data_50948 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50948 _Entry.Title ; NEDD8_Q40E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-19 _Entry.Accession_date 2021-05-19 _Entry.Last_release_date 2021-05-19 _Entry.Original_release_date 2021-05-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 'Kiran Sankar' Chatterjee . . . . 50948 2 Ranabir Das . . . . 50948 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Center for Biological Sciences' . 50948 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50948 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 69 50948 '1H chemical shifts' 69 50948 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 . . 2021-09-18 . original BMRB . 50948 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50949 'Backbone 1H, and 15N Chemical Shift Assignments for M82I SUMO1' 50948 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50948 _Citation.ID 1 _Citation.Name Citation_Nb-SUMO1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34489942 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NEDD8 Deamidation Inhibits Cullin RING Ligase Dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Immunol.' _Citation.Journal_name_full 'Frontiers in immunology' _Citation.Journal_volume 12 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1664-3224 _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 695331 _Citation.Page_last 695331 _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 Priyesh Mohanty . . . . 50948 1 2 'Kiran Sankar' Chatterjee . . . . 50948 1 3 Ranabir Das . . . . 50948 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50948 _Assembly.ID 1 _Assembly.Name NEDD8_Q40E _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 10724 _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_Q40E 1 $entity_1 . . yes native no no . . . 50948 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50948 _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 ; MGSSHHHHHHSSGLVPRGSH MLIKVKTLTGKEIEIDIEPT DKVERIKERVEEKEGIPPQE QRLIYSGKQMNDEKTAADYK ILGGSVLHLVLALRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; HIS tagged human NEDD8_Q40E sequence. Residues -16 to -10 represent HIS tag followed by (-10 to 0) enzymatic cleavage site. ; _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 96 _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 Q40E _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10724 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Post Translational Modifier' 50948 1 stop_ 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 -19 MET . 50948 1 2 -18 GLY . 50948 1 3 -17 SER . 50948 1 4 -16 SER . 50948 1 5 -15 HIS . 50948 1 6 -14 HIS . 50948 1 7 -13 HIS . 50948 1 8 -12 HIS . 50948 1 9 -11 HIS . 50948 1 10 -10 HIS . 50948 1 11 -9 SER . 50948 1 12 -8 SER . 50948 1 13 -7 GLY . 50948 1 14 -6 LEU . 50948 1 15 -5 VAL . 50948 1 16 -4 PRO . 50948 1 17 -3 ARG . 50948 1 18 -2 GLY . 50948 1 19 -1 SER . 50948 1 20 0 HIS . 50948 1 21 1 MET . 50948 1 22 2 LEU . 50948 1 23 3 ILE . 50948 1 24 4 LYS . 50948 1 25 5 VAL . 50948 1 26 6 LYS . 50948 1 27 7 THR . 50948 1 28 8 LEU . 50948 1 29 9 THR . 50948 1 30 10 GLY . 50948 1 31 11 LYS . 50948 1 32 12 GLU . 50948 1 33 13 ILE . 50948 1 34 14 GLU . 50948 1 35 15 ILE . 50948 1 36 16 ASP . 50948 1 37 17 ILE . 50948 1 38 18 GLU . 50948 1 39 19 PRO . 50948 1 40 20 THR . 50948 1 41 21 ASP . 50948 1 42 22 LYS . 50948 1 43 23 VAL . 50948 1 44 24 GLU . 50948 1 45 25 ARG . 50948 1 46 26 ILE . 50948 1 47 27 LYS . 50948 1 48 28 GLU . 50948 1 49 29 ARG . 50948 1 50 30 VAL . 50948 1 51 31 GLU . 50948 1 52 32 GLU . 50948 1 53 33 LYS . 50948 1 54 34 GLU . 50948 1 55 35 GLY . 50948 1 56 36 ILE . 50948 1 57 37 PRO . 50948 1 58 38 PRO . 50948 1 59 39 GLN . 50948 1 60 40 GLU . 50948 1 61 41 GLN . 50948 1 62 42 ARG . 50948 1 63 43 LEU . 50948 1 64 44 ILE . 50948 1 65 45 TYR . 50948 1 66 46 SER . 50948 1 67 47 GLY . 50948 1 68 48 LYS . 50948 1 69 49 GLN . 50948 1 70 50 MET . 50948 1 71 51 ASN . 50948 1 72 52 ASP . 50948 1 73 53 GLU . 50948 1 74 54 LYS . 50948 1 75 55 THR . 50948 1 76 56 ALA . 50948 1 77 57 ALA . 50948 1 78 58 ASP . 50948 1 79 59 TYR . 50948 1 80 60 LYS . 50948 1 81 61 ILE . 50948 1 82 62 LEU . 50948 1 83 63 GLY . 50948 1 84 64 GLY . 50948 1 85 65 SER . 50948 1 86 66 VAL . 50948 1 87 67 LEU . 50948 1 88 68 HIS . 50948 1 89 69 LEU . 50948 1 90 70 VAL . 50948 1 91 71 LEU . 50948 1 92 72 ALA . 50948 1 93 73 LEU . 50948 1 94 74 ARG . 50948 1 95 75 GLY . 50948 1 96 76 GLY . 50948 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 50948 1 . GLY 2 2 50948 1 . SER 3 3 50948 1 . SER 4 4 50948 1 . HIS 5 5 50948 1 . HIS 6 6 50948 1 . HIS 7 7 50948 1 . HIS 8 8 50948 1 . HIS 9 9 50948 1 . HIS 10 10 50948 1 . SER 11 11 50948 1 . SER 12 12 50948 1 . GLY 13 13 50948 1 . LEU 14 14 50948 1 . VAL 15 15 50948 1 . PRO 16 16 50948 1 . ARG 17 17 50948 1 . GLY 18 18 50948 1 . SER 19 19 50948 1 . HIS 20 20 50948 1 . MET 21 21 50948 1 . LEU 22 22 50948 1 . ILE 23 23 50948 1 . LYS 24 24 50948 1 . VAL 25 25 50948 1 . LYS 26 26 50948 1 . THR 27 27 50948 1 . LEU 28 28 50948 1 . THR 29 29 50948 1 . GLY 30 30 50948 1 . LYS 31 31 50948 1 . GLU 32 32 50948 1 . ILE 33 33 50948 1 . GLU 34 34 50948 1 . ILE 35 35 50948 1 . ASP 36 36 50948 1 . ILE 37 37 50948 1 . GLU 38 38 50948 1 . PRO 39 39 50948 1 . THR 40 40 50948 1 . ASP 41 41 50948 1 . LYS 42 42 50948 1 . VAL 43 43 50948 1 . GLU 44 44 50948 1 . ARG 45 45 50948 1 . ILE 46 46 50948 1 . LYS 47 47 50948 1 . GLU 48 48 50948 1 . ARG 49 49 50948 1 . VAL 50 50 50948 1 . GLU 51 51 50948 1 . GLU 52 52 50948 1 . LYS 53 53 50948 1 . GLU 54 54 50948 1 . GLY 55 55 50948 1 . ILE 56 56 50948 1 . PRO 57 57 50948 1 . PRO 58 58 50948 1 . GLN 59 59 50948 1 . GLU 60 60 50948 1 . GLN 61 61 50948 1 . ARG 62 62 50948 1 . LEU 63 63 50948 1 . ILE 64 64 50948 1 . TYR 65 65 50948 1 . SER 66 66 50948 1 . GLY 67 67 50948 1 . LYS 68 68 50948 1 . GLN 69 69 50948 1 . MET 70 70 50948 1 . ASN 71 71 50948 1 . ASP 72 72 50948 1 . GLU 73 73 50948 1 . LYS 74 74 50948 1 . THR 75 75 50948 1 . ALA 76 76 50948 1 . ALA 77 77 50948 1 . ASP 78 78 50948 1 . TYR 79 79 50948 1 . LYS 80 80 50948 1 . ILE 81 81 50948 1 . LEU 82 82 50948 1 . GLY 83 83 50948 1 . GLY 84 84 50948 1 . SER 85 85 50948 1 . VAL 86 86 50948 1 . LEU 87 87 50948 1 . HIS 88 88 50948 1 . LEU 89 89 50948 1 . VAL 90 90 50948 1 . LEU 91 91 50948 1 . ALA 92 92 50948 1 . LEU 93 93 50948 1 . ARG 94 94 50948 1 . GLY 95 95 50948 1 . GLY 96 96 50948 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 50948 _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 . . . . . . . . . . . . . 50948 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 50948 _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 . . pET-28b . . . 50948 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50948 _Sample.ID 1 _Sample.Name NEDD8_Q40E _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 225 200 250 mM . . . . 50948 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 50948 _Sample_condition_list.ID 1 _Sample_condition_list.Name NEDD8_Q40E_sample _Sample_condition_list.Details 'Sample was made in PBS, pH 7.4.' 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' 0.162 . M 50948 1 pH 7.4 . pH 50948 1 pressure 1 . atm 50948 1 temperature 298 . K 50948 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50948 _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 . 50948 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50948 _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 . 50948 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50948 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50948 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 50948 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 50948 _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 . . . . . . . . . . . . . . . . . 50948 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 50948 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name NEDD8_Q40E-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 water protons . . . . ppm 4.773 internal direct 1 . . . . . 50948 1 N 15 water nitrogen . . . . ppm 4.773 na indirect 1 . . . . . 50948 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 50948 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name "1H, 15N, CA, CB and C' chemical shift of Nb-SUMO1" _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' . . . 50948 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 . . 50948 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 21 21 MET H H 1 9.205 0.00 . . . . . . . 1 MET H . 50948 1 2 . 1 . 1 21 21 MET N N 15 120.707 0.00 . . . . . . . 1 MET N . 50948 1 3 . 1 . 1 22 22 LEU H H 1 8.495 0.00 . . . . . . . 2 LEU H . 50948 1 4 . 1 . 1 22 22 LEU N N 15 124.112 0.00 . . . . . . . 2 LEU N . 50948 1 5 . 1 . 1 23 23 ILE H H 1 8.981 0.00 . . . . . . . 3 ILE H . 50948 1 6 . 1 . 1 23 23 ILE N N 15 120.637 0.00 . . . . . . . 3 ILE N . 50948 1 7 . 1 . 1 24 24 LYS H H 1 8.508 0.00 . . . . . . . 4 LYS H . 50948 1 8 . 1 . 1 24 24 LYS N N 15 118.387 0.00 . . . . . . . 4 LYS N . 50948 1 9 . 1 . 1 25 25 VAL H H 1 9.025 0.00 . . . . . . . 5 VAL H . 50948 1 10 . 1 . 1 25 25 VAL N N 15 121.619 0.00 . . . . . . . 5 VAL N . 50948 1 11 . 1 . 1 26 26 LYS H H 1 9.074 0.00 . . . . . . . 6 LYS H . 50948 1 12 . 1 . 1 26 26 LYS N N 15 128.273 0.00 . . . . . . . 6 LYS N . 50948 1 13 . 1 . 1 27 27 THR H H 1 8.847 0.00 . . . . . . . 7 THR H . 50948 1 14 . 1 . 1 27 27 THR N N 15 116.719 0.00 . . . . . . . 7 THR N . 50948 1 15 . 1 . 1 28 28 LEU H H 1 9.130 0.00 . . . . . . . 8 LEU H . 50948 1 16 . 1 . 1 28 28 LEU N N 15 121.134 0.00 . . . . . . . 8 LEU N . 50948 1 17 . 1 . 1 29 29 THR H H 1 7.666 0.00 . . . . . . . 9 THR H . 50948 1 18 . 1 . 1 29 29 THR N N 15 107.055 0.00 . . . . . . . 9 THR N . 50948 1 19 . 1 . 1 30 30 GLY H H 1 7.914 0.00 . . . . . . . 10 GLY H . 50948 1 20 . 1 . 1 30 30 GLY N N 15 109.842 0.00 . . . . . . . 10 GLY N . 50948 1 21 . 1 . 1 31 31 LYS H H 1 7.206 0.00 . . . . . . . 11 LYS H . 50948 1 22 . 1 . 1 31 31 LYS N N 15 121.967 0.00 . . . . . . . 11 LYS N . 50948 1 23 . 1 . 1 32 32 GLU H H 1 8.609 0.00 . . . . . . . 12 GLU H . 50948 1 24 . 1 . 1 32 32 GLU N N 15 124.105 0.00 . . . . . . . 12 GLU N . 50948 1 25 . 1 . 1 33 33 ILE H H 1 9.165 0.00 . . . . . . . 13 ILE H . 50948 1 26 . 1 . 1 33 33 ILE N N 15 124.354 0.00 . . . . . . . 13 ILE N . 50948 1 27 . 1 . 1 34 34 GLU H H 1 8.671 0.00 . . . . . . . 14 GLU H . 50948 1 28 . 1 . 1 34 34 GLU N N 15 126.145 0.00 . . . . . . . 14 GLU N . 50948 1 29 . 1 . 1 35 35 ILE H H 1 8.704 0.00 . . . . . . . 15 ILE H . 50948 1 30 . 1 . 1 35 35 ILE N N 15 122.087 0.00 . . . . . . . 15 ILE N . 50948 1 31 . 1 . 1 36 36 ASP H H 1 8.342 0.00 . . . . . . . 16 ASP H . 50948 1 32 . 1 . 1 36 36 ASP N N 15 124.301 0.00 . . . . . . . 16 ASP N . 50948 1 33 . 1 . 1 37 37 ILE H H 1 8.881 0.00 . . . . . . . 17 ILE H . 50948 1 34 . 1 . 1 37 37 ILE N N 15 116.857 0.00 . . . . . . . 17 ILE N . 50948 1 35 . 1 . 1 38 38 GLU H H 1 8.391 0.00 . . . . . . . 18 GLU H . 50948 1 36 . 1 . 1 38 38 GLU N N 15 119.589 0.00 . . . . . . . 18 GLU N . 50948 1 37 . 1 . 1 40 40 THR H H 1 6.729 0.00 . . . . . . . 20 THR H . 50948 1 38 . 1 . 1 40 40 THR N N 15 98.669 0.00 . . . . . . . 20 THR N . 50948 1 39 . 1 . 1 41 41 ASP H H 1 7.815 0.00 . . . . . . . 21 ASP H . 50948 1 40 . 1 . 1 41 41 ASP N N 15 123.175 0.00 . . . . . . . 21 ASP N . 50948 1 41 . 1 . 1 42 42 LYS H H 1 8.548 0.00 . . . . . . . 22 LYS H . 50948 1 42 . 1 . 1 42 42 LYS N N 15 119.765 0.00 . . . . . . . 22 LYS N . 50948 1 43 . 1 . 1 43 43 VAL H H 1 9.221 0.00 . . . . . . . 23 VAL H . 50948 1 44 . 1 . 1 43 43 VAL N N 15 125.673 0.00 . . . . . . . 23 VAL N . 50948 1 45 . 1 . 1 44 44 GLU H H 1 8.615 0.00 . . . . . . . 24 GLU H . 50948 1 46 . 1 . 1 44 44 GLU N N 15 117.799 0.00 . . . . . . . 24 GLU N . 50948 1 47 . 1 . 1 45 45 ARG H H 1 7.403 0.00 . . . . . . . 25 ARG H . 50948 1 48 . 1 . 1 45 45 ARG N N 15 119.177 0.00 . . . . . . . 25 ARG N . 50948 1 49 . 1 . 1 46 46 ILE H H 1 7.814 0.00 . . . . . . . 26 ILE H . 50948 1 50 . 1 . 1 46 46 ILE N N 15 120.458 0.00 . . . . . . . 26 ILE N . 50948 1 51 . 1 . 1 47 47 LYS H H 1 7.767 0.00 . . . . . . . 27 LYS H . 50948 1 52 . 1 . 1 47 47 LYS N N 15 116.813 0.00 . . . . . . . 27 LYS N . 50948 1 53 . 1 . 1 48 48 GLU H H 1 7.763 0.00 . . . . . . . 28 GLU H . 50948 1 54 . 1 . 1 48 48 GLU N N 15 120.736 0.00 . . . . . . . 28 GLU N . 50948 1 55 . 1 . 1 49 49 ARG H H 1 8.105 0.00 . . . . . . . 29 ARG H . 50948 1 56 . 1 . 1 49 49 ARG N N 15 120.253 0.00 . . . . . . . 29 ARG N . 50948 1 57 . 1 . 1 50 50 VAL H H 1 8.284 0.00 . . . . . . . 30 VAL H . 50948 1 58 . 1 . 1 50 50 VAL N N 15 121.073 0.00 . . . . . . . 30 VAL N . 50948 1 59 . 1 . 1 52 52 GLU H H 1 7.961 0.00 . . . . . . . 32 GLU H . 50948 1 60 . 1 . 1 52 52 GLU N N 15 119.370 0.00 . . . . . . . 32 GLU N . 50948 1 61 . 1 . 1 53 53 LYS H H 1 7.305 0.00 . . . . . . . 33 LYS H . 50948 1 62 . 1 . 1 53 53 LYS N N 15 115.115 0.00 . . . . . . . 33 LYS N . 50948 1 63 . 1 . 1 54 54 GLU H H 1 8.648 0.00 . . . . . . . 34 GLU H . 50948 1 64 . 1 . 1 54 54 GLU N N 15 115.529 0.00 . . . . . . . 34 GLU N . 50948 1 65 . 1 . 1 55 55 GLY H H 1 8.605 0.00 . . . . . . . 35 GLY H . 50948 1 66 . 1 . 1 55 55 GLY N N 15 108.881 0.00 . . . . . . . 35 GLY N . 50948 1 67 . 1 . 1 56 56 ILE H H 1 6.288 0.00 . . . . . . . 36 ILE H . 50948 1 68 . 1 . 1 56 56 ILE N N 15 120.414 0.00 . . . . . . . 36 ILE N . 50948 1 69 . 1 . 1 59 59 GLN H H 1 8.834 0.00 . . . . . . . 39 GLN H . 50948 1 70 . 1 . 1 59 59 GLN N N 15 114.154 0.00 . . . . . . . 39 GLN N . 50948 1 71 . 1 . 1 60 60 GLU H H 1 7.925 0.00 . . . . . . . 40 GLU H . 50948 1 72 . 1 . 1 60 60 GLU N N 15 117.744 0.00 . . . . . . . 40 GLU N . 50948 1 73 . 1 . 1 62 62 ARG H H 1 8.591 0.00 . . . . . . . 42 ARG H . 50948 1 74 . 1 . 1 62 62 ARG N N 15 122.554 0.00 . . . . . . . 42 ARG N . 50948 1 75 . 1 . 1 63 63 LEU H H 1 8.462 0.00 . . . . . . . 43 LEU H . 50948 1 76 . 1 . 1 63 63 LEU N N 15 123.020 0.00 . . . . . . . 43 LEU N . 50948 1 77 . 1 . 1 64 64 ILE H H 1 9.266 0.00 . . . . . . . 44 ILE H . 50948 1 78 . 1 . 1 64 64 ILE N N 15 123.454 0.00 . . . . . . . 44 ILE N . 50948 1 79 . 1 . 1 65 65 TYR H H 1 8.746 0.00 . . . . . . . 45 TYR H . 50948 1 80 . 1 . 1 65 65 TYR N N 15 124.917 0.00 . . . . . . . 45 TYR N . 50948 1 81 . 1 . 1 67 67 GLY H H 1 8.353 0.00 . . . . . . . 47 GLY H . 50948 1 82 . 1 . 1 67 67 GLY N N 15 103.521 0.00 . . . . . . . 47 GLY N . 50948 1 83 . 1 . 1 68 68 LYS H H 1 7.783 0.00 . . . . . . . 48 LYS H . 50948 1 84 . 1 . 1 68 68 LYS N N 15 121.157 0.00 . . . . . . . 48 LYS N . 50948 1 85 . 1 . 1 69 69 GLN H H 1 8.799 0.00 . . . . . . . 49 GLN H . 50948 1 86 . 1 . 1 69 69 GLN N N 15 123.295 0.00 . . . . . . . 49 GLN N . 50948 1 87 . 1 . 1 70 70 MET H H 1 8.602 0.00 . . . . . . . 50 MET H . 50948 1 88 . 1 . 1 70 70 MET N N 15 125.497 0.00 . . . . . . . 50 MET N . 50948 1 89 . 1 . 1 71 71 ASN H H 1 8.644 0.00 . . . . . . . 51 ASN H . 50948 1 90 . 1 . 1 71 71 ASN N N 15 123.063 0.00 . . . . . . . 51 ASN N . 50948 1 91 . 1 . 1 72 72 ASP H H 1 8.494 0.00 . . . . . . . 52 ASP H . 50948 1 92 . 1 . 1 72 72 ASP N N 15 123.468 0.00 . . . . . . . 52 ASP N . 50948 1 93 . 1 . 1 73 73 GLU H H 1 8.748 0.00 . . . . . . . 53 GLU H . 50948 1 94 . 1 . 1 73 73 GLU N N 15 114.067 0.00 . . . . . . . 53 GLU N . 50948 1 95 . 1 . 1 74 74 LYS H H 1 7.553 0.00 . . . . . . . 54 LYS H . 50948 1 96 . 1 . 1 74 74 LYS N N 15 120.428 0.00 . . . . . . . 54 LYS N . 50948 1 97 . 1 . 1 75 75 THR H H 1 9.166 0.00 . . . . . . . 55 THR H . 50948 1 98 . 1 . 1 75 75 THR N N 15 108.474 0.00 . . . . . . . 55 THR N . 50948 1 99 . 1 . 1 76 76 ALA H H 1 8.325 0.00 . . . . . . . 56 ALA H . 50948 1 100 . 1 . 1 76 76 ALA N N 15 121.170 0.00 . . . . . . . 56 ALA N . 50948 1 101 . 1 . 1 77 77 ALA H H 1 8.462 0.00 . . . . . . . 57 ALA H . 50948 1 102 . 1 . 1 77 77 ALA N N 15 119.804 0.00 . . . . . . . 57 ALA N . 50948 1 103 . 1 . 1 78 78 ASP H H 1 7.921 0.00 . . . . . . . 58 ASP H . 50948 1 104 . 1 . 1 78 78 ASP N N 15 120.518 0.00 . . . . . . . 58 ASP N . 50948 1 105 . 1 . 1 79 79 TYR H H 1 7.351 0.00 . . . . . . . 59 TYR H . 50948 1 106 . 1 . 1 79 79 TYR N N 15 116.021 0.00 . . . . . . . 59 TYR N . 50948 1 107 . 1 . 1 80 80 LYS H H 1 7.978 0.00 . . . . . . . 60 LYS H . 50948 1 108 . 1 . 1 80 80 LYS N N 15 115.433 0.00 . . . . . . . 60 LYS N . 50948 1 109 . 1 . 1 81 81 ILE H H 1 7.106 0.00 . . . . . . . 61 ILE H . 50948 1 110 . 1 . 1 81 81 ILE N N 15 118.237 0.00 . . . . . . . 61 ILE N . 50948 1 111 . 1 . 1 82 82 LEU H H 1 7.542 0.00 . . . . . . . 62 LEU H . 50948 1 112 . 1 . 1 82 82 LEU N N 15 125.586 0.00 . . . . . . . 62 LEU N . 50948 1 113 . 1 . 1 83 83 GLY H H 1 8.677 0.00 . . . . . . . 63 GLY H . 50948 1 114 . 1 . 1 83 83 GLY N N 15 107.566 0.00 . . . . . . . 63 GLY N . 50948 1 115 . 1 . 1 84 84 GLY H H 1 9.284 0.00 . . . . . . . 64 GLY H . 50948 1 116 . 1 . 1 84 84 GLY N N 15 113.593 0.00 . . . . . . . 64 GLY N . 50948 1 117 . 1 . 1 85 85 SER H H 1 8.117 0.00 . . . . . . . 65 SER H . 50948 1 118 . 1 . 1 85 85 SER N N 15 117.751 0.00 . . . . . . . 65 SER N . 50948 1 119 . 1 . 1 86 86 VAL H H 1 8.423 0.00 . . . . . . . 66 VAL H . 50948 1 120 . 1 . 1 86 86 VAL N N 15 121.245 0.00 . . . . . . . 66 VAL N . 50948 1 121 . 1 . 1 87 87 LEU H H 1 9.226 0.00 . . . . . . . 67 LEU H . 50948 1 122 . 1 . 1 87 87 LEU N N 15 128.037 0.00 . . . . . . . 67 LEU N . 50948 1 123 . 1 . 1 88 88 HIS H H 1 9.089 0.00 . . . . . . . 68 HIS H . 50948 1 124 . 1 . 1 88 88 HIS N N 15 119.878 0.00 . . . . . . . 68 HIS N . 50948 1 125 . 1 . 1 89 89 LEU H H 1 8.225 0.00 . . . . . . . 69 LEU H . 50948 1 126 . 1 . 1 89 89 LEU N N 15 123.975 0.00 . . . . . . . 69 LEU N . 50948 1 127 . 1 . 1 91 91 LEU H H 1 8.139 0.00 . . . . . . . 71 LEU H . 50948 1 128 . 1 . 1 91 91 LEU N N 15 122.878 0.00 . . . . . . . 71 LEU N . 50948 1 129 . 1 . 1 92 92 ALA H H 1 8.527 0.00 . . . . . . . 72 ALA H . 50948 1 130 . 1 . 1 92 92 ALA N N 15 126.223 0.00 . . . . . . . 72 ALA N . 50948 1 131 . 1 . 1 93 93 LEU H H 1 8.216 0.00 . . . . . . . 73 LEU H . 50948 1 132 . 1 . 1 93 93 LEU N N 15 121.625 0.00 . . . . . . . 73 LEU N . 50948 1 133 . 1 . 1 94 94 ARG H H 1 8.534 0.00 . . . . . . . 74 ARG H . 50948 1 134 . 1 . 1 94 94 ARG N N 15 122.775 0.00 . . . . . . . 74 ARG N . 50948 1 135 . 1 . 1 95 95 GLY H H 1 8.498 0.00 . . . . . . . 75 GLY H . 50948 1 136 . 1 . 1 95 95 GLY N N 15 111.521 0.00 . . . . . . . 75 GLY N . 50948 1 137 . 1 . 1 96 96 GLY H H 1 7.931 0.00 . . . . . . . 76 GLY H . 50948 1 138 . 1 . 1 96 96 GLY N N 15 115.197 0.00 . . . . . . . 76 GLY N . 50948 1 stop_ save_