data_30234 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30234 _Entry.Title ; Representative 1-conformer ensembles of K27-linked Ub2 from RDC data ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-18 _Entry.Accession_date 2017-01-18 _Entry.Last_release_date 2017-10-17 _Entry.Original_release_date 2017-10-17 _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 C. Castaneda C. A. . . 30234 2 D. Fushman D. . . . 30234 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID K27-linkage . 30234 'SIGNALING PROTEIN' . 30234 diubiquitin . 30234 'post-translational modification' . 30234 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 30234 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 140 30234 '1H chemical shifts' 140 30234 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 . . 2017-10-20 . original BMRB . 30234 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5UJL 'BMRB Entry Tracking System' 30234 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30234 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2016.01.007 _Citation.PubMed_ID 26876099 _Citation.Full_citation . _Citation.Title ; Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 3 _Citation.Journal_ASTM STRUE6 _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD 2005 _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 423 _Citation.Page_last 436 _Citation.Year 2016 _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 C. Castaneda C. A. . . 30234 1 2 E. Dixon E. K. . . 30234 1 3 O. Walker O. . . . 30234 1 4 A. Chaturvedi A. . . . 30234 1 5 M. Nakasone M. A. . . 30234 1 6 J. Curtis J. E. . . 30234 1 7 M. Reed M. R. . . 30234 1 8 S. Krueger S. . . . 30234 1 9 T. Cropp T. A. . . 30234 1 10 D. Fushman D. . . . 30234 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30234 _Assembly.ID 1 _Assembly.Name Ubiquitin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 30234 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 30234 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30234 _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 A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _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 man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-76' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8576.831 _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 . 30234 1 2 . GLN . 30234 1 3 . ILE . 30234 1 4 . PHE . 30234 1 5 . VAL . 30234 1 6 . LYS . 30234 1 7 . THR . 30234 1 8 . LEU . 30234 1 9 . THR . 30234 1 10 . GLY . 30234 1 11 . LYS . 30234 1 12 . THR . 30234 1 13 . ILE . 30234 1 14 . THR . 30234 1 15 . LEU . 30234 1 16 . GLU . 30234 1 17 . VAL . 30234 1 18 . GLU . 30234 1 19 . PRO . 30234 1 20 . SER . 30234 1 21 . ASP . 30234 1 22 . THR . 30234 1 23 . ILE . 30234 1 24 . GLU . 30234 1 25 . ASN . 30234 1 26 . VAL . 30234 1 27 . LYS . 30234 1 28 . ALA . 30234 1 29 . LYS . 30234 1 30 . ILE . 30234 1 31 . GLN . 30234 1 32 . ASP . 30234 1 33 . LYS . 30234 1 34 . GLU . 30234 1 35 . GLY . 30234 1 36 . ILE . 30234 1 37 . PRO . 30234 1 38 . PRO . 30234 1 39 . ASP . 30234 1 40 . GLN . 30234 1 41 . GLN . 30234 1 42 . ARG . 30234 1 43 . LEU . 30234 1 44 . ILE . 30234 1 45 . PHE . 30234 1 46 . ALA . 30234 1 47 . GLY . 30234 1 48 . LYS . 30234 1 49 . GLN . 30234 1 50 . LEU . 30234 1 51 . GLU . 30234 1 52 . ASP . 30234 1 53 . GLY . 30234 1 54 . ARG . 30234 1 55 . THR . 30234 1 56 . LEU . 30234 1 57 . SER . 30234 1 58 . ASP . 30234 1 59 . TYR . 30234 1 60 . ASN . 30234 1 61 . ILE . 30234 1 62 . GLN . 30234 1 63 . LYS . 30234 1 64 . GLU . 30234 1 65 . SER . 30234 1 66 . THR . 30234 1 67 . LEU . 30234 1 68 . HIS . 30234 1 69 . LEU . 30234 1 70 . VAL . 30234 1 71 . LEU . 30234 1 72 . ARG . 30234 1 73 . LEU . 30234 1 74 . ARG . 30234 1 75 . GLY . 30234 1 76 . GLY . 30234 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 30234 1 . GLN 2 2 30234 1 . ILE 3 3 30234 1 . PHE 4 4 30234 1 . VAL 5 5 30234 1 . LYS 6 6 30234 1 . THR 7 7 30234 1 . LEU 8 8 30234 1 . THR 9 9 30234 1 . GLY 10 10 30234 1 . LYS 11 11 30234 1 . THR 12 12 30234 1 . ILE 13 13 30234 1 . THR 14 14 30234 1 . LEU 15 15 30234 1 . GLU 16 16 30234 1 . VAL 17 17 30234 1 . GLU 18 18 30234 1 . PRO 19 19 30234 1 . SER 20 20 30234 1 . ASP 21 21 30234 1 . THR 22 22 30234 1 . ILE 23 23 30234 1 . GLU 24 24 30234 1 . ASN 25 25 30234 1 . VAL 26 26 30234 1 . LYS 27 27 30234 1 . ALA 28 28 30234 1 . LYS 29 29 30234 1 . ILE 30 30 30234 1 . GLN 31 31 30234 1 . ASP 32 32 30234 1 . LYS 33 33 30234 1 . GLU 34 34 30234 1 . GLY 35 35 30234 1 . ILE 36 36 30234 1 . PRO 37 37 30234 1 . PRO 38 38 30234 1 . ASP 39 39 30234 1 . GLN 40 40 30234 1 . GLN 41 41 30234 1 . ARG 42 42 30234 1 . LEU 43 43 30234 1 . ILE 44 44 30234 1 . PHE 45 45 30234 1 . ALA 46 46 30234 1 . GLY 47 47 30234 1 . LYS 48 48 30234 1 . GLN 49 49 30234 1 . LEU 50 50 30234 1 . GLU 51 51 30234 1 . ASP 52 52 30234 1 . GLY 53 53 30234 1 . ARG 54 54 30234 1 . THR 55 55 30234 1 . LEU 56 56 30234 1 . SER 57 57 30234 1 . ASP 58 58 30234 1 . TYR 59 59 30234 1 . ASN 60 60 30234 1 . ILE 61 61 30234 1 . GLN 62 62 30234 1 . LYS 63 63 30234 1 . GLU 64 64 30234 1 . SER 65 65 30234 1 . THR 66 66 30234 1 . LEU 67 67 30234 1 . HIS 68 68 30234 1 . LEU 69 69 30234 1 . VAL 70 70 30234 1 . LEU 71 71 30234 1 . ARG 72 72 30234 1 . LEU 73 73 30234 1 . ARG 74 74 30234 1 . GLY 75 75 30234 1 . GLY 76 76 30234 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 30234 _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 . . . . . . . . . . . UBB . 30234 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 30234 _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' . . 562 Escherichia coli . . . . . . . . . . 30234 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30234 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 uM [U-99% 15N] K27-diubiquitin, Distal Ub is 15N-labelled Proximal Ub is not enriched, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _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 'K27-diubiquitin, Distal Ub is 15N-labelled Proximal Ub is not enriched' '[U-99% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 30234 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30234 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 uM [U-99% 15N] K27-diubiquitin, Distal Ub is not enriched Proximal Ub is 15N-labelled, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _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 'K27-diubiquitin, Distal Ub is not enriched Proximal Ub is 15N-labelled' '[U-99% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 30234 2 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 30234 _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' 20 . mM 30234 1 pH 6.8 . pH 30234 1 pressure 1 . atm 30234 1 temperature 296 . K 30234 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30234 _Sample_condition_list.ID 2 _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' 20 . mM 30234 2 pH 6.8 . pH 30234 2 pressure 1 . atm 30234 2 temperature 296 . K 30234 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30234 _Software.ID 1 _Software.Name ARMOR _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Berlin K, Castaneda CA, Fushman D.' . . 30234 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30234 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30234 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30234 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30234 2 'peak picking' 30234 2 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 30234 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30234 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30234 _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 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 30234 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 30234 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 30234 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30234 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30234 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30234 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30234 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30234 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30234 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 30234 _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 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 30234 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.10132912 . . . . . 30234 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 30234 _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 $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 'Chemical shifts are for proximal Ub (chain B in PDB file)' _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' . . . 30234 1 2 '2D 1H-15N HSQC' . . . 30234 1 3 '2D 1H-15N HSQC' . . . 30234 1 4 '2D 1H-15N HSQC' . . . 30234 1 5 '2D 1H-15N HSQC' . . . 30234 1 6 '2D 1H-15N HSQC' . . . 30234 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 . 2 1 2 2 GLN H H 1 8.846 . . . . . . A 2 GLN H . 30234 1 2 . 2 1 2 2 GLN N N 15 123.987 . . . . . . A 2 GLN N . 30234 1 3 . 2 1 3 3 ILE H H 1 8.217 . . . . . . A 3 ILE H . 30234 1 4 . 2 1 3 3 ILE N N 15 116.067 . . . . . . A 3 ILE N . 30234 1 5 . 2 1 4 4 PHE H H 1 8.509 . . . . . . A 4 PHE H . 30234 1 6 . 2 1 4 4 PHE N N 15 119.442 . . . . . . A 4 PHE N . 30234 1 7 . 2 1 5 5 VAL H H 1 9.185 . . . . . . A 5 VAL H . 30234 1 8 . 2 1 5 5 VAL N N 15 122.110 . . . . . . A 5 VAL N . 30234 1 9 . 2 1 6 6 LYS H H 1 8.854 . . . . . . A 6 LYS H . 30234 1 10 . 2 1 6 6 LYS N N 15 128.852 . . . . . . A 6 LYS N . 30234 1 11 . 2 1 7 7 THR H H 1 8.658 . . . . . . A 7 THR H . 30234 1 12 . 2 1 7 7 THR N N 15 116.331 . . . . . . A 7 THR N . 30234 1 13 . 2 1 8 8 LEU H H 1 9.075 . . . . . . A 8 LEU H . 30234 1 14 . 2 1 8 8 LEU N N 15 122.201 . . . . . . A 8 LEU N . 30234 1 15 . 2 1 9 9 THR H H 1 7.521 . . . . . . A 9 THR H . 30234 1 16 . 2 1 9 9 THR N N 15 106.719 . . . . . . A 9 THR N . 30234 1 17 . 2 1 10 10 GLY H H 1 7.723 . . . . . . A 10 GLY H . 30234 1 18 . 2 1 10 10 GLY N N 15 110.172 . . . . . . A 10 GLY N . 30234 1 19 . 2 1 11 11 LYS H H 1 7.161 . . . . . . A 11 LYS H . 30234 1 20 . 2 1 11 11 LYS N N 15 122.776 . . . . . . A 11 LYS N . 30234 1 21 . 2 1 12 12 THR H H 1 8.552 . . . . . . A 12 THR H . 30234 1 22 . 2 1 12 12 THR N N 15 121.525 . . . . . . A 12 THR N . 30234 1 23 . 2 1 13 13 ILE H H 1 9.472 . . . . . . A 13 ILE H . 30234 1 24 . 2 1 13 13 ILE N N 15 128.674 . . . . . . A 13 ILE N . 30234 1 25 . 2 1 14 14 THR H H 1 8.635 . . . . . . A 14 THR H . 30234 1 26 . 2 1 14 14 THR N N 15 122.421 . . . . . . A 14 THR N . 30234 1 27 . 2 1 15 15 LEU H H 1 8.633 . . . . . . A 15 LEU H . 30234 1 28 . 2 1 15 15 LEU N N 15 126.146 . . . . . . A 15 LEU N . 30234 1 29 . 2 1 16 16 GLU H H 1 8.021 . . . . . . A 16 GLU H . 30234 1 30 . 2 1 16 16 GLU N N 15 123.374 . . . . . . A 16 GLU N . 30234 1 31 . 2 1 17 17 VAL H H 1 8.836 . . . . . . A 17 VAL H . 30234 1 32 . 2 1 17 17 VAL N N 15 118.423 . . . . . . A 17 VAL N . 30234 1 33 . 2 1 18 18 GLU H H 1 8.533 . . . . . . A 18 GLU H . 30234 1 34 . 2 1 18 18 GLU N N 15 120.154 . . . . . . A 18 GLU N . 30234 1 35 . 2 1 20 20 SER H H 1 6.919 . . . . . . A 20 SER H . 30234 1 36 . 2 1 20 20 SER N N 15 104.304 . . . . . . A 20 SER N . 30234 1 37 . 2 1 21 21 ASP H H 1 7.916 . . . . . . A 21 ASP H . 30234 1 38 . 2 1 21 21 ASP N N 15 124.756 . . . . . . A 21 ASP N . 30234 1 39 . 2 1 22 22 THR H H 1 7.813 . . . . . . A 22 THR H . 30234 1 40 . 2 1 22 22 THR N N 15 109.795 . . . . . . A 22 THR N . 30234 1 41 . 2 1 23 23 ILE H H 1 8.396 . . . . . . A 23 ILE H . 30234 1 42 . 2 1 23 23 ILE N N 15 121.661 . . . . . . A 23 ILE N . 30234 1 43 . 2 1 24 24 GLU H H 1 9.513 . . . . . . A 24 GLU H . 30234 1 44 . 2 1 24 24 GLU N N 15 121.483 . . . . . . A 24 GLU N . 30234 1 45 . 2 1 25 25 ASN H H 1 7.770 . . . . . . A 25 ASN H . 30234 1 46 . 2 1 25 25 ASN N N 15 121.628 . . . . . . A 25 ASN N . 30234 1 47 . 2 1 26 26 VAL H H 1 7.967 . . . . . . A 26 VAL H . 30234 1 48 . 2 1 26 26 VAL N N 15 122.674 . . . . . . A 26 VAL N . 30234 1 49 . 2 1 28 28 ALA H H 1 7.880 . . . . . . A 28 ALA H . 30234 1 50 . 2 1 28 28 ALA N N 15 124.144 . . . . . . A 28 ALA N . 30234 1 51 . 2 1 29 29 LYS H H 1 7.712 . . . . . . A 29 LYS H . 30234 1 52 . 2 1 29 29 LYS N N 15 121.063 . . . . . . A 29 LYS N . 30234 1 53 . 2 1 30 30 ILE H H 1 8.179 . . . . . . A 30 ILE H . 30234 1 54 . 2 1 30 30 ILE N N 15 122.382 . . . . . . A 30 ILE N . 30234 1 55 . 2 1 31 31 GLN H H 1 8.435 . . . . . . A 31 GLN H . 30234 1 56 . 2 1 31 31 GLN N N 15 124.464 . . . . . . A 31 GLN N . 30234 1 57 . 2 1 32 32 ASP H H 1 7.879 . . . . . . A 32 ASP H . 30234 1 58 . 2 1 32 32 ASP N N 15 120.569 . . . . . . A 32 ASP N . 30234 1 59 . 2 1 33 33 LYS H H 1 7.343 . . . . . . A 33 LYS H . 30234 1 60 . 2 1 33 33 LYS N N 15 116.482 . . . . . . A 33 LYS N . 30234 1 61 . 2 1 34 34 GLU H H 1 8.635 . . . . . . A 34 GLU H . 30234 1 62 . 2 1 34 34 GLU N N 15 115.306 . . . . . . A 34 GLU N . 30234 1 63 . 2 1 35 35 GLY H H 1 8.365 . . . . . . A 35 GLY H . 30234 1 64 . 2 1 35 35 GLY N N 15 109.813 . . . . . . A 35 GLY N . 30234 1 65 . 2 1 36 36 ILE H H 1 6.110 . . . . . . A 36 ILE H . 30234 1 66 . 2 1 36 36 ILE N N 15 121.276 . . . . . . A 36 ILE N . 30234 1 67 . 2 1 39 39 ASP H H 1 8.253 . . . . . . A 39 ASP H . 30234 1 68 . 2 1 39 39 ASP N N 15 113.520 . . . . . . A 39 ASP N . 30234 1 69 . 2 1 40 40 GLN H H 1 7.749 . . . . . . A 40 GLN H . 30234 1 70 . 2 1 40 40 GLN N N 15 117.647 . . . . . . A 40 GLN N . 30234 1 71 . 2 1 41 41 GLN H H 1 7.357 . . . . . . A 41 GLN H . 30234 1 72 . 2 1 41 41 GLN N N 15 119.784 . . . . . . A 41 GLN N . 30234 1 73 . 2 1 42 42 ARG H H 1 8.167 . . . . . . A 42 ARG H . 30234 1 74 . 2 1 42 42 ARG N N 15 120.155 . . . . . . A 42 ARG N . 30234 1 75 . 2 1 43 43 LEU H H 1 8.714 . . . . . . A 43 LEU H . 30234 1 76 . 2 1 43 43 LEU N N 15 124.885 . . . . . . A 43 LEU N . 30234 1 77 . 2 1 44 44 ILE H H 1 8.990 . . . . . . A 44 ILE H . 30234 1 78 . 2 1 44 44 ILE N N 15 122.790 . . . . . . A 44 ILE N . 30234 1 79 . 2 1 45 45 PHE H H 1 8.703 . . . . . . A 45 PHE H . 30234 1 80 . 2 1 45 45 PHE N N 15 125.523 . . . . . . A 45 PHE N . 30234 1 81 . 2 1 46 46 ALA H H 1 9.102 . . . . . . A 46 ALA H . 30234 1 82 . 2 1 46 46 ALA N N 15 134.427 . . . . . . A 46 ALA N . 30234 1 83 . 2 1 47 47 GLY H H 1 7.976 . . . . . . A 47 GLY H . 30234 1 84 . 2 1 47 47 GLY N N 15 103.411 . . . . . . A 47 GLY N . 30234 1 85 . 2 1 48 48 LYS H H 1 7.889 . . . . . . A 48 LYS H . 30234 1 86 . 2 1 48 48 LYS N N 15 122.952 . . . . . . A 48 LYS N . 30234 1 87 . 2 1 49 49 GLN H H 1 8.486 . . . . . . A 49 GLN H . 30234 1 88 . 2 1 49 49 GLN N N 15 123.799 . . . . . . A 49 GLN N . 30234 1 89 . 2 1 50 50 LEU H H 1 8.357 . . . . . . A 50 LEU H . 30234 1 90 . 2 1 50 50 LEU N N 15 126.378 . . . . . . A 50 LEU N . 30234 1 91 . 2 1 51 51 GLU H H 1 8.050 . . . . . . A 51 GLU H . 30234 1 92 . 2 1 51 51 GLU N N 15 121.611 . . . . . . A 51 GLU N . 30234 1 93 . 2 1 52 52 ASP H H 1 8.118 . . . . . . A 52 ASP H . 30234 1 94 . 2 1 52 52 ASP N N 15 121.442 . . . . . . A 52 ASP N . 30234 1 95 . 2 1 54 54 ARG H H 1 7.286 . . . . . . A 54 ARG H . 30234 1 96 . 2 1 54 54 ARG N N 15 120.104 . . . . . . A 54 ARG N . 30234 1 97 . 2 1 55 55 THR H H 1 8.710 . . . . . . A 55 THR H . 30234 1 98 . 2 1 55 55 THR N N 15 110.096 . . . . . . A 55 THR N . 30234 1 99 . 2 1 56 56 LEU H H 1 8.091 . . . . . . A 56 LEU H . 30234 1 100 . 2 1 56 56 LEU N N 15 118.769 . . . . . . A 56 LEU N . 30234 1 101 . 2 1 57 57 SER H H 1 8.388 . . . . . . A 57 SER H . 30234 1 102 . 2 1 57 57 SER N N 15 114.290 . . . . . . A 57 SER N . 30234 1 103 . 2 1 58 58 ASP H H 1 7.798 . . . . . . A 58 ASP H . 30234 1 104 . 2 1 58 58 ASP N N 15 125.354 . . . . . . A 58 ASP N . 30234 1 105 . 2 1 59 59 TYR H H 1 7.163 . . . . . . A 59 TYR H . 30234 1 106 . 2 1 59 59 TYR N N 15 116.778 . . . . . . A 59 TYR N . 30234 1 107 . 2 1 60 60 ASN H H 1 8.031 . . . . . . A 60 ASN H . 30234 1 108 . 2 1 60 60 ASN N N 15 116.738 . . . . . . A 60 ASN N . 30234 1 109 . 2 1 61 61 ILE H H 1 7.133 . . . . . . A 61 ILE H . 30234 1 110 . 2 1 61 61 ILE N N 15 119.961 . . . . . . A 61 ILE N . 30234 1 111 . 2 1 62 62 GLN H H 1 7.532 . . . . . . A 62 GLN H . 30234 1 112 . 2 1 62 62 GLN N N 15 125.876 . . . . . . A 62 GLN N . 30234 1 113 . 2 1 63 63 LYS H H 1 8.376 . . . . . . A 63 LYS H . 30234 1 114 . 2 1 63 63 LYS N N 15 121.409 . . . . . . A 63 LYS N . 30234 1 115 . 2 1 64 64 GLU H H 1 9.243 . . . . . . A 64 GLU H . 30234 1 116 . 2 1 64 64 GLU N N 15 115.742 . . . . . . A 64 GLU N . 30234 1 117 . 2 1 65 65 SER H H 1 7.626 . . . . . . A 65 SER H . 30234 1 118 . 2 1 65 65 SER N N 15 116.019 . . . . . . A 65 SER N . 30234 1 119 . 2 1 66 66 THR H H 1 8.623 . . . . . . A 66 THR H . 30234 1 120 . 2 1 66 66 THR N N 15 118.232 . . . . . . A 66 THR N . 30234 1 121 . 2 1 67 67 LEU H H 1 9.312 . . . . . . A 67 LEU H . 30234 1 122 . 2 1 67 67 LEU N N 15 128.917 . . . . . . A 67 LEU N . 30234 1 123 . 2 1 68 68 HIS H H 1 9.150 . . . . . . A 68 HIS H . 30234 1 124 . 2 1 68 68 HIS N N 15 120.468 . . . . . . A 68 HIS N . 30234 1 125 . 2 1 69 69 LEU H H 1 8.140 . . . . . . A 69 LEU H . 30234 1 126 . 2 1 69 69 LEU N N 15 124.353 . . . . . . A 69 LEU N . 30234 1 127 . 2 1 70 70 VAL H H 1 9.063 . . . . . . A 70 VAL H . 30234 1 128 . 2 1 70 70 VAL N N 15 126.657 . . . . . . A 70 VAL N . 30234 1 129 . 2 1 71 71 LEU H H 1 7.922 . . . . . . A 71 LEU H . 30234 1 130 . 2 1 71 71 LEU N N 15 122.979 . . . . . . A 71 LEU N . 30234 1 131 . 2 1 72 72 ARG H H 1 8.435 . . . . . . A 72 ARG H . 30234 1 132 . 2 1 72 72 ARG N N 15 124.464 . . . . . . A 72 ARG N . 30234 1 133 . 2 1 73 73 LEU H H 1 8.230 . . . . . . A 73 LEU H . 30234 1 134 . 2 1 73 73 LEU N N 15 125.317 . . . . . . A 73 LEU N . 30234 1 135 . 2 1 74 74 ARG H H 1 8.350 . . . . . . A 74 ARG H . 30234 1 136 . 2 1 74 74 ARG N N 15 122.936 . . . . . . A 74 ARG N . 30234 1 137 . 2 1 75 75 GLY H H 1 8.408 . . . . . . A 75 GLY H . 30234 1 138 . 2 1 75 75 GLY N N 15 112.023 . . . . . . A 75 GLY N . 30234 1 139 . 2 1 76 76 GLY H H 1 7.851 . . . . . . A 76 GLY H . 30234 1 140 . 2 1 76 76 GLY N N 15 115.954 . . . . . . A 76 GLY N . 30234 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30234 _Assigned_chem_shift_list.ID 2 _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 'Chemical shifts are for distal Ub (chain A in PDB file)' _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' . . . 30234 2 2 '2D 1H-15N HSQC' . . . 30234 2 3 '2D 1H-15N HSQC' . . . 30234 2 4 '2D 1H-15N HSQC' . . . 30234 2 5 '2D 1H-15N HSQC' . . . 30234 2 6 '2D 1H-15N HSQC' . . . 30234 2 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 2 2 GLN H H 1 8.850 . . . . . . A 2 GLN H . 30234 2 2 . 1 1 2 2 GLN N N 15 123.695 . . . . . . A 2 GLN N . 30234 2 3 . 1 1 3 3 ILE H H 1 8.196 . . . . . . A 3 ILE H . 30234 2 4 . 1 1 3 3 ILE N N 15 115.930 . . . . . . A 3 ILE N . 30234 2 5 . 1 1 4 4 PHE H H 1 8.505 . . . . . . A 4 PHE H . 30234 2 6 . 1 1 4 4 PHE N N 15 119.480 . . . . . . A 4 PHE N . 30234 2 7 . 1 1 5 5 VAL H H 1 9.183 . . . . . . A 5 VAL H . 30234 2 8 . 1 1 5 5 VAL N N 15 122.105 . . . . . . A 5 VAL N . 30234 2 9 . 1 1 6 6 LYS H H 1 8.863 . . . . . . A 6 LYS H . 30234 2 10 . 1 1 6 6 LYS N N 15 128.902 . . . . . . A 6 LYS N . 30234 2 11 . 1 1 7 7 THR H H 1 8.643 . . . . . . A 7 THR H . 30234 2 12 . 1 1 7 7 THR N N 15 116.369 . . . . . . A 7 THR N . 30234 2 13 . 1 1 8 8 LEU H H 1 9.043 . . . . . . A 8 LEU H . 30234 2 14 . 1 1 8 8 LEU N N 15 122.122 . . . . . . A 8 LEU N . 30234 2 15 . 1 1 9 9 THR H H 1 7.520 . . . . . . A 9 THR H . 30234 2 16 . 1 1 9 9 THR N N 15 106.620 . . . . . . A 9 THR N . 30234 2 17 . 1 1 10 10 GLY H H 1 7.720 . . . . . . A 10 GLY H . 30234 2 18 . 1 1 10 10 GLY N N 15 110.150 . . . . . . A 10 GLY N . 30234 2 19 . 1 1 11 11 LYS H H 1 7.158 . . . . . . A 11 LYS H . 30234 2 20 . 1 1 11 11 LYS N N 15 122.809 . . . . . . A 11 LYS N . 30234 2 21 . 1 1 12 12 THR H H 1 8.546 . . . . . . A 12 THR H . 30234 2 22 . 1 1 12 12 THR N N 15 121.496 . . . . . . A 12 THR N . 30234 2 23 . 1 1 13 13 ILE H H 1 9.457 . . . . . . A 13 ILE H . 30234 2 24 . 1 1 13 13 ILE N N 15 128.559 . . . . . . A 13 ILE N . 30234 2 25 . 1 1 14 14 THR H H 1 8.641 . . . . . . A 14 THR H . 30234 2 26 . 1 1 14 14 THR N N 15 122.432 . . . . . . A 14 THR N . 30234 2 27 . 1 1 15 15 LEU H H 1 8.639 . . . . . . A 15 LEU H . 30234 2 28 . 1 1 15 15 LEU N N 15 126.056 . . . . . . A 15 LEU N . 30234 2 29 . 1 1 16 16 GLU H H 1 8.018 . . . . . . A 16 GLU H . 30234 2 30 . 1 1 16 16 GLU N N 15 123.361 . . . . . . A 16 GLU N . 30234 2 31 . 1 1 17 17 VAL H H 1 8.838 . . . . . . A 17 VAL H . 30234 2 32 . 1 1 17 17 VAL N N 15 118.436 . . . . . . A 17 VAL N . 30234 2 33 . 1 1 18 18 GLU H H 1 8.545 . . . . . . A 18 GLU H . 30234 2 34 . 1 1 18 18 GLU N N 15 120.162 . . . . . . A 18 GLU N . 30234 2 35 . 1 1 20 20 SER H H 1 6.922 . . . . . . A 20 SER H . 30234 2 36 . 1 1 20 20 SER N N 15 104.271 . . . . . . A 20 SER N . 30234 2 37 . 1 1 21 21 ASP H H 1 7.948 . . . . . . A 21 ASP H . 30234 2 38 . 1 1 21 21 ASP N N 15 124.854 . . . . . . A 21 ASP N . 30234 2 39 . 1 1 22 22 THR H H 1 7.785 . . . . . . A 22 THR H . 30234 2 40 . 1 1 22 22 THR N N 15 109.932 . . . . . . A 22 THR N . 30234 2 41 . 1 1 23 23 ILE H H 1 8.414 . . . . . . A 23 ILE H . 30234 2 42 . 1 1 23 23 ILE N N 15 122.131 . . . . . . A 23 ILE N . 30234 2 43 . 1 1 25 25 ASN H H 1 7.825 . . . . . . A 25 ASN H . 30234 2 44 . 1 1 25 25 ASN N N 15 122.373 . . . . . . A 25 ASN N . 30234 2 45 . 1 1 26 26 VAL H H 1 8.010 . . . . . . A 26 VAL H . 30234 2 46 . 1 1 26 26 VAL N N 15 123.099 . . . . . . A 26 VAL N . 30234 2 47 . 1 1 27 27 LYS H H 1 8.454 . . . . . . A 27 LYS H . 30234 2 48 . 1 1 27 27 LYS N N 15 119.876 . . . . . . A 27 LYS N . 30234 2 49 . 1 1 28 28 ALA H H 1 7.862 . . . . . . A 28 ALA H . 30234 2 50 . 1 1 28 28 ALA N N 15 124.385 . . . . . . A 28 ALA N . 30234 2 51 . 1 1 29 29 LYS H H 1 7.758 . . . . . . A 29 LYS H . 30234 2 52 . 1 1 29 29 LYS N N 15 121.169 . . . . . . A 29 LYS N . 30234 2 53 . 1 1 30 30 ILE H H 1 8.185 . . . . . . A 30 ILE H . 30234 2 54 . 1 1 30 30 ILE N N 15 122.289 . . . . . . A 30 ILE N . 30234 2 55 . 1 1 31 31 GLN H H 1 8.451 . . . . . . A 31 GLN H . 30234 2 56 . 1 1 31 31 GLN N N 15 124.473 . . . . . . A 31 GLN N . 30234 2 57 . 1 1 32 32 ASP H H 1 7.919 . . . . . . A 32 ASP H . 30234 2 58 . 1 1 32 32 ASP N N 15 120.662 . . . . . . A 32 ASP N . 30234 2 59 . 1 1 33 33 LYS H H 1 7.319 . . . . . . A 33 LYS H . 30234 2 60 . 1 1 33 33 LYS N N 15 116.368 . . . . . . A 33 LYS N . 30234 2 61 . 1 1 34 34 GLU H H 1 8.622 . . . . . . A 34 GLU H . 30234 2 62 . 1 1 34 34 GLU N N 15 115.220 . . . . . . A 34 GLU N . 30234 2 63 . 1 1 35 35 GLY H H 1 8.394 . . . . . . A 35 GLY H . 30234 2 64 . 1 1 35 35 GLY N N 15 109.803 . . . . . . A 35 GLY N . 30234 2 65 . 1 1 36 36 ILE H H 1 6.045 . . . . . . A 36 ILE H . 30234 2 66 . 1 1 36 36 ILE N N 15 121.205 . . . . . . A 36 ILE N . 30234 2 67 . 1 1 39 39 ASP H H 1 8.430 . . . . . . A 39 ASP H . 30234 2 68 . 1 1 39 39 ASP N N 15 114.555 . . . . . . A 39 ASP N . 30234 2 69 . 1 1 40 40 GLN H H 1 7.723 . . . . . . A 40 GLN H . 30234 2 70 . 1 1 40 40 GLN N N 15 117.719 . . . . . . A 40 GLN N . 30234 2 71 . 1 1 41 41 GLN H H 1 7.388 . . . . . . A 41 GLN H . 30234 2 72 . 1 1 41 41 GLN N N 15 119.065 . . . . . . A 41 GLN N . 30234 2 73 . 1 1 42 42 ARG H H 1 8.393 . . . . . . A 42 ARG H . 30234 2 74 . 1 1 42 42 ARG N N 15 124.101 . . . . . . A 42 ARG N . 30234 2 75 . 1 1 43 43 LEU H H 1 8.719 . . . . . . A 43 LEU H . 30234 2 76 . 1 1 43 43 LEU N N 15 125.380 . . . . . . A 43 LEU N . 30234 2 77 . 1 1 44 44 ILE H H 1 9.023 . . . . . . A 44 ILE H . 30234 2 78 . 1 1 44 44 ILE N N 15 123.175 . . . . . . A 44 ILE N . 30234 2 79 . 1 1 45 45 PHE H H 1 8.741 . . . . . . A 45 PHE H . 30234 2 80 . 1 1 45 45 PHE N N 15 125.744 . . . . . . A 45 PHE N . 30234 2 81 . 1 1 46 46 ALA H H 1 8.909 . . . . . . A 46 ALA H . 30234 2 82 . 1 1 46 46 ALA N N 15 133.953 . . . . . . A 46 ALA N . 30234 2 83 . 1 1 47 47 GLY H H 1 7.998 . . . . . . A 47 GLY H . 30234 2 84 . 1 1 47 47 GLY N N 15 103.339 . . . . . . A 47 GLY N . 30234 2 85 . 1 1 48 48 LYS H H 1 7.857 . . . . . . A 48 LYS H . 30234 2 86 . 1 1 48 48 LYS N N 15 122.911 . . . . . . A 48 LYS N . 30234 2 87 . 1 1 49 49 GLN H H 1 8.567 . . . . . . A 49 GLN H . 30234 2 88 . 1 1 49 49 GLN N N 15 124.108 . . . . . . A 49 GLN N . 30234 2 89 . 1 1 50 50 LEU H H 1 8.457 . . . . . . A 50 LEU H . 30234 2 90 . 1 1 50 50 LEU N N 15 126.595 . . . . . . A 50 LEU N . 30234 2 91 . 1 1 51 51 GLU H H 1 8.295 . . . . . . A 51 GLU H . 30234 2 92 . 1 1 51 51 GLU N N 15 124.017 . . . . . . A 51 GLU N . 30234 2 93 . 1 1 52 52 ASP H H 1 8.071 . . . . . . A 52 ASP H . 30234 2 94 . 1 1 52 52 ASP N N 15 121.323 . . . . . . A 52 ASP N . 30234 2 95 . 1 1 54 54 ARG H H 1 7.359 . . . . . . A 54 ARG H . 30234 2 96 . 1 1 54 54 ARG N N 15 120.272 . . . . . . A 54 ARG N . 30234 2 97 . 1 1 55 55 THR H H 1 8.729 . . . . . . A 55 THR H . 30234 2 98 . 1 1 55 55 THR N N 15 109.712 . . . . . . A 55 THR N . 30234 2 99 . 1 1 56 56 LEU H H 1 8.041 . . . . . . A 56 LEU H . 30234 2 100 . 1 1 56 56 LEU N N 15 118.916 . . . . . . A 56 LEU N . 30234 2 101 . 1 1 57 57 SER H H 1 8.384 . . . . . . A 57 SER H . 30234 2 102 . 1 1 57 57 SER N N 15 114.409 . . . . . . A 57 SER N . 30234 2 103 . 1 1 58 58 ASP H H 1 7.833 . . . . . . A 58 ASP H . 30234 2 104 . 1 1 58 58 ASP N N 15 125.466 . . . . . . A 58 ASP N . 30234 2 105 . 1 1 59 59 TYR H H 1 7.150 . . . . . . A 59 TYR H . 30234 2 106 . 1 1 59 59 TYR N N 15 116.680 . . . . . . A 59 TYR N . 30234 2 107 . 1 1 60 60 ASN H H 1 8.047 . . . . . . A 60 ASN H . 30234 2 108 . 1 1 60 60 ASN N N 15 116.907 . . . . . . A 60 ASN N . 30234 2 109 . 1 1 61 61 ILE H H 1 7.142 . . . . . . A 61 ILE H . 30234 2 110 . 1 1 61 61 ILE N N 15 119.823 . . . . . . A 61 ILE N . 30234 2 111 . 1 1 62 62 GLN H H 1 7.519 . . . . . . A 62 GLN H . 30234 2 112 . 1 1 62 62 GLN N N 15 125.839 . . . . . . A 62 GLN N . 30234 2 113 . 1 1 63 63 LYS H H 1 8.399 . . . . . . A 63 LYS H . 30234 2 114 . 1 1 63 63 LYS N N 15 121.502 . . . . . . A 63 LYS N . 30234 2 115 . 1 1 64 64 GLU H H 1 9.223 . . . . . . A 64 GLU H . 30234 2 116 . 1 1 64 64 GLU N N 15 115.527 . . . . . . A 64 GLU N . 30234 2 117 . 1 1 65 65 SER H H 1 7.557 . . . . . . A 65 SER H . 30234 2 118 . 1 1 65 65 SER N N 15 115.877 . . . . . . A 65 SER N . 30234 2 119 . 1 1 66 66 THR H H 1 8.615 . . . . . . A 66 THR H . 30234 2 120 . 1 1 66 66 THR N N 15 118.337 . . . . . . A 66 THR N . 30234 2 121 . 1 1 67 67 LEU H H 1 9.304 . . . . . . A 67 LEU H . 30234 2 122 . 1 1 67 67 LEU N N 15 128.731 . . . . . . A 67 LEU N . 30234 2 123 . 1 1 68 68 HIS H H 1 9.110 . . . . . . A 68 HIS H . 30234 2 124 . 1 1 68 68 HIS N N 15 120.477 . . . . . . A 68 HIS N . 30234 2 125 . 1 1 69 69 LEU H H 1 8.165 . . . . . . A 69 LEU H . 30234 2 126 . 1 1 69 69 LEU N N 15 124.627 . . . . . . A 69 LEU N . 30234 2 127 . 1 1 70 70 VAL H H 1 9.055 . . . . . . A 70 VAL H . 30234 2 128 . 1 1 70 70 VAL N N 15 127.105 . . . . . . A 70 VAL N . 30234 2 129 . 1 1 71 71 LEU H H 1 8.016 . . . . . . A 71 LEU H . 30234 2 130 . 1 1 71 71 LEU N N 15 123.833 . . . . . . A 71 LEU N . 30234 2 131 . 1 1 72 72 ARG H H 1 8.479 . . . . . . A 72 ARG H . 30234 2 132 . 1 1 72 72 ARG N N 15 124.558 . . . . . . A 72 ARG N . 30234 2 133 . 1 1 73 73 LEU H H 1 8.317 . . . . . . A 73 LEU H . 30234 2 134 . 1 1 73 73 LEU N N 15 125.809 . . . . . . A 73 LEU N . 30234 2 135 . 1 1 74 74 ARG H H 1 8.406 . . . . . . A 74 ARG H . 30234 2 136 . 1 1 74 74 ARG N N 15 122.926 . . . . . . A 74 ARG N . 30234 2 137 . 1 1 75 75 GLY H H 1 8.424 . . . . . . A 75 GLY H . 30234 2 138 . 1 1 75 75 GLY N N 15 111.361 . . . . . . A 75 GLY N . 30234 2 139 . 1 1 76 76 GLY H H 1 8.379 . . . . . . A 76 GLY H . 30234 2 140 . 1 1 76 76 GLY N N 15 111.174 . . . . . . A 76 GLY N . 30234 2 stop_ save_