data_34483 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34483 _Entry.Title ; Constitutive decay element CDE1 from human 3'UTR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-27 _Entry.Accession_date 2020-01-27 _Entry.Last_release_date 2020-05-22 _Entry.Original_release_date 2020-05-22 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 H. Schwalbe H. . . . 34483 2 O. Binas O. . . . 34483 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 34483 'hairpin Roquin binding' . 34483 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34483 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 112 34483 '1H chemical shifts' 135 34483 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 . . 2020-05-25 . original BMRB . 34483 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XWW 'BMRB Entry Tracking System' 34483 PDB 6XXB 'BMRB Entry Tracking System' 34483 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34483 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1093/nar/gkaa465 _Citation.Full_citation . _Citation.Title ; Structural basis for the recognition of transiently structured AU-rich elements by Roquin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _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 . _Citation.Page_last . _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 O. Binas O. . . . 34483 1 2 J. Tants J. N. . . 34483 1 3 S. Peter S. . . . 34483 1 4 R. Janowski R. . . . 34483 1 5 E. Davydova E. . . . 34483 1 6 J. Braun J. . . . 34483 1 7 D. Niessing D. . . . 34483 1 8 H. Schwalbe H. . . . 34483 1 9 J. Weigand J. E. . . 34483 1 10 A. Schlundt A. . . . 34483 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34483 _Assembly.ID 1 _Assembly.Name "RNA (5'-R(*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*C)-3')" _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 unit_1 1 $entity_1 A A yes . . . . . . 34483 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34483 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAAAUUAUAUUAAUUUCC ; _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6009.584 _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 . G . 34483 1 2 . G . 34483 1 3 . A . 34483 1 4 . A . 34483 1 5 . A . 34483 1 6 . U . 34483 1 7 . U . 34483 1 8 . A . 34483 1 9 . U . 34483 1 10 . A . 34483 1 11 . U . 34483 1 12 . U . 34483 1 13 . A . 34483 1 14 . A . 34483 1 15 . U . 34483 1 16 . U . 34483 1 17 . U . 34483 1 18 . C . 34483 1 19 . C . 34483 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 . G 1 1 34483 1 . G 2 2 34483 1 . A 3 3 34483 1 . A 4 4 34483 1 . A 5 5 34483 1 . U 6 6 34483 1 . U 7 7 34483 1 . A 8 8 34483 1 . U 9 9 34483 1 . A 10 10 34483 1 . U 11 11 34483 1 . U 12 12 34483 1 . A 13 13 34483 1 . A 14 14 34483 1 . U 15 15 34483 1 . U 16 16 34483 1 . U 17 17 34483 1 . C 18 18 34483 1 . C 19 19 34483 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 34483 _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 . 401526 organism . 'Thermosinus carboxydivorans Nor1' 'Thermosinus carboxydivorans Nor1' . . Bacteria . Thermosinus carboxydivorans . . . . . . . . . . . . . 34483 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 34483 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34483 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34483 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '350 uM CDE1, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 CDE1 'natural abundance' . . 1 $entity_1 . . 350 . . uM . . . . 34483 1 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 34483 1 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 34483 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34483 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-99% 13C; U-99% 15N] CDE1, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 CDE1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 34483 2 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 34483 2 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 34483 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 34483 _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 'ionic strength' 75 . mM 34483 1 pH 6.2 . pH 34483 1 pressure 1 . bar 34483 1 temperature 298 . K 34483 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 34483 _Sample_condition_list.ID 2 _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 'ionic strength' 75 . mM 34483 2 pH 6.2 . pH 34483 2 pressure 1 . bar 34483 2 temperature 298 . K 34483 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34483 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34483 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34483 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34483 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34483 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34483 2 . 'peak picking' 34483 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 34483 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34483 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34483 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34483 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34483 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 600 . . . 34483 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 700 . . . 34483 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 34483 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34483 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34483 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34483 1 4 fwHCC-TOCSY-CCH-E.COSY no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34483 1 5 '3D HCP' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34483 1 6 '3D HCN' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34483 1 7 '2D gamma HCN' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34483 1 8 '2D PFIDS' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34483 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 34483 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; 13C 15N referencing was achieved with the au program calc_wishart.rw in Topspin 3.5 written by Ruediger Weisemann (Bruker Biospin) after Wishart et al. ; 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 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34483 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 34483 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34483 1 2 '2D 1H-13C HSQC' . . . 34483 1 3 '3D HCCH-TOCSY' . . . 34483 1 4 fwHCC-TOCSY-CCH-E.COSY . . . 34483 1 5 '3D HCP' . . . 34483 1 6 '3D HCN' . . . 34483 1 7 '2D gamma HCN' . . . 34483 1 8 '2D PFIDS' . . . 34483 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 G H1' H 1 5.844 0.001 . . . . . . A 1 G H1' . 34483 1 2 . 1 . 1 1 1 G H3' H 1 4.700 0.001 . . . . . . A 1 G H3' . 34483 1 3 . 1 . 1 1 1 G H4' H 1 4.569 0.002 . . . . . . A 1 G H4' . 34483 1 4 . 1 . 1 1 1 G H5' H 1 4.454 0.002 . . . . . . A 1 G H5' . 34483 1 5 . 1 . 1 1 1 G H5'' H 1 4.297 0.005 . . . . . . A 1 G H5'' . 34483 1 6 . 1 . 1 1 1 G H8 H 1 8.139 0.002 . . . . . . A 1 G H8 . 34483 1 7 . 1 . 1 1 1 G C1' C 13 91.840 0.039 . . . . . . A 1 G C1' . 34483 1 8 . 1 . 1 1 1 G C2' C 13 75.177 0.000 . . . . . . A 1 G C2' . 34483 1 9 . 1 . 1 1 1 G C3' C 13 74.587 0.000 . . . . . . A 1 G C3' . 34483 1 10 . 1 . 1 1 1 G C4' C 13 83.264 0.000 . . . . . . A 1 G C4' . 34483 1 11 . 1 . 1 1 1 G C5' C 13 67.283 0.016 . . . . . . A 1 G C5' . 34483 1 12 . 1 . 1 1 1 G C8 C 13 139.022 0.000 . . . . . . A 1 G C8 . 34483 1 13 . 1 . 1 1 1 G HO2' H 1 4.947 0.003 . . . . . . A 1 G HO2' . 34483 1 14 . 1 . 1 2 2 G H1' H 1 5.915 0.003 . . . . . . A 2 G H1' . 34483 1 15 . 1 . 1 2 2 G H3' H 1 4.582 0.004 . . . . . . A 2 G H3' . 34483 1 16 . 1 . 1 2 2 G H4' H 1 4.569 0.012 . . . . . . A 2 G H4' . 34483 1 17 . 1 . 1 2 2 G H5' H 1 4.503 0.000 . . . . . . A 2 G H5' . 34483 1 18 . 1 . 1 2 2 G H5'' H 1 4.261 0.000 . . . . . . A 2 G H5'' . 34483 1 19 . 1 . 1 2 2 G H8 H 1 7.493 0.001 . . . . . . A 2 G H8 . 34483 1 20 . 1 . 1 2 2 G C1' C 13 92.986 0.015 . . . . . . A 2 G C1' . 34483 1 21 . 1 . 1 2 2 G C2' C 13 75.481 0.007 . . . . . . A 2 G C2' . 34483 1 22 . 1 . 1 2 2 G C3' C 13 73.255 0.003 . . . . . . A 2 G C3' . 34483 1 23 . 1 . 1 2 2 G C4' C 13 82.436 0.025 . . . . . . A 2 G C4' . 34483 1 24 . 1 . 1 2 2 G C5' C 13 66.322 0.025 . . . . . . A 2 G C5' . 34483 1 25 . 1 . 1 2 2 G C8 C 13 136.865 0.000 . . . . . . A 2 G C8 . 34483 1 26 . 1 . 1 2 2 G HO2' H 1 4.695 0.002 . . . . . . A 2 G HO2' . 34483 1 27 . 1 . 1 3 3 A H1' H 1 5.954 0.001 . . . . . . A 3 A H1' . 34483 1 28 . 1 . 1 3 3 A H2 H 1 7.146 0.002 . . . . . . A 3 A H2 . 34483 1 29 . 1 . 1 3 3 A H3' H 1 4.676 0.002 . . . . . . A 3 A H3' . 34483 1 30 . 1 . 1 3 3 A H4' H 1 4.534 0.004 . . . . . . A 3 A H4' . 34483 1 31 . 1 . 1 3 3 A H5' H 1 4.608 0.001 . . . . . . A 3 A H5' . 34483 1 32 . 1 . 1 3 3 A H5'' H 1 4.173 0.001 . . . . . . A 3 A H5'' . 34483 1 33 . 1 . 1 3 3 A H8 H 1 7.730 0.002 . . . . . . A 3 A H8 . 34483 1 34 . 1 . 1 3 3 A C1' C 13 93.172 0.031 . . . . . . A 3 A C1' . 34483 1 35 . 1 . 1 3 3 A C2 C 13 152.873 0.000 . . . . . . A 3 A C2 . 34483 1 36 . 1 . 1 3 3 A C2' C 13 75.767 0.007 . . . . . . A 3 A C2' . 34483 1 37 . 1 . 1 3 3 A C3' C 13 72.941 0.017 . . . . . . A 3 A C3' . 34483 1 38 . 1 . 1 3 3 A C4' C 13 82.174 0.012 . . . . . . A 3 A C4' . 34483 1 39 . 1 . 1 3 3 A C5' C 13 65.160 0.004 . . . . . . A 3 A C5' . 34483 1 40 . 1 . 1 3 3 A C8 C 13 139.416 0.000 . . . . . . A 3 A C8 . 34483 1 41 . 1 . 1 3 3 A HO2' H 1 4.675 0.000 . . . . . . A 3 A HO2' . 34483 1 42 . 1 . 1 4 4 A H1' H 1 5.813 0.001 . . . . . . A 4 A H1' . 34483 1 43 . 1 . 1 4 4 A H2 H 1 7.204 0.001 . . . . . . A 4 A H2 . 34483 1 44 . 1 . 1 4 4 A H3' H 1 4.609 0.002 . . . . . . A 4 A H3' . 34483 1 45 . 1 . 1 4 4 A H4' H 1 4.521 0.009 . . . . . . A 4 A H4' . 34483 1 46 . 1 . 1 4 4 A H8 H 1 7.608 0.001 . . . . . . A 4 A H8 . 34483 1 47 . 1 . 1 4 4 A C1' C 13 92.856 0.027 . . . . . . A 4 A C1' . 34483 1 48 . 1 . 1 4 4 A C2 C 13 152.767 0.000 . . . . . . A 4 A C2 . 34483 1 49 . 1 . 1 4 4 A C2' C 13 75.739 0.011 . . . . . . A 4 A C2' . 34483 1 50 . 1 . 1 4 4 A C3' C 13 73.245 0.000 . . . . . . A 4 A C3' . 34483 1 51 . 1 . 1 4 4 A C4' C 13 82.133 0.007 . . . . . . A 4 A C4' . 34483 1 52 . 1 . 1 4 4 A C8 C 13 139.234 0.000 . . . . . . A 4 A C8 . 34483 1 53 . 1 . 1 4 4 A HO2' H 1 4.616 0.005 . . . . . . A 4 A HO2' . 34483 1 54 . 1 . 1 5 5 A H1' H 1 5.849 0.002 . . . . . . A 5 A H1' . 34483 1 55 . 1 . 1 5 5 A H2 H 1 7.763 0.000 . . . . . . A 5 A H2 . 34483 1 56 . 1 . 1 5 5 A H3' H 1 4.505 0.002 . . . . . . A 5 A H3' . 34483 1 57 . 1 . 1 5 5 A H4' H 1 4.508 0.001 . . . . . . A 5 A H4' . 34483 1 58 . 1 . 1 5 5 A H5' H 1 4.530 0.000 . . . . . . A 5 A H5' . 34483 1 59 . 1 . 1 5 5 A H5'' H 1 4.109 0.000 . . . . . . A 5 A H5'' . 34483 1 60 . 1 . 1 5 5 A H8 H 1 7.666 0.001 . . . . . . A 5 A H8 . 34483 1 61 . 1 . 1 5 5 A C1' C 13 93.006 0.005 . . . . . . A 5 A C1' . 34483 1 62 . 1 . 1 5 5 A C2 C 13 153.695 0.000 . . . . . . A 5 A C2 . 34483 1 63 . 1 . 1 5 5 A C2' C 13 75.561 0.008 . . . . . . A 5 A C2' . 34483 1 64 . 1 . 1 5 5 A C3' C 13 73.004 0.024 . . . . . . A 5 A C3' . 34483 1 65 . 1 . 1 5 5 A C4' C 13 82.223 0.015 . . . . . . A 5 A C4' . 34483 1 66 . 1 . 1 5 5 A C5' C 13 65.539 0.005 . . . . . . A 5 A C5' . 34483 1 67 . 1 . 1 5 5 A C8 C 13 139.312 0.000 . . . . . . A 5 A C8 . 34483 1 68 . 1 . 1 5 5 A HO2' H 1 4.459 0.003 . . . . . . A 5 A HO2' . 34483 1 69 . 1 . 1 6 6 U H1' H 1 5.463 0.002 . . . . . . A 6 U H1' . 34483 1 70 . 1 . 1 6 6 U H3' H 1 4.398 0.003 . . . . . . A 6 U H3' . 34483 1 71 . 1 . 1 6 6 U H4' H 1 4.406 0.000 . . . . . . A 6 U H4' . 34483 1 72 . 1 . 1 6 6 U H5 H 1 4.959 0.003 . . . . . . A 6 U H5 . 34483 1 73 . 1 . 1 6 6 U H6 H 1 7.536 0.003 . . . . . . A 6 U H6 . 34483 1 74 . 1 . 1 6 6 U C1' C 13 93.541 0.023 . . . . . . A 6 U C1' . 34483 1 75 . 1 . 1 6 6 U C2' C 13 75.456 0.031 . . . . . . A 6 U C2' . 34483 1 76 . 1 . 1 6 6 U C3' C 13 72.360 0.000 . . . . . . A 6 U C3' . 34483 1 77 . 1 . 1 6 6 U C4' C 13 82.130 0.000 . . . . . . A 6 U C4' . 34483 1 78 . 1 . 1 6 6 U C6 C 13 141.401 0.000 . . . . . . A 6 U C6 . 34483 1 79 . 1 . 1 6 6 U HO2' H 1 4.288 0.002 . . . . . . A 6 U HO2' . 34483 1 80 . 1 . 1 7 7 U H1' H 1 5.617 0.008 . . . . . . A 7 U H1' . 34483 1 81 . 1 . 1 7 7 U H3' H 1 4.530 0.003 . . . . . . A 7 U H3' . 34483 1 82 . 1 . 1 7 7 U H4' H 1 4.459 0.028 . . . . . . A 7 U H4' . 34483 1 83 . 1 . 1 7 7 U H5 H 1 5.470 0.001 . . . . . . A 7 U H5 . 34483 1 84 . 1 . 1 7 7 U H5' H 1 4.529 0.013 . . . . . . A 7 U H5' . 34483 1 85 . 1 . 1 7 7 U H5'' H 1 4.102 0.000 . . . . . . A 7 U H5'' . 34483 1 86 . 1 . 1 7 7 U H6 H 1 7.804 0.003 . . . . . . A 7 U H6 . 34483 1 87 . 1 . 1 7 7 U C1' C 13 93.506 0.025 . . . . . . A 7 U C1' . 34483 1 88 . 1 . 1 7 7 U C2' C 13 75.528 0.004 . . . . . . A 7 U C2' . 34483 1 89 . 1 . 1 7 7 U C3' C 13 72.865 0.000 . . . . . . A 7 U C3' . 34483 1 90 . 1 . 1 7 7 U C4' C 13 82.328 0.058 . . . . . . A 7 U C4' . 34483 1 91 . 1 . 1 7 7 U C5' C 13 64.973 0.036 . . . . . . A 7 U C5' . 34483 1 92 . 1 . 1 7 7 U C6 C 13 141.916 0.000 . . . . . . A 7 U C6 . 34483 1 93 . 1 . 1 7 7 U HO2' H 1 4.334 0.001 . . . . . . A 7 U HO2' . 34483 1 94 . 1 . 1 8 8 A H1' H 1 5.889 0.006 . . . . . . A 8 A H1' . 34483 1 95 . 1 . 1 8 8 A H2 H 1 7.192 0.001 . . . . . . A 8 A H2 . 34483 1 96 . 1 . 1 8 8 A H3' H 1 4.693 0.003 . . . . . . A 8 A H3' . 34483 1 97 . 1 . 1 8 8 A H4' H 1 4.492 0.001 . . . . . . A 8 A H4' . 34483 1 98 . 1 . 1 8 8 A H5' H 1 4.450 0.004 . . . . . . A 8 A H5' . 34483 1 99 . 1 . 1 8 8 A H5'' H 1 4.132 0.003 . . . . . . A 8 A H5'' . 34483 1 100 . 1 . 1 8 8 A H8 H 1 8.082 0.001 . . . . . . A 8 A H8 . 34483 1 101 . 1 . 1 8 8 A C1' C 13 91.377 0.009 . . . . . . A 8 A C1' . 34483 1 102 . 1 . 1 8 8 A C2 C 13 153.961 0.000 . . . . . . A 8 A C2 . 34483 1 103 . 1 . 1 8 8 A C2' C 13 76.353 0.016 . . . . . . A 8 A C2' . 34483 1 104 . 1 . 1 8 8 A C3' C 13 75.171 0.014 . . . . . . A 8 A C3' . 34483 1 105 . 1 . 1 8 8 A C4' C 13 83.684 0.010 . . . . . . A 8 A C4' . 34483 1 106 . 1 . 1 8 8 A C5' C 13 66.190 0.014 . . . . . . A 8 A C5' . 34483 1 107 . 1 . 1 8 8 A C8 C 13 140.304 0.000 . . . . . . A 8 A C8 . 34483 1 108 . 1 . 1 8 8 A HO2' H 1 4.515 0.004 . . . . . . A 8 A HO2' . 34483 1 109 . 1 . 1 9 9 U H1' H 1 5.631 0.001 . . . . . . A 9 U H1' . 34483 1 110 . 1 . 1 9 9 U H3' H 1 4.453 0.001 . . . . . . A 9 U H3' . 34483 1 111 . 1 . 1 9 9 U H4' H 1 4.243 0.003 . . . . . . A 9 U H4' . 34483 1 112 . 1 . 1 9 9 U H5 H 1 5.636 0.000 . . . . . . A 9 U H5 . 34483 1 113 . 1 . 1 9 9 U H5' H 1 4.105 0.004 . . . . . . A 9 U H5' . 34483 1 114 . 1 . 1 9 9 U H5'' H 1 3.992 0.001 . . . . . . A 9 U H5'' . 34483 1 115 . 1 . 1 9 9 U H6 H 1 7.642 0.002 . . . . . . A 9 U H6 . 34483 1 116 . 1 . 1 9 9 U C1' C 13 90.618 0.008 . . . . . . A 9 U C1' . 34483 1 117 . 1 . 1 9 9 U C2' C 13 75.682 0.052 . . . . . . A 9 U C2' . 34483 1 118 . 1 . 1 9 9 U C3' C 13 76.902 0.016 . . . . . . A 9 U C3' . 34483 1 119 . 1 . 1 9 9 U C4' C 13 85.125 0.001 . . . . . . A 9 U C4' . 34483 1 120 . 1 . 1 9 9 U C5' C 13 67.349 0.014 . . . . . . A 9 U C5' . 34483 1 121 . 1 . 1 9 9 U C6 C 13 143.238 0.000 . . . . . . A 9 U C6 . 34483 1 122 . 1 . 1 9 9 U HO2' H 1 4.276 0.003 . . . . . . A 9 U HO2' . 34483 1 123 . 1 . 1 10 10 A H1' H 1 5.748 0.002 . . . . . . A 10 A H1' . 34483 1 124 . 1 . 1 10 10 A H2 H 1 7.976 0.002 . . . . . . A 10 A H2 . 34483 1 125 . 1 . 1 10 10 A H3' H 1 4.628 0.005 . . . . . . A 10 A H3' . 34483 1 126 . 1 . 1 10 10 A H4' H 1 4.399 0.002 . . . . . . A 10 A H4' . 34483 1 127 . 1 . 1 10 10 A H5' H 1 4.117 0.006 . . . . . . A 10 A H5' . 34483 1 128 . 1 . 1 10 10 A H5'' H 1 3.998 0.002 . . . . . . A 10 A H5'' . 34483 1 129 . 1 . 1 10 10 A H8 H 1 7.995 0.001 . . . . . . A 10 A H8 . 34483 1 130 . 1 . 1 10 10 A C1' C 13 90.082 0.003 . . . . . . A 10 A C1' . 34483 1 131 . 1 . 1 10 10 A C2 C 13 154.861 0.000 . . . . . . A 10 A C2 . 34483 1 132 . 1 . 1 10 10 A C2' C 13 77.412 0.041 . . . . . . A 10 A C2' . 34483 1 133 . 1 . 1 10 10 A C3' C 13 78.103 0.047 . . . . . . A 10 A C3' . 34483 1 134 . 1 . 1 10 10 A C4' C 13 86.172 0.015 . . . . . . A 10 A C4' . 34483 1 135 . 1 . 1 10 10 A C5' C 13 67.905 0.019 . . . . . . A 10 A C5' . 34483 1 136 . 1 . 1 10 10 A C8 C 13 141.696 0.000 . . . . . . A 10 A C8 . 34483 1 137 . 1 . 1 10 10 A HO2' H 1 4.523 0.003 . . . . . . A 10 A HO2' . 34483 1 138 . 1 . 1 11 11 U H1' H 1 5.908 0.004 . . . . . . A 11 U H1' . 34483 1 139 . 1 . 1 11 11 U H3' H 1 4.691 0.005 . . . . . . A 11 U H3' . 34483 1 140 . 1 . 1 11 11 U H4' H 1 4.437 0.005 . . . . . . A 11 U H4' . 34483 1 141 . 1 . 1 11 11 U H5 H 1 5.781 0.000 . . . . . . A 11 U H5 . 34483 1 142 . 1 . 1 11 11 U H5' H 1 4.129 0.001 . . . . . . A 11 U H5' . 34483 1 143 . 1 . 1 11 11 U H5'' H 1 4.081 0.004 . . . . . . A 11 U H5'' . 34483 1 144 . 1 . 1 11 11 U H6 H 1 7.738 0.003 . . . . . . A 11 U H6 . 34483 1 145 . 1 . 1 11 11 U C1' C 13 90.430 0.021 . . . . . . A 11 U C1' . 34483 1 146 . 1 . 1 11 11 U C2' C 13 75.707 0.058 . . . . . . A 11 U C2' . 34483 1 147 . 1 . 1 11 11 U C3' C 13 76.995 0.025 . . . . . . A 11 U C3' . 34483 1 148 . 1 . 1 11 11 U C4' C 13 85.217 0.040 . . . . . . A 11 U C4' . 34483 1 149 . 1 . 1 11 11 U C5' C 13 68.014 0.035 . . . . . . A 11 U C5' . 34483 1 150 . 1 . 1 11 11 U C6 C 13 143.823 0.000 . . . . . . A 11 U C6 . 34483 1 151 . 1 . 1 11 11 U HO2' H 1 4.374 0.001 . . . . . . A 11 U HO2' . 34483 1 152 . 1 . 1 12 12 U H1' H 1 5.873 0.001 . . . . . . A 12 U H1' . 34483 1 153 . 1 . 1 12 12 U H3' H 1 4.633 0.002 . . . . . . A 12 U H3' . 34483 1 154 . 1 . 1 12 12 U H4' H 1 4.527 0.001 . . . . . . A 12 U H4' . 34483 1 155 . 1 . 1 12 12 U H5 H 1 5.918 0.003 . . . . . . A 12 U H5 . 34483 1 156 . 1 . 1 12 12 U H5' H 1 4.258 0.001 . . . . . . A 12 U H5' . 34483 1 157 . 1 . 1 12 12 U H5'' H 1 4.227 0.002 . . . . . . A 12 U H5'' . 34483 1 158 . 1 . 1 12 12 U H6 H 1 7.913 0.003 . . . . . . A 12 U H6 . 34483 1 159 . 1 . 1 12 12 U C1' C 13 91.254 0.041 . . . . . . A 12 U C1' . 34483 1 160 . 1 . 1 12 12 U C2' C 13 75.055 0.057 . . . . . . A 12 U C2' . 34483 1 161 . 1 . 1 12 12 U C3' C 13 76.309 0.003 . . . . . . A 12 U C3' . 34483 1 162 . 1 . 1 12 12 U C4' C 13 84.542 0.002 . . . . . . A 12 U C4' . 34483 1 163 . 1 . 1 12 12 U C5' C 13 68.475 0.012 . . . . . . A 12 U C5' . 34483 1 164 . 1 . 1 12 12 U C6 C 13 143.797 0.000 . . . . . . A 12 U C6 . 34483 1 165 . 1 . 1 12 12 U HO2' H 1 4.591 0.002 . . . . . . A 12 U HO2' . 34483 1 166 . 1 . 1 13 13 A H1' H 1 6.005 0.001 . . . . . . A 13 A H1' . 34483 1 167 . 1 . 1 13 13 A H2 H 1 6.811 0.001 . . . . . . A 13 A H2 . 34483 1 168 . 1 . 1 13 13 A H3' H 1 4.681 0.002 . . . . . . A 13 A H3' . 34483 1 169 . 1 . 1 13 13 A H4' H 1 4.619 0.005 . . . . . . A 13 A H4' . 34483 1 170 . 1 . 1 13 13 A H5' H 1 4.448 0.003 . . . . . . A 13 A H5' . 34483 1 171 . 1 . 1 13 13 A H5'' H 1 4.379 0.002 . . . . . . A 13 A H5'' . 34483 1 172 . 1 . 1 13 13 A H8 H 1 8.319 0.001 . . . . . . A 13 A H8 . 34483 1 173 . 1 . 1 13 13 A C1' C 13 92.374 0.050 . . . . . . A 13 A C1' . 34483 1 174 . 1 . 1 13 13 A C2 C 13 152.440 0.000 . . . . . . A 13 A C2 . 34483 1 175 . 1 . 1 13 13 A C2' C 13 75.434 0.019 . . . . . . A 13 A C2' . 34483 1 176 . 1 . 1 13 13 A C3' C 13 74.569 0.029 . . . . . . A 13 A C3' . 34483 1 177 . 1 . 1 13 13 A C4' C 13 83.268 0.003 . . . . . . A 13 A C4' . 34483 1 178 . 1 . 1 13 13 A C5' C 13 67.678 0.004 . . . . . . A 13 A C5' . 34483 1 179 . 1 . 1 13 13 A C8 C 13 141.101 0.000 . . . . . . A 13 A C8 . 34483 1 180 . 1 . 1 13 13 A HO2' H 1 4.750 0.005 . . . . . . A 13 A HO2' . 34483 1 181 . 1 . 1 14 14 A H1' H 1 5.914 0.002 . . . . . . A 14 A H1' . 34483 1 182 . 1 . 1 14 14 A H2 H 1 7.717 0.001 . . . . . . A 14 A H2 . 34483 1 183 . 1 . 1 14 14 A H3' H 1 4.548 0.003 . . . . . . A 14 A H3' . 34483 1 184 . 1 . 1 14 14 A H8 H 1 7.865 0.000 . . . . . . A 14 A H8 . 34483 1 185 . 1 . 1 14 14 A C1' C 13 92.859 0.000 . . . . . . A 14 A C1' . 34483 1 186 . 1 . 1 14 14 A C2 C 13 153.704 0.000 . . . . . . A 14 A C2 . 34483 1 187 . 1 . 1 14 14 A C2' C 13 75.587 0.000 . . . . . . A 14 A C2' . 34483 1 188 . 1 . 1 14 14 A C3' C 13 73.082 0.000 . . . . . . A 14 A C3' . 34483 1 189 . 1 . 1 14 14 A C8 C 13 139.657 0.000 . . . . . . A 14 A C8 . 34483 1 190 . 1 . 1 14 14 A HO2' H 1 4.457 0.002 . . . . . . A 14 A HO2' . 34483 1 191 . 1 . 1 15 15 U H1' H 1 5.468 0.005 . . . . . . A 15 U H1' . 34483 1 192 . 1 . 1 15 15 U H3' H 1 4.414 0.003 . . . . . . A 15 U H3' . 34483 1 193 . 1 . 1 15 15 U H5 H 1 5.001 0.001 . . . . . . A 15 U H5 . 34483 1 194 . 1 . 1 15 15 U H6 H 1 7.561 0.003 . . . . . . A 15 U H6 . 34483 1 195 . 1 . 1 15 15 U C1' C 13 93.382 0.058 . . . . . . A 15 U C1' . 34483 1 196 . 1 . 1 15 15 U C2' C 13 75.426 0.000 . . . . . . A 15 U C2' . 34483 1 197 . 1 . 1 15 15 U C3' C 13 72.412 0.000 . . . . . . A 15 U C3' . 34483 1 198 . 1 . 1 15 15 U C6 C 13 141.395 0.000 . . . . . . A 15 U C6 . 34483 1 199 . 1 . 1 15 15 U HO2' H 1 4.350 0.002 . . . . . . A 15 U HO2' . 34483 1 200 . 1 . 1 16 16 U H1' H 1 5.645 0.005 . . . . . . A 16 U H1' . 34483 1 201 . 1 . 1 16 16 U H3' H 1 4.474 0.002 . . . . . . A 16 U H3' . 34483 1 202 . 1 . 1 16 16 U H5 H 1 5.518 0.001 . . . . . . A 16 U H5 . 34483 1 203 . 1 . 1 16 16 U H6 H 1 7.911 0.004 . . . . . . A 16 U H6 . 34483 1 204 . 1 . 1 16 16 U C1' C 13 93.837 0.022 . . . . . . A 16 U C1' . 34483 1 205 . 1 . 1 16 16 U C2' C 13 75.533 0.015 . . . . . . A 16 U C2' . 34483 1 206 . 1 . 1 16 16 U C3' C 13 72.758 0.012 . . . . . . A 16 U C3' . 34483 1 207 . 1 . 1 16 16 U C6 C 13 142.348 0.000 . . . . . . A 16 U C6 . 34483 1 208 . 1 . 1 16 16 U HO2' H 1 4.447 0.003 . . . . . . A 16 U HO2' . 34483 1 209 . 1 . 1 17 17 U H1' H 1 5.599 0.003 . . . . . . A 17 U H1' . 34483 1 210 . 1 . 1 17 17 U H3' H 1 4.471 0.005 . . . . . . A 17 U H3' . 34483 1 211 . 1 . 1 17 17 U H4' H 1 4.473 0.000 . . . . . . A 17 U H4' . 34483 1 212 . 1 . 1 17 17 U H5 H 1 5.560 0.000 . . . . . . A 17 U H5 . 34483 1 213 . 1 . 1 17 17 U H6 H 1 7.978 0.004 . . . . . . A 17 U H6 . 34483 1 214 . 1 . 1 17 17 U C1' C 13 93.873 0.019 . . . . . . A 17 U C1' . 34483 1 215 . 1 . 1 17 17 U C2' C 13 75.310 0.005 . . . . . . A 17 U C2' . 34483 1 216 . 1 . 1 17 17 U C3' C 13 72.519 0.009 . . . . . . A 17 U C3' . 34483 1 217 . 1 . 1 17 17 U C4' C 13 82.195 0.000 . . . . . . A 17 U C4' . 34483 1 218 . 1 . 1 17 17 U C6 C 13 142.596 0.000 . . . . . . A 17 U C6 . 34483 1 219 . 1 . 1 17 17 U HO2' H 1 4.434 0.002 . . . . . . A 17 U HO2' . 34483 1 220 . 1 . 1 18 18 C H1' H 1 5.517 0.003 . . . . . . A 18 C H1' . 34483 1 221 . 1 . 1 18 18 C H3' H 1 4.456 0.007 . . . . . . A 18 C H3' . 34483 1 222 . 1 . 1 18 18 C H4' H 1 4.382 0.003 . . . . . . A 18 C H4' . 34483 1 223 . 1 . 1 18 18 C H5 H 1 5.620 0.000 . . . . . . A 18 C H5 . 34483 1 224 . 1 . 1 18 18 C H5' H 1 4.533 0.000 . . . . . . A 18 C H5' . 34483 1 225 . 1 . 1 18 18 C H5'' H 1 4.062 0.000 . . . . . . A 18 C H5'' . 34483 1 226 . 1 . 1 18 18 C H6 H 1 7.847 0.004 . . . . . . A 18 C H6 . 34483 1 227 . 1 . 1 18 18 C C1' C 13 94.591 0.026 . . . . . . A 18 C C1' . 34483 1 228 . 1 . 1 18 18 C C2' C 13 75.675 0.019 . . . . . . A 18 C C2' . 34483 1 229 . 1 . 1 18 18 C C3' C 13 72.337 0.006 . . . . . . A 18 C C3' . 34483 1 230 . 1 . 1 18 18 C C4' C 13 82.148 0.009 . . . . . . A 18 C C4' . 34483 1 231 . 1 . 1 18 18 C C5' C 13 64.596 0.031 . . . . . . A 18 C C5' . 34483 1 232 . 1 . 1 18 18 C C6 C 13 141.967 0.000 . . . . . . A 18 C C6 . 34483 1 233 . 1 . 1 18 18 C HO2' H 1 4.130 0.002 . . . . . . A 18 C HO2' . 34483 1 234 . 1 . 1 19 19 C H1' H 1 6.052 0.002 . . . . . . A 19 C H1' . 34483 1 235 . 1 . 1 19 19 C H3' H 1 4.932 0.007 . . . . . . A 19 C H3' . 34483 1 236 . 1 . 1 19 19 C H4' H 1 4.397 0.002 . . . . . . A 19 C H4' . 34483 1 237 . 1 . 1 19 19 C H5 H 1 5.479 0.000 . . . . . . A 19 C H5 . 34483 1 238 . 1 . 1 19 19 C H5' H 1 4.522 0.003 . . . . . . A 19 C H5' . 34483 1 239 . 1 . 1 19 19 C H5'' H 1 4.083 0.004 . . . . . . A 19 C H5'' . 34483 1 240 . 1 . 1 19 19 C H6 H 1 7.457 0.004 . . . . . . A 19 C H6 . 34483 1 241 . 1 . 1 19 19 C C1' C 13 91.959 0.021 . . . . . . A 19 C C1' . 34483 1 242 . 1 . 1 19 19 C C2' C 13 85.135 0.020 . . . . . . A 19 C C2' . 34483 1 243 . 1 . 1 19 19 C C3' C 13 77.986 0.023 . . . . . . A 19 C C3' . 34483 1 244 . 1 . 1 19 19 C C4' C 13 85.551 0.013 . . . . . . A 19 C C4' . 34483 1 245 . 1 . 1 19 19 C C5' C 13 65.810 0.017 . . . . . . A 19 C C5' . 34483 1 246 . 1 . 1 19 19 C C6 C 13 141.852 0.000 . . . . . . A 19 C C6 . 34483 1 247 . 1 . 1 19 19 C HO2' H 1 4.605 0.001 . . . . . . A 19 C HO2' . 34483 1 stop_ save_