data_53182 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53182 _Entry.Title ; H3 N-tail in H4ac chromatosome ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-15 _Entry.Accession_date 2025-05-15 _Entry.Last_release_date 2025-05-22 _Entry.Original_release_date 2025-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Ayako Furukawa . . . . 53182 2 Kenta Echigoya . . . . 53182 3 Masatoshi Wakamori . . . . 53182 4 Hideaki Ohtomo . . . . 53182 5 Yasuo Tsunaka . . . . 53182 6 Takashi Umehara . . . . 53182 7 Yoshimasa Takizawa . . . . 53182 8 Hitoshi Kurumizaka . . . . 53182 9 Yoshifumi Nishimura . . . . 53182 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53182 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 33 53182 '1H chemical shifts' 33 53182 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 . . 2026-02-25 . original BMRB . 53182 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51262 'histone H3 H4 N-tail in nucleosome' 53182 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53182 _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 ; Linker histone H1 represses H3 tail acetylation induced by H4 tail acetylation, altering their dynamics ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications Biology' _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 Ayako Furukawa . . . . 53182 1 2 Kenta Echigoya . . . . 53182 1 3 Masatoshi Wakamori . . . . 53182 1 4 Hideaki Ohtomo . . . . 53182 1 5 Yasuo Tsunaka . . . . 53182 1 6 Takashi Umehara . . . . 53182 1 7 Yoshimasa Takizawa . . . . 53182 1 8 Hitoshi Kurumizaka . . . . 53182 1 9 Yoshifumi Nishimura . . . . 53182 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53182 _Assembly.ID 1 _Assembly.Name chromatosome _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 'H3 N-tail in H4ac chromatosome' _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 H3.1 1 $entity_1 . . yes native no no . . . 53182 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53182 _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 ; MARTKQTARKSTGGKAPRKQ LATKAARKSAPATGGVKKPH RYRPGTVALREIRRYQKSTE LLIRKLPFQRLVREIAQDFK TDLRFQSSAVMALQEACEAY LVGLFEDTNLCAIHAKRVTI MPKDIQLARRIRGERA ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 0 MET . 53182 1 2 1 ALA . 53182 1 3 2 ARG . 53182 1 4 3 THR . 53182 1 5 4 LYS . 53182 1 6 5 GLN . 53182 1 7 6 THR . 53182 1 8 7 ALA . 53182 1 9 8 ARG . 53182 1 10 9 LYS . 53182 1 11 10 SER . 53182 1 12 11 THR . 53182 1 13 12 GLY . 53182 1 14 13 GLY . 53182 1 15 14 LYS . 53182 1 16 15 ALA . 53182 1 17 16 PRO . 53182 1 18 17 ARG . 53182 1 19 18 LYS . 53182 1 20 19 GLN . 53182 1 21 20 LEU . 53182 1 22 21 ALA . 53182 1 23 22 THR . 53182 1 24 23 LYS . 53182 1 25 24 ALA . 53182 1 26 25 ALA . 53182 1 27 26 ARG . 53182 1 28 27 LYS . 53182 1 29 28 SER . 53182 1 30 29 ALA . 53182 1 31 30 PRO . 53182 1 32 31 ALA . 53182 1 33 32 THR . 53182 1 34 33 GLY . 53182 1 35 34 GLY . 53182 1 36 35 VAL . 53182 1 37 36 LYS . 53182 1 38 37 LYS . 53182 1 39 38 PRO . 53182 1 40 39 HIS . 53182 1 41 40 ARG . 53182 1 42 41 TYR . 53182 1 43 42 ARG . 53182 1 44 43 PRO . 53182 1 45 44 GLY . 53182 1 46 45 THR . 53182 1 47 46 VAL . 53182 1 48 47 ALA . 53182 1 49 48 LEU . 53182 1 50 49 ARG . 53182 1 51 50 GLU . 53182 1 52 51 ILE . 53182 1 53 52 ARG . 53182 1 54 53 ARG . 53182 1 55 54 TYR . 53182 1 56 55 GLN . 53182 1 57 56 LYS . 53182 1 58 57 SER . 53182 1 59 58 THR . 53182 1 60 59 GLU . 53182 1 61 60 LEU . 53182 1 62 61 LEU . 53182 1 63 62 ILE . 53182 1 64 63 ARG . 53182 1 65 64 LYS . 53182 1 66 65 LEU . 53182 1 67 66 PRO . 53182 1 68 67 PHE . 53182 1 69 68 GLN . 53182 1 70 69 ARG . 53182 1 71 70 LEU . 53182 1 72 71 VAL . 53182 1 73 72 ARG . 53182 1 74 73 GLU . 53182 1 75 74 ILE . 53182 1 76 75 ALA . 53182 1 77 76 GLN . 53182 1 78 77 ASP . 53182 1 79 78 PHE . 53182 1 80 79 LYS . 53182 1 81 80 THR . 53182 1 82 81 ASP . 53182 1 83 82 LEU . 53182 1 84 83 ARG . 53182 1 85 84 PHE . 53182 1 86 85 GLN . 53182 1 87 86 SER . 53182 1 88 87 SER . 53182 1 89 88 ALA . 53182 1 90 89 VAL . 53182 1 91 90 MET . 53182 1 92 91 ALA . 53182 1 93 92 LEU . 53182 1 94 93 GLN . 53182 1 95 94 GLU . 53182 1 96 95 ALA . 53182 1 97 96 CYS . 53182 1 98 97 GLU . 53182 1 99 98 ALA . 53182 1 100 99 TYR . 53182 1 101 100 LEU . 53182 1 102 101 VAL . 53182 1 103 102 GLY . 53182 1 104 103 LEU . 53182 1 105 104 PHE . 53182 1 106 105 GLU . 53182 1 107 106 ASP . 53182 1 108 107 THR . 53182 1 109 108 ASN . 53182 1 110 109 LEU . 53182 1 111 110 CYS . 53182 1 112 111 ALA . 53182 1 113 112 ILE . 53182 1 114 113 HIS . 53182 1 115 114 ALA . 53182 1 116 115 LYS . 53182 1 117 116 ARG . 53182 1 118 117 VAL . 53182 1 119 118 THR . 53182 1 120 119 ILE . 53182 1 121 120 MET . 53182 1 122 121 PRO . 53182 1 123 122 LYS . 53182 1 124 123 ASP . 53182 1 125 124 ILE . 53182 1 126 125 GLN . 53182 1 127 126 LEU . 53182 1 128 127 ALA . 53182 1 129 128 ARG . 53182 1 130 129 ARG . 53182 1 131 130 ILE . 53182 1 132 131 ARG . 53182 1 133 132 GLY . 53182 1 134 133 GLU . 53182 1 135 134 ARG . 53182 1 136 135 ALA . 53182 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 53182 1 . ALA 2 2 53182 1 . ARG 3 3 53182 1 . THR 4 4 53182 1 . LYS 5 5 53182 1 . GLN 6 6 53182 1 . THR 7 7 53182 1 . ALA 8 8 53182 1 . ARG 9 9 53182 1 . LYS 10 10 53182 1 . SER 11 11 53182 1 . THR 12 12 53182 1 . GLY 13 13 53182 1 . GLY 14 14 53182 1 . LYS 15 15 53182 1 . ALA 16 16 53182 1 . PRO 17 17 53182 1 . ARG 18 18 53182 1 . LYS 19 19 53182 1 . GLN 20 20 53182 1 . LEU 21 21 53182 1 . ALA 22 22 53182 1 . THR 23 23 53182 1 . LYS 24 24 53182 1 . ALA 25 25 53182 1 . ALA 26 26 53182 1 . ARG 27 27 53182 1 . LYS 28 28 53182 1 . SER 29 29 53182 1 . ALA 30 30 53182 1 . PRO 31 31 53182 1 . ALA 32 32 53182 1 . THR 33 33 53182 1 . GLY 34 34 53182 1 . GLY 35 35 53182 1 . VAL 36 36 53182 1 . LYS 37 37 53182 1 . LYS 38 38 53182 1 . PRO 39 39 53182 1 . HIS 40 40 53182 1 . ARG 41 41 53182 1 . TYR 42 42 53182 1 . ARG 43 43 53182 1 . PRO 44 44 53182 1 . GLY 45 45 53182 1 . THR 46 46 53182 1 . VAL 47 47 53182 1 . ALA 48 48 53182 1 . LEU 49 49 53182 1 . ARG 50 50 53182 1 . GLU 51 51 53182 1 . ILE 52 52 53182 1 . ARG 53 53 53182 1 . ARG 54 54 53182 1 . TYR 55 55 53182 1 . GLN 56 56 53182 1 . LYS 57 57 53182 1 . SER 58 58 53182 1 . THR 59 59 53182 1 . GLU 60 60 53182 1 . LEU 61 61 53182 1 . LEU 62 62 53182 1 . ILE 63 63 53182 1 . ARG 64 64 53182 1 . LYS 65 65 53182 1 . LEU 66 66 53182 1 . PRO 67 67 53182 1 . PHE 68 68 53182 1 . GLN 69 69 53182 1 . ARG 70 70 53182 1 . LEU 71 71 53182 1 . VAL 72 72 53182 1 . ARG 73 73 53182 1 . GLU 74 74 53182 1 . ILE 75 75 53182 1 . ALA 76 76 53182 1 . GLN 77 77 53182 1 . ASP 78 78 53182 1 . PHE 79 79 53182 1 . LYS 80 80 53182 1 . THR 81 81 53182 1 . ASP 82 82 53182 1 . LEU 83 83 53182 1 . ARG 84 84 53182 1 . PHE 85 85 53182 1 . GLN 86 86 53182 1 . SER 87 87 53182 1 . SER 88 88 53182 1 . ALA 89 89 53182 1 . VAL 90 90 53182 1 . MET 91 91 53182 1 . ALA 92 92 53182 1 . LEU 93 93 53182 1 . GLN 94 94 53182 1 . GLU 95 95 53182 1 . ALA 96 96 53182 1 . CYS 97 97 53182 1 . GLU 98 98 53182 1 . ALA 99 99 53182 1 . TYR 100 100 53182 1 . LEU 101 101 53182 1 . VAL 102 102 53182 1 . GLY 103 103 53182 1 . LEU 104 104 53182 1 . PHE 105 105 53182 1 . GLU 106 106 53182 1 . ASP 107 107 53182 1 . THR 108 108 53182 1 . ASN 109 109 53182 1 . LEU 110 110 53182 1 . CYS 111 111 53182 1 . ALA 112 112 53182 1 . ILE 113 113 53182 1 . HIS 114 114 53182 1 . ALA 115 115 53182 1 . LYS 116 116 53182 1 . ARG 117 117 53182 1 . VAL 118 118 53182 1 . THR 119 119 53182 1 . ILE 120 120 53182 1 . MET 121 121 53182 1 . PRO 122 122 53182 1 . LYS 123 123 53182 1 . ASP 124 124 53182 1 . ILE 125 125 53182 1 . GLN 126 126 53182 1 . LEU 127 127 53182 1 . ALA 128 128 53182 1 . ARG 129 129 53182 1 . ARG 130 130 53182 1 . ILE 131 131 53182 1 . ARG 132 132 53182 1 . GLY 133 133 53182 1 . GLU 134 134 53182 1 . ARG 135 135 53182 1 . ALA 136 136 53182 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 53182 _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 . . . . . . . . . . . . . 53182 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 53182 _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 . . pET22 . . . 53182 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53182 _Sample.ID 1 _Sample.Name 'H3.1 histone 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 'H3 N-tail' '[U-100% 15N]' . . 1 $entity_1 . . 42 . . uM . . . . 53182 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 53182 _Sample_condition_list.ID 1 _Sample_condition_list.Name H4ac_chromatosome _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' 25 . mM 53182 1 pH 6 . pH 53182 1 pressure 1 . atm 53182 1 temperature 298 . K 53182 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53182 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 53182 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53182 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 53182 _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 . . . . . . . . . . . . . . . . . 53182 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 53182 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 53182 1 N 15 DSS 'methyl protons' . . . . ppm 0 external direct 0.101329118 . . . . . 53182 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 53182 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'H3 N-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 1H-15N HSQC' . . . 53182 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 . . 53182 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 3 3 ARG H H 1 8.741 0.030 . 1 . . . . . 2 ARG H . 53182 1 2 . 1 . 1 3 3 ARG N N 15 121.024 0.300 . 1 . . . . . 2 ARG N . 53182 1 3 . 1 . 1 4 4 THR H H 1 8.323 0.030 . 1 . . . . . 3 THR H . 53182 1 4 . 1 . 1 4 4 THR N N 15 116.828 0.300 . 1 . . . . . 3 THR N . 53182 1 5 . 1 . 1 5 5 LYS H H 1 8.477 0.030 . 1 . . . . . 4 LYS H . 53182 1 6 . 1 . 1 5 5 LYS N N 15 124.131 0.300 . 1 . . . . . 4 LYS N . 53182 1 7 . 1 . 1 6 6 GLN H H 1 8.568 0.030 . 1 . . . . . 5 GLN H . 53182 1 8 . 1 . 1 6 6 GLN N N 15 122.332 0.300 . 1 . . . . . 5 GLN N . 53182 1 9 . 1 . 1 7 7 THR H H 1 8.081 0.030 . 1 . . . . . 6 THR H . 53182 1 10 . 1 . 1 7 7 THR N N 15 115.481 0.300 . 1 . . . . . 6 THR N . 53182 1 11 . 1 . 1 8 8 ALA H H 1 8.324 0.030 . 1 . . . . . 7 ALA H . 53182 1 12 . 1 . 1 8 8 ALA N N 15 126.429 0.300 . 1 . . . . . 7 ALA N . 53182 1 13 . 1 . 1 9 9 ARG H H 1 8.245 0.030 . 1 . . . . . 8 ARG H . 53182 1 14 . 1 . 1 9 9 ARG N N 15 120.513 0.300 . 1 . . . . . 8 ARG N . 53182 1 15 . 1 . 1 10 10 LYS H H 1 8.379 0.030 . 1 . . . . . 9 LYS H . 53182 1 16 . 1 . 1 10 10 LYS N N 15 122.922 0.300 . 1 . . . . . 9 LYS N . 53182 1 17 . 1 . 1 11 11 SER H H 1 8.400 0.030 . 1 . . . . . 10 SER H . 53182 1 18 . 1 . 1 11 11 SER N N 15 117.351 0.300 . 1 . . . . . 10 SER N . 53182 1 19 . 1 . 1 12 12 THR H H 1 8.209 0.030 . 1 . . . . . 11 THR H . 53182 1 20 . 1 . 1 12 12 THR N N 15 115.572 0.300 . 1 . . . . . 11 THR N . 53182 1 21 . 1 . 1 13 13 GLY H H 1 8.416 0.030 . 1 . . . . . 12 GLY H . 53182 1 22 . 1 . 1 13 13 GLY N N 15 111.301 0.300 . 1 . . . . . 12 GLY N . 53182 1 23 . 1 . 1 14 14 GLY H H 1 8.262 0.030 . 1 . . . . . 13 GLY H . 53182 1 24 . 1 . 1 14 14 GLY N N 15 109.213 0.300 . 1 . . . . . 13 GLY N . 53182 1 25 . 1 . 1 15 15 LYS H H 1 8.123 0.030 . 1 . . . . . 14 LYS H . 53182 1 26 . 1 . 1 15 15 LYS N N 15 121.138 0.300 . 1 . . . . . 14 LYS N . 53182 1 27 . 1 . 1 16 16 ALA H H 1 8.376 0.030 . 1 . . . . . 15 ALA H . 53182 1 28 . 1 . 1 16 16 ALA N N 15 127.050 0.300 . 1 . . . . . 15 ALA N . 53182 1 29 . 1 . 1 18 18 ARG H H 1 8.426 0.030 . 1 . . . . . 17 ARG H . 53182 1 30 . 1 . 1 18 18 ARG N N 15 121.710 0.300 . 1 . . . . . 17 ARG N . 53182 1 31 . 1 . 1 19 19 LYS H H 1 8.400 0.030 . 1 . . . . . 18 LYS H . 53182 1 32 . 1 . 1 19 19 LYS N N 15 122.856 0.300 . 1 . . . . . 18 LYS N . 53182 1 33 . 1 . 1 20 20 GLN H H 1 8.380 0.030 . 1 . . . . . 19 GLN H . 53182 1 34 . 1 . 1 20 20 GLN N N 15 121.735 0.300 . 1 . . . . . 19 GLN N . 53182 1 35 . 1 . 1 21 21 LEU H H 1 8.258 0.030 . 1 . . . . . 20 LEU H . 53182 1 36 . 1 . 1 21 21 LEU N N 15 123.594 0.300 . 1 . . . . . 20 LEU N . 53182 1 37 . 1 . 1 22 22 ALA H H 1 8.312 0.030 . 1 . . . . . 21 ALA H . 53182 1 38 . 1 . 1 22 22 ALA N N 15 124.585 0.300 . 1 . . . . . 21 ALA N . 53182 1 39 . 1 . 1 23 23 THR H H 1 7.995 0.030 . 1 . . . . . 22 THR H . 53182 1 40 . 1 . 1 23 23 THR N N 15 113.576 0.300 . 1 . . . . . 22 THR N . 53182 1 41 . 1 . 1 24 24 LYS H H 1 8.218 0.030 . 1 . . . . . 23 LYS H . 53182 1 42 . 1 . 1 24 24 LYS N N 15 123.561 0.300 . 1 . . . . . 23 LYS N . 53182 1 43 . 1 . 1 25 25 ALA H H 1 8.203 0.030 . 1 . . . . . 24 ALA H . 53182 1 44 . 1 . 1 25 25 ALA N N 15 124.516 0.300 . 1 . . . . . 24 ALA N . 53182 1 45 . 1 . 1 26 26 ALA H H 1 8.111 0.030 . 1 . . . . . 25 ALA H . 53182 1 46 . 1 . 1 26 26 ALA N N 15 123.063 0.300 . 1 . . . . . 25 ALA N . 53182 1 47 . 1 . 1 27 27 ARG H H 1 8.121 0.030 . 1 . . . . . 26 ARG H . 53182 1 48 . 1 . 1 27 27 ARG N N 15 120.091 0.300 . 1 . . . . . 26 ARG N . 53182 1 49 . 1 . 1 28 28 LYS H H 1 8.240 0.030 . 1 . . . . . 27 LYS H . 53182 1 50 . 1 . 1 28 28 LYS N N 15 122.245 0.300 . 1 . . . . . 27 LYS N . 53182 1 51 . 1 . 1 29 29 SER H H 1 8.152 0.030 . 1 . . . . . 28 SER H . 53182 1 52 . 1 . 1 29 29 SER N N 15 116.812 0.300 . 1 . . . . . 28 SER N . 53182 1 53 . 1 . 1 30 30 ALA H H 1 8.180 0.030 . 1 . . . . . 29 ALA H . 53182 1 54 . 1 . 1 30 30 ALA N N 15 127.130 0.300 . 1 . . . . . 29 ALA N . 53182 1 55 . 1 . 1 32 32 ALA H H 1 8.462 0.030 . 1 . . . . . 31 ALA H . 53182 1 56 . 1 . 1 32 32 ALA N N 15 124.635 0.300 . 1 . . . . . 31 ALA N . 53182 1 57 . 1 . 1 33 33 THR H H 1 8.011 0.030 . 1 . . . . . 32 THR H . 53182 1 58 . 1 . 1 33 33 THR N N 15 112.362 0.300 . 1 . . . . . 32 THR N . 53182 1 59 . 1 . 1 34 34 GLY H H 1 8.322 0.030 . 1 . . . . . 33 GLY H . 53182 1 60 . 1 . 1 34 34 GLY N N 15 111.243 0.300 . 1 . . . . . 33 GLY N . 53182 1 61 . 1 . 1 35 35 GLY H H 1 8.176 0.030 . 1 . . . . . 34 GLY H . 53182 1 62 . 1 . 1 35 35 GLY N N 15 109.181 0.300 . 1 . . . . . 34 GLY N . 53182 1 63 . 1 . 1 36 36 VAL H H 1 8.002 0.030 . 1 . . . . . 35 VAL H . 53182 1 64 . 1 . 1 36 36 VAL N N 15 119.780 0.300 . 1 . . . . . 35 VAL N . 53182 1 65 . 1 . 1 37 37 LYS H H 1 8.302 0.030 . 1 . . . . . 36 LYS H . 53182 1 66 . 1 . 1 37 37 LYS N N 15 126.187 0.300 . 1 . . . . . 36 LYS N . 53182 1 stop_ save_