data_52585 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52585 _Entry.Title ; Histone H4 tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-19 _Entry.Accession_date 2024-08-19 _Entry.Last_release_date 2024-08-19 _Entry.Original_release_date 2024-08-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Protonless 13C, 15N chemical shift assignments for Histone H4 residues 1-25 with a C-terminal tryptophan' _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 Sophia Dewing . M. . . 52585 2 Scott Showalter . A. . 0000-0001-5179-032X 52585 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Penn State University' . 52585 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52585 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 98 52585 '15N chemical shifts' 25 52585 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-11-15 . original BMRB . 52585 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52586 'Histone H4 Tail with Uniform Lysine Acetylation' 52585 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52585 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39437158 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Acetylation-Dependent Compaction of the Histone H4 Tail Ensemble ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full 'The journal of physical chemistry. B' _Citation.Journal_volume 128 _Citation.Journal_issue 43 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5207 _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 10636 _Citation.Page_last 10649 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sophia Dewing S. M. . . 52585 1 2 Tien Phan T. M. . . 52585 1 3 Emma Kraft E. J. . . 52585 1 4 Jeetain Mittal J. . . . 52585 1 5 Scott Showalter S. A. . . 52585 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52585 _Assembly.ID 1 _Assembly.Name 'Histone H4 tail' _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 'Histone H4' 1 $entity_1 . . yes native no no . . . 52585 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52585 _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 ; SGRGKGGKGLGKGGAKRHRK VLRDNW ; _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 26 _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 . 52585 1 2 . GLY . 52585 1 3 . ARG . 52585 1 4 . GLY . 52585 1 5 . LYS . 52585 1 6 . GLY . 52585 1 7 . GLY . 52585 1 8 . LYS . 52585 1 9 . GLY . 52585 1 10 . LEU . 52585 1 11 . GLY . 52585 1 12 . LYS . 52585 1 13 . GLY . 52585 1 14 . GLY . 52585 1 15 . ALA . 52585 1 16 . LYS . 52585 1 17 . ARG . 52585 1 18 . HIS . 52585 1 19 . ARG . 52585 1 20 . LYS . 52585 1 21 . VAL . 52585 1 22 . LEU . 52585 1 23 . ARG . 52585 1 24 . ASP . 52585 1 25 . ASN . 52585 1 26 . TRP . 52585 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 52585 1 . GLY 2 2 52585 1 . ARG 3 3 52585 1 . GLY 4 4 52585 1 . LYS 5 5 52585 1 . GLY 6 6 52585 1 . GLY 7 7 52585 1 . LYS 8 8 52585 1 . GLY 9 9 52585 1 . LEU 10 10 52585 1 . GLY 11 11 52585 1 . LYS 12 12 52585 1 . GLY 13 13 52585 1 . GLY 14 14 52585 1 . ALA 15 15 52585 1 . LYS 16 16 52585 1 . ARG 17 17 52585 1 . HIS 18 18 52585 1 . ARG 19 19 52585 1 . LYS 20 20 52585 1 . VAL 21 21 52585 1 . LEU 22 22 52585 1 . ARG 23 23 52585 1 . ASP 24 24 52585 1 . ASN 25 25 52585 1 . TRP 26 26 52585 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 52585 _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 . . . . . . . . . . . . . 52585 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 52585 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET His6 TEV LIC' . . . 52585 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52585 _Sample.ID 1 _Sample.Name 'Histone H4 tail' _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 H4 tail' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52585 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52585 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52585 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 52585 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Histone H4 tail' _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' 0.2 . M 52585 1 pH 7.2 . pH 52585 1 pressure 1 . atm 52585 1 temperature 298 . K 52585 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52585 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52585 1 processing . 52585 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52585 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52585 2 'data analysis' . 52585 2 'peak picking' . 52585 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 52585 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVIII 500 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 52585 _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 15N-13C CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52585 1 2 '3D 15N-13C CCCON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52585 1 3 '3D 15N-13C HACANCACON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52585 1 4 '15N-13C HACANCANCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52585 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 52585 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Histone H4 tail' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52585 1 H 1 DSS 'methyl protons' . . . . ppm -2.60 external direct 1 . . . . . 52585 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52585 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 52585 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Histone H4 tail' _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 15N-13C CON' . . . 52585 1 2 '3D 15N-13C CCCON' . . . 52585 1 3 '3D 15N-13C HACANCACON' . . . 52585 1 4 '15N-13C HACANCANCO' . . . 52585 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 . . 52585 1 2 $software_2 . . 52585 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 C C 13 175.8 0.3 . 1 . . . . . 1 SER C . 52585 1 2 . 1 . 1 1 1 SER CA C 13 58.02 0.3 . 1 . . . . . 1 SER CA . 52585 1 3 . 1 . 1 1 1 SER CB C 13 65.41 0.3 . 1 . . . . . 1 SER CB . 52585 1 4 . 1 . 1 2 2 GLY C C 13 174.3 0.3 . 1 . . . . . 2 GLY C . 52585 1 5 . 1 . 1 2 2 GLY CA C 13 42.85 0.3 . 1 . . . . . 2 GLY CA . 52585 1 6 . 1 . 1 2 2 GLY N N 15 111.2 0.3 . 1 . . . . . 2 GLY N . 52585 1 7 . 1 . 1 3 3 ARG C C 13 177.1 0.3 . 1 . . . . . 3 ARG C . 52585 1 8 . 1 . 1 3 3 ARG CA C 13 56.35 0.3 . 1 . . . . . 3 ARG CA . 52585 1 9 . 1 . 1 3 3 ARG CB C 13 30.63 0.3 . 1 . . . . . 3 ARG CB . 52585 1 10 . 1 . 1 3 3 ARG CG C 13 27.24 0.3 . 1 . . . . . 3 ARG CG . 52585 1 11 . 1 . 1 3 3 ARG CD C 13 43.23 0.3 . 1 . . . . . 3 ARG CD . 52585 1 12 . 1 . 1 3 3 ARG N N 15 120.6 0.3 . 1 . . . . . 3 ARG N . 52585 1 13 . 1 . 1 4 4 GLY C C 13 174.3 0.3 . 1 . . . . . 4 GLY C . 52585 1 14 . 1 . 1 4 4 GLY CA C 13 42.96 0.3 . 1 . . . . . 4 GLY CA . 52585 1 15 . 1 . 1 4 4 GLY N N 15 110.1 0.3 . 1 . . . . . 4 GLY N . 52585 1 16 . 1 . 1 5 5 LYS C C 13 177.2 0.3 . 1 . . . . . 5 LYS C . 52585 1 17 . 1 . 1 5 5 LYS CA C 13 56.41 0.3 . 1 . . . . . 5 LYS CA . 52585 1 18 . 1 . 1 5 5 LYS CB C 13 32.9 0.3 . 1 . . . . . 5 LYS CB . 52585 1 19 . 1 . 1 5 5 LYS CG C 13 24.79 0.3 . 1 . . . . . 5 LYS CG . 52585 1 20 . 1 . 1 5 5 LYS CD C 13 29.13 0.3 . 1 . . . . . 5 LYS CD . 52585 1 21 . 1 . 1 5 5 LYS CE C 13 42.1 0.3 . 1 . . . . . 5 LYS CE . 52585 1 22 . 1 . 1 5 5 LYS N N 15 120.9 0.3 . 1 . . . . . 5 LYS N . 52585 1 23 . 1 . 1 6 6 GLY C C 13 174.7 0.3 . 1 . . . . . 6 GLY C . 52585 1 24 . 1 . 1 6 6 GLY CA C 13 42.96 0.3 . 1 . . . . . 6 GLY CA . 52585 1 25 . 1 . 1 6 6 GLY N N 15 109.9 0.3 . 1 . . . . . 6 GLY N . 52585 1 26 . 1 . 1 7 7 GLY C C 13 174.3 0.3 . 1 . . . . . 7 GLY C . 52585 1 27 . 1 . 1 7 7 GLY CA C 13 42.8 0.3 . 1 . . . . . 7 GLY CA . 52585 1 28 . 1 . 1 7 7 GLY N N 15 108.8 0.3 . 1 . . . . . 7 GLY N . 52585 1 29 . 1 . 1 8 8 LYS C C 13 177.4 0.3 . 1 . . . . . 8 LYS C . 52585 1 30 . 1 . 1 8 8 LYS CA C 13 56.39 0.3 . 1 . . . . . 8 LYS CA . 52585 1 31 . 1 . 1 8 8 LYS CB C 13 32.89 0.3 . 1 . . . . . 8 LYS CB . 52585 1 32 . 1 . 1 8 8 LYS CG C 13 24.69 0.3 . 1 . . . . . 8 LYS CG . 52585 1 33 . 1 . 1 8 8 LYS CD C 13 29.13 0.3 . 1 . . . . . 8 LYS CD . 52585 1 34 . 1 . 1 8 8 LYS CE C 13 42.1 0.3 . 1 . . . . . 8 LYS CE . 52585 1 35 . 1 . 1 8 8 LYS N N 15 120.8 0.3 . 1 . . . . . 8 LYS N . 52585 1 36 . 1 . 1 9 9 GLY C C 13 174.2 0.3 . 1 . . . . . 9 GLY CO . 52585 1 37 . 1 . 1 9 9 GLY CA C 13 45.32 0.3 . 1 . . . . . 9 GLY CA . 52585 1 38 . 1 . 1 9 9 GLY N N 15 110.1 0.3 . 1 . . . . . 9 GLY N . 52585 1 39 . 1 . 1 10 10 LEU C C 13 178.0 0.3 . 1 . . . . . 10 LEU C . 52585 1 40 . 1 . 1 10 10 LEU CA C 13 55.16 0.3 . 1 . . . . . 10 LEU CA . 52585 1 41 . 1 . 1 10 10 LEU CB C 13 42.61 0.3 . 1 . . . . . 10 LEU CB . 52585 1 42 . 1 . 1 10 10 LEU CG C 13 26.86 0.3 . 1 . . . . . 10 LEU CG . 52585 1 43 . 1 . 1 10 10 LEU CD1 C 13 24.92 0.3 . 2 . . . . . 10 LEU CD1 . 52585 1 44 . 1 . 1 10 10 LEU CD2 C 13 23.14 0.3 . 2 . . . . . 10 LEU CD2 . 52585 1 45 . 1 . 1 10 10 LEU N N 15 121.4 0.3 . 1 . . . . . 10 LEU N . 52585 1 46 . 1 . 1 11 11 GLY C C 13 174.3 0.3 . 1 . . . . . 11 GLY C . 52585 1 47 . 1 . 1 11 11 GLY CA C 13 45.24 0.3 . 1 . . . . . 11 GLY CA . 52585 1 48 . 1 . 1 11 11 GLY N N 15 109.4 0.3 . 1 . . . . . 11 GLY N . 52585 1 49 . 1 . 1 12 12 LYS C C 13 177.4 0.3 . 1 . . . . . 12 LYS C . 52585 1 50 . 1 . 1 12 12 LYS CA C 13 56.37 0.3 . 1 . . . . . 12 LYS CA . 52585 1 51 . 1 . 1 12 12 LYS CB C 13 32.95 0.3 . 1 . . . . . 12 LYS CB . 52585 1 52 . 1 . 1 12 12 LYS CG C 13 24.68 0.3 . 1 . . . . . 12 LYS CG . 52585 1 53 . 1 . 1 12 12 LYS CD C 13 29.2 0.3 . 1 . . . . . 12 LYS CD . 52585 1 54 . 1 . 1 12 12 LYS CE C 13 42.08 0.3 . 1 . . . . . 12 LYS CE . 52585 1 55 . 1 . 1 12 12 LYS N N 15 121.1 0.3 . 1 . . . . . 12 LYS N . 52585 1 56 . 1 . 1 13 13 GLY C C 13 174.7 0.3 . 1 . . . . . 13 GLY C . 52585 1 57 . 1 . 1 13 13 GLY CA C 13 45.33 0.3 . 1 . . . . . 13 GLY CA . 52585 1 58 . 1 . 1 13 13 GLY N N 15 110.0 0.3 . 1 . . . . . 13 GLY N . 52585 1 59 . 1 . 1 14 14 GLY C C 13 174.0 0.3 . 1 . . . . . 14 GLY C . 52585 1 60 . 1 . 1 14 14 GLY CA C 13 45.18 0.3 . 1 . . . . . 14 GLY CA . 52585 1 61 . 1 . 1 14 14 GLY N N 15 108.8 0.3 . 1 . . . . . 14 GLY N . 52585 1 62 . 1 . 1 15 15 ALA C C 13 177.9 0.3 . 1 . . . . . 15 ALA C . 52585 1 63 . 1 . 1 15 15 ALA CA C 13 52.41 0.3 . 1 . . . . . 15 ALA CA . 52585 1 64 . 1 . 1 15 15 ALA CB C 13 19.61 0.3 . 1 . . . . . 15 ALA CB . 52585 1 65 . 1 . 1 15 15 ALA N N 15 123.7 0.3 . 1 . . . . . 15 ALA N . 52585 1 66 . 1 . 1 16 16 LYS C C 13 176.6 0.3 . 1 . . . . . 16 LYS C . 52585 1 67 . 1 . 1 16 16 LYS CA C 13 56.32 0.3 . 1 . . . . . 16 LYS CA . 52585 1 68 . 1 . 1 16 16 LYS CB C 13 32.84 0.3 . 1 . . . . . 16 LYS CB . 52585 1 69 . 1 . 1 16 16 LYS CG C 13 24.84 0.3 . 1 . . . . . 16 LYS CG . 52585 1 70 . 1 . 1 16 16 LYS CD C 13 29.08 0.3 . 1 . . . . . 16 LYS CD . 52585 1 71 . 1 . 1 16 16 LYS CE C 13 42.08 0.3 . 1 . . . . . 16 LYS CE . 52585 1 72 . 1 . 1 16 16 LYS N N 15 120.4 0.3 . 1 . . . . . 16 LYS N . 52585 1 73 . 1 . 1 17 17 ARG C C 13 176.0 0.3 . 1 . . . . . 17 ARG C . 52585 1 74 . 1 . 1 17 17 ARG CA C 13 56.05 0.3 . 1 . . . . . 17 ARG CA . 52585 1 75 . 1 . 1 17 17 ARG CB C 13 30.67 0.3 . 1 . . . . . 17 ARG CB . 52585 1 76 . 1 . 1 17 17 ARG CG C 13 27.08 0.3 . 1 . . . . . 17 ARG CG . 52585 1 77 . 1 . 1 17 17 ARG CD C 13 43.22 0.3 . 1 . . . . . 17 ARG CD . 52585 1 78 . 1 . 1 17 17 ARG N N 15 121.7 0.3 . 1 . . . . . 17 ARG N . 52585 1 79 . 1 . 1 18 18 HIS C C 13 175.3 0.3 . 1 . . . . . 18 HIS C . 52585 1 80 . 1 . 1 18 18 HIS CA C 13 56.25 0.3 . 1 . . . . . 18 HIS CA . 52585 1 81 . 1 . 1 18 18 HIS CB C 13 30.94 0.3 . 1 . . . . . 18 HIS CB . 52585 1 82 . 1 . 1 18 18 HIS N N 15 120.9 0.3 . 1 . . . . . 18 HIS N . 52585 1 83 . 1 . 1 19 19 ARG C C 13 175.9 0.3 . 1 . . . . . 19 ARG C . 52585 1 84 . 1 . 1 19 19 ARG CA C 13 56.06 0.3 . 1 . . . . . 19 ARG CA . 52585 1 85 . 1 . 1 19 19 ARG CB C 13 30.86 0.3 . 1 . . . . . 19 ARG CB . 52585 1 86 . 1 . 1 19 19 ARG CG C 13 27.27 0.3 . 1 . . . . . 19 ARG CG . 52585 1 87 . 1 . 1 19 19 ARG CD C 13 43.3 0.3 . 1 . . . . . 19 ARG CD . 52585 1 88 . 1 . 1 19 19 ARG N N 15 122.5 0.3 . 1 . . . . . 19 ARG N . 52585 1 89 . 1 . 1 20 20 LYS C C 13 176.2 0.3 . 1 . . . . . 20 LYS C . 52585 1 90 . 1 . 1 20 20 LYS CA C 13 56.4 0.3 . 1 . . . . . 20 LYS CA . 52585 1 91 . 1 . 1 20 20 LYS CB C 13 32.95 0.3 . 1 . . . . . 20 LYS CB . 52585 1 92 . 1 . 1 20 20 LYS CG C 13 24.87 0.3 . 1 . . . . . 20 LYS CG . 52585 1 93 . 1 . 1 20 20 LYS CD C 13 29.24 0.3 . 1 . . . . . 20 LYS CD . 52585 1 94 . 1 . 1 20 20 LYS CE C 13 42.03 0.3 . 1 . . . . . 20 LYS CE . 52585 1 95 . 1 . 1 20 20 LYS N N 15 123.0 0.3 . 1 . . . . . 20 LYS N . 52585 1 96 . 1 . 1 21 21 VAL C C 13 175.8 0.3 . 1 . . . . . 21 VAL C . 52585 1 97 . 1 . 1 21 21 VAL CA C 13 62.07 0.3 . 1 . . . . . 21 VAL CA . 52585 1 98 . 1 . 1 21 21 VAL CB C 13 32.75 0.3 . 1 . . . . . 21 VAL CB . 52585 1 99 . 1 . 1 21 21 VAL CG1 C 13 20.77 0.3 . 2 . . . . . 21 VAL CG1 . 52585 1 100 . 1 . 1 21 21 VAL CG2 C 13 21.77 0.3 . 2 . . . . . 21 VAL CG2 . 52585 1 101 . 1 . 1 21 21 VAL N N 15 121.8 0.3 . 1 . . . . . 21 VAL N . 52585 1 102 . 1 . 1 22 22 LEU C C 13 176.8 0.3 . 1 . . . . . 22 LEU C . 52585 1 103 . 1 . 1 22 22 LEU CA C 13 54.96 0.3 . 1 . . . . . 22 LEU CA . 52585 1 104 . 1 . 1 22 22 LEU CB C 13 42.33 0.3 . 1 . . . . . 22 LEU CB . 52585 1 105 . 1 . 1 22 22 LEU CG C 13 26.98 0.3 . 1 . . . . . 22 LEU CG . 52585 1 106 . 1 . 1 22 22 LEU CD1 C 13 24.68 0.3 . 2 . . . . . 22 LEU CD1 . 52585 1 107 . 1 . 1 22 22 LEU CD2 C 13 23.64 0.3 . 2 . . . . . 22 LEU CD2 . 52585 1 108 . 1 . 1 22 22 LEU N N 15 126.3 0.3 . 1 . . . . . 22 LEU N . 52585 1 109 . 1 . 1 23 23 ARG C C 13 175.6 0.3 . 1 . . . . . 23 ARG C . 52585 1 110 . 1 . 1 23 23 ARG CA C 13 55.77 0.3 . 1 . . . . . 23 ARG CA . 52585 1 111 . 1 . 1 23 23 ARG CB C 13 30.94 0.3 . 1 . . . . . 23 ARG CB . 52585 1 112 . 1 . 1 23 23 ARG CG C 13 26.9 0.3 . 1 . . . . . 23 ARG CG . 52585 1 113 . 1 . 1 23 23 ARG CD C 13 43.22 0.3 . 1 . . . . . 23 ARG CD . 52585 1 114 . 1 . 1 23 23 ARG N N 15 121.6 0.3 . 1 . . . . . 23 ARG N . 52585 1 115 . 1 . 1 24 24 ASP C C 13 175.5 0.3 . 1 . . . . . 24 ASP C . 52585 1 116 . 1 . 1 24 24 ASP CA C 13 54.34 0.3 . 1 . . . . . 24 ASP CA . 52585 1 117 . 1 . 1 24 24 ASP CB C 13 41.23 0.3 . 1 . . . . . 24 ASP CB . 52585 1 118 . 1 . 1 24 24 ASP N N 15 120.8 0.3 . 1 . . . . . 24 ASP N . 52585 1 119 . 1 . 1 25 25 ASN C C 13 173.7 0.3 . 1 . . . . . 25 ASN C . 52585 1 120 . 1 . 1 25 25 ASN CA C 13 52.98 0.3 . 1 . . . . . 25 ASN CA . 52585 1 121 . 1 . 1 25 25 ASN CB C 13 39.31 0.3 . 1 . . . . . 25 ASN CB . 52585 1 122 . 1 . 1 25 25 ASN N N 15 118.2 0.3 . 1 . . . . . 25 ASN N . 52585 1 123 . 1 . 1 26 26 TRP N N 15 126.2 0.3 . 1 . . . . . 26 TRP N . 52585 1 stop_ save_