data_53981 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53981 _Entry.Title ; Histone H2A(1-28) F25Y ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-08-18 _Entry.Accession_date 2026-08-18 _Entry.Last_release_date 2026-08-18 _Entry.Original_release_date 2026-08-18 _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 'The data in this entry are for 13C/15N-labeled H2A(1-28) F25Y histone tail peptide.' _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 Alex Kowalczyk . J. . 0000-0002-3438-9689 53981 2 Emma Morrison . A. . 0000-0001-6722-7961 53981 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53981 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 48 53981 '15N chemical shifts' 25 53981 '1H chemical shifts' 25 53981 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 . . 2026-11-03 . original BMRB . 53981 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53978 'PAD1 citrullinated histone H3(1-44)' 53981 BMRB 53979 'Histone H4(1-33) T30Y' 53981 BMRB 53980 'PAD1 citrullinated histone H4(1-33) T30Y' 53981 BMRB 53982 'PAD1 citrullinated histone H2A(1-28) F25Y' 53981 BMRB 53983 'Histone H2B(1-39)' 53981 BMRB 53984 'PAD1 citrullinated histone H2B(1-39)' 53981 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53981 _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 ; Differential histone tail citrullination by PAD Enzymes observed via NMR spectroscopy ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 Alex Kowalczyk . J. . . 53981 1 2 Emma Morrison . A. . . 53981 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53981 _Assembly.ID 1 _Assembly.Name 'Histone H2A(1-28) F25Y' _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 'single polypeptide chain' _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 'Histone H2A(1-28) F25Y' 1 $entity_1 . . yes 'intrinsically disordered' no no . . . 53981 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53981 _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 ; SGRGKQGGKARAKAKTRSSR AGLQYPVG ; _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 28 _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 . SER . 53981 1 2 . GLY . 53981 1 3 . ARG . 53981 1 4 . GLY . 53981 1 5 . LYS . 53981 1 6 . GLN . 53981 1 7 . GLY . 53981 1 8 . GLY . 53981 1 9 . LYS . 53981 1 10 . ALA . 53981 1 11 . ARG . 53981 1 12 . ALA . 53981 1 13 . LYS . 53981 1 14 . ALA . 53981 1 15 . LYS . 53981 1 16 . THR . 53981 1 17 . ARG . 53981 1 18 . SER . 53981 1 19 . SER . 53981 1 20 . ARG . 53981 1 21 . ALA . 53981 1 22 . GLY . 53981 1 23 . LEU . 53981 1 24 . GLN . 53981 1 25 . TYR . 53981 1 26 . PRO . 53981 1 27 . VAL . 53981 1 28 . GLY . 53981 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 53981 1 . GLY 2 2 53981 1 . ARG 3 3 53981 1 . GLY 4 4 53981 1 . LYS 5 5 53981 1 . GLN 6 6 53981 1 . GLY 7 7 53981 1 . GLY 8 8 53981 1 . LYS 9 9 53981 1 . ALA 10 10 53981 1 . ARG 11 11 53981 1 . ALA 12 12 53981 1 . LYS 13 13 53981 1 . ALA 14 14 53981 1 . LYS 15 15 53981 1 . THR 16 16 53981 1 . ARG 17 17 53981 1 . SER 18 18 53981 1 . SER 19 19 53981 1 . ARG 20 20 53981 1 . ALA 21 21 53981 1 . GLY 22 22 53981 1 . LEU 23 23 53981 1 . GLN 24 24 53981 1 . TYR 25 25 53981 1 . PRO 26 26 53981 1 . VAL 27 27 53981 1 . GLY 28 28 53981 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 53981 _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 . . . . . . . . . . . . . 53981 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 53981 _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 . . pET3a . . . 53981 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53981 _Sample.ID 1 _Sample.Name '13C/15N Histone H2A(1-28) F25Y' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Histone H2A(1-28) F25Y' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM . . . . 53981 1 2 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 53981 1 3 NaOH 'natural abundance' . . . . . . 7 . . mM . . . . 53981 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 53981 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 53981 1 6 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 53981 1 7 CaCl2 'natural abundance' . . . . . . 2 . . mM . . . . 53981 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 53981 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard 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 pH 7 . pH 53981 1 temperature 283 . K 53981 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53981 _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 . 53981 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53981 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53981 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53981 _Software.ID 3 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53981 3 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 53981 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE III HD 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 53981 _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 . . . . . . . . . . . . . . . . . 53981 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53981 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53981 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53981 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 53981 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'processing and analyzing' 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 53981 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift 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 C 13 water protons . . . . ppm 4.916 internal indirect . . . . . . 53981 1 H 1 water protons . . . . ppm 4.916 internal direct 1 . . . . . 53981 1 N 15 water protons . . . . ppm 4.916 internal indirect . . . . . . 53981 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 53981 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Histone H2A(1-28) F25Y' _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' . . . 53981 1 2 '3D HNCACB' . . . 53981 1 3 '3D CBCA(CO)NH' . . . 53981 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 . . 53981 1 2 $software_2 . . 53981 1 3 $software_3 . . 53981 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY CA C 13 45.144 0.011 . 1 . . . . . 2 GLY CA . 53981 1 2 . 1 . 1 3 3 ARG H H 1 8.496 0.001 . 1 . . . . . 3 ARG H . 53981 1 3 . 1 . 1 3 3 ARG CA C 13 56.195 0.052 . 1 . . . . . 3 ARG CA . 53981 1 4 . 1 . 1 3 3 ARG CB C 13 30.839 0.044 . 1 . . . . . 3 ARG CB . 53981 1 5 . 1 . 1 3 3 ARG N N 15 120.866 0.008 . 1 . . . . . 3 ARG N . 53981 1 6 . 1 . 1 4 4 GLY H H 1 8.552 0.003 . 1 . . . . . 4 GLY H . 53981 1 7 . 1 . 1 4 4 GLY CA C 13 45.177 0.034 . 1 . . . . . 4 GLY CA . 53981 1 8 . 1 . 1 4 4 GLY N N 15 110.320 0.036 . 1 . . . . . 4 GLY N . 53981 1 9 . 1 . 1 5 5 LYS H H 1 8.286 0.001 . 1 . . . . . 5 LYS H . 53981 1 10 . 1 . 1 5 5 LYS CA C 13 56.279 0.111 . 1 . . . . . 5 LYS CA . 53981 1 11 . 1 . 1 5 5 LYS CB C 13 32.872 0.037 . 1 . . . . . 5 LYS CB . 53981 1 12 . 1 . 1 5 5 LYS N N 15 121.188 0.009 . 1 . . . . . 5 LYS N . 53981 1 13 . 1 . 1 6 6 GLN H H 1 8.609 0.001 . 1 . . . . . 6 GLN H . 53981 1 14 . 1 . 1 6 6 GLN CA C 13 56.052 0.113 . 1 . . . . . 6 GLN CA . 53981 1 15 . 1 . 1 6 6 GLN CB C 13 29.472 0.094 . 1 . . . . . 6 GLN CB . 53981 1 16 . 1 . 1 6 6 GLN N N 15 121.913 0.026 . 1 . . . . . 6 GLN N . 53981 1 17 . 1 . 1 7 7 GLY H H 1 8.534 0.002 . 1 . . . . . 7 GLY H . 53981 1 18 . 1 . 1 7 7 GLY CA C 13 45.254 0.080 . 1 . . . . . 7 GLY CA . 53981 1 19 . 1 . 1 7 7 GLY N N 15 110.717 0.128 . 1 . . . . . 7 GLY N . 53981 1 20 . 1 . 1 8 8 GLY H H 1 8.355 0.001 . 1 . . . . . 8 GLY H . 53981 1 21 . 1 . 1 8 8 GLY CA C 13 45.138 0.048 . 1 . . . . . 8 GLY CA . 53981 1 22 . 1 . 1 8 8 GLY N N 15 108.877 0.012 . 1 . . . . . 8 GLY N . 53981 1 23 . 1 . 1 9 9 LYS H H 1 8.383 0.002 . 1 . . . . . 9 LYS H . 53981 1 24 . 1 . 1 9 9 LYS CA C 13 56.141 0.048 . 1 . . . . . 9 LYS CA . 53981 1 25 . 1 . 1 9 9 LYS CB C 13 32.822 0.056 . 1 . . . . . 9 LYS CB . 53981 1 26 . 1 . 1 9 9 LYS N N 15 121.302 0.007 . 1 . . . . . 9 LYS N . 53981 1 27 . 1 . 1 10 10 ALA H H 1 8.384 0.000 . 1 . . . . . 10 ALA H . 53981 1 28 . 1 . 1 10 10 ALA CA C 13 52.485 0.113 . 1 . . . . . 10 ALA CA . 53981 1 29 . 1 . 1 10 10 ALA CB C 13 19.222 0.053 . 1 . . . . . 10 ALA CB . 53981 1 30 . 1 . 1 10 10 ALA N N 15 126.016 0.006 . 1 . . . . . 10 ALA N . 53981 1 31 . 1 . 1 11 11 ARG H H 1 8.376 0.001 . 1 . . . . . 11 ARG H . 53981 1 32 . 1 . 1 11 11 ARG CA C 13 56.128 0.045 . 1 . . . . . 11 ARG CA . 53981 1 33 . 1 . 1 11 11 ARG CB C 13 30.871 0.053 . 1 . . . . . 11 ARG CB . 53981 1 34 . 1 . 1 11 11 ARG N N 15 121.147 0.013 . 1 . . . . . 11 ARG N . 53981 1 35 . 1 . 1 12 12 ALA H H 1 8.375 0.000 . 1 . . . . . 12 ALA H . 53981 1 36 . 1 . 1 12 12 ALA CA C 13 52.357 0.049 . 1 . . . . . 12 ALA CA . 53981 1 37 . 1 . 1 12 12 ALA CB C 13 19.268 0.007 . 1 . . . . . 12 ALA CB . 53981 1 38 . 1 . 1 12 12 ALA N N 15 125.935 0.004 . 1 . . . . . 12 ALA N . 53981 1 39 . 1 . 1 13 13 LYS H H 1 8.475 0.001 . 1 . . . . . 13 LYS H . 53981 1 40 . 1 . 1 13 13 LYS CA C 13 56.246 0.111 . 1 . . . . . 13 LYS CA . 53981 1 41 . 1 . 1 13 13 LYS CB C 13 32.902 0.069 . 1 . . . . . 13 LYS CB . 53981 1 42 . 1 . 1 13 13 LYS N N 15 121.530 0.010 . 1 . . . . . 13 LYS N . 53981 1 43 . 1 . 1 14 14 ALA H H 1 8.393 0.002 . 1 . . . . . 14 ALA H . 53981 1 44 . 1 . 1 14 14 ALA CA C 13 52.660 0.168 . 1 . . . . . 14 ALA CA . 53981 1 45 . 1 . 1 14 14 ALA CB C 13 19.260 0.002 . 1 . . . . . 14 ALA CB . 53981 1 46 . 1 . 1 14 14 ALA N N 15 125.583 0.011 . 1 . . . . . 14 ALA N . 53981 1 47 . 1 . 1 15 15 LYS H H 1 8.390 0.002 . 1 . . . . . 15 LYS H . 53981 1 48 . 1 . 1 15 15 LYS CA C 13 56.228 0.103 . 1 . . . . . 15 LYS CA . 53981 1 49 . 1 . 1 15 15 LYS CB C 13 32.872 0.012 . 1 . . . . . 15 LYS CB . 53981 1 50 . 1 . 1 15 15 LYS N N 15 121.499 0.008 . 1 . . . . . 15 LYS N . 53981 1 51 . 1 . 1 16 16 THR H H 1 8.232 0.001 . 1 . . . . . 16 THR H . 53981 1 52 . 1 . 1 16 16 THR CA C 13 61.880 0.092 . 1 . . . . . 16 THR CA . 53981 1 53 . 1 . 1 16 16 THR CB C 13 70.021 0.029 . 1 . . . . . 16 THR CB . 53981 1 54 . 1 . 1 16 16 THR N N 15 116.250 0.021 . 1 . . . . . 16 THR N . 53981 1 55 . 1 . 1 17 17 ARG H H 1 8.551 0.001 . 1 . . . . . 17 ARG H . 53981 1 56 . 1 . 1 17 17 ARG CA C 13 56.241 0.043 . 1 . . . . . 17 ARG CA . 53981 1 57 . 1 . 1 17 17 ARG CB C 13 30.863 0.027 . 1 . . . . . 17 ARG CB . 53981 1 58 . 1 . 1 17 17 ARG N N 15 124.016 0.009 . 1 . . . . . 17 ARG N . 53981 1 59 . 1 . 1 18 18 SER H H 1 8.487 0.001 . 1 . . . . . 18 SER H . 53981 1 60 . 1 . 1 18 18 SER CA C 13 58.180 0.064 . 1 . . . . . 18 SER CA . 53981 1 61 . 1 . 1 18 18 SER CB C 13 63.847 0.063 . 1 . . . . . 18 SER CB . 53981 1 62 . 1 . 1 18 18 SER N N 15 117.647 0.024 . 1 . . . . . 18 SER N . 53981 1 63 . 1 . 1 19 19 SER H H 1 8.487 0.001 . 1 . . . . . 19 SER H . 53981 1 64 . 1 . 1 19 19 SER CA C 13 58.590 0.112 . 1 . . . . . 19 SER CA . 53981 1 65 . 1 . 1 19 19 SER CB C 13 63.940 0.093 . 1 . . . . . 19 SER CB . 53981 1 66 . 1 . 1 19 19 SER N N 15 118.564 0.048 . 1 . . . . . 19 SER N . 53981 1 67 . 1 . 1 20 20 ARG H H 1 8.411 0.001 . 1 . . . . . 20 ARG H . 53981 1 68 . 1 . 1 20 20 ARG CA C 13 56.239 0.053 . 1 . . . . . 20 ARG CA . 53981 1 69 . 1 . 1 20 20 ARG CB C 13 30.653 0.019 . 1 . . . . . 20 ARG CB . 53981 1 70 . 1 . 1 20 20 ARG N N 15 122.948 0.016 . 1 . . . . . 20 ARG N . 53981 1 71 . 1 . 1 21 21 ALA H H 1 8.309 0.001 . 1 . . . . . 21 ALA H . 53981 1 72 . 1 . 1 21 21 ALA CA C 13 52.837 0.050 . 1 . . . . . 21 ALA CA . 53981 1 73 . 1 . 1 21 21 ALA CB C 13 19.176 0.003 . 1 . . . . . 21 ALA CB . 53981 1 74 . 1 . 1 21 21 ALA N N 15 124.995 0.014 . 1 . . . . . 21 ALA N . 53981 1 75 . 1 . 1 22 22 GLY H H 1 8.384 0.001 . 1 . . . . . 22 GLY H . 53981 1 76 . 1 . 1 22 22 GLY CA C 13 45.136 0.023 . 1 . . . . . 22 GLY CA . 53981 1 77 . 1 . 1 22 22 GLY N N 15 108.282 0.011 . 1 . . . . . 22 GLY N . 53981 1 78 . 1 . 1 23 23 LEU H H 1 8.033 0.001 . 1 . . . . . 23 LEU H . 53981 1 79 . 1 . 1 23 23 LEU CA C 13 55.033 0.079 . 1 . . . . . 23 LEU CA . 53981 1 80 . 1 . 1 23 23 LEU CB C 13 42.464 0.037 . 1 . . . . . 23 LEU CB . 53981 1 81 . 1 . 1 23 23 LEU N N 15 121.524 0.005 . 1 . . . . . 23 LEU N . 53981 1 82 . 1 . 1 24 24 GLN H H 1 8.397 0.001 . 1 . . . . . 24 GLN H . 53981 1 83 . 1 . 1 24 24 GLN CA C 13 55.690 0.136 . 1 . . . . . 24 GLN CA . 53981 1 84 . 1 . 1 24 24 GLN CB C 13 29.507 0.057 . 1 . . . . . 24 GLN CB . 53981 1 85 . 1 . 1 24 24 GLN N N 15 120.857 0.006 . 1 . . . . . 24 GLN N . 53981 1 86 . 1 . 1 25 25 TYR H H 1 8.161 0.002 . 1 . . . . . 25 TYR H . 53981 1 87 . 1 . 1 25 25 TYR CA C 13 55.479 0.031 . 1 . . . . . 25 TYR CA . 53981 1 88 . 1 . 1 25 25 TYR CB C 13 38.173 0.000 . 1 . . . . . 25 TYR CB . 53981 1 89 . 1 . 1 25 25 TYR N N 15 121.765 0.040 . 1 . . . . . 25 TYR N . 53981 1 90 . 1 . 1 26 26 PRO CA C 13 63.086 0.037 . 1 . . . . . 26 PRO CA . 53981 1 91 . 1 . 1 26 26 PRO CB C 13 32.066 0.000 . 1 . . . . . 26 PRO CB . 53981 1 92 . 1 . 1 27 27 VAL H H 1 8.322 0.001 . 1 . . . . . 27 VAL H . 53981 1 93 . 1 . 1 27 27 VAL CA C 13 62.236 0.077 . 1 . . . . . 27 VAL CA . 53981 1 94 . 1 . 1 27 27 VAL CB C 13 32.851 0.024 . 1 . . . . . 27 VAL CB . 53981 1 95 . 1 . 1 27 27 VAL N N 15 120.439 0.016 . 1 . . . . . 27 VAL N . 53981 1 96 . 1 . 1 28 28 GLY H H 1 8.107 0.001 . 1 . . . . . 28 GLY H . 53981 1 97 . 1 . 1 28 28 GLY CA C 13 45.926 0.085 . 1 . . . . . 28 GLY CA . 53981 1 98 . 1 . 1 28 28 GLY N N 15 118.830 0.039 . 1 . . . . . 28 GLY N . 53981 1 stop_ save_