data_52194 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52194 _Entry.Title ; INCENP-complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-26 _Entry.Accession_date 2023-10-26 _Entry.Last_release_date 2023-10-27 _Entry.Original_release_date 2023-10-27 _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 Kouske Sako . . . . 52194 2 Ayako Furukawa . . . . 52194 3 Ryu-Suke Nozawa . . . . 52194 4 Jun-ichi Kurita . . . . 52194 5 Yoshifumi Nishimura . . . . 52194 6 Toru Hirota . . . . 52194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 24 52194 '1H chemical shifts' 24 52194 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 2 . . 2024-05-27 2023-10-26 update BMRB 'update entry citation' 52194 1 . . 2024-05-20 2023-10-26 original author 'original release' 52194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52192 'INCENP, free form' 52194 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52194 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38781028 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Bipartite binding interface recruiting HP1 to chromosomal passenger complex at inner centromeres ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Cell Biol.' _Citation.Journal_name_full 'The Journal of cell biology' _Citation.Journal_volume 223 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1540-8140 _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 e202312021 _Citation.Page_last e202312021 _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 Kosuke Sako K. . . . 52194 1 2 Ayako Furukawa A. . . . 52194 1 3 Ryu-Suke Nozawa R. S. . . 52194 1 4 Jun-Ichi Kurita J. I. . . 52194 1 5 Yoshifumi Nishimura Y. . . . 52194 1 6 Toru Hirota T. . . . 52194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52194 _Assembly.ID 1 _Assembly.Name INCENP-HP1complex _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 INCENP 1 $entity_1 . . yes native no no . . . 52194 1 2 HP1_CSD 2 $entity_2 . . no native no no . . . 52194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52194 _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 ; HTQCQLVPVVEIGISERQNA EQHVTQLMSTEPL ; _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 33 _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 . HIS . 52194 1 2 . THR . 52194 1 3 . GLN . 52194 1 4 . CYS . 52194 1 5 . GLN . 52194 1 6 . LEU . 52194 1 7 . VAL . 52194 1 8 . PRO . 52194 1 9 . VAL . 52194 1 10 . VAL . 52194 1 11 . GLU . 52194 1 12 . ILE . 52194 1 13 . GLY . 52194 1 14 . ILE . 52194 1 15 . SER . 52194 1 16 . GLU . 52194 1 17 . ARG . 52194 1 18 . GLN . 52194 1 19 . ASN . 52194 1 20 . ALA . 52194 1 21 . GLU . 52194 1 22 . GLN . 52194 1 23 . HIS . 52194 1 24 . VAL . 52194 1 25 . THR . 52194 1 26 . GLN . 52194 1 27 . LEU . 52194 1 28 . MET . 52194 1 29 . SER . 52194 1 30 . THR . 52194 1 31 . GLU . 52194 1 32 . PRO . 52194 1 33 . LEU . 52194 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 . HIS 1 1 52194 1 . THR 2 2 52194 1 . GLN 3 3 52194 1 . CYS 4 4 52194 1 . GLN 5 5 52194 1 . LEU 6 6 52194 1 . VAL 7 7 52194 1 . PRO 8 8 52194 1 . VAL 9 9 52194 1 . VAL 10 10 52194 1 . GLU 11 11 52194 1 . ILE 12 12 52194 1 . GLY 13 13 52194 1 . ILE 14 14 52194 1 . SER 15 15 52194 1 . GLU 16 16 52194 1 . ARG 17 17 52194 1 . GLN 18 18 52194 1 . ASN 19 19 52194 1 . ALA 20 20 52194 1 . GLU 21 21 52194 1 . GLN 22 22 52194 1 . HIS 23 23 52194 1 . VAL 24 24 52194 1 . THR 25 25 52194 1 . GLN 26 26 52194 1 . LEU 27 27 52194 1 . MET 28 28 52194 1 . SER 29 29 52194 1 . THR 30 30 52194 1 . GLU 31 31 52194 1 . PRO 32 32 52194 1 . LEU 33 33 52194 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52194 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NDIARGFERGLEPEKIIGAT DSCGDLMFLMKWKDTDEADL VLAKEANVKCPQIVIAFYEE RLTWHAYPEDAENKEKETAK S ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all reported' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASN . 52194 2 2 . ASP . 52194 2 3 . ILE . 52194 2 4 . ALA . 52194 2 5 . ARG . 52194 2 6 . GLY . 52194 2 7 . PHE . 52194 2 8 . GLU . 52194 2 9 . ARG . 52194 2 10 . GLY . 52194 2 11 . LEU . 52194 2 12 . GLU . 52194 2 13 . PRO . 52194 2 14 . GLU . 52194 2 15 . LYS . 52194 2 16 . ILE . 52194 2 17 . ILE . 52194 2 18 . GLY . 52194 2 19 . ALA . 52194 2 20 . THR . 52194 2 21 . ASP . 52194 2 22 . SER . 52194 2 23 . CYS . 52194 2 24 . GLY . 52194 2 25 . ASP . 52194 2 26 . LEU . 52194 2 27 . MET . 52194 2 28 . PHE . 52194 2 29 . LEU . 52194 2 30 . MET . 52194 2 31 . LYS . 52194 2 32 . TRP . 52194 2 33 . LYS . 52194 2 34 . ASP . 52194 2 35 . THR . 52194 2 36 . ASP . 52194 2 37 . GLU . 52194 2 38 . ALA . 52194 2 39 . ASP . 52194 2 40 . LEU . 52194 2 41 . VAL . 52194 2 42 . LEU . 52194 2 43 . ALA . 52194 2 44 . LYS . 52194 2 45 . GLU . 52194 2 46 . ALA . 52194 2 47 . ASN . 52194 2 48 . VAL . 52194 2 49 . LYS . 52194 2 50 . CYS . 52194 2 51 . PRO . 52194 2 52 . GLN . 52194 2 53 . ILE . 52194 2 54 . VAL . 52194 2 55 . ILE . 52194 2 56 . ALA . 52194 2 57 . PHE . 52194 2 58 . TYR . 52194 2 59 . GLU . 52194 2 60 . GLU . 52194 2 61 . ARG . 52194 2 62 . LEU . 52194 2 63 . THR . 52194 2 64 . TRP . 52194 2 65 . HIS . 52194 2 66 . ALA . 52194 2 67 . TYR . 52194 2 68 . PRO . 52194 2 69 . GLU . 52194 2 70 . ASP . 52194 2 71 . ALA . 52194 2 72 . GLU . 52194 2 73 . ASN . 52194 2 74 . LYS . 52194 2 75 . GLU . 52194 2 76 . LYS . 52194 2 77 . GLU . 52194 2 78 . THR . 52194 2 79 . ALA . 52194 2 80 . LYS . 52194 2 81 . SER . 52194 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASN 1 1 52194 2 . ASP 2 2 52194 2 . ILE 3 3 52194 2 . ALA 4 4 52194 2 . ARG 5 5 52194 2 . GLY 6 6 52194 2 . PHE 7 7 52194 2 . GLU 8 8 52194 2 . ARG 9 9 52194 2 . GLY 10 10 52194 2 . LEU 11 11 52194 2 . GLU 12 12 52194 2 . PRO 13 13 52194 2 . GLU 14 14 52194 2 . LYS 15 15 52194 2 . ILE 16 16 52194 2 . ILE 17 17 52194 2 . GLY 18 18 52194 2 . ALA 19 19 52194 2 . THR 20 20 52194 2 . ASP 21 21 52194 2 . SER 22 22 52194 2 . CYS 23 23 52194 2 . GLY 24 24 52194 2 . ASP 25 25 52194 2 . LEU 26 26 52194 2 . MET 27 27 52194 2 . PHE 28 28 52194 2 . LEU 29 29 52194 2 . MET 30 30 52194 2 . LYS 31 31 52194 2 . TRP 32 32 52194 2 . LYS 33 33 52194 2 . ASP 34 34 52194 2 . THR 35 35 52194 2 . ASP 36 36 52194 2 . GLU 37 37 52194 2 . ALA 38 38 52194 2 . ASP 39 39 52194 2 . LEU 40 40 52194 2 . VAL 41 41 52194 2 . LEU 42 42 52194 2 . ALA 43 43 52194 2 . LYS 44 44 52194 2 . GLU 45 45 52194 2 . ALA 46 46 52194 2 . ASN 47 47 52194 2 . VAL 48 48 52194 2 . LYS 49 49 52194 2 . CYS 50 50 52194 2 . PRO 51 51 52194 2 . GLN 52 52 52194 2 . ILE 53 53 52194 2 . VAL 54 54 52194 2 . ILE 55 55 52194 2 . ALA 56 56 52194 2 . PHE 57 57 52194 2 . TYR 58 58 52194 2 . GLU 59 59 52194 2 . GLU 60 60 52194 2 . ARG 61 61 52194 2 . LEU 62 62 52194 2 . THR 63 63 52194 2 . TRP 64 64 52194 2 . HIS 65 65 52194 2 . ALA 66 66 52194 2 . TYR 67 67 52194 2 . PRO 68 68 52194 2 . GLU 69 69 52194 2 . ASP 70 70 52194 2 . ALA 71 71 52194 2 . GLU 72 72 52194 2 . ASN 73 73 52194 2 . LYS 74 74 52194 2 . GLU 75 75 52194 2 . LYS 76 76 52194 2 . GLU 77 77 52194 2 . THR 78 78 52194 2 . ALA 79 79 52194 2 . LYS 80 80 52194 2 . SER 81 81 52194 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52194 _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 . . . . . . . . . . . . . 52194 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 52194 _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 . . pGEX6p-1 . . . 52194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52194 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 INCENP '[U-13C; U-15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 52194 1 2 HP1_CSD 'natural abundance' . . . . . . 0.15 . . mM . . . . 52194 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52194 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 52194 _Sample_condition_list.ID 1 _Sample_condition_list.Name '_Sample_condition_list.INCENPcomplex' _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' 150 . mM 52194 1 pH 7.0 . pH 52194 1 pressure 1 . atm 52194 1 temperature 298 . K 52194 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52194 _Software.ID 1 _Software.Type . _Software.Name MAGRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52194 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 52194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 52194 _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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52194 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 52194 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference.Reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 52194 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52194 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 52194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list.INCENPcomplex _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' . . . 52194 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 . . 52194 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 GLN H H 1 8.850 0.030 . 1 . . . . . 3 GLN H . 52194 1 2 . 1 . 1 3 3 GLN N N 15 121.856 0.300 . 1 . . . . . 3 GLN N . 52194 1 3 . 1 . 1 4 4 CYS H H 1 8.168 0.030 . 1 . . . . . 4 CYS H . 52194 1 4 . 1 . 1 4 4 CYS N N 15 118.833 0.300 . 1 . . . . . 4 CYS N . 52194 1 5 . 1 . 1 5 5 GLN H H 1 8.492 0.030 . 1 . . . . . 5 GLN H . 52194 1 6 . 1 . 1 5 5 GLN N N 15 121.618 0.300 . 1 . . . . . 5 GLN N . 52194 1 7 . 1 . 1 6 6 LEU H H 1 8.367 0.030 . 1 . . . . . 6 LEU H . 52194 1 8 . 1 . 1 6 6 LEU N N 15 121.365 0.300 . 1 . . . . . 6 LEU N . 52194 1 9 . 1 . 1 7 7 VAL H H 1 9.273 0.030 . 1 . . . . . 7 VAL H . 52194 1 10 . 1 . 1 7 7 VAL N N 15 122.776 0.300 . 1 . . . . . 7 VAL N . 52194 1 11 . 1 . 1 10 10 VAL H H 1 8.605 0.030 . 1 . . . . . 10 VAL H . 52194 1 12 . 1 . 1 10 10 VAL N N 15 118.320 0.300 . 1 . . . . . 10 VAL N . 52194 1 13 . 1 . 1 13 13 GLY H H 1 8.653 0.030 . 1 . . . . . 13 GLY H . 52194 1 14 . 1 . 1 13 13 GLY N N 15 115.823 0.300 . 1 . . . . . 13 GLY N . 52194 1 15 . 1 . 1 14 14 ILE H H 1 8.547 0.030 . 1 . . . . . 14 ILE H . 52194 1 16 . 1 . 1 14 14 ILE N N 15 119.391 0.300 . 1 . . . . . 14 ILE N . 52194 1 17 . 1 . 1 15 15 SER H H 1 8.747 0.030 . 1 . . . . . 15 SER H . 52194 1 18 . 1 . 1 15 15 SER N N 15 116.727 0.300 . 1 . . . . . 15 SER N . 52194 1 19 . 1 . 1 18 18 GLN H H 1 9.043 0.030 . 1 . . . . . 18 GLN H . 52194 1 20 . 1 . 1 18 18 GLN N N 15 119.271 0.300 . 1 . . . . . 18 GLN N . 52194 1 21 . 1 . 1 19 19 ASN H H 1 8.693 0.030 . 1 . . . . . 19 ASN H . 52194 1 22 . 1 . 1 19 19 ASN N N 15 117.169 0.300 . 1 . . . . . 19 ASN N . 52194 1 23 . 1 . 1 20 20 ALA H H 1 7.260 0.030 . 1 . . . . . 20 ALA H . 52194 1 24 . 1 . 1 20 20 ALA N N 15 119.855 0.300 . 1 . . . . . 20 ALA N . 52194 1 25 . 1 . 1 21 21 GLU H H 1 8.928 0.030 . 1 . . . . . 21 GLU H . 52194 1 26 . 1 . 1 21 21 GLU N N 15 118.072 0.300 . 1 . . . . . 21 GLU N . 52194 1 27 . 1 . 1 22 22 GLN H H 1 8.402 0.030 . 1 . . . . . 22 GLN H . 52194 1 28 . 1 . 1 22 22 GLN N N 15 118.782 0.300 . 1 . . . . . 22 GLN N . 52194 1 29 . 1 . 1 23 23 HIS H H 1 7.469 0.030 . 1 . . . . . 23 HIS H . 52194 1 30 . 1 . 1 23 23 HIS N N 15 118.160 0.300 . 1 . . . . . 23 HIS N . 52194 1 31 . 1 . 1 24 24 VAL H H 1 7.835 0.030 . 1 . . . . . 24 VAL H . 52194 1 32 . 1 . 1 24 24 VAL N N 15 120.186 0.300 . 1 . . . . . 24 VAL N . 52194 1 33 . 1 . 1 25 25 THR H H 1 8.173 0.030 . 1 . . . . . 25 THR H . 52194 1 34 . 1 . 1 25 25 THR N N 15 114.192 0.300 . 1 . . . . . 25 THR N . 52194 1 35 . 1 . 1 26 26 GLN H H 1 7.795 0.030 . 1 . . . . . 26 GLN H . 52194 1 36 . 1 . 1 26 26 GLN N N 15 120.726 0.300 . 1 . . . . . 26 GLN N . 52194 1 37 . 1 . 1 27 27 LEU H H 1 7.955 0.030 . 1 . . . . . 27 LEU H . 52194 1 38 . 1 . 1 27 27 LEU N N 15 120.569 0.300 . 1 . . . . . 27 LEU N . 52194 1 39 . 1 . 1 28 28 MET H H 1 8.098 0.030 . 1 . . . . . 28 MET H . 52194 1 40 . 1 . 1 28 28 MET N N 15 118.114 0.300 . 1 . . . . . 28 MET N . 52194 1 41 . 1 . 1 29 29 SER H H 1 7.907 0.030 . 1 . . . . . 29 SER H . 52194 1 42 . 1 . 1 29 29 SER N N 15 115.602 0.300 . 1 . . . . . 29 SER N . 52194 1 43 . 1 . 1 30 30 THR H H 1 8.056 0.030 . 1 . . . . . 30 THR H . 52194 1 44 . 1 . 1 30 30 THR N N 15 115.458 0.300 . 1 . . . . . 30 THR N . 52194 1 45 . 1 . 1 31 31 GLU H H 1 8.240 0.030 . 1 . . . . . 31 GLU H . 52194 1 46 . 1 . 1 31 31 GLU N N 15 124.618 0.300 . 1 . . . . . 31 GLU N . 52194 1 47 . 1 . 1 33 33 LEU H H 1 7.897 0.030 . 1 . . . . . 33 LEU H . 52194 1 48 . 1 . 1 33 33 LEU N N 15 128.520 0.300 . 1 . . . . . 33 LEU N . 52194 1 stop_ save_