.832 0.000 . . . . . . . 53 W CZ3 . 52457 1 171 . 1 . 1 17 17 TRP CH2 C 13 124.472 0.000 . . . . . . . 53 W CH2 . 52457 1 172 . 1 . 1 17 17 TRP N N 15 120.789 0.000 . . . . . . . 53 W N . 52457 1 173 . 1 . 1 18 18 PHE H H 1 7.834 0.000 . . . . . . . 54 F HN . 52457 1 174 . 1 . 1 18 18 PHE HA H 1 4.552 0.000 . . . . . . . 54 F HA . 52457 1 175 . 1 . 1 18 18 PHE HB2 H 1 3.007 0.000 . . . . . . . 54 F HB2 . 52457 1 176 . 1 . 1 18 18 PHE HB3 H 1 2.817 0.000 . . . . . . . 54 F HB3 . 52457 1 177 . 1 . 1 18 18 PHE HE1 H 1 7.097 0.000 . . . . . . . 54 F QE . 52457 1 178 . 1 . 1 18 18 PHE HE2 H 1 7.097 0.000 . . . . . . . 54 F QE . 52457 1 179 . 1 . 1 18 18 PHE CA C 13 57.601 0.000 . . . . . . . 54 F CA . 52457 1 180 . 1 . 1 18 18 PHE CB C 13 39.666 0.000 . . . . . . . 54 F CB . 52457 1 181 . 1 . 1 18 18 PHE CE1 C 13 69.394 0.000 . . . . . . . 54 F CE1 . 52457 1 182 . 1 . 1 18 18 PHE N N 15 120.077 0.000 . . . . . . . 54 F N . 52457 1 183 . 1 . 1 19 19 THR H H 1 7.832 0.000 . . . . . . . 55 T HN . 52457 1 184 . 1 . 1 19 19 THR HA H 1 4.229 0.000 . . . . . . . 55 T HA . 52457 1 185 . 1 . 1 19 19 THR HB H 1 4.095 0.000 . . . . . . . 55 T HB . 52457 1 186 . 1 . 1 19 19 THR HG1 H 1 1.077 0.000 . . . . . . . 55 T HG1 . 52457 1 187 . 1 . 1 19 19 THR HG21 H 1 1.085 0.000 . . . . . . . 55 T QG2 . 52457 1 188 . 1 . 1 19 19 THR HG22 H 1 1.085 0.000 . . . . . . . 55 T QG2 . 52457 1 189 . 1 . 1 19 19 THR HG23 H 1 1.085 0.000 . . . . . . . 55 T QG2 . 52457 1 190 . 1 . 1 19 19 THR CA C 13 61.568 0.000 . . . . . . . 55 T CA . 52457 1 191 . 1 . 1 19 19 THR CB C 13 70.064 0.000 . . . . . . . 55 T CB . 52457 1 192 . 1 . 1 19 19 THR CG2 C 13 21.504 0.000 . . . . . . . 55 T CG2 . 52457 1 193 . 1 . 1 19 19 THR N N 15 115.146 0.000 . . . . . . . 55 T N . 52457 1 194 . 1 . 1 20 20 GLU H H 1 8.263 0.000 . . . . . . . 56 E HN . 52457 1 195 . 1 . 1 20 20 GLU HA H 1 4.233 0.000 . . . . . . . 56 E HA . 52457 1 196 . 1 . 1 20 20 GLU HB2 H 1 2.027 0.000 . . . . . . . 56 E HB2 . 52457 1 197 . 1 . 1 20 20 GLU HB3 H 1 1.823 0.000 . . . . . . . 56 E HB3 . 52457 1 198 . 1 . 1 20 20 GLU HG2 H 1 2.188 0.000 . . . . . . . 56 E HG2 . 52457 1 199 . 1 . 1 20 20 GLU HG3 H 1 2.181 0.000 . . . . . . . 56 E HG3 . 52457 1 200 . 1 . 1 20 20 GLU CA C 13 56.372 0.000 . . . . . . . 56 E CA . 52457 1 201 . 1 . 1 20 20 GLU CB C 13 30.671 0.000 . . . . . . . 56 E CB . 52457 1 202 . 1 . 1 20 20 GLU CG C 13 36.379 0.000 . . . . . . . 56 E CG . 52457 1 203 . 1 . 1 20 20 GLU N N 15 123.242 0.000 . . . . . . . 56 E N . 52457 1 204 . 1 . 1 21 21 ASP H H 1 7.919 0.000 . . . . . . . 57 D HN . 52457 1 205 . 1 . 1 21 21 ASP HA H 1 4.276 0.000 . . . . . . . 57 D HA . 52457 1 206 . 1 . 1 21 21 ASP HB2 H 1 2.572 0.000 . . . . . . . 57 D HB2 . 52457 1 207 . 1 . 1 21 21 ASP HB3 H 1 2.465 0.000 . . . . . . . 57 D HB3 . 52457 1 208 . 1 . 1 21 21 ASP CA C 13 55.968 0.000 . . . . . . . 57 D CA . 52457 1 209 . 1 . 1 21 21 ASP CB C 13 42.287 0.009 . . . . . . . 57 D CB . 52457 1 210 . 1 . 1 21 21 ASP N N 15 126.839 0.000 . . . . . . . 57 D N . 52457 1 stop_ save_