data_11568 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11568 _Entry.Title ; RPEL3 motif of MKL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-18 _Entry.Accession_date 2014-04-18 _Entry.Last_release_date 2014-04-18 _Entry.Original_release_date 2014-04-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Mineyuki Mizuguchi . . . . 11568 2 Takahiro Fuju . . . . 11568 3 Takayuki Obita . . . . 11568 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11568 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 59 11568 '15N chemical shifts' 27 11568 '1H chemical shifts' 27 11568 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 . . 2017-03-08 . original BMRB . 11568 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11564 'RPEL motif of MKL1' 11568 BMRB 11565 'L94P-RPEL1 motif of MKL1' 11568 BMRB 11566 'L105P-RPEL1 motif of MKL1' 11568 BMRB 11567 'RPEL2 motif of MKL1' 11568 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11568 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep05224 _Citation.PubMed_ID 24909411 _Citation.Full_citation . _Citation.Title ; Transient alpha-helices in the disordered RPEL motifs of the serum response factor coactivator MKL1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 5224 _Citation.Page_last 5224 _Citation.Year 2014 _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 Mineyuki Mizuguchi . . . . 11568 1 2 Takahiro Fuju . . . . 11568 1 3 Takayuki Obita . . . . 11568 1 4 Mitsuru Ishikawa . . . . 11568 1 5 Masaaki Tsuda . . . . 11568 1 6 Akiko Tabuchi . . . . 11568 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11568 _Assembly.ID 1 _Assembly.Name 'RPEL motif of rat MKL1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 4012.6 _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 RPEL3 1 $MKL1 A . yes 'intrinsically disordered' no no . . . 11568 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MKL1 _Entity.Sf_category entity _Entity.Sf_framecode MKL1 _Entity.Entry_ID 11568 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MKL1 _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 ; GPHMRARLADDLNEKIAQRP GPMELVEKNILPVESS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the RPEL motif of rat MKL1 protein.' _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment RPEL3 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes GB BAN82605.1 . . . . . . . . . . . . . . . . 11568 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID G-actin-binding 11568 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 -4 GLY . 11568 1 2 -3 PRO . 11568 1 3 -2 HIS . 11568 1 4 -1 MET . 11568 1 5 173 ARG . 11568 1 6 174 ALA . 11568 1 7 175 ARG . 11568 1 8 176 LEU . 11568 1 9 177 ALA . 11568 1 10 178 ASP . 11568 1 11 179 ASP . 11568 1 12 180 LEU . 11568 1 13 181 ASN . 11568 1 14 182 GLU . 11568 1 15 183 LYS . 11568 1 16 184 ILE . 11568 1 17 185 ALA . 11568 1 18 186 GLN . 11568 1 19 187 ARG . 11568 1 20 188 PRO . 11568 1 21 189 GLY . 11568 1 22 190 PRO . 11568 1 23 191 MET . 11568 1 24 192 GLU . 11568 1 25 193 LEU . 11568 1 26 194 VAL . 11568 1 27 195 GLU . 11568 1 28 196 LYS . 11568 1 29 197 ASN . 11568 1 30 198 ILE . 11568 1 31 199 LEU . 11568 1 32 200 PRO . 11568 1 33 201 VAL . 11568 1 34 202 GLU . 11568 1 35 203 SER . 11568 1 36 204 SER . 11568 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 . GLY 1 1 11568 1 . PRO 2 2 11568 1 . HIS 3 3 11568 1 . MET 4 4 11568 1 . ARG 5 5 11568 1 . ALA 6 6 11568 1 . ARG 7 7 11568 1 . LEU 8 8 11568 1 . ALA 9 9 11568 1 . ASP 10 10 11568 1 . ASP 11 11 11568 1 . LEU 12 12 11568 1 . ASN 13 13 11568 1 . GLU 14 14 11568 1 . LYS 15 15 11568 1 . ILE 16 16 11568 1 . ALA 17 17 11568 1 . GLN 18 18 11568 1 . ARG 19 19 11568 1 . PRO 20 20 11568 1 . GLY 21 21 11568 1 . PRO 22 22 11568 1 . MET 23 23 11568 1 . GLU 24 24 11568 1 . LEU 25 25 11568 1 . VAL 26 26 11568 1 . GLU 27 27 11568 1 . LYS 28 28 11568 1 . ASN 29 29 11568 1 . ILE 30 30 11568 1 . LEU 31 31 11568 1 . PRO 32 32 11568 1 . VAL 33 33 11568 1 . GLU 34 34 11568 1 . SER 35 35 11568 1 . SER 36 36 11568 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 11568 _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 $MKL1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 11568 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 11568 _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 $MKL1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pOP3C . . . 11568 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11568 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 MKL1 '[U-100% 13C; U-100% 15N]' . . 1 $MKL1 . protein . 0.12 0.50 mM . . . . 11568 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 11568 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11568 1 4 D2O '[U-100% 2H]' . . . . . solvent 7 . . % . . . . 11568 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 11568 1 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 11568 1 7 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 11568 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 11568 _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 pH 7.0 . pH 11568 1 pressure 1 . atm 11568 1 temperature 288 . K 11568 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11568 _Software.ID 1 _Software.Name NMRView _Software.Version 8.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11568 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11568 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11568 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11568 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11568 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 11568 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11568 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11568 1 3 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11568 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11568 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11568 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11568 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11568 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11568 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11568 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11568 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11568 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11568 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11568 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11568 1 3 '3D CBCANH' 1 $sample_1 isotropic 11568 1 4 '3D HNCO' 1 $sample_1 isotropic 11568 1 5 '3D HN(CA)CO' 1 $sample_1 isotropic 11568 1 6 '3D HNCA' 1 $sample_1 isotropic 11568 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 11568 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 ARG H H 1 8.524 0.03 . . . . . . 173 ARG H . 11568 1 2 . 1 1 5 5 ARG CA C 13 55.875 0.12 . . . . . . 173 ARG CA . 11568 1 3 . 1 1 5 5 ARG CB C 13 30.908 0.12 . . . . . . 173 ARG CB . 11568 1 4 . 1 1 5 5 ARG N N 15 123.067 0.15 . . . . . . 173 ARG N . 11568 1 5 . 1 1 6 6 ALA H H 1 8.445 0.03 . . . . . . 174 ALA H . 11568 1 6 . 1 1 6 6 ALA CA C 13 52.464 0.12 . . . . . . 174 ALA CA . 11568 1 7 . 1 1 6 6 ALA CB C 13 19.246 0.12 . . . . . . 174 ALA CB . 11568 1 8 . 1 1 6 6 ALA N N 15 125.913 0.15 . . . . . . 174 ALA N . 11568 1 9 . 1 1 7 7 ARG H H 1 8.406 0.03 . . . . . . 175 ARG H . 11568 1 10 . 1 1 7 7 ARG CA C 13 55.978 0.12 . . . . . . 175 ARG CA . 11568 1 11 . 1 1 7 7 ARG CB C 13 30.950 0.12 . . . . . . 175 ARG CB . 11568 1 12 . 1 1 7 7 ARG N N 15 120.933 0.15 . . . . . . 175 ARG N . 11568 1 13 . 1 1 8 8 LEU H H 1 8.462 0.03 . . . . . . 176 LEU H . 11568 1 14 . 1 1 8 8 LEU CA C 13 55.270 0.12 . . . . . . 176 LEU CA . 11568 1 15 . 1 1 8 8 LEU CB C 13 42.381 0.12 . . . . . . 176 LEU CB . 11568 1 16 . 1 1 8 8 LEU N N 15 124.291 0.15 . . . . . . 176 LEU N . 11568 1 17 . 1 1 9 9 ALA H H 1 8.360 0.03 . . . . . . 177 ALA H . 11568 1 18 . 1 1 9 9 ALA CA C 13 52.751 0.12 . . . . . . 177 ALA CA . 11568 1 19 . 1 1 9 9 ALA CB C 13 19.246 0.12 . . . . . . 177 ALA CB . 11568 1 20 . 1 1 9 9 ALA N N 15 124.141 0.15 . . . . . . 177 ALA N . 11568 1 21 . 1 1 10 10 ASP H H 1 8.282 0.03 . . . . . . 178 ASP H . 11568 1 22 . 1 1 10 10 ASP CA C 13 54.599 0.12 . . . . . . 178 ASP CA . 11568 1 23 . 1 1 10 10 ASP CB C 13 41.067 0.12 . . . . . . 178 ASP CB . 11568 1 24 . 1 1 10 10 ASP N N 15 119.023 0.15 . . . . . . 178 ASP N . 11568 1 25 . 1 1 11 11 ASP H H 1 8.229 0.03 . . . . . . 179 ASP H . 11568 1 26 . 1 1 11 11 ASP CA C 13 54.430 0.12 . . . . . . 179 ASP CA . 11568 1 27 . 1 1 11 11 ASP CB C 13 40.985 0.12 . . . . . . 179 ASP CB . 11568 1 28 . 1 1 11 11 ASP N N 15 120.180 0.15 . . . . . . 179 ASP N . 11568 1 29 . 1 1 12 12 LEU H H 1 8.242 0.03 . . . . . . 180 LEU H . 11568 1 30 . 1 1 12 12 LEU CA C 13 55.693 0.12 . . . . . . 180 LEU CA . 11568 1 31 . 1 1 12 12 LEU CB C 13 41.845 0.12 . . . . . . 180 LEU CB . 11568 1 32 . 1 1 12 12 LEU N N 15 122.247 0.15 . . . . . . 180 LEU N . 11568 1 33 . 1 1 13 13 ASN H H 1 8.380 0.03 . . . . . . 181 ASN H . 11568 1 34 . 1 1 13 13 ASN CA C 13 53.822 0.12 . . . . . . 181 ASN CA . 11568 1 35 . 1 1 13 13 ASN CB C 13 38.860 0.12 . . . . . . 181 ASN CB . 11568 1 36 . 1 1 13 13 ASN N N 15 118.526 0.15 . . . . . . 181 ASN N . 11568 1 37 . 1 1 14 14 GLU H H 1 8.342 0.03 . . . . . . 182 GLU H . 11568 1 38 . 1 1 14 14 GLU CA C 13 57.067 0.12 . . . . . . 182 GLU CA . 11568 1 39 . 1 1 14 14 GLU CB C 13 30.342 0.12 . . . . . . 182 GLU CB . 11568 1 40 . 1 1 14 14 GLU N N 15 121.212 0.15 . . . . . . 182 GLU N . 11568 1 41 . 1 1 15 15 LYS H H 1 8.326 0.03 . . . . . . 183 LYS H . 11568 1 42 . 1 1 15 15 LYS CA C 13 56.602 0.12 . . . . . . 183 LYS CA . 11568 1 43 . 1 1 15 15 LYS CB C 13 32.833 0.12 . . . . . . 183 LYS CB . 11568 1 44 . 1 1 15 15 LYS N N 15 121.891 0.15 . . . . . . 183 LYS N . 11568 1 45 . 1 1 16 16 ILE H H 1 8.087 0.03 . . . . . . 184 ILE H . 11568 1 46 . 1 1 16 16 ILE CA C 13 61.137 0.12 . . . . . . 184 ILE CA . 11568 1 47 . 1 1 16 16 ILE CB C 13 38.628 0.12 . . . . . . 184 ILE CB . 11568 1 48 . 1 1 16 16 ILE N N 15 121.695 0.15 . . . . . . 184 ILE N . 11568 1 49 . 1 1 17 17 ALA H H 1 8.378 0.03 . . . . . . 185 ALA H . 11568 1 50 . 1 1 17 17 ALA CA C 13 52.540 0.12 . . . . . . 185 ALA CA . 11568 1 51 . 1 1 17 17 ALA CB C 13 19.270 0.12 . . . . . . 185 ALA CB . 11568 1 52 . 1 1 17 17 ALA N N 15 127.914 0.15 . . . . . . 185 ALA N . 11568 1 53 . 1 1 20 20 PRO CA C 13 63.097 0.12 . . . . . . 188 PRO CA . 11568 1 54 . 1 1 20 20 PRO CB C 13 32.403 0.12 . . . . . . 188 PRO CB . 11568 1 55 . 1 1 21 21 GLY H H 1 8.468 0.03 . . . . . . 189 GLY H . 11568 1 56 . 1 1 21 21 GLY CA C 13 44.423 0.12 . . . . . . 189 GLY CA . 11568 1 57 . 1 1 21 21 GLY N N 15 109.750 0.15 . . . . . . 189 GLY N . 11568 1 58 . 1 1 22 22 PRO CA C 13 63.450 0.12 . . . . . . 190 PRO CA . 11568 1 59 . 1 1 22 22 PRO CB C 13 32.245 0.12 . . . . . . 190 PRO CB . 11568 1 60 . 1 1 23 23 MET H H 1 8.600 0.03 . . . . . . 191 MET H . 11568 1 61 . 1 1 23 23 MET CA C 13 55.752 0.12 . . . . . . 191 MET CA . 11568 1 62 . 1 1 23 23 MET CB C 13 32.346 0.12 . . . . . . 191 MET CB . 11568 1 63 . 1 1 23 23 MET N N 15 120.088 0.15 . . . . . . 191 MET N . 11568 1 64 . 1 1 24 24 GLU H H 1 8.374 0.03 . . . . . . 192 GLU H . 11568 1 65 . 1 1 24 24 GLU CA C 13 56.432 0.12 . . . . . . 192 GLU CA . 11568 1 66 . 1 1 24 24 GLU CB C 13 30.391 0.12 . . . . . . 192 GLU CB . 11568 1 67 . 1 1 24 24 GLU N N 15 122.115 0.15 . . . . . . 192 GLU N . 11568 1 68 . 1 1 25 25 LEU H H 1 8.310 0.03 . . . . . . 193 LEU H . 11568 1 69 . 1 1 25 25 LEU CA C 13 55.117 0.12 . . . . . . 193 LEU CA . 11568 1 70 . 1 1 25 25 LEU CB C 13 42.340 0.12 . . . . . . 193 LEU CB . 11568 1 71 . 1 1 25 25 LEU N N 15 123.426 0.15 . . . . . . 193 LEU N . 11568 1 72 . 1 1 26 26 VAL H H 1 8.109 0.03 . . . . . . 194 VAL H . 11568 1 73 . 1 1 26 26 VAL CA C 13 62.241 0.12 . . . . . . 194 VAL CA . 11568 1 74 . 1 1 26 26 VAL CB C 13 32.884 0.12 . . . . . . 194 VAL CB . 11568 1 75 . 1 1 26 26 VAL N N 15 121.749 0.15 . . . . . . 194 VAL N . 11568 1 76 . 1 1 27 27 GLU H H 1 8.550 0.03 . . . . . . 195 GLU H . 11568 1 77 . 1 1 27 27 GLU CA C 13 56.573 0.12 . . . . . . 195 GLU CA . 11568 1 78 . 1 1 27 27 GLU CB C 13 30.414 0.12 . . . . . . 195 GLU CB . 11568 1 79 . 1 1 27 27 GLU N N 15 125.236 0.15 . . . . . . 195 GLU N . 11568 1 80 . 1 1 28 28 LYS H H 1 8.413 0.03 . . . . . . 196 LYS H . 11568 1 81 . 1 1 28 28 LYS CA C 13 56.369 0.12 . . . . . . 196 LYS CA . 11568 1 82 . 1 1 28 28 LYS CB C 13 33.334 0.12 . . . . . . 196 LYS CB . 11568 1 83 . 1 1 28 28 LYS N N 15 122.609 0.15 . . . . . . 196 LYS N . 11568 1 84 . 1 1 29 29 ASN H H 1 8.565 0.03 . . . . . . 197 ASN H . 11568 1 85 . 1 1 29 29 ASN CA C 13 53.379 0.12 . . . . . . 197 ASN CA . 11568 1 86 . 1 1 29 29 ASN CB C 13 38.877 0.12 . . . . . . 197 ASN CB . 11568 1 87 . 1 1 29 29 ASN N N 15 120.075 0.15 . . . . . . 197 ASN N . 11568 1 88 . 1 1 30 30 ILE H H 1 8.180 0.04 . . . . . . 198 ILE H . 11568 1 89 . 1 1 30 30 ILE CA C 13 60.823 0.12 . . . . . . 198 ILE CA . 11568 1 90 . 1 1 30 30 ILE CB C 13 38.710 0.12 . . . . . . 198 ILE CB . 11568 1 91 . 1 1 30 30 ILE N N 15 121.389 0.15 . . . . . . 198 ILE N . 11568 1 92 . 1 1 31 31 LEU H H 1 8.384 0.03 . . . . . . 199 LEU H . 11568 1 93 . 1 1 31 31 LEU CA C 13 52.841 0.12 . . . . . . 199 LEU CA . 11568 1 94 . 1 1 31 31 LEU CB C 13 41.721 0.12 . . . . . . 199 LEU CB . 11568 1 95 . 1 1 31 31 LEU N N 15 128.281 0.15 . . . . . . 199 LEU N . 11568 1 96 . 1 1 32 32 PRO CA C 13 62.803 0.12 . . . . . . 200 PRO CA . 11568 1 97 . 1 1 32 32 PRO CB C 13 32.022 0.12 . . . . . . 200 PRO CB . 11568 1 98 . 1 1 33 33 VAL H H 1 8.325 0.03 . . . . . . 201 VAL H . 11568 1 99 . 1 1 33 33 VAL CA C 13 62.315 0.12 . . . . . . 201 VAL CA . 11568 1 100 . 1 1 33 33 VAL CB C 13 32.495 0.12 . . . . . . 201 VAL CB . 11568 1 101 . 1 1 33 33 VAL N N 15 121.020 0.15 . . . . . . 201 VAL N . 11568 1 102 . 1 1 34 34 GLU H H 1 8.651 0.03 . . . . . . 202 GLU H . 11568 1 103 . 1 1 34 34 GLU CA C 13 56.401 0.12 . . . . . . 202 GLU CA . 11568 1 104 . 1 1 34 34 GLU CB C 13 30.498 0.12 . . . . . . 202 GLU CB . 11568 1 105 . 1 1 34 34 GLU N N 15 125.236 0.15 . . . . . . 202 GLU N . 11568 1 106 . 1 1 35 35 SER H H 1 8.492 0.03 . . . . . . 203 SER H . 11568 1 107 . 1 1 35 35 SER CA C 13 58.321 0.12 . . . . . . 203 SER CA . 11568 1 108 . 1 1 35 35 SER CB C 13 63.880 0.12 . . . . . . 203 SER CB . 11568 1 109 . 1 1 35 35 SER N N 15 117.974 0.15 . . . . . . 203 SER N . 11568 1 110 . 1 1 36 36 SER H H 1 8.124 0.03 . . . . . . 204 SER H . 11568 1 111 . 1 1 36 36 SER CA C 13 59.923 0.12 . . . . . . 204 SER CA . 11568 1 112 . 1 1 36 36 SER CB C 13 64.418 0.12 . . . . . . 204 SER CB . 11568 1 113 . 1 1 36 36 SER N N 15 123.555 0.15 . . . . . . 204 SER N . 11568 1 stop_ save_