data_25023 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25023 _Entry.Title ; 15N HSQC assignment of Drosophila ELF domain from FANCL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-16 _Entry.Accession_date 2014-06-16 _Entry.Last_release_date 2016-07-01 _Entry.Original_release_date 2016-07-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Jennifer Miles . A. . . 25023 2 Ellis Carroll . . . . 25023 3 Michelle Rowe . L. . . 25023 4 Mark Howard . J. . . 25023 5 Ateesh Sihu . . . . 25023 6 Mark Frost . G. . . 25023 7 Richard Williamson . . . . 25023 8 Arno Alpi . F. . . 25023 9 Helen Walden . . . . 25023 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Cancer Research UK' . 25023 2 . 'University of Dundee' . 25023 3 . 'University of Kent' . 25023 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25023 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 74 25023 '1H chemical shifts' 81 25023 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 . . 2016-07-01 . original BMRB . 25023 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25023 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M115.675835 _Citation.PubMed_ID 26149689 _Citation.Full_citation . _Citation.Title ; The Fanconi Anemia DNA Repair Pathway Is Regulated by an Interaction between Ubiquitin and the E2-like Fold Domain of FANCL ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 34 _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 20995 _Citation.Page_last 21006 _Citation.Year 2015 _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 Jennifer Miles . A. . . 25023 1 2 Ellis Carroll . . . . 25023 1 3 Michelle Rowe . L. . . 25023 1 4 Mark Howard . J. . . 25023 1 5 Ateesh Sidhu . . . . 25023 1 6 Mark Frost . G. . . 25023 1 7 Richard Williamson . . . . 25023 1 8 Arno Alpi . F. . . 25023 1 9 Helen Walden . . . . 25023 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25023 _Assembly.ID 1 _Assembly.Name 'Drosophila ELF domain from FANCL' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 ELF 1 $ELF A . yes native no no . . . 25023 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3K1L . . X-ray . . . 25023 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ELF _Entity.Sf_category entity _Entity.Sf_framecode ELF _Entity.Entry_ID 25023 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ELF _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 ; MESNEDVERLLCQKYPGLAA ELQPSGACIIRGVLGSEDTW RRLKLYLPHHPALHGFQLYV QESLEYKLYTSANLKLQDDW LLEDFLDHLPKILPAQKAPT VPKE ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25023 1 2 . GLU . 25023 1 3 . SER . 25023 1 4 . ASN . 25023 1 5 . GLU . 25023 1 6 . ASP . 25023 1 7 . VAL . 25023 1 8 . GLU . 25023 1 9 . ARG . 25023 1 10 . LEU . 25023 1 11 . LEU . 25023 1 12 . CYS . 25023 1 13 . GLN . 25023 1 14 . LYS . 25023 1 15 . TYR . 25023 1 16 . PRO . 25023 1 17 . GLY . 25023 1 18 . LEU . 25023 1 19 . ALA . 25023 1 20 . ALA . 25023 1 21 . GLU . 25023 1 22 . LEU . 25023 1 23 . GLN . 25023 1 24 . PRO . 25023 1 25 . SER . 25023 1 26 . GLY . 25023 1 27 . ALA . 25023 1 28 . CYS . 25023 1 29 . ILE . 25023 1 30 . ILE . 25023 1 31 . ARG . 25023 1 32 . GLY . 25023 1 33 . VAL . 25023 1 34 . LEU . 25023 1 35 . GLY . 25023 1 36 . SER . 25023 1 37 . GLU . 25023 1 38 . ASP . 25023 1 39 . THR . 25023 1 40 . TRP . 25023 1 41 . ARG . 25023 1 42 . ARG . 25023 1 43 . LEU . 25023 1 44 . LYS . 25023 1 45 . LEU . 25023 1 46 . TYR . 25023 1 47 . LEU . 25023 1 48 . PRO . 25023 1 49 . HIS . 25023 1 50 . HIS . 25023 1 51 . PRO . 25023 1 52 . ALA . 25023 1 53 . LEU . 25023 1 54 . HIS . 25023 1 55 . GLY . 25023 1 56 . PHE . 25023 1 57 . GLN . 25023 1 58 . LEU . 25023 1 59 . TYR . 25023 1 60 . VAL . 25023 1 61 . GLN . 25023 1 62 . GLU . 25023 1 63 . SER . 25023 1 64 . LEU . 25023 1 65 . GLU . 25023 1 66 . TYR . 25023 1 67 . LYS . 25023 1 68 . LEU . 25023 1 69 . TYR . 25023 1 70 . THR . 25023 1 71 . SER . 25023 1 72 . ALA . 25023 1 73 . ASN . 25023 1 74 . LEU . 25023 1 75 . LYS . 25023 1 76 . LEU . 25023 1 77 . GLN . 25023 1 78 . ASP . 25023 1 79 . ASP . 25023 1 80 . TRP . 25023 1 81 . LEU . 25023 1 82 . LEU . 25023 1 83 . GLU . 25023 1 84 . ASP . 25023 1 85 . PHE . 25023 1 86 . LEU . 25023 1 87 . ASP . 25023 1 88 . HIS . 25023 1 89 . LEU . 25023 1 90 . PRO . 25023 1 91 . LYS . 25023 1 92 . ILE . 25023 1 93 . LEU . 25023 1 94 . PRO . 25023 1 95 . ALA . 25023 1 96 . GLN . 25023 1 97 . LYS . 25023 1 98 . ALA . 25023 1 99 . PRO . 25023 1 100 . THR . 25023 1 101 . VAL . 25023 1 102 . PRO . 25023 1 103 . LYS . 25023 1 104 . GLU . 25023 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 25023 1 . GLU 2 2 25023 1 . SER 3 3 25023 1 . ASN 4 4 25023 1 . GLU 5 5 25023 1 . ASP 6 6 25023 1 . VAL 7 7 25023 1 . GLU 8 8 25023 1 . ARG 9 9 25023 1 . LEU 10 10 25023 1 . LEU 11 11 25023 1 . CYS 12 12 25023 1 . GLN 13 13 25023 1 . LYS 14 14 25023 1 . TYR 15 15 25023 1 . PRO 16 16 25023 1 . GLY 17 17 25023 1 . LEU 18 18 25023 1 . ALA 19 19 25023 1 . ALA 20 20 25023 1 . GLU 21 21 25023 1 . LEU 22 22 25023 1 . GLN 23 23 25023 1 . PRO 24 24 25023 1 . SER 25 25 25023 1 . GLY 26 26 25023 1 . ALA 27 27 25023 1 . CYS 28 28 25023 1 . ILE 29 29 25023 1 . ILE 30 30 25023 1 . ARG 31 31 25023 1 . GLY 32 32 25023 1 . VAL 33 33 25023 1 . LEU 34 34 25023 1 . GLY 35 35 25023 1 . SER 36 36 25023 1 . GLU 37 37 25023 1 . ASP 38 38 25023 1 . THR 39 39 25023 1 . TRP 40 40 25023 1 . ARG 41 41 25023 1 . ARG 42 42 25023 1 . LEU 43 43 25023 1 . LYS 44 44 25023 1 . LEU 45 45 25023 1 . TYR 46 46 25023 1 . LEU 47 47 25023 1 . PRO 48 48 25023 1 . HIS 49 49 25023 1 . HIS 50 50 25023 1 . PRO 51 51 25023 1 . ALA 52 52 25023 1 . LEU 53 53 25023 1 . HIS 54 54 25023 1 . GLY 55 55 25023 1 . PHE 56 56 25023 1 . GLN 57 57 25023 1 . LEU 58 58 25023 1 . TYR 59 59 25023 1 . VAL 60 60 25023 1 . GLN 61 61 25023 1 . GLU 62 62 25023 1 . SER 63 63 25023 1 . LEU 64 64 25023 1 . GLU 65 65 25023 1 . TYR 66 66 25023 1 . LYS 67 67 25023 1 . LEU 68 68 25023 1 . TYR 69 69 25023 1 . THR 70 70 25023 1 . SER 71 71 25023 1 . ALA 72 72 25023 1 . ASN 73 73 25023 1 . LEU 74 74 25023 1 . LYS 75 75 25023 1 . LEU 76 76 25023 1 . GLN 77 77 25023 1 . ASP 78 78 25023 1 . ASP 79 79 25023 1 . TRP 80 80 25023 1 . LEU 81 81 25023 1 . LEU 82 82 25023 1 . GLU 83 83 25023 1 . ASP 84 84 25023 1 . PHE 85 85 25023 1 . LEU 86 86 25023 1 . ASP 87 87 25023 1 . HIS 88 88 25023 1 . LEU 89 89 25023 1 . PRO 90 90 25023 1 . LYS 91 91 25023 1 . ILE 92 92 25023 1 . LEU 93 93 25023 1 . PRO 94 94 25023 1 . ALA 95 95 25023 1 . GLN 96 96 25023 1 . LYS 97 97 25023 1 . ALA 98 98 25023 1 . PRO 99 99 25023 1 . THR 100 100 25023 1 . VAL 101 101 25023 1 . PRO 102 102 25023 1 . LYS 103 103 25023 1 . GLU 104 104 25023 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25023 _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 $ELF . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 25023 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25023 _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 $ELF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pet28a SUMO' . . . 25023 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25023 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ELF '[U-99% 15N]' . . 1 $ELF . . 0.6 . . mM . . . . 25023 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 25023 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 25023 1 pH 6.5 . pH 25023 1 pressure 1 . atm 25023 1 temperature 273 . K 25023 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25023 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25023 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25023 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25023 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25023 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 600 . . . 25023 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25023 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25023 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25023 _Chem_shift_reference.ID 1 _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 0.00 internal direct 1.000000000 . . . . . 25023 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25023 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25023 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 25023 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 SER H H 1 8.6243 . . 1 . . . . 3 SER HN . 25023 1 2 . 1 1 3 3 SER HA H 1 4.5101 . . 1 . . . . 3 SER HA . 25023 1 3 . 1 1 3 3 SER HB2 H 1 4.0057 . . 2 . . . . 3 SER HB1 . 25023 1 4 . 1 1 3 3 SER HB3 H 1 3.9083 . . 2 . . . . 3 SER HB2 . 25023 1 5 . 1 1 3 3 SER N N 15 116.7072 . . 1 . . . . 3 SER N . 25023 1 6 . 1 1 4 4 ASN H H 1 8.7600 . . 1 . . . . 4 ASN HN . 25023 1 7 . 1 1 4 4 ASN N N 15 121.2234 . . 1 . . . . 4 ASN N . 25023 1 8 . 1 1 5 5 GLU H H 1 8.3998 . . 1 . . . . 5 GLU HN . 25023 1 9 . 1 1 5 5 GLU N N 15 120.3710 . . 1 . . . . 5 GLU N . 25023 1 10 . 1 1 6 6 ASP H H 1 8.2838 . . 1 . . . . 6 ASP HN . 25023 1 11 . 1 1 6 6 ASP N N 15 120.8716 . . 1 . . . . 6 ASP N . 25023 1 12 . 1 1 7 7 VAL H H 1 8.2039 . . 1 . . . . 7 VAL HN . 25023 1 13 . 1 1 7 7 VAL N N 15 122.5982 . . 1 . . . . 7 VAL N . 25023 1 14 . 1 1 8 8 GLU H H 1 8.1680 . . 1 . . . . 8 GLU HN . 25023 1 15 . 1 1 8 8 GLU N N 15 119.9597 . . 1 . . . . 8 GLU N . 25023 1 16 . 1 1 9 9 ARG H H 1 7.9757 . . 1 . . . . 9 ARG HN . 25023 1 17 . 1 1 9 9 ARG N N 15 119.4286 . . 1 . . . . 9 ARG N . 25023 1 18 . 1 1 10 10 LEU H H 1 7.7201 . . 1 . . . . 10 LEU HN . 25023 1 19 . 1 1 10 10 LEU N N 15 120.4876 . . 1 . . . . 10 LEU N . 25023 1 20 . 1 1 11 11 LEU H H 1 8.2610 . . 1 . . . . 11 LEU HN . 25023 1 21 . 1 1 11 11 LEU N N 15 117.4404 . . 1 . . . . 11 LEU N . 25023 1 22 . 1 1 12 12 CYS H H 1 8.0259 . . 1 . . . . 12 CYS HN . 25023 1 23 . 1 1 12 12 CYS N N 15 114.8286 . . 1 . . . . 12 CYS N . 25023 1 24 . 1 1 13 13 GLN H H 1 7.7875 . . 1 . . . . 13 GLN HN . 25023 1 25 . 1 1 13 13 GLN N N 15 115.9983 . . 1 . . . . 13 GLN N . 25023 1 26 . 1 1 17 17 GLY H H 1 8.8294 . . 1 . . . . 17 GLY HN . 25023 1 27 . 1 1 17 17 GLY HA2 H 1 4.1625 . . 2 . . . . 17 GLY HA1 . 25023 1 28 . 1 1 17 17 GLY HA3 H 1 3.9409 . . 2 . . . . 17 GLY HA2 . 25023 1 29 . 1 1 17 17 GLY N N 15 107.7873 . . 1 . . . . 17 GLY N . 25023 1 30 . 1 1 19 19 ALA H H 1 8.5284 . . 1 . . . . 19 ALA HN . 25023 1 31 . 1 1 19 19 ALA N N 15 121.5781 . . 1 . . . . 19 ALA N . 25023 1 32 . 1 1 20 20 ALA H H 1 9.0988 . . 1 . . . . 20 ALA HN . 25023 1 33 . 1 1 20 20 ALA N N 15 123.6984 . . 1 . . . . 20 ALA N . 25023 1 34 . 1 1 21 21 GLU H H 1 9.0722 . . 1 . . . . 21 GLU HN . 25023 1 35 . 1 1 21 21 GLU N N 15 122.9007 . . 1 . . . . 21 GLU N . 25023 1 36 . 1 1 22 22 LEU H H 1 9.0025 . . 1 . . . . 22 LEU HN . 25023 1 37 . 1 1 22 22 LEU N N 15 130.0489 . . 1 . . . . 22 LEU N . 25023 1 38 . 1 1 23 23 GLN H H 1 8.7238 . . 1 . . . . 23 GLN HN . 25023 1 39 . 1 1 23 23 GLN N N 15 122.2125 . . 1 . . . . 23 GLN N . 25023 1 40 . 1 1 25 25 SER H H 1 7.6875 . . 1 . . . . 25 SER HN . 25023 1 41 . 1 1 25 25 SER N N 15 109.2497 . . 1 . . . . 25 SER N . 25023 1 42 . 1 1 26 26 GLY H H 1 8.3482 . . 1 . . . . 26 GLY HN . 25023 1 43 . 1 1 26 26 GLY N N 15 111.4144 . . 1 . . . . 26 GLY N . 25023 1 44 . 1 1 27 27 ALA H H 1 7.3152 . . 1 . . . . 27 ALA HN . 25023 1 45 . 1 1 27 27 ALA N N 15 120.1839 . . 1 . . . . 27 ALA N . 25023 1 46 . 1 1 28 28 CYS H H 1 7.8025 . . 1 . . . . 28 CYS HN . 25023 1 47 . 1 1 28 28 CYS N N 15 118.2426 . . 1 . . . . 28 CYS N . 25023 1 48 . 1 1 29 29 ILE H H 1 8.7023 . . 1 . . . . 29 ILE HN . 25023 1 49 . 1 1 29 29 ILE N N 15 125.0980 . . 1 . . . . 29 ILE N . 25023 1 50 . 1 1 32 32 GLY H H 1 8.1927 . . 1 . . . . 32 GLY HN . 25023 1 51 . 1 1 32 32 GLY N N 15 108.3848 . . 1 . . . . 32 GLY N . 25023 1 52 . 1 1 33 33 VAL H H 1 7.7425 . . 1 . . . . 33 VAL HN . 25023 1 53 . 1 1 33 33 VAL N N 15 118.0673 . . 1 . . . . 33 VAL N . 25023 1 54 . 1 1 34 34 LEU H H 1 8.7460 . . 1 . . . . 34 LEU HN . 25023 1 55 . 1 1 34 34 LEU N N 15 124.6163 . . 1 . . . . 34 LEU N . 25023 1 56 . 1 1 35 35 GLY H H 1 8.5968 . . 1 . . . . 35 GLY HN . 25023 1 57 . 1 1 35 35 GLY HA2 H 1 4.0174 . . 2 . . . . 35 GLY HA1 . 25023 1 58 . 1 1 35 35 GLY HA3 H 1 3.8343 . . 2 . . . . 35 GLY HA2 . 25023 1 59 . 1 1 35 35 GLY N N 15 114.1415 . . 1 . . . . 35 GLY N . 25023 1 60 . 1 1 36 36 SER H H 1 7.7654 . . 1 . . . . 36 SER HN . 25023 1 61 . 1 1 36 36 SER N N 15 113.9360 . . 1 . . . . 36 SER N . 25023 1 62 . 1 1 37 37 GLU H H 1 8.9805 . . 1 . . . . 37 GLU HN . 25023 1 63 . 1 1 37 37 GLU N N 15 120.3998 . . 1 . . . . 37 GLU N . 25023 1 64 . 1 1 38 38 ASP H H 1 8.4479 . . 1 . . . . 38 ASP HN . 25023 1 65 . 1 1 38 38 ASP N N 15 118.2392 . . 1 . . . . 38 ASP N . 25023 1 66 . 1 1 39 39 THR H H 1 7.9410 . . 1 . . . . 39 THR HN . 25023 1 67 . 1 1 39 39 THR N N 15 113.5651 . . 1 . . . . 39 THR N . 25023 1 68 . 1 1 40 40 TRP H H 1 8.0191 . . 1 . . . . 40 TRP HN . 25023 1 69 . 1 1 40 40 TRP N N 15 123.5091 . . 1 . . . . 40 TRP N . 25023 1 70 . 1 1 41 41 ARG H H 1 8.6429 . . 1 . . . . 41 ARG HN . 25023 1 71 . 1 1 41 41 ARG N N 15 127.7941 . . 1 . . . . 41 ARG N . 25023 1 72 . 1 1 42 42 ARG H H 1 9.5292 . . 1 . . . . 42 ARG HN . 25023 1 73 . 1 1 42 42 ARG N N 15 129.3446 . . 1 . . . . 42 ARG N . 25023 1 74 . 1 1 43 43 LEU H H 1 8.9080 . . 1 . . . . 43 LEU HN . 25023 1 75 . 1 1 43 43 LEU N N 15 123.8753 . . 1 . . . . 43 LEU N . 25023 1 76 . 1 1 52 52 ALA H H 1 8.3917 . . 1 . . . . 52 ALA HN . 25023 1 77 . 1 1 52 52 ALA N N 15 128.3591 . . 1 . . . . 52 ALA N . 25023 1 78 . 1 1 53 53 LEU H H 1 8.5561 . . 1 . . . . 53 LEU HN . 25023 1 79 . 1 1 53 53 LEU N N 15 117.3777 . . 1 . . . . 53 LEU N . 25023 1 80 . 1 1 54 54 HIS H H 1 7.1077 . . 1 . . . . 54 HIS HN . 25023 1 81 . 1 1 54 54 HIS N N 15 115.6167 . . 1 . . . . 54 HIS N . 25023 1 82 . 1 1 55 55 GLY H H 1 9.4243 . . 1 . . . . 55 GLY HN . 25023 1 83 . 1 1 55 55 GLY N N 15 112.6231 . . 1 . . . . 55 GLY N . 25023 1 84 . 1 1 56 56 PHE N N 15 116.3871 . . 1 . . . . 56 PHE N . 25023 1 85 . 1 1 57 57 GLN H H 1 8.7260 . . 1 . . . . 57 GLN HN . 25023 1 86 . 1 1 57 57 GLN N N 15 117.4346 . . 1 . . . . 57 GLN N . 25023 1 87 . 1 1 58 58 LEU H H 1 9.3310 . . 1 . . . . 58 LEU HN . 25023 1 88 . 1 1 58 58 LEU N N 15 126.8923 . . 1 . . . . 58 LEU N . 25023 1 89 . 1 1 59 59 TYR H H 1 9.9369 . . 1 . . . . 59 TYR HN . 25023 1 90 . 1 1 59 59 TYR N N 15 127.4224 . . 1 . . . . 59 TYR N . 25023 1 91 . 1 1 60 60 VAL H H 1 9.4336 . . 1 . . . . 60 VAL HN . 25023 1 92 . 1 1 60 60 VAL N N 15 122.6276 . . 1 . . . . 60 VAL N . 25023 1 93 . 1 1 61 61 GLN H H 1 8.9017 . . 1 . . . . 61 GLN HN . 25023 1 94 . 1 1 61 61 GLN N N 15 129.5142 . . 1 . . . . 61 GLN N . 25023 1 95 . 1 1 62 62 GLU H H 1 8.7261 . . 1 . . . . 62 GLU HN . 25023 1 96 . 1 1 62 62 GLU N N 15 130.0167 . . 1 . . . . 62 GLU N . 25023 1 97 . 1 1 63 63 SER H H 1 8.8288 . . 1 . . . . 63 SER HN . 25023 1 98 . 1 1 63 63 SER N N 15 118.7002 . . 1 . . . . 63 SER N . 25023 1 99 . 1 1 64 64 LEU H H 1 8.3068 . . 1 . . . . 64 LEU HN . 25023 1 100 . 1 1 64 64 LEU N N 15 119.6291 . . 1 . . . . 64 LEU N . 25023 1 101 . 1 1 65 65 GLU H H 1 7.8845 . . 1 . . . . 65 GLU HN . 25023 1 102 . 1 1 65 65 GLU N N 15 118.6953 . . 1 . . . . 65 GLU N . 25023 1 103 . 1 1 66 66 TYR H H 1 8.8954 . . 1 . . . . 66 TYR HN . 25023 1 104 . 1 1 66 66 TYR N N 15 120.4057 . . 1 . . . . 66 TYR N . 25023 1 105 . 1 1 67 67 LYS H H 1 8.2930 . . 1 . . . . 67 LYS HN . 25023 1 106 . 1 1 67 67 LYS N N 15 114.3009 . . 1 . . . . 67 LYS N . 25023 1 107 . 1 1 71 71 SER H H 1 8.8223 . . 1 . . . . 71 SER HN . 25023 1 108 . 1 1 71 71 SER N N 15 115.2197 . . 1 . . . . 71 SER N . 25023 1 109 . 1 1 72 72 ALA H H 1 7.9005 . . 1 . . . . 72 ALA HN . 25023 1 110 . 1 1 72 72 ALA N N 15 121.9788 . . 1 . . . . 72 ALA N . 25023 1 111 . 1 1 73 73 ASN H H 1 8.0321 . . 1 . . . . 73 ASN HN . 25023 1 112 . 1 1 73 73 ASN N N 15 113.6658 . . 1 . . . . 73 ASN N . 25023 1 113 . 1 1 74 74 LEU H H 1 7.9644 . . 1 . . . . 74 LEU HN . 25023 1 114 . 1 1 74 74 LEU N N 15 122.3536 . . 1 . . . . 74 LEU N . 25023 1 115 . 1 1 75 75 LYS H H 1 8.2658 . . 1 . . . . 75 LYS HN . 25023 1 116 . 1 1 75 75 LYS N N 15 124.7409 . . 1 . . . . 75 LYS N . 25023 1 117 . 1 1 76 76 LEU H H 1 8.1885 . . 1 . . . . 76 LEU HN . 25023 1 118 . 1 1 76 76 LEU N N 15 125.3478 . . 1 . . . . 76 LEU N . 25023 1 119 . 1 1 78 78 ASP H H 1 9.7372 . . 1 . . . . 78 ASP HN . 25023 1 120 . 1 1 78 78 ASP N N 15 128.2946 . . 1 . . . . 78 ASP N . 25023 1 121 . 1 1 79 79 ASP H H 1 8.2548 . . 1 . . . . 79 ASP HN . 25023 1 122 . 1 1 79 79 ASP N N 15 121.8088 . . 1 . . . . 79 ASP N . 25023 1 123 . 1 1 81 81 LEU H H 1 9.3337 . . 1 . . . . 81 LEU HN . 25023 1 124 . 1 1 81 81 LEU N N 15 123.0743 . . 1 . . . . 81 LEU N . 25023 1 125 . 1 1 82 82 LEU H H 1 8.9703 . . 1 . . . . 82 LEU HN . 25023 1 126 . 1 1 82 82 LEU N N 15 123.0312 . . 1 . . . . 82 LEU N . 25023 1 127 . 1 1 83 83 GLU H H 1 9.1270 . . 1 . . . . 83 GLU HN . 25023 1 128 . 1 1 83 83 GLU N N 15 116.4681 . . 1 . . . . 83 GLU N . 25023 1 129 . 1 1 84 84 ASP H H 1 6.7435 . . 1 . . . . 84 ASP HN . 25023 1 130 . 1 1 84 84 ASP N N 15 114.2350 . . 1 . . . . 84 ASP N . 25023 1 131 . 1 1 85 85 PHE H H 1 8.0459 . . 1 . . . . 85 PHE HN . 25023 1 132 . 1 1 85 85 PHE N N 15 120.0896 . . 1 . . . . 85 PHE N . 25023 1 133 . 1 1 91 91 LYS H H 1 7.5504 . . 1 . . . . 91 LYS HN . 25023 1 134 . 1 1 91 91 LYS N N 15 112.6414 . . 1 . . . . 91 LYS N . 25023 1 135 . 1 1 92 92 ILE H H 1 7.6173 . . 1 . . . . 92 ILE HN . 25023 1 136 . 1 1 92 92 ILE N N 15 112.3149 . . 1 . . . . 92 ILE N . 25023 1 137 . 1 1 93 93 LEU H H 1 7.3540 . . 1 . . . . 93 LEU HN . 25023 1 138 . 1 1 93 93 LEU N N 15 123.1941 . . 1 . . . . 93 LEU N . 25023 1 139 . 1 1 95 95 ALA H H 1 8.4397 . . 1 . . . . 95 ALA HN . 25023 1 140 . 1 1 95 95 ALA HA H 1 4.2380 . . 1 . . . . 95 ALA HA . 25023 1 141 . 1 1 95 95 ALA N N 15 125.1595 . . 1 . . . . 95 ALA N . 25023 1 142 . 1 1 96 96 GLN H H 1 8.5236 . . 1 . . . . 96 GLN HN . 25023 1 143 . 1 1 96 96 GLN N N 15 120.7652 . . 1 . . . . 96 GLN N . 25023 1 144 . 1 1 97 97 LYS H H 1 8.4331 . . 1 . . . . 97 LYS HN . 25023 1 145 . 1 1 97 97 LYS N N 15 123.5538 . . 1 . . . . 97 LYS N . 25023 1 146 . 1 1 98 98 ALA H H 1 8.3921 . . 1 . . . . 98 ALA HN . 25023 1 147 . 1 1 98 98 ALA N N 15 127.2371 . . 1 . . . . 98 ALA N . 25023 1 148 . 1 1 100 100 THR H H 1 8.2736 . . 1 . . . . 100 THR HN . 25023 1 149 . 1 1 100 100 THR N N 15 115.3861 . . 1 . . . . 100 THR N . 25023 1 150 . 1 1 101 101 VAL H H 1 8.1680 . . 1 . . . . 101 VAL HN . 25023 1 151 . 1 1 101 101 VAL N N 15 124.1955 . . 1 . . . . 101 VAL N . 25023 1 152 . 1 1 103 103 LYS H H 1 8.3846 . . 1 . . . . 103 LYS HN . 25023 1 153 . 1 1 103 103 LYS N N 15 122.3772 . . 1 . . . . 103 LYS N . 25023 1 154 . 1 1 104 104 GLU H H 1 7.9767 . . 1 . . . . 104 GLU HN . 25023 1 155 . 1 1 104 104 GLU N N 15 127.3056 . . 1 . . . . 104 GLU N . 25023 1 stop_ save_