data_27225 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27225 _Entry.Title ; hsa-miR-34a-5p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-18 _Entry.Accession_date 2017-08-18 _Entry.Last_release_date 2017-08-18 _Entry.Original_release_date 2017-08-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 'Sequence specific resonance assignment of mature hsa-miR-34a-5p (22-mer)' _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 Lorenzo Baronti . . . . 27225 2 Emilie Steiner . . . . 27225 3 Judith Schlagnitweit . . . . 27225 4 Katja Petzold . . . . 27225 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Karolinska Institutet' . 27225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 44 27225 '15N chemical shifts' 27 27225 '1H chemical shifts' 53 27225 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-07-03 2017-08-18 update BMRB 'update entry citation' 27225 1 . . 2020-05-21 2017-08-18 original author 'original release' 27225 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27226 'hsa-miR-34a-mSIRT1 bulge' 27225 BMRB 27229 'hsa-miR-34a-mSIRT1 bulge U5C9mut' 27225 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27225 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32461691 _Citation.DOI 10.1038/s41586-020-2336-3 _Citation.Full_citation . _Citation.Title ; Base-pair Conformational Switch Modulates miR-34a Targeting of Sirt1 mRNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 583 _Citation.Journal_issue 7814 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _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 139 _Citation.Page_last 144 _Citation.Year 2020 _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 Lorenzo Baronti . . . . 27225 1 2 Ileana Guzzetti . . . . 27225 1 3 Parisa Ebrahimi . . . . 27225 1 4 Sarah 'Friebe Sandoz' . . . . 27225 1 5 Emilie Steiner . . . . 27225 1 6 Judith Schlagnitweit . . . . 27225 1 7 Bastian Fromm . . . . 27225 1 8 Luis Silva . . . . 27225 1 9 Carolina Fontana . . . . 27225 1 10 Alan Chen A. . . . 27225 1 11 Katja Petzold . . . . 27225 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RNA 27225 1 miR-34a 27225 1 microRNA 27225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27225 _Assembly.ID 1 _Assembly.Name 'monomeric hsa-miR-34a-5p' _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 6677.2 _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 'monomer hsa-miR-34a-5p' 1 $hsa-miR-34a-5p A . yes native no no . . . 27225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hsa-miR-34a-5p _Entity.Sf_category entity _Entity.Sf_framecode hsa-miR-34a-5p _Entity.Entry_ID 27225 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hsa-miR-34a-5p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UGGCAGUGUCUUAGCUGGUU GU ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 yes NCBI 'GenBank: LM378896.1' . hsa-miR-34a-5p . . . . . . . . . . . . . . 27225 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 . U . 27225 1 2 . G . 27225 1 3 . G . 27225 1 4 . C . 27225 1 5 . A . 27225 1 6 . G . 27225 1 7 . U . 27225 1 8 . G . 27225 1 9 . U . 27225 1 10 . C . 27225 1 11 . U . 27225 1 12 . U . 27225 1 13 . A . 27225 1 14 . G . 27225 1 15 . C . 27225 1 16 . U . 27225 1 17 . G . 27225 1 18 . G . 27225 1 19 . U . 27225 1 20 . U . 27225 1 21 . G . 27225 1 22 . U . 27225 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 . U 1 1 27225 1 . G 2 2 27225 1 . G 3 3 27225 1 . C 4 4 27225 1 . A 5 5 27225 1 . G 6 6 27225 1 . U 7 7 27225 1 . G 8 8 27225 1 . U 9 9 27225 1 . C 10 10 27225 1 . U 11 11 27225 1 . U 12 12 27225 1 . A 13 13 27225 1 . G 14 14 27225 1 . C 15 15 27225 1 . U 16 16 27225 1 . G 17 17 27225 1 . G 18 18 27225 1 . U 19 19 27225 1 . U 20 20 27225 1 . G 21 21 27225 1 . U 22 22 27225 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 27225 _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 $hsa-miR-34a-5p . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27225 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 27225 _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 $hsa-miR-34a-5p . 'enzymatic semisynthesis' 'T7 in vitro transcritpion' . . . . . . . . 'DNA template' . . 'DNA template' . . . 27225 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27225 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hsa-miR-34a-5p '[U-100% 13C; U-100% 15N]' . . 1 $hsa-miR-34a-5p . . 300 100 500 uM . . . . 27225 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27225 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 27225 1 4 'sodium phosphate' 'natural abundance' . . . . . . 15 . . mM . . . . 27225 1 5 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 27225 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27225 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 27225 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 6.5 . pH 27225 1 pressure 1 . atm 27225 1 temperature 295.4 . K 27225 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27225 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 'v 3.2' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27225 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27225 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27225 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27225 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27225 2 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 27225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with a QCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _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 27225 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 III HD' . 600 'equipped with a QCI cryoprobe' . . 27225 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 27225 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27225 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27225 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27225 1 4 '2D HNN COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27225 1 5 '3D HCN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27225 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 27225 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details '13C and 15N were referenced using indirect referencing for multidimensional heteronuclear according to Wishart et al., 1995' 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 . . . . . 27225 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27225 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27225 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 27225 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-13C HSQC' . . . 27225 1 2 '2D 1H-15N HSQC' . . . 27225 1 3 '2D 1H-1H NOESY' . . . 27225 1 4 '2D HNN COSY' . . . 27225 1 5 '3D HCN' . . . 27225 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 1 1 U H1' H 1 5.909 0.000 . 1 . . . . . 1 U H1' . 27225 1 2 . 1 . 1 1 1 U H6 H 1 7.967 0.000 . 1 . . . . . 1 U H6 . 27225 1 3 . 1 . 1 1 1 U C1' C 13 90.744 0.000 . 1 . . . . . 1 U C1' . 27225 1 4 . 1 . 1 1 1 U C6 C 13 144.100 0.000 . 1 . . . . . 1 U C6 . 27225 1 5 . 1 . 1 2 2 G H1' H 1 5.779 0.000 . 1 . . . . . 2 G H1' . 27225 1 6 . 1 . 1 2 2 G H8 H 1 7.943 0.000 . 1 . . . . . 2 G H8 . 27225 1 7 . 1 . 1 2 2 G C1' C 13 92.423 0.000 . 1 . . . . . 2 G C1' . 27225 1 8 . 1 . 1 2 2 G C8 C 13 138.875 0.000 . 1 . . . . . 2 G C8 . 27225 1 9 . 1 . 1 2 2 G N9 N 15 169.484 0.005 . 1 . . . . . 2 G N9 . 27225 1 10 . 1 . 1 3 3 G H1' H 1 5.705 0.001 . 1 . . . . . 3 G H1' . 27225 1 11 . 1 . 1 3 3 G H8 H 1 7.666 0.000 . 1 . . . . . 3 G H8 . 27225 1 12 . 1 . 1 3 3 G C1' C 13 92.104 0.000 . 1 . . . . . 3 G C1' . 27225 1 13 . 1 . 1 3 3 G C8 C 13 137.488 0.000 . 1 . . . . . 3 G C8 . 27225 1 14 . 1 . 1 3 3 G N9 N 15 168.872 0.015 . 1 . . . . . 3 G N9 . 27225 1 15 . 1 . 1 4 4 C H1' H 1 5.582 0.001 . 1 . . . . . 4 C H1' . 27225 1 16 . 1 . 1 4 4 C H5 H 1 5.355 0.000 . 1 . . . . . 4 C H5 . 27225 1 17 . 1 . 1 4 4 C H6 H 1 7.822 0.000 . 1 . . . . . 4 C H6 . 27225 1 18 . 1 . 1 4 4 C H41 H 1 8.336 0.000 . 1 . . . . . 4 C H41 . 27225 1 19 . 1 . 1 4 4 C H42 H 1 6.872 0.000 . 1 . . . . . 4 C H42 . 27225 1 20 . 1 . 1 4 4 C C1' C 13 93.716 0.000 . 1 . . . . . 4 C C1' . 27225 1 21 . 1 . 1 4 4 C C5 C 13 97.791 0.000 . 1 . . . . . 4 C C5 . 27225 1 22 . 1 . 1 4 4 C C6 C 13 141.588 0.000 . 1 . . . . . 4 C C6 . 27225 1 23 . 1 . 1 4 4 C N1 N 15 151.187 0.006 . 1 . . . . . 4 C N1 . 27225 1 24 . 1 . 1 4 4 C N3 N 15 196.857 0.000 . 1 . . . . . 4 C N3 . 27225 1 25 . 1 . 1 4 4 C N4 N 15 98.536 0.007 . 1 . . . . . 4 C N4 . 27225 1 26 . 1 . 1 5 5 A H1' H 1 5.880 0.000 . 1 . . . . . 5 A H1' . 27225 1 27 . 1 . 1 5 5 A H2 H 1 6.985 0.000 . 1 . . . . . 5 A H2 . 27225 1 28 . 1 . 1 5 5 A H8 H 1 8.023 0.000 . 1 . . . . . 5 A H8 . 27225 1 29 . 1 . 1 5 5 A C1' C 13 92.720 0.000 . 1 . . . . . 5 A C1' . 27225 1 30 . 1 . 1 5 5 A C2 C 13 152.279 0.000 . 1 . . . . . 5 A C2 . 27225 1 31 . 1 . 1 5 5 A C8 C 13 139.429 0.000 . 1 . . . . . 5 A C8 . 27225 1 32 . 1 . 1 5 5 A N1 N 15 219.870 0.000 . 1 . . . . . 5 A N1 . 27225 1 33 . 1 . 1 5 5 A N9 N 15 170.888 0.002 . 1 . . . . . 5 A N9 . 27225 1 34 . 1 . 1 6 6 G H1 H 1 13.455 0.000 . 1 . . . . . 6 G H1 . 27225 1 35 . 1 . 1 6 6 G H1' H 1 5.512 0.001 . 1 . . . . . 6 G H1' . 27225 1 36 . 1 . 1 6 6 G H8 H 1 7.108 0.002 . 1 . . . . . 6 G H8 . 27225 1 37 . 1 . 1 6 6 G C1' C 13 92.624 0.000 . 1 . . . . . 6 G C1' . 27225 1 38 . 1 . 1 6 6 G C8 C 13 135.444 0.000 . 1 . . . . . 6 G C8 . 27225 1 39 . 1 . 1 6 6 G N1 N 15 148.157 0.000 . 1 . . . . . 6 G N1 . 27225 1 40 . 1 . 1 6 6 G N9 N 15 169.839 0.004 . 1 . . . . . 6 G N9 . 27225 1 41 . 1 . 1 7 7 U H1' H 1 5.350 0.000 . 1 . . . . . 7 U H1' . 27225 1 42 . 1 . 1 7 7 U H3 H 1 11.582 0.000 . 1 . . . . . 7 U H3 . 27225 1 43 . 1 . 1 7 7 U H6 H 1 7.466 0.002 . 1 . . . . . 7 U H6 . 27225 1 44 . 1 . 1 7 7 U C1' C 13 93.602 0.000 . 1 . . . . . 7 U C1' . 27225 1 45 . 1 . 1 7 7 U C6 C 13 139.527 0.000 . 1 . . . . . 7 U C6 . 27225 1 46 . 1 . 1 7 7 U N1 N 15 144.457 0.007 . 1 . . . . . 7 U N1 . 27225 1 47 . 1 . 1 7 7 U N3 N 15 158.258 0.000 . 1 . . . . . 7 U N3 . 27225 1 48 . 1 . 1 8 8 G H1' H 1 5.686 0.001 . 1 . . . . . 8 G H1' . 27225 1 49 . 1 . 1 8 8 G H8 H 1 7.762 0.000 . 1 . . . . . 8 G H8 . 27225 1 50 . 1 . 1 8 8 G C1' C 13 91.662 0.000 . 1 . . . . . 8 G C1' . 27225 1 51 . 1 . 1 8 8 G C8 C 13 137.673 0.000 . 1 . . . . . 8 G C8 . 27225 1 52 . 1 . 1 8 8 G N9 N 15 169.009 0.009 . 1 . . . . . 8 G N9 . 27225 1 53 . 1 . 1 9 9 U H1' H 1 5.092 0.001 . 1 . . . . . 9 U H1' . 27225 1 54 . 1 . 1 9 9 U H5 H 1 5.319 0.000 . 1 . . . . . 9 U H5 . 27225 1 55 . 1 . 1 9 9 U H6 H 1 7.440 0.002 . 1 . . . . . 9 U H6 . 27225 1 56 . 1 . 1 9 9 U C1' C 13 91.588 0.000 . 1 . . . . . 9 U C1' . 27225 1 57 . 1 . 1 9 9 U C5 C 13 104.431 0.000 . 1 . . . . . 9 U C5 . 27225 1 58 . 1 . 1 9 9 U C6 C 13 142.266 0.000 . 1 . . . . . 9 U C6 . 27225 1 59 . 1 . 1 9 9 U N1 N 15 144.518 0.005 . 1 . . . . . 9 U N1 . 27225 1 60 . 1 . 1 10 10 C H1' H 1 5.833 0.000 . 1 . . . . . 10 C H1' . 27225 1 61 . 1 . 1 10 10 C H5 H 1 5.854 0.000 . 1 . . . . . 10 C H5 . 27225 1 62 . 1 . 1 10 10 C H6 H 1 7.704 0.001 . 1 . . . . . 10 C H6 . 27225 1 63 . 1 . 1 10 10 C C1' C 13 91.077 0.000 . 1 . . . . . 10 C C1' . 27225 1 64 . 1 . 1 10 10 C C5 C 13 99.148 0.000 . 1 . . . . . 10 C C5 . 27225 1 65 . 1 . 1 10 10 C C6 C 13 143.548 0.000 . 1 . . . . . 10 C C6 . 27225 1 66 . 1 . 1 10 10 C N1 N 15 150.466 0.001 . 1 . . . . . 10 C N1 . 27225 1 67 . 1 . 1 13 13 A H1' H 1 6.108 0.000 . 1 . . . . . 13 A H1' . 27225 1 68 . 1 . 1 13 13 A H2 H 1 8.248 0.000 . 1 . . . . . 13 A H2 . 27225 1 69 . 1 . 1 13 13 A H8 H 1 8.370 0.000 . 1 . . . . . 13 A H8 . 27225 1 70 . 1 . 1 13 13 A C1' C 13 90.320 0.000 . 1 . . . . . 13 A C1' . 27225 1 71 . 1 . 1 13 13 A C2 C 13 155.702 0.000 . 1 . . . . . 13 A C2 . 27225 1 72 . 1 . 1 13 13 A C8 C 13 142.001 0.000 . 1 . . . . . 13 A C8 . 27225 1 73 . 1 . 1 13 13 A N9 N 15 168.979 0.001 . 1 . . . . . 13 A N9 . 27225 1 74 . 1 . 1 14 14 G H1 H 1 11.387 0.000 . 1 . . . . . 14 G H1 . 27225 1 75 . 1 . 1 14 14 G H1' H 1 5.631 0.001 . 1 . . . . . 14 G H1' . 27225 1 76 . 1 . 1 14 14 G H8 H 1 7.906 0.000 . 1 . . . . . 14 G H8 . 27225 1 77 . 1 . 1 14 14 G C1' C 13 93.224 0.000 . 1 . . . . . 14 G C1' . 27225 1 78 . 1 . 1 14 14 G C8 C 13 137.907 0.000 . 1 . . . . . 14 G C8 . 27225 1 79 . 1 . 1 14 14 G N1 N 15 145.084 0.000 . 1 . . . . . 14 G N1 . 27225 1 80 . 1 . 1 14 14 G N9 N 15 170.754 0.004 . 1 . . . . . 14 G N9 . 27225 1 81 . 1 . 1 15 15 C H1' H 1 5.485 0.000 . 1 . . . . . 15 C H1' . 27225 1 82 . 1 . 1 15 15 C H5 H 1 5.436 0.000 . 1 . . . . . 15 C H5 . 27225 1 83 . 1 . 1 15 15 C H6 H 1 7.689 0.000 . 1 . . . . . 15 C H6 . 27225 1 84 . 1 . 1 15 15 C H41 H 1 8.359 0.000 . 1 . . . . . 15 C H41 . 27225 1 85 . 1 . 1 15 15 C H42 H 1 7.002 0.000 . 1 . . . . . 15 C H42 . 27225 1 86 . 1 . 1 15 15 C C1' C 13 94.110 0.000 . 1 . . . . . 15 C C1' . 27225 1 87 . 1 . 1 15 15 C C5 C 13 97.581 0.000 . 1 . . . . . 15 C C5 . 27225 1 88 . 1 . 1 15 15 C C6 C 13 140.753 0.000 . 1 . . . . . 15 C C6 . 27225 1 89 . 1 . 1 15 15 C N1 N 15 151.626 0.000 . 1 . . . . . 15 C N1 . 27225 1 90 . 1 . 1 15 15 C N3 N 15 197.084 0.000 . 1 . . . . . 15 C N3 . 27225 1 91 . 1 . 1 15 15 C N4 N 15 99.348 0.000 . 1 . . . . . 15 C N4 . 27225 1 92 . 1 . 1 16 16 U H1' H 1 5.480 0.000 . 1 . . . . . 16 U H1' . 27225 1 93 . 1 . 1 16 16 U H3 H 1 13.687 0.000 . 1 . . . . . 16 U H3 . 27225 1 94 . 1 . 1 16 16 U H5 H 1 5.430 0.000 . 1 . . . . . 16 U H5 . 27225 1 95 . 1 . 1 16 16 U H6 H 1 7.876 0.000 . 1 . . . . . 16 U H6 . 27225 1 96 . 1 . 1 16 16 U C1' C 13 93.758 0.000 . 1 . . . . . 16 U C1' . 27225 1 97 . 1 . 1 16 16 U C5 C 13 103.575 0.000 . 1 . . . . . 16 U C5 . 27225 1 98 . 1 . 1 16 16 U C6 C 13 141.574 0.000 . 1 . . . . . 16 U C6 . 27225 1 99 . 1 . 1 16 16 U N1 N 15 145.865 0.003 . 1 . . . . . 16 U N1 . 27225 1 100 . 1 . 1 16 16 U N3 N 15 162.142 0.000 . 1 . . . . . 16 U N3 . 27225 1 101 . 1 . 1 17 17 G H1 H 1 12.461 0.001 . 1 . . . . . 17 G H1 . 27225 1 102 . 1 . 1 17 17 G H1' H 1 5.696 0.000 . 1 . . . . . 17 G H1' . 27225 1 103 . 1 . 1 17 17 G H8 H 1 7.717 0.001 . 1 . . . . . 17 G H8 . 27225 1 104 . 1 . 1 17 17 G C1' C 13 93.179 0.000 . 1 . . . . . 17 G C1' . 27225 1 105 . 1 . 1 17 17 G C8 C 13 136.583 0.000 . 1 . . . . . 17 G C8 . 27225 1 106 . 1 . 1 17 17 G N1 N 15 147.822 0.000 . 1 . . . . . 17 G N1 . 27225 1 107 . 1 . 1 17 17 G N9 N 15 169.824 0.008 . 1 . . . . . 17 G N9 . 27225 1 108 . 1 . 1 18 18 G H1' H 1 5.755 0.001 . 1 . . . . . 18 G H1' . 27225 1 109 . 1 . 1 18 18 G H8 H 1 7.552 0.000 . 1 . . . . . 18 G H8 . 27225 1 110 . 1 . 1 18 18 G C1' C 13 91.736 0.000 . 1 . . . . . 18 G C1' . 27225 1 111 . 1 . 1 18 18 G C8 C 13 140.786 0.000 . 1 . . . . . 18 G C8 . 27225 1 112 . 1 . 1 18 18 G N9 N 15 165.101 0.015 . 1 . . . . . 18 G N9 . 27225 1 113 . 1 . 1 19 19 U H1' H 1 5.585 0.000 . 1 . . . . . 19 U H1' . 27225 1 114 . 1 . 1 19 19 U H5 H 1 5.440 0.000 . 1 . . . . . 19 U H5 . 27225 1 115 . 1 . 1 19 19 U H6 H 1 7.566 0.001 . 1 . . . . . 19 U H6 . 27225 1 116 . 1 . 1 19 19 U C1' C 13 92.048 0.000 . 1 . . . . . 19 U C1' . 27225 1 117 . 1 . 1 19 19 U C5 C 13 104.582 0.000 . 1 . . . . . 19 U C5 . 27225 1 118 . 1 . 1 19 19 U C6 C 13 142.470 0.000 . 1 . . . . . 19 U C6 . 27225 1 119 . 1 . 1 19 19 U N1 N 15 144.614 0.000 . 1 . . . . . 19 U N1 . 27225 1 120 . 1 . 1 21 21 G H1' H 1 5.707 0.000 . 1 . . . . . 21 G H1' . 27225 1 121 . 1 . 1 21 21 G H8 H 1 7.742 0.000 . 1 . . . . . 21 G H8 . 27225 1 122 . 1 . 1 21 21 G C1' C 13 90.574 0.000 . 1 . . . . . 21 G C1' . 27225 1 123 . 1 . 1 21 21 G C8 C 13 139.044 0.000 . 1 . . . . . 21 G C8 . 27225 1 124 . 1 . 1 21 21 G N9 N 15 168.082 0.002 . 1 . . . . . 21 G N9 . 27225 1 stop_ save_