data_50466 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50466 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for NEDD8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-12 _Entry.Accession_date 2020-09-12 _Entry.Last_release_date 2020-09-14 _Entry.Original_release_date 2020-09-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Katrin Stuber . . . . 50466 2 Tobias Schneider . . . . 50466 3 Jill Werner . . . . 50466 4 Michael Kovermann . . . . 50466 5 Andreas Marx . . . . 50466 6 Martin Scheffner . . . . 50466 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50466 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 71 50466 '1H chemical shifts' 71 50466 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 . . 2021-12-09 2020-09-12 update BMRB 'update entry citation' 50466 1 . . 2021-08-24 2020-09-12 original author 'original release' 50466 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50467 'Relaxed State of S65-phosphorylated NEDD8' 50466 BMRB 50468 'Retracted State of S65-phosphorylated NEDD8' 50466 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50466 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34642328 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and functional consequences of NEDD8 phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 5939 _Citation.Page_last 5939 _Citation.Year 2021 _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 Katrin Stuber . . . . 50466 1 2 Tobias Schneider . . . . 50466 1 3 Jill Werner . . . . 50466 1 4 Michael Kovermann . . . . 50466 1 5 Andreas Marx . . . . 50466 1 6 Martin Scheffner . . . . 50466 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50466 _Assembly.ID 1 _Assembly.Name NEDD8 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NEDD8 1 $entity_1 . . yes native no no . . . 50466 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50466 _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 ; MLIKVKTLTGKEIEIDIEPT DKVERIKERVEEKEGIPPQQ QRLIYSGKQMNDEKTAADYK ILGGSVLHLVLALRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50466 1 2 . LEU . 50466 1 3 . ILE . 50466 1 4 . LYS . 50466 1 5 . VAL . 50466 1 6 . LYS . 50466 1 7 . THR . 50466 1 8 . LEU . 50466 1 9 . THR . 50466 1 10 . GLY . 50466 1 11 . LYS . 50466 1 12 . GLU . 50466 1 13 . ILE . 50466 1 14 . GLU . 50466 1 15 . ILE . 50466 1 16 . ASP . 50466 1 17 . ILE . 50466 1 18 . GLU . 50466 1 19 . PRO . 50466 1 20 . THR . 50466 1 21 . ASP . 50466 1 22 . LYS . 50466 1 23 . VAL . 50466 1 24 . GLU . 50466 1 25 . ARG . 50466 1 26 . ILE . 50466 1 27 . LYS . 50466 1 28 . GLU . 50466 1 29 . ARG . 50466 1 30 . VAL . 50466 1 31 . GLU . 50466 1 32 . GLU . 50466 1 33 . LYS . 50466 1 34 . GLU . 50466 1 35 . GLY . 50466 1 36 . ILE . 50466 1 37 . PRO . 50466 1 38 . PRO . 50466 1 39 . GLN . 50466 1 40 . GLN . 50466 1 41 . GLN . 50466 1 42 . ARG . 50466 1 43 . LEU . 50466 1 44 . ILE . 50466 1 45 . TYR . 50466 1 46 . SER . 50466 1 47 . GLY . 50466 1 48 . LYS . 50466 1 49 . GLN . 50466 1 50 . MET . 50466 1 51 . ASN . 50466 1 52 . ASP . 50466 1 53 . GLU . 50466 1 54 . LYS . 50466 1 55 . THR . 50466 1 56 . ALA . 50466 1 57 . ALA . 50466 1 58 . ASP . 50466 1 59 . TYR . 50466 1 60 . LYS . 50466 1 61 . ILE . 50466 1 62 . LEU . 50466 1 63 . GLY . 50466 1 64 . GLY . 50466 1 65 . SER . 50466 1 66 . VAL . 50466 1 67 . LEU . 50466 1 68 . HIS . 50466 1 69 . LEU . 50466 1 70 . VAL . 50466 1 71 . LEU . 50466 1 72 . ALA . 50466 1 73 . LEU . 50466 1 74 . ARG . 50466 1 75 . GLY . 50466 1 76 . GLY . 50466 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 50466 1 . LEU 2 2 50466 1 . ILE 3 3 50466 1 . LYS 4 4 50466 1 . VAL 5 5 50466 1 . LYS 6 6 50466 1 . THR 7 7 50466 1 . LEU 8 8 50466 1 . THR 9 9 50466 1 . GLY 10 10 50466 1 . LYS 11 11 50466 1 . GLU 12 12 50466 1 . ILE 13 13 50466 1 . GLU 14 14 50466 1 . ILE 15 15 50466 1 . ASP 16 16 50466 1 . ILE 17 17 50466 1 . GLU 18 18 50466 1 . PRO 19 19 50466 1 . THR 20 20 50466 1 . ASP 21 21 50466 1 . LYS 22 22 50466 1 . VAL 23 23 50466 1 . GLU 24 24 50466 1 . ARG 25 25 50466 1 . ILE 26 26 50466 1 . LYS 27 27 50466 1 . GLU 28 28 50466 1 . ARG 29 29 50466 1 . VAL 30 30 50466 1 . GLU 31 31 50466 1 . GLU 32 32 50466 1 . LYS 33 33 50466 1 . GLU 34 34 50466 1 . GLY 35 35 50466 1 . ILE 36 36 50466 1 . PRO 37 37 50466 1 . PRO 38 38 50466 1 . GLN 39 39 50466 1 . GLN 40 40 50466 1 . GLN 41 41 50466 1 . ARG 42 42 50466 1 . LEU 43 43 50466 1 . ILE 44 44 50466 1 . TYR 45 45 50466 1 . SER 46 46 50466 1 . GLY 47 47 50466 1 . LYS 48 48 50466 1 . GLN 49 49 50466 1 . MET 50 50 50466 1 . ASN 51 51 50466 1 . ASP 52 52 50466 1 . GLU 53 53 50466 1 . LYS 54 54 50466 1 . THR 55 55 50466 1 . ALA 56 56 50466 1 . ALA 57 57 50466 1 . ASP 58 58 50466 1 . TYR 59 59 50466 1 . LYS 60 60 50466 1 . ILE 61 61 50466 1 . LEU 62 62 50466 1 . GLY 63 63 50466 1 . GLY 64 64 50466 1 . SER 65 65 50466 1 . VAL 66 66 50466 1 . LEU 67 67 50466 1 . HIS 68 68 50466 1 . LEU 69 69 50466 1 . VAL 70 70 50466 1 . LEU 71 71 50466 1 . ALA 72 72 50466 1 . LEU 73 73 50466 1 . ARG 74 74 50466 1 . GLY 75 75 50466 1 . GLY 76 76 50466 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 50466 _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 . . . . . . . . . . . . . 50466 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 50466 _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 BL21(DE3) . . plasmid . . 'pKS NEDD8-His6' . . . 50466 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50466 _Sample.ID 1 _Sample.Name NEDD8 _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 NEDD8 [U-15N] . . 1 $entity_1 . . 260 . . uM . . . . 50466 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50466 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50466 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 50466 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'assignment of chemical shifts' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 50466 1 temperature 298 . K 50466 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50466 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50466 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50466 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50466 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50466 _Software.ID 3 _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 assignment' . 50466 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50466 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name klaus800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50466 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50466 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50466 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50466 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 50466 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'assignment of chemical shifts' _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 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50466 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 50466 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone 1H and 15N Chemical Shift Assignments for NEDD8' _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' . . . 50466 1 2 '3D 1H-15N NOESY' . . . 50466 1 3 '3D 1H-15N TOCSY' . . . 50466 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 3 $software_3 . . 50466 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 LEU H H 1 8.80571 . . 1 . . . . . 2 LEU H . 50466 1 2 . 1 . 1 2 2 LEU N N 15 128.05186 . . 1 . . . . . 2 LEU N . 50466 1 3 . 1 . 1 3 3 ILE H H 1 8.95823 . . 1 . . . . . 3 ILE H . 50466 1 4 . 1 . 1 3 3 ILE N N 15 120.58243 . . 1 . . . . . 3 ILE N . 50466 1 5 . 1 . 1 4 4 LYS H H 1 8.44980 . . 1 . . . . . 4 LYS H . 50466 1 6 . 1 . 1 4 4 LYS N N 15 118.38564 . . 1 . . . . . 4 LYS N . 50466 1 7 . 1 . 1 5 5 VAL H H 1 8.94551 . . 1 . . . . . 5 VAL H . 50466 1 8 . 1 . 1 5 5 VAL N N 15 121.54906 . . 1 . . . . . 5 VAL N . 50466 1 9 . 1 . 1 6 6 LYS H H 1 9.03448 . . 1 . . . . . 6 LYS H . 50466 1 10 . 1 . 1 6 6 LYS N N 15 128.31543 . . 1 . . . . . 6 LYS N . 50466 1 11 . 1 . 1 7 7 THR H H 1 8.74213 . . 1 . . . . . 7 THR H . 50466 1 12 . 1 . 1 7 7 THR N N 15 116.62805 . . 1 . . . . . 7 THR N . 50466 1 13 . 1 . 1 8 8 LEU H H 1 8.99637 . . 1 . . . . . 8 LEU H . 50466 1 14 . 1 . 1 8 8 LEU N N 15 121.10946 . . 1 . . . . . 8 LEU N . 50466 1 15 . 1 . 1 9 9 THR H H 1 7.57276 . . 1 . . . . . 9 THR H . 50466 1 16 . 1 . 1 9 9 THR N N 15 105.99506 . . 1 . . . . . 9 THR N . 50466 1 17 . 1 . 1 10 10 GLY H H 1 7.82697 . . 1 . . . . . 10 GLY H . 50466 1 18 . 1 . 1 10 10 GLY N N 15 109.77385 . . 1 . . . . . 10 GLY N . 50466 1 19 . 1 . 1 11 11 LYS H H 1 7.12789 . . 1 . . . . . 11 LYS H . 50466 1 20 . 1 . 1 11 11 LYS N N 15 121.98837 . . 1 . . . . . 11 LYS N . 50466 1 21 . 1 . 1 12 12 GLU H H 1 8.53877 . . 1 . . . . . 12 GLU H . 50466 1 22 . 1 . 1 12 12 GLU N N 15 124.18543 . . 1 . . . . . 12 GLU N . 50466 1 23 . 1 . 1 13 13 ILE H H 1 9.09804 . . 1 . . . . . 13 ILE H . 50466 1 24 . 1 . 1 13 13 ILE N N 15 124.27309 . . 1 . . . . . 13 ILE N . 50466 1 25 . 1 . 1 14 14 GLU H H 1 8.60233 . . 1 . . . . . 14 GLU H . 50466 1 26 . 1 . 1 14 14 GLU N N 15 126.11859 . . 1 . . . . . 14 GLU N . 50466 1 27 . 1 . 1 15 15 ILE H H 1 8.53876 . . 1 . . . . . 15 ILE H . 50466 1 28 . 1 . 1 15 15 ILE N N 15 121.46118 . . 1 . . . . . 15 ILE N . 50466 1 29 . 1 . 1 16 16 ASP H H 1 8.22102 . . 1 . . . . . 16 ASP H . 50466 1 30 . 1 . 1 16 16 ASP N N 15 124.80059 . . 1 . . . . . 16 ASP N . 50466 1 31 . 1 . 1 17 17 ILE H H 1 8.66588 . . 1 . . . . . 17 ILE H . 50466 1 32 . 1 . 1 17 17 ILE N N 15 117.77040 . . 1 . . . . . 17 ILE N . 50466 1 33 . 1 . 1 18 18 GLU H H 1 8.57689 . . 1 . . . . . 18 GLU H . 50466 1 34 . 1 . 1 18 18 GLU N N 15 120.49456 . . 1 . . . . . 18 GLU N . 50466 1 35 . 1 . 1 20 20 THR H H 1 6.64486 . . 1 . . . . . 20 THR H . 50466 1 36 . 1 . 1 20 20 THR N N 15 98.43773 . . 1 . . . . . 20 THR N . 50466 1 37 . 1 . 1 21 21 ASP H H 1 7.75070 . . 1 . . . . . 21 ASP H . 50466 1 38 . 1 . 1 21 21 ASP N N 15 123.04293 . . 1 . . . . . 21 ASP N . 50466 1 39 . 1 . 1 22 22 LYS H H 1 8.48790 . . 1 . . . . . 22 LYS H . 50466 1 40 . 1 . 1 22 22 LYS N N 15 119.26429 . . 1 . . . . . 22 LYS N . 50466 1 41 . 1 . 1 23 23 VAL H H 1 9.14890 . . 1 . . . . . 23 VAL H . 50466 1 42 . 1 . 1 23 23 VAL N N 15 125.50347 . . 1 . . . . . 23 VAL N . 50466 1 43 . 1 . 1 24 24 GLU H H 1 8.48792 . . 1 . . . . . 24 GLU H . 50466 1 44 . 1 . 1 24 24 GLU N N 15 117.94617 . . 1 . . . . . 24 GLU N . 50466 1 45 . 1 . 1 25 25 ARG H H 1 7.38208 . . 1 . . . . . 25 ARG H . 50466 1 46 . 1 . 1 25 25 ARG N N 15 119.17635 . . 1 . . . . . 25 ARG N . 50466 1 47 . 1 . 1 26 26 ILE H H 1 7.75069 . . 1 . . . . . 26 ILE H . 50466 1 48 . 1 . 1 26 26 ILE N N 15 120.31881 . . 1 . . . . . 26 ILE N . 50466 1 49 . 1 . 1 27 27 LYS H H 1 7.61088 . . 1 . . . . . 27 LYS H . 50466 1 50 . 1 . 1 27 27 LYS N N 15 116.62793 . . 1 . . . . . 27 LYS N . 50466 1 51 . 1 . 1 28 28 GLU H H 1 7.66171 . . 1 . . . . . 28 GLU H . 50466 1 52 . 1 . 1 28 28 GLU N N 15 120.84596 . . 1 . . . . . 28 GLU N . 50466 1 53 . 1 . 1 29 29 ARG H H 1 8.03032 . . 1 . . . . . 29 ARG H . 50466 1 54 . 1 . 1 29 29 ARG N N 15 120.14301 . . 1 . . . . . 29 ARG N . 50466 1 55 . 1 . 1 30 30 VAL H H 1 8.22100 . . 1 . . . . . 30 VAL H . 50466 1 56 . 1 . 1 30 30 VAL N N 15 121.10970 . . 1 . . . . . 30 VAL N . 50466 1 57 . 1 . 1 31 31 GLU H H 1 8.38624 . . 1 . . . . . 31 GLU H . 50466 1 58 . 1 . 1 31 31 GLU N N 15 123.13083 . . 1 . . . . . 31 GLU N . 50466 1 59 . 1 . 1 32 32 GLU H H 1 7.86509 . . 1 . . . . . 32 GLU H . 50466 1 60 . 1 . 1 32 32 GLU N N 15 119.26430 . . 1 . . . . . 32 GLU N . 50466 1 61 . 1 . 1 33 33 LYS H H 1 7.19143 . . 1 . . . . . 33 LYS H . 50466 1 62 . 1 . 1 33 33 LYS N N 15 114.95846 . . 1 . . . . . 33 LYS N . 50466 1 63 . 1 . 1 34 34 GLU H H 1 8.56421 . . 1 . . . . . 34 GLU H . 50466 1 64 . 1 . 1 34 34 GLU N N 15 115.30988 . . 1 . . . . . 34 GLU N . 50466 1 65 . 1 . 1 35 35 GLY H H 1 8.56419 . . 1 . . . . . 35 GLY H . 50466 1 66 . 1 . 1 35 35 GLY N N 15 108.89490 . . 1 . . . . . 35 GLY N . 50466 1 67 . 1 . 1 36 36 ILE H H 1 6.14911 . . 1 . . . . . 36 ILE H . 50466 1 68 . 1 . 1 36 36 ILE N N 15 120.31883 . . 1 . . . . . 36 ILE N . 50466 1 69 . 1 . 1 39 39 GLN H H 1 8.79298 . . 1 . . . . . 39 GLN H . 50466 1 70 . 1 . 1 39 39 GLN N N 15 114.51888 . . 1 . . . . . 39 GLN N . 50466 1 71 . 1 . 1 40 40 GLN H H 1 7.83966 . . 1 . . . . . 40 GLN H . 50466 1 72 . 1 . 1 40 40 GLN N N 15 116.36440 . . 1 . . . . . 40 GLN N . 50466 1 73 . 1 . 1 41 41 GLN H H 1 7.53462 . . 1 . . . . . 41 GLN H . 50466 1 74 . 1 . 1 41 41 GLN N N 15 118.20975 . . 1 . . . . . 41 GLN N . 50466 1 75 . 1 . 1 42 42 ARG H H 1 8.53876 . . 1 . . . . . 42 ARG H . 50466 1 76 . 1 . 1 42 42 ARG N N 15 122.77952 . . 1 . . . . . 42 ARG N . 50466 1 77 . 1 . 1 43 43 LEU H H 1 8.37353 . . 1 . . . . . 43 LEU H . 50466 1 78 . 1 . 1 43 43 LEU N N 15 123.21852 . . 1 . . . . . 43 LEU N . 50466 1 79 . 1 . 1 44 44 ILE H H 1 9.18701 . . 1 . . . . . 44 ILE H . 50466 1 80 . 1 . 1 44 44 ILE N N 15 123.65802 . . 1 . . . . . 44 ILE N . 50466 1 81 . 1 . 1 45 45 TYR H H 1 8.67859 . . 1 . . . . . 45 TYR H . 50466 1 82 . 1 . 1 45 45 TYR N N 15 124.97624 . . 1 . . . . . 45 TYR N . 50466 1 83 . 1 . 1 47 47 GLY H H 1 8.28454 . . 1 . . . . . 47 GLY H . 50466 1 84 . 1 . 1 47 47 GLY N N 15 103.44698 . . 1 . . . . . 47 GLY N . 50466 1 85 . 1 . 1 48 48 LYS H H 1 7.71255 . . 1 . . . . . 48 LYS H . 50466 1 86 . 1 . 1 48 48 LYS N N 15 121.10965 . . 1 . . . . . 48 LYS N . 50466 1 87 . 1 . 1 49 49 GLN H H 1 8.70402 . . 1 . . . . . 49 GLN H . 50466 1 88 . 1 . 1 49 49 GLN N N 15 123.74598 . . 1 . . . . . 49 GLN N . 50466 1 89 . 1 . 1 50 50 MET H H 1 8.52609 . . 1 . . . . . 50 MET H . 50466 1 90 . 1 . 1 50 50 MET N N 15 125.50335 . . 1 . . . . . 50 MET N . 50466 1 91 . 1 . 1 51 51 ASN H H 1 8.52607 . . 1 . . . . . 51 ASN H . 50466 1 92 . 1 . 1 51 51 ASN N N 15 122.95518 . . 1 . . . . . 51 ASN N . 50466 1 93 . 1 . 1 52 52 ASP H H 1 8.41167 . . 1 . . . . . 52 ASP H . 50466 1 94 . 1 . 1 52 52 ASP N N 15 123.39439 . . 1 . . . . . 52 ASP N . 50466 1 95 . 1 . 1 53 53 GLU H H 1 8.66588 . . 1 . . . . . 53 GLU H . 50466 1 96 . 1 . 1 53 53 GLU N N 15 114.07978 . . 1 . . . . . 53 GLU N . 50466 1 97 . 1 . 1 54 54 LYS H H 1 7.47107 . . 1 . . . . . 54 LYS H . 50466 1 98 . 1 . 1 54 54 LYS N N 15 120.49448 . . 1 . . . . . 54 LYS N . 50466 1 99 . 1 . 1 55 55 THR H H 1 9.09805 . . 1 . . . . . 55 THR H . 50466 1 100 . 1 . 1 55 55 THR N N 15 108.54343 . . 1 . . . . . 55 THR N . 50466 1 101 . 1 . 1 56 56 ALA H H 1 8.22099 . . 1 . . . . . 56 ALA H . 50466 1 102 . 1 . 1 56 56 ALA N N 15 121.10972 . . 1 . . . . . 56 ALA N . 50466 1 103 . 1 . 1 57 57 ALA H H 1 8.42437 . . 1 . . . . . 57 ALA H . 50466 1 104 . 1 . 1 57 57 ALA N N 15 119.96734 . . 1 . . . . . 57 ALA N . 50466 1 105 . 1 . 1 58 58 ASP H H 1 7.85238 . . 1 . . . . . 58 ASP H . 50466 1 106 . 1 . 1 58 58 ASP N N 15 120.67015 . . 1 . . . . . 58 ASP N . 50466 1 107 . 1 . 1 59 59 TYR H H 1 7.28039 . . 1 . . . . . 59 TYR H . 50466 1 108 . 1 . 1 59 59 TYR N N 15 116.10078 . . 1 . . . . . 59 TYR N . 50466 1 109 . 1 . 1 60 60 LYS H H 1 7.91593 . . 1 . . . . . 60 LYS H . 50466 1 110 . 1 . 1 60 60 LYS N N 15 115.30982 . . 1 . . . . . 60 LYS N . 50466 1 111 . 1 . 1 61 61 ILE H H 1 7.03889 . . 1 . . . . . 61 ILE H . 50466 1 112 . 1 . 1 61 61 ILE N N 15 118.29767 . . 1 . . . . . 61 ILE N . 50466 1 113 . 1 . 1 62 62 LEU H H 1 7.53462 . . 1 . . . . . 62 LEU H . 50466 1 114 . 1 . 1 62 62 LEU N N 15 126.11848 . . 1 . . . . . 62 LEU N . 50466 1 115 . 1 . 1 63 63 GLY H H 1 8.57692 . . 1 . . . . . 63 GLY H . 50466 1 116 . 1 . 1 63 63 GLY N N 15 107.66483 . . 1 . . . . . 63 GLY N . 50466 1 117 . 1 . 1 64 64 GLY H H 1 9.30142 . . 1 . . . . . 64 GLY H . 50466 1 118 . 1 . 1 64 64 GLY N N 15 113.64030 . . 1 . . . . . 64 GLY N . 50466 1 119 . 1 . 1 65 65 SER H H 1 8.08117 . . 1 . . . . . 65 SER H . 50466 1 120 . 1 . 1 65 65 SER N N 15 117.85840 . . 1 . . . . . 65 SER N . 50466 1 121 . 1 . 1 66 66 VAL H H 1 8.34810 . . 1 . . . . . 66 VAL H . 50466 1 122 . 1 . 1 66 66 VAL N N 15 121.19755 . . 1 . . . . . 66 VAL N . 50466 1 123 . 1 . 1 67 67 LEU H H 1 9.12348 . . 1 . . . . . 67 LEU H . 50466 1 124 . 1 . 1 67 67 LEU N N 15 127.96394 . . 1 . . . . . 67 LEU N . 50466 1 125 . 1 . 1 68 68 HIS H H 1 9.04720 . . 1 . . . . . 68 HIS H . 50466 1 126 . 1 . 1 68 68 HIS N N 15 119.96736 . . 1 . . . . . 68 HIS N . 50466 1 127 . 1 . 1 69 69 LEU H H 1 8.15744 . . 1 . . . . . 69 LEU H . 50466 1 128 . 1 . 1 69 69 LEU N N 15 123.92172 . . 1 . . . . . 69 LEU N . 50466 1 129 . 1 . 1 70 70 VAL H H 1 9.02178 . . 1 . . . . . 70 VAL H . 50466 1 130 . 1 . 1 70 70 VAL N N 15 126.03083 . . 1 . . . . . 70 VAL N . 50466 1 131 . 1 . 1 71 71 LEU H H 1 8.10660 . . 1 . . . . . 71 LEU H . 50466 1 132 . 1 . 1 71 71 LEU N N 15 123.21864 . . 1 . . . . . 71 LEU N . 50466 1 133 . 1 . 1 72 72 ALA H H 1 8.48794 . . 1 . . . . . 72 ALA H . 50466 1 134 . 1 . 1 72 72 ALA N N 15 126.64584 . . 1 . . . . . 72 ALA N . 50466 1 135 . 1 . 1 73 73 LEU H H 1 8.13202 . . 1 . . . . . 73 LEU H . 50466 1 136 . 1 . 1 73 73 LEU N N 15 121.81268 . . 1 . . . . . 73 LEU N . 50466 1 137 . 1 . 1 74 74 ARG H H 1 8.33539 . . 1 . . . . . 74 ARG H . 50466 1 138 . 1 . 1 74 74 ARG N N 15 121.81271 . . 1 . . . . . 74 ARG N . 50466 1 139 . 1 . 1 75 75 GLY H H 1 8.37355 . . 1 . . . . . 75 GLY H . 50466 1 140 . 1 . 1 75 75 GLY N N 15 111.00398 . . 1 . . . . . 75 GLY N . 50466 1 141 . 1 . 1 76 76 GLY H H 1 7.86510 . . 1 . . . . . 76 GLY H . 50466 1 142 . 1 . 1 76 76 GLY N N 15 115.22188 . . 1 . . . . . 76 GLY N . 50466 1 stop_ save_