data_51124 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51124 _Entry.Title ; Backbone 1H, 15N chemical shift assignments of human p53 1-94 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-04 _Entry.Accession_date 2021-10-04 _Entry.Last_release_date 2021-10-04 _Entry.Original_release_date 2021-10-04 _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 Benjamin Bourgeois . . . . 51124 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51124 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 64 51124 '1H chemical shifts' 63 51124 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 . . 2021-11-21 . original BMRB . 51124 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51125 'p53 TAD2 37-57' 51124 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51124 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34768862 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; p53 Transactivation Domain Mediates Binding and Phase Separation with Poly-PR/GR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 22 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 11431 _Citation.Page_last 11431 _Citation.Year 2021 _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 Sinem Usluer . . . . 51124 1 2 Emil Spreitzer . . . . 51124 1 3 Benjamin Bourgeois . . . . 51124 1 4 Tobias Madl . . . . 51124 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'poly-PR/GR, neurodegenerative disease, LLPS, p53, intrinsically disordered domains, membraneless organelles' 51124 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51124 _Assembly.ID 1 _Assembly.Name 'p53 1-94' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 1-94' 1 $entity_1 . . yes native no no . . . 51124 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51124 _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 TPAAPAPAPSWPLS ; _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 94 _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 . 51124 1 2 . GLU . 51124 1 3 . GLU . 51124 1 4 . PRO . 51124 1 5 . GLN . 51124 1 6 . SER . 51124 1 7 . ASP . 51124 1 8 . PRO . 51124 1 9 . SER . 51124 1 10 . VAL . 51124 1 11 . GLU . 51124 1 12 . PRO . 51124 1 13 . PRO . 51124 1 14 . LEU . 51124 1 15 . SER . 51124 1 16 . GLN . 51124 1 17 . GLU . 51124 1 18 . THR . 51124 1 19 . PHE . 51124 1 20 . SER . 51124 1 21 . ASP . 51124 1 22 . LEU . 51124 1 23 . TRP . 51124 1 24 . LYS . 51124 1 25 . LEU . 51124 1 26 . LEU . 51124 1 27 . PRO . 51124 1 28 . GLU . 51124 1 29 . ASN . 51124 1 30 . ASN . 51124 1 31 . VAL . 51124 1 32 . LEU . 51124 1 33 . SER . 51124 1 34 . PRO . 51124 1 35 . LEU . 51124 1 36 . PRO . 51124 1 37 . SER . 51124 1 38 . GLN . 51124 1 39 . ALA . 51124 1 40 . MET . 51124 1 41 . ASP . 51124 1 42 . ASP . 51124 1 43 . LEU . 51124 1 44 . MET . 51124 1 45 . LEU . 51124 1 46 . SER . 51124 1 47 . PRO . 51124 1 48 . ASP . 51124 1 49 . ASP . 51124 1 50 . ILE . 51124 1 51 . GLU . 51124 1 52 . GLN . 51124 1 53 . TRP . 51124 1 54 . PHE . 51124 1 55 . THR . 51124 1 56 . GLU . 51124 1 57 . ASP . 51124 1 58 . PRO . 51124 1 59 . GLY . 51124 1 60 . PRO . 51124 1 61 . ASP . 51124 1 62 . GLU . 51124 1 63 . ALA . 51124 1 64 . PRO . 51124 1 65 . ARG . 51124 1 66 . MET . 51124 1 67 . PRO . 51124 1 68 . GLU . 51124 1 69 . ALA . 51124 1 70 . ALA . 51124 1 71 . PRO . 51124 1 72 . PRO . 51124 1 73 . VAL . 51124 1 74 . ALA . 51124 1 75 . PRO . 51124 1 76 . ALA . 51124 1 77 . PRO . 51124 1 78 . ALA . 51124 1 79 . ALA . 51124 1 80 . PRO . 51124 1 81 . THR . 51124 1 82 . PRO . 51124 1 83 . ALA . 51124 1 84 . ALA . 51124 1 85 . PRO . 51124 1 86 . ALA . 51124 1 87 . PRO . 51124 1 88 . ALA . 51124 1 89 . PRO . 51124 1 90 . SER . 51124 1 91 . TRP . 51124 1 92 . PRO . 51124 1 93 . LEU . 51124 1 94 . SER . 51124 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 51124 1 . GLU 2 2 51124 1 . GLU 3 3 51124 1 . PRO 4 4 51124 1 . GLN 5 5 51124 1 . SER 6 6 51124 1 . ASP 7 7 51124 1 . PRO 8 8 51124 1 . SER 9 9 51124 1 . VAL 10 10 51124 1 . GLU 11 11 51124 1 . PRO 12 12 51124 1 . PRO 13 13 51124 1 . LEU 14 14 51124 1 . SER 15 15 51124 1 . GLN 16 16 51124 1 . GLU 17 17 51124 1 . THR 18 18 51124 1 . PHE 19 19 51124 1 . SER 20 20 51124 1 . ASP 21 21 51124 1 . LEU 22 22 51124 1 . TRP 23 23 51124 1 . LYS 24 24 51124 1 . LEU 25 25 51124 1 . LEU 26 26 51124 1 . PRO 27 27 51124 1 . GLU 28 28 51124 1 . ASN 29 29 51124 1 . ASN 30 30 51124 1 . VAL 31 31 51124 1 . LEU 32 32 51124 1 . SER 33 33 51124 1 . PRO 34 34 51124 1 . LEU 35 35 51124 1 . PRO 36 36 51124 1 . SER 37 37 51124 1 . GLN 38 38 51124 1 . ALA 39 39 51124 1 . MET 40 40 51124 1 . ASP 41 41 51124 1 . ASP 42 42 51124 1 . LEU 43 43 51124 1 . MET 44 44 51124 1 . LEU 45 45 51124 1 . SER 46 46 51124 1 . PRO 47 47 51124 1 . ASP 48 48 51124 1 . ASP 49 49 51124 1 . ILE 50 50 51124 1 . GLU 51 51 51124 1 . GLN 52 52 51124 1 . TRP 53 53 51124 1 . PHE 54 54 51124 1 . THR 55 55 51124 1 . GLU 56 56 51124 1 . ASP 57 57 51124 1 . PRO 58 58 51124 1 . GLY 59 59 51124 1 . PRO 60 60 51124 1 . ASP 61 61 51124 1 . GLU 62 62 51124 1 . ALA 63 63 51124 1 . PRO 64 64 51124 1 . ARG 65 65 51124 1 . MET 66 66 51124 1 . PRO 67 67 51124 1 . GLU 68 68 51124 1 . ALA 69 69 51124 1 . ALA 70 70 51124 1 . PRO 71 71 51124 1 . PRO 72 72 51124 1 . VAL 73 73 51124 1 . ALA 74 74 51124 1 . PRO 75 75 51124 1 . ALA 76 76 51124 1 . PRO 77 77 51124 1 . ALA 78 78 51124 1 . ALA 79 79 51124 1 . PRO 80 80 51124 1 . THR 81 81 51124 1 . PRO 82 82 51124 1 . ALA 83 83 51124 1 . ALA 84 84 51124 1 . PRO 85 85 51124 1 . ALA 86 86 51124 1 . PRO 87 87 51124 1 . ALA 88 88 51124 1 . PRO 89 89 51124 1 . SER 90 90 51124 1 . TRP 91 91 51124 1 . PRO 92 92 51124 1 . LEU 93 93 51124 1 . SER 94 94 51124 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51124 _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 . . . . . . . . . . . . . 51124 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 51124 _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 . . pETM11 . . . 51124 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51124 _Sample.ID 1 _Sample.Name p53 _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 1-94' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 51124 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 51124 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51124 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51124 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51124 1 6 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 51124 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 51124 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 51124 1 pH 7 . pH 51124 1 pressure 1 . atm 51124 1 temperature 298 . K 51124 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51124 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51124 1 processing . 51124 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51124 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51124 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 51124 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance NEO 600MHz' _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 51124 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51124 1 2 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51124 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51124 1 4 '3D HN(CA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51124 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 51124 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CS_reference _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 H 1 water protons . . . . ppm 4.7 na indirect 1 . . . . . 51124 1 N 15 'ammonium chloride' nitrogen . . . . ppm 117 na indirect 1 . . . . . 51124 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 51124 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name p53_TAD_1_94_backbone_1H_15N_assignment _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 2 '3D CBCACONH' . . . 51124 1 3 '3D HNCACB' . . . 51124 1 4 '3D HN(CA)NNH' . . . 51124 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 . . 51124 1 2 $software_2 . . 51124 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 MET N N 15 119.018 0.043 . . . . . . . 1 M N . 51124 1 2 . 1 . 1 2 2 GLU H H 1 8.282 0.002 . . . . . . . 2 E HN . 51124 1 3 . 1 . 1 2 2 GLU N N 15 121.702 0.034 . . . . . . . 2 E N . 51124 1 4 . 1 . 1 3 3 GLU H H 1 8.277 0.006 . . . . . . . 3 E HN . 51124 1 5 . 1 . 1 3 3 GLU N N 15 123.302 0.037 . . . . . . . 3 E N . 51124 1 6 . 1 . 1 5 5 GLN H H 1 8.470 0.004 . . . . . . . 5 Q HN . 51124 1 7 . 1 . 1 5 5 GLN N N 15 120.912 0.047 . . . . . . . 5 Q N . 51124 1 8 . 1 . 1 6 6 SER H H 1 8.292 0.005 . . . . . . . 6 S HN . 51124 1 9 . 1 . 1 6 6 SER N N 15 117.620 0.053 . . . . . . . 6 S N . 51124 1 10 . 1 . 1 7 7 ASP H H 1 8.353 0.003 . . . . . . . 7 D HN . 51124 1 11 . 1 . 1 7 7 ASP N N 15 123.537 0.014 . . . . . . . 7 D N . 51124 1 12 . 1 . 1 9 9 SER H H 1 8.434 0.002 . . . . . . . 9 S HN . 51124 1 13 . 1 . 1 9 9 SER N N 15 115.931 0.046 . . . . . . . 9 S N . 51124 1 14 . 1 . 1 10 10 VAL H H 1 7.787 0.010 . . . . . . . 10 V HN . 51124 1 15 . 1 . 1 10 10 VAL N N 15 120.974 0.144 . . . . . . . 10 V N . 51124 1 16 . 1 . 1 11 11 GLU H H 1 8.247 0.006 . . . . . . . 11 E HN . 51124 1 17 . 1 . 1 11 11 GLU N N 15 126.051 0.074 . . . . . . . 11 E N . 51124 1 18 . 1 . 1 14 14 LEU H H 1 8.256 0.006 . . . . . . . 14 L HN . 51124 1 19 . 1 . 1 14 14 LEU N N 15 122.340 0.053 . . . . . . . 14 L N . 51124 1 20 . 1 . 1 15 15 SER H H 1 8.246 0.007 . . . . . . . 15 S HN . 51124 1 21 . 1 . 1 15 15 SER N N 15 116.626 0.091 . . . . . . . 15 S N . 51124 1 22 . 1 . 1 16 16 GLN H H 1 8.409 0.003 . . . . . . . 16 Q HN . 51124 1 23 . 1 . 1 16 16 GLN N N 15 122.428 0.032 . . . . . . . 16 Q N . 51124 1 24 . 1 . 1 17 17 GLU H H 1 8.386 0.004 . . . . . . . 17 E HN . 51124 1 25 . 1 . 1 17 17 GLU N N 15 121.851 0.081 . . . . . . . 17 E N . 51124 1 26 . 1 . 1 18 18 THR H H 1 8.019 0.003 . . . . . . . 18 T HN . 51124 1 27 . 1 . 1 18 18 THR N N 15 114.849 0.059 . . . . . . . 18 T N . 51124 1 28 . 1 . 1 19 19 PHE H H 1 8.155 0.002 . . . . . . . 19 F HN . 51124 1 29 . 1 . 1 19 19 PHE N N 15 122.208 0.091 . . . . . . . 19 F N . 51124 1 30 . 1 . 1 20 20 SER H H 1 8.010 0.002 . . . . . . . 20 S HN . 51124 1 31 . 1 . 1 20 20 SER N N 15 116.663 0.080 . . . . . . . 20 S N . 51124 1 32 . 1 . 1 21 21 ASP H H 1 8.193 0.001 . . . . . . . 21 D HN . 51124 1 33 . 1 . 1 21 21 ASP N N 15 122.068 0.042 . . . . . . . 21 D N . 51124 1 34 . 1 . 1 22 22 LEU H H 1 7.854 0.002 . . . . . . . 22 L HN . 51124 1 35 . 1 . 1 22 22 LEU N N 15 121.076 0.057 . . . . . . . 22 L N . 51124 1 36 . 1 . 1 23 23 TRP H H 1 7.766 0.002 . . . . . . . 23 W HN . 51124 1 37 . 1 . 1 23 23 TRP N N 15 119.278 0.078 . . . . . . . 23 W N . 51124 1 38 . 1 . 1 24 24 LYS H H 1 7.491 0.008 . . . . . . . 24 K HN . 51124 1 39 . 1 . 1 24 24 LYS N N 15 120.420 0.117 . . . . . . . 24 K N . 51124 1 40 . 1 . 1 25 25 LEU H H 1 7.741 0.002 . . . . . . . 25 L HN . 51124 1 41 . 1 . 1 25 25 LEU N N 15 120.755 0.022 . . . . . . . 25 L N . 51124 1 42 . 1 . 1 26 26 LEU H H 1 7.833 0.009 . . . . . . . 26 L HN . 51124 1 43 . 1 . 1 26 26 LEU N N 15 123.617 0.131 . . . . . . . 26 L N . 51124 1 44 . 1 . 1 28 28 GLU H H 1 8.619 0.002 . . . . . . . 28 E HN . 51124 1 45 . 1 . 1 28 28 GLU N N 15 119.763 0.054 . . . . . . . 28 E N . 51124 1 46 . 1 . 1 29 29 ASN H H 1 8.204 0.004 . . . . . . . 29 N HN . 51124 1 47 . 1 . 1 29 29 ASN N N 15 118.798 0.099 . . . . . . . 29 N N . 51124 1 48 . 1 . 1 30 30 ASN H H 1 8.199 0.013 . . . . . . . 30 N HN . 51124 1 49 . 1 . 1 30 30 ASN N N 15 119.426 0.214 . . . . . . . 30 N N . 51124 1 50 . 1 . 1 31 31 VAL H H 1 7.939 0.015 . . . . . . . 31 V HN . 51124 1 51 . 1 . 1 31 31 VAL N N 15 120.132 0.091 . . . . . . . 31 V N . 51124 1 52 . 1 . 1 32 32 LEU H H 1 8.208 0.000 . . . . . . . 32 L HN . 51124 1 53 . 1 . 1 32 32 LEU N N 15 125.385 0.000 . . . . . . . 32 L N . 51124 1 54 . 1 . 1 33 33 SER H H 1 8.136 0.013 . . . . . . . 33 S HN . 51124 1 55 . 1 . 1 33 33 SER N N 15 118.025 0.118 . . . . . . . 33 S N . 51124 1 56 . 1 . 1 35 35 LEU H H 1 8.219 0.015 . . . . . . . 35 L HN . 51124 1 57 . 1 . 1 35 35 LEU N N 15 123.624 0.122 . . . . . . . 35 L N . 51124 1 58 . 1 . 1 37 37 SER H H 1 8.254 0.010 . . . . . . . 37 S HN . 51124 1 59 . 1 . 1 37 37 SER N N 15 115.601 0.121 . . . . . . . 37 S N . 51124 1 60 . 1 . 1 38 38 GLN H H 1 8.296 0.003 . . . . . . . 38 Q HN . 51124 1 61 . 1 . 1 38 38 GLN N N 15 122.175 0.023 . . . . . . . 38 Q N . 51124 1 62 . 1 . 1 39 39 ALA H H 1 8.231 0.000 . . . . . . . 39 A HN . 51124 1 63 . 1 . 1 39 39 ALA N N 15 125.033 0.000 . . . . . . . 39 A N . 51124 1 64 . 1 . 1 40 40 MET H H 1 8.250 0.022 . . . . . . . 40 M HN . 51124 1 65 . 1 . 1 40 40 MET N N 15 119.491 0.157 . . . . . . . 40 M N . 51124 1 66 . 1 . 1 41 41 ASP H H 1 8.165 0.015 . . . . . . . 41 D HN . 51124 1 67 . 1 . 1 41 41 ASP N N 15 120.938 0.134 . . . . . . . 41 D N . 51124 1 68 . 1 . 1 42 42 ASP H H 1 8.149 0.018 . . . . . . . 42 D HN . 51124 1 69 . 1 . 1 42 42 ASP N N 15 120.103 0.261 . . . . . . . 42 D N . 51124 1 70 . 1 . 1 43 43 LEU H H 1 7.992 0.013 . . . . . . . 43 L HN . 51124 1 71 . 1 . 1 43 43 LEU N N 15 121.639 0.198 . . . . . . . 43 L N . 51124 1 72 . 1 . 1 44 44 MET H H 1 8.168 0.012 . . . . . . . 44 M HN . 51124 1 73 . 1 . 1 44 44 MET N N 15 120.321 0.150 . . . . . . . 44 M N . 51124 1 74 . 1 . 1 45 45 LEU H H 1 7.994 0.025 . . . . . . . 45 L HN . 51124 1 75 . 1 . 1 45 45 LEU N N 15 123.079 0.288 . . . . . . . 45 L N . 51124 1 76 . 1 . 1 46 46 SER H H 1 8.439 0.020 . . . . . . . 46 S HN . 51124 1 77 . 1 . 1 46 46 SER N N 15 118.378 0.079 . . . . . . . 46 S N . 51124 1 78 . 1 . 1 48 48 ASP H H 1 8.125 0.022 . . . . . . . 48 D HN . 51124 1 79 . 1 . 1 48 48 ASP N N 15 118.765 0.415 . . . . . . . 48 D N . 51124 1 80 . 1 . 1 49 49 ASP H H 1 8.009 0.032 . . . . . . . 49 D HN . 51124 1 81 . 1 . 1 49 49 ASP N N 15 120.137 0.154 . . . . . . . 49 D N . 51124 1 82 . 1 . 1 50 50 ILE H H 1 7.764 0.017 . . . . . . . 50 I HN . 51124 1 83 . 1 . 1 50 50 ILE N N 15 120.058 0.154 . . . . . . . 50 I N . 51124 1 84 . 1 . 1 51 51 GLU H H 1 8.255 0.029 . . . . . . . 51 E HN . 51124 1 85 . 1 . 1 51 51 GLU N N 15 123.789 0.172 . . . . . . . 51 E N . 51124 1 86 . 1 . 1 52 52 GLN H H 1 8.056 0.020 . . . . . . . 52 Q HN . 51124 1 87 . 1 . 1 52 52 GLN N N 15 120.302 0.351 . . . . . . . 52 Q N . 51124 1 88 . 1 . 1 53 53 TRP H H 1 7.896 0.012 . . . . . . . 53 W HN . 51124 1 89 . 1 . 1 53 53 TRP N N 15 121.491 0.243 . . . . . . . 53 W N . 51124 1 90 . 1 . 1 54 54 PHE H H 1 7.894 0.014 . . . . . . . 54 F HN . 51124 1 91 . 1 . 1 54 54 PHE N N 15 121.495 0.234 . . . . . . . 54 F N . 51124 1 92 . 1 . 1 55 55 THR H H 1 7.901 0.005 . . . . . . . 55 T HN . 51124 1 93 . 1 . 1 55 55 THR N N 15 116.202 0.421 . . . . . . . 55 T N . 51124 1 94 . 1 . 1 56 56 GLU H H 1 8.224 0.004 . . . . . . . 56 E HN . 51124 1 95 . 1 . 1 56 56 GLU N N 15 123.294 0.231 . . . . . . . 56 E N . 51124 1 96 . 1 . 1 57 57 ASP H H 1 8.353 0.011 . . . . . . . 57 D HN . 51124 1 97 . 1 . 1 57 57 ASP N N 15 123.367 0.180 . . . . . . . 57 D N . 51124 1 98 . 1 . 1 59 59 GLY H H 1 8.312 0.001 . . . . . . . 59 G HN . 51124 1 99 . 1 . 1 59 59 GLY N N 15 109.207 0.041 . . . . . . . 59 G N . 51124 1 100 . 1 . 1 61 61 ASP H H 1 8.358 0.009 . . . . . . . 61 D HN . 51124 1 101 . 1 . 1 61 61 ASP N N 15 119.876 0.046 . . . . . . . 61 D N . 51124 1 102 . 1 . 1 62 62 GLU H H 1 8.034 0.003 . . . . . . . 62 E HN . 51124 1 103 . 1 . 1 62 62 GLU N N 15 120.840 0.054 . . . . . . . 62 E N . 51124 1 104 . 1 . 1 63 63 ALA H H 1 8.181 0.002 . . . . . . . 63 A HN . 51124 1 105 . 1 . 1 63 63 ALA N N 15 126.548 0.054 . . . . . . . 63 A N . 51124 1 106 . 1 . 1 65 65 ARG H H 1 8.371 0.005 . . . . . . . 65 R HN . 51124 1 107 . 1 . 1 65 65 ARG N N 15 121.860 0.070 . . . . . . . 65 R N . 51124 1 108 . 1 . 1 66 66 MET H H 1 8.405 0.006 . . . . . . . 66 M HN . 51124 1 109 . 1 . 1 66 66 MET N N 15 123.328 0.033 . . . . . . . 66 M N . 51124 1 110 . 1 . 1 68 68 GLU H H 1 8.442 0.005 . . . . . . . 68 E HN . 51124 1 111 . 1 . 1 68 68 GLU N N 15 121.189 0.062 . . . . . . . 68 E N . 51124 1 112 . 1 . 1 69 69 ALA H H 1 8.214 0.006 . . . . . . . 69 A HN . 51124 1 113 . 1 . 1 69 69 ALA N N 15 125.544 0.050 . . . . . . . 69 A N . 51124 1 114 . 1 . 1 73 73 VAL H H 1 8.068 0.004 . . . . . . . 73 V HN . 51124 1 115 . 1 . 1 73 73 VAL N N 15 120.415 0.049 . . . . . . . 73 V N . 51124 1 116 . 1 . 1 74 74 ALA H H 1 8.301 0.002 . . . . . . . 74 A HN . 51124 1 117 . 1 . 1 74 74 ALA N N 15 129.554 0.031 . . . . . . . 74 A N . 51124 1 118 . 1 . 1 81 81 THR H H 1 8.222 0.003 . . . . . . . 81 T HN . 51124 1 119 . 1 . 1 81 81 THR N N 15 117.342 0.028 . . . . . . . 81 T N . 51124 1 120 . 1 . 1 90 90 SER H H 1 8.041 0.003 . . . . . . . 90 S HN . 51124 1 121 . 1 . 1 90 90 SER N N 15 115.602 0.040 . . . . . . . 90 S N . 51124 1 122 . 1 . 1 91 91 TRP H H 1 7.946 0.001 . . . . . . . 91 W HN . 51124 1 123 . 1 . 1 91 91 TRP N N 15 123.758 0.032 . . . . . . . 91 W N . 51124 1 124 . 1 . 1 93 93 LEU H H 1 8.062 0.003 . . . . . . . 93 L HN . 51124 1 125 . 1 . 1 93 93 LEU N N 15 122.850 0.041 . . . . . . . 93 L N . 51124 1 126 . 1 . 1 94 94 SER H H 1 7.670 0.002 . . . . . . . 94 S HN . 51124 1 127 . 1 . 1 94 94 SER N N 15 120.956 0.032 . . . . . . . 94 S N . 51124 1 stop_ save_