data_51698 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51698 _Entry.Title ; Assignment of pre-miR-31 Top short fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-18 _Entry.Accession_date 2022-11-18 _Entry.Last_release_date 2022-11-19 _Entry.Original_release_date 2022-11-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of pre-miR-31 Top short fragment' _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 Anita Kotar . . . 0000-0001-7576-7490 51698 2 Sarah Keane . . . 0000-0003-3206-9048 51698 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51698 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 39 51698 '1H chemical shifts' 155 51698 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 . . 2023-02-08 . original BMRB . 51698 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51129 'pre-miR-31 BottomA' 51698 BMRB 51134 'pre-miR-31 BottomB' 51698 BMRB 51697 'pre-miR-31 TopA fragment' 51698 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51698 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36711709 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of pre-miR-31 reveals an active role in Dicer processing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full 'bioRxiv : the preprint server for biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year 2023 _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 Sicong Ma S. . . . 51698 1 2 Anita Kotar A. . . . 51698 1 3 Scott Grote S. . . . 51698 1 4 Silvi Rouskin S. . . . 51698 1 5 Sarah Keane S. C. . . 51698 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'microRNA, helical stem, base pair mismatch, solution NMR spectroscopy, Dicer processing, Dicer processing regulation' 51698 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51698 _Assembly.ID 1 _Assembly.Name 'pre-miR-31 Top' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 1.00574 _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 'pre-miR-31 Top' 1 $entity_1 . . yes native no no . . . 51698 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51698 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCAUAGCUGUUGAACUGGG AACCUGCUAUGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 20 G 21 G 22 C ...... 50 G 51 C 52 C ; _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Apical loop of pre-miR-31' 51698 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 20 G . 51698 1 2 21 G . 51698 1 3 22 C . 51698 1 4 23 A . 51698 1 5 24 U . 51698 1 6 25 A . 51698 1 7 26 G . 51698 1 8 27 C . 51698 1 9 28 U . 51698 1 10 29 G . 51698 1 11 30 U . 51698 1 12 31 U . 51698 1 13 32 G . 51698 1 14 33 A . 51698 1 15 34 A . 51698 1 16 35 C . 51698 1 17 36 U . 51698 1 18 37 G . 51698 1 19 38 G . 51698 1 20 39 G . 51698 1 21 40 A . 51698 1 22 41 A . 51698 1 23 42 C . 51698 1 24 43 C . 51698 1 25 44 U . 51698 1 26 45 G . 51698 1 27 46 C . 51698 1 28 47 U . 51698 1 29 48 A . 51698 1 30 49 U . 51698 1 31 50 G . 51698 1 32 51 C . 51698 1 33 52 C . 51698 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 51698 1 . G 2 2 51698 1 . C 3 3 51698 1 . A 4 4 51698 1 . U 5 5 51698 1 . A 6 6 51698 1 . G 7 7 51698 1 . C 8 8 51698 1 . U 9 9 51698 1 . G 10 10 51698 1 . U 11 11 51698 1 . U 12 12 51698 1 . G 13 13 51698 1 . A 14 14 51698 1 . A 15 15 51698 1 . C 16 16 51698 1 . U 17 17 51698 1 . G 18 18 51698 1 . G 19 19 51698 1 . G 20 20 51698 1 . A 21 21 51698 1 . A 22 22 51698 1 . C 23 23 51698 1 . C 24 24 51698 1 . U 25 25 51698 1 . G 26 26 51698 1 . C 27 27 51698 1 . U 28 28 51698 1 . A 29 29 51698 1 . U 30 30 51698 1 . G 31 31 51698 1 . C 32 32 51698 1 . C 33 33 51698 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51698 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51698 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51698 _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 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . 'in vitro T7 synthesis of RNA' 51698 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51698 _Sample.ID 1 _Sample.Name 1_nonlabeled _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM RNA concentration, 50 mM K-phosphate buffer, pH=7.5, 1 mM MgCl2' _Sample.Aggregate_sample_number 1 _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 'pre-miR-31 Top' 'natural abundance' . . 1 $entity_1 . . 0.4 . . mM . . . . 51698 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51698 1 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 51698 1 4 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 51698 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51698 _Sample.ID 2 _Sample.Name 2_AHCH-labeled _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM RNA concentration, 50 mM K-phosphate buffer, pH=7.5, 1 mM MgCl2 only A and C residues were protiated, G and U were deuterated ; _Sample.Aggregate_sample_number 1 _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 'pre-miR-31 Top' '[U-100% 2H]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51698 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51698 2 3 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 51698 2 4 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 51698 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 51698 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0025 . M 51698 1 pH 7.5 . pH 51698 1 pressure 1 . atm 51698 1 temperature 303 . K 51698 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51698 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.0-b24 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51698 1 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 51698 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51698 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51698 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51698 1 2 '2D 1H-1H TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51698 1 3 '2D 1H-1H NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51698 1 4 '2D 1H-1H TOCSY' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51698 1 5 '2D 1H-1H NOESY' yes no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51698 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-13C HMQC' pre-miR-31_Top.rar . 'NMR experiment directory' . . 51698 1 2 '2D 1H-1H TOCSY' pre-miR-31_Top.rar . 'NMR experiment directory' . . 51698 1 3 '2D 1H-1H NOESY' pre-miR-31_Top.rar . 'NMR experiment directory' . . 51698 1 4 '2D 1H-1H TOCSY' pre-miR-31_Top.rar . 'NMR experiment directory' . . 51698 1 5 '2D 1H-1H NOESY' pre-miR-31_Top.rar . 'NMR experiment directory' . . 51698 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 51698 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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 water protons . . . . ppm 4.7 internal indirect . . . . . . 51698 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51698 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 51698 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name pre-miR-31_Top _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-13C HMQC' . . . 51698 1 2 '2D 1H-1H TOCSY' . . . 51698 1 3 '2D 1H-1H NOESY' . . . 51698 1 4 '2D 1H-1H TOCSY' . . . 51698 1 5 '2D 1H-1H NOESY' . . . 51698 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51698 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 5.8575 0.0131 . 1 . . . . . 20 G H1' . 51698 1 2 . 1 . 1 1 1 G H2' H 1 4.9789 0.0131 . 1 . . . . . 20 G H2' . 51698 1 3 . 1 . 1 1 1 G H3' H 1 4.6013 0.0131 . 1 . . . . . 20 G H3' . 51698 1 4 . 1 . 1 1 1 G H8 H 1 8.2173 0.0088 . 1 . . . . . 20 G H8 . 51698 1 5 . 1 . 1 1 1 G C8 C 13 139.2569 0.2625 . 1 . . . . . 20 G C8 . 51698 1 6 . 1 . 1 2 2 G H1' H 1 5.9451 0.0131 . 1 . . . . . 21 G H1' . 51698 1 7 . 1 . 1 2 2 G H2' H 1 4.6008 0.0131 . 1 . . . . . 21 G H2' . 51698 1 8 . 1 . 1 2 2 G H3' H 1 4.2946 0.0131 . 1 . . . . . 21 G H3' . 51698 1 9 . 1 . 1 2 2 G H8 H 1 7.6860 0.0088 . 1 . . . . . 21 G H8 . 51698 1 10 . 1 . 1 2 2 G C8 C 13 136.4823 0.2625 . 1 . . . . . 21 G C8 . 51698 1 11 . 1 . 1 3 3 C H1' H 1 5.5603 0.0131 . 1 . . . . . 22 C H1' . 51698 1 12 . 1 . 1 3 3 C H2' H 1 4.6315 0.0131 . 1 . . . . . 22 C H2' . 51698 1 13 . 1 . 1 3 3 C H3' H 1 4.5055 0.0131 . 1 . . . . . 22 C H3' . 51698 1 14 . 1 . 1 3 3 C H5 H 1 5.3389 0.0138 . 1 . . . . . 22 C H5 . 51698 1 15 . 1 . 1 3 3 C H6 H 1 7.7212 0.0140 . 1 . . . . . 22 C H6 . 51698 1 16 . 1 . 1 3 3 C C6 C 13 140.2185 0.2625 . 1 . . . . . 22 C C6 . 51698 1 17 . 1 . 1 4 4 A H1' H 1 5.9903 0.0131 . 1 . . . . . 23 A H1' . 51698 1 18 . 1 . 1 4 4 A H2 H 1 7.2865 0.0088 . 1 . . . . . 23 A H2 . 51698 1 19 . 1 . 1 4 4 A H2' H 1 4.5398 0.0131 . 1 . . . . . 23 A H2' . 51698 1 20 . 1 . 1 4 4 A H3' H 1 4.5425 0.0131 . 1 . . . . . 23 A H3' . 51698 1 21 . 1 . 1 4 4 A H8 H 1 8.0553 0.0088 . 1 . . . . . 23 A H8 . 51698 1 22 . 1 . 1 4 4 A C2 C 13 152.9729 0.2625 . 1 . . . . . 23 A C2 . 51698 1 23 . 1 . 1 4 4 A C8 C 13 139.4688 0.2625 . 1 . . . . . 23 A C8 . 51698 1 24 . 1 . 1 5 5 U H1' H 1 5.4662 0.0131 . 1 . . . . . 24 U H1' . 51698 1 25 . 1 . 1 5 5 U H2' H 1 4.4288 0.0131 . 1 . . . . . 24 U H2' . 51698 1 26 . 1 . 1 5 5 U H3' H 1 4.5767 0.0131 . 1 . . . . . 24 U H3' . 51698 1 27 . 1 . 1 5 5 U H5 H 1 5.1179 0.0210 . 1 . . . . . 24 U H5 . 51698 1 28 . 1 . 1 5 5 U H6 H 1 7.6447 0.0140 . 1 . . . . . 24 U H6 . 51698 1 29 . 1 . 1 5 5 U C6 C 13 141.1642 0.2625 . 1 . . . . . 24 U C6 . 51698 1 30 . 1 . 1 6 6 A H1' H 1 5.9969 0.0131 . 1 . . . . . 25 A H1' . 51698 1 31 . 1 . 1 6 6 A H2 H 1 6.7950 0.0088 . 1 . . . . . 25 A H2 . 51698 1 32 . 1 . 1 6 6 A H2' H 1 4.6254 0.0131 . 1 . . . . . 25 A H2' . 51698 1 33 . 1 . 1 6 6 A H3' H 1 4.7432 0.0131 . 1 . . . . . 25 A H3' . 51698 1 34 . 1 . 1 6 6 A H8 H 1 8.0946 0.0088 . 1 . . . . . 25 A H8 . 51698 1 35 . 1 . 1 6 6 A C2 C 13 152.6302 0.2625 . 1 . . . . . 25 A C2 . 51698 1 36 . 1 . 1 6 6 A C8 C 13 139.3780 0.2625 . 1 . . . . . 25 A C8 . 51698 1 37 . 1 . 1 7 7 G H1' H 1 5.6290 0.0131 . 1 . . . . . 26 G H1' . 51698 1 38 . 1 . 1 7 7 G H2' H 1 4.5203 0.0131 . 1 . . . . . 26 G H2' . 51698 1 39 . 1 . 1 7 7 G H3' H 1 4.4644 0.0131 . 1 . . . . . 26 G H3' . 51698 1 40 . 1 . 1 7 7 G H8 H 1 7.3038 0.0088 . 1 . . . . . 26 G H8 . 51698 1 41 . 1 . 1 8 8 C H1' H 1 5.4976 0.0131 . 1 . . . . . 27 C H1' . 51698 1 42 . 1 . 1 8 8 C H2' H 1 4.4072 0.0131 . 1 . . . . . 27 C H2' . 51698 1 43 . 1 . 1 8 8 C H3' H 1 4.2788 0.0131 . 1 . . . . . 27 C H3' . 51698 1 44 . 1 . 1 8 8 C H5 H 1 5.2199 0.0210 . 1 . . . . . 27 C H5 . 51698 1 45 . 1 . 1 8 8 C H6 H 1 7.4199 0.0140 . 1 . . . . . 27 C H6 . 51698 1 46 . 1 . 1 8 8 C C6 C 13 140.1413 0.2625 . 1 . . . . . 27 C C6 . 51698 1 47 . 1 . 1 9 9 U H1' H 1 5.6531 0.0131 . 1 . . . . . 28 U H1' . 51698 1 48 . 1 . 1 9 9 U H2' H 1 4.5385 0.0131 . 1 . . . . . 28 U H2' . 51698 1 49 . 1 . 1 9 9 U H3' H 1 4.5495 0.0131 . 1 . . . . . 28 U H3' . 51698 1 50 . 1 . 1 9 9 U H5 H 1 5.5760 0.0210 . 1 . . . . . 28 U H5 . 51698 1 51 . 1 . 1 9 9 U H6 H 1 7.6715 0.0140 . 1 . . . . . 28 U H6 . 51698 1 52 . 1 . 1 9 9 U C6 C 13 140.8320 0.2625 . 1 . . . . . 28 U C6 . 51698 1 53 . 1 . 1 10 10 G H1' H 1 5.7293 0.0202 . 1 . . . . . 29 G H1' . 51698 1 54 . 1 . 1 10 10 G H2' H 1 4.5997 0.0131 . 1 . . . . . 29 G H2' . 51698 1 55 . 1 . 1 10 10 G H3' H 1 4.6637 0.0131 . 1 . . . . . 29 G H3' . 51698 1 56 . 1 . 1 10 10 G H8 H 1 7.8474 0.0088 . 1 . . . . . 29 G H8 . 51698 1 57 . 1 . 1 10 10 G C8 C 13 137.7602 0.2625 . 1 . . . . . 29 G C8 . 51698 1 58 . 1 . 1 11 11 U H1' H 1 5.6066 0.0088 . 1 . . . . . 30 U H1' . 51698 1 59 . 1 . 1 11 11 U H2' H 1 4.4907 0.0131 . 1 . . . . . 30 U H2' . 51698 1 60 . 1 . 1 11 11 U H3' H 1 4.4588 0.0131 . 1 . . . . . 30 U H3' . 51698 1 61 . 1 . 1 11 11 U H5 H 1 5.2666 0.0210 . 1 . . . . . 30 U H5 . 51698 1 62 . 1 . 1 11 11 U H6 H 1 7.7509 0.0140 . 1 . . . . . 30 U H6 . 51698 1 63 . 1 . 1 11 11 U C6 C 13 142.1305 0.2625 . 1 . . . . . 30 U C6 . 51698 1 64 . 1 . 1 12 12 U H1' H 1 5.6664 0.0131 . 1 . . . . . 31 U H1' . 51698 1 65 . 1 . 1 12 12 U H2' H 1 4.4789 0.0131 . 1 . . . . . 31 U H2' . 51698 1 66 . 1 . 1 12 12 U H3' H 1 4.3717 0.0131 . 1 . . . . . 31 U H3' . 51698 1 67 . 1 . 1 12 12 U H5 H 1 5.6004 0.0210 . 1 . . . . . 31 U H5 . 51698 1 68 . 1 . 1 12 12 U H6 H 1 7.8174 0.0140 . 1 . . . . . 31 U H6 . 51698 1 69 . 1 . 1 12 12 U C6 C 13 142.0717 0.2625 . 1 . . . . . 31 U C6 . 51698 1 70 . 1 . 1 13 13 G H1' H 1 5.8076 0.0131 . 1 . . . . . 32 G H1' . 51698 1 71 . 1 . 1 13 13 G H2' H 1 4.2071 0.0131 . 1 . . . . . 32 G H2' . 51698 1 72 . 1 . 1 13 13 G H3' H 1 4.7070 0.0131 . 1 . . . . . 32 G H3' . 51698 1 73 . 1 . 1 13 13 G H8 H 1 7.8385 0.0088 . 1 . . . . . 32 G H8 . 51698 1 74 . 1 . 1 13 13 G C8 C 13 139.4917 0.2625 . 1 . . . . . 32 G C8 . 51698 1 75 . 1 . 1 14 14 A H1' H 1 5.7909 0.0131 . 1 . . . . . 33 A H1' . 51698 1 76 . 1 . 1 14 14 A H2 H 1 7.7941 0.0088 . 1 . . . . . 33 A H2 . 51698 1 77 . 1 . 1 14 14 A H2' H 1 4.7259 0.0131 . 1 . . . . . 33 A H2' . 51698 1 78 . 1 . 1 14 14 A H3' H 1 4.3732 0.0131 . 1 . . . . . 33 A H3' . 51698 1 79 . 1 . 1 14 14 A H8 H 1 8.1084 0.0088 . 1 . . . . . 33 A H8 . 51698 1 80 . 1 . 1 14 14 A C2 C 13 154.7011 0.2625 . 1 . . . . . 33 A C2 . 51698 1 81 . 1 . 1 14 14 A C8 C 13 140.7108 0.2625 . 1 . . . . . 33 A C8 . 51698 1 82 . 1 . 1 15 15 A H1' H 1 5.8174 0.0131 . 1 . . . . . 34 A H1' . 51698 1 83 . 1 . 1 15 15 A H2 H 1 8.0322 0.0088 . 1 . . . . . 34 A H2 . 51698 1 84 . 1 . 1 15 15 A H2' H 1 4.5114 0.0131 . 1 . . . . . 34 A H2' . 51698 1 85 . 1 . 1 15 15 A H3' H 1 4.6647 0.0131 . 1 . . . . . 34 A H3' . 51698 1 86 . 1 . 1 15 15 A H8 H 1 8.0807 0.0088 . 1 . . . . . 34 A H8 . 51698 1 87 . 1 . 1 15 15 A C2 C 13 155.3413 0.2625 . 1 . . . . . 34 A C2 . 51698 1 88 . 1 . 1 15 15 A C8 C 13 140.2243 0.2625 . 1 . . . . . 34 A C8 . 51698 1 89 . 1 . 1 16 16 C H1' H 1 5.6576 0.0131 . 1 . . . . . 35 C H1' . 51698 1 90 . 1 . 1 16 16 C H2' H 1 4.2691 0.0131 . 1 . . . . . 35 C H2' . 51698 1 91 . 1 . 1 16 16 C H3' H 1 4.2072 0.0131 . 1 . . . . . 35 C H3' . 51698 1 92 . 1 . 1 16 16 C H5 H 1 5.5973 0.0210 . 1 . . . . . 35 C H5 . 51698 1 93 . 1 . 1 16 16 C H6 H 1 7.5247 0.0140 . 1 . . . . . 35 C H6 . 51698 1 94 . 1 . 1 16 16 C C6 C 13 142.4982 0.2625 . 1 . . . . . 35 C C6 . 51698 1 95 . 1 . 1 17 17 U H1' H 1 5.6547 0.0131 . 1 . . . . . 36 U H1' . 51698 1 96 . 1 . 1 17 17 U H2' H 1 4.4487 0.0131 . 1 . . . . . 36 U H2' . 51698 1 97 . 1 . 1 17 17 U H3' H 1 4.5518 0.0131 . 1 . . . . . 36 U H3' . 51698 1 98 . 1 . 1 17 17 U H5 H 1 5.8060 0.0210 . 1 . . . . . 36 U H5 . 51698 1 99 . 1 . 1 17 17 U H6 H 1 7.7137 0.0140 . 1 . . . . . 36 U H6 . 51698 1 100 . 1 . 1 17 17 U C6 C 13 143.2791 0.2625 . 1 . . . . . 36 U C6 . 51698 1 101 . 1 . 1 18 18 G H1' H 1 5.7239 0.0131 . 1 . . . . . 37 G H1' . 51698 1 102 . 1 . 1 18 18 G H2' H 1 4.3511 0.0131 . 1 . . . . . 37 G H2' . 51698 1 103 . 1 . 1 18 18 G H3' H 1 4.4870 0.0131 . 1 . . . . . 37 G H3' . 51698 1 104 . 1 . 1 18 18 G H8 H 1 7.8373 0.0088 . 1 . . . . . 37 G H8 . 51698 1 105 . 1 . 1 18 18 G C8 C 13 138.4912 0.2625 . 1 . . . . . 37 G C8 . 51698 1 106 . 1 . 1 19 19 G H1' H 1 5.6664 0.0208 . 1 . . . . . 38 G H1' . 51698 1 107 . 1 . 1 19 19 G H2' H 1 4.5869 0.0131 . 1 . . . . . 38 G H2' . 51698 1 108 . 1 . 1 19 19 G H3' H 1 4.3377 0.0131 . 1 . . . . . 38 G H3' . 51698 1 109 . 1 . 1 19 19 G H8 H 1 7.8116 0.0088 . 1 . . . . . 38 G H8 . 51698 1 110 . 1 . 1 19 19 G C8 C 13 138.9748 0.2625 . 1 . . . . . 38 G C8 . 51698 1 111 . 1 . 1 20 20 G H1' H 1 5.7436 0.0131 . 1 . . . . . 39 G H1' . 51698 1 112 . 1 . 1 20 20 G H2' H 1 4.5790 0.0131 . 1 . . . . . 39 G H2' . 51698 1 113 . 1 . 1 20 20 G H3' H 1 4.8489 0.0131 . 1 . . . . . 39 G H3' . 51698 1 114 . 1 . 1 20 20 G H8 H 1 7.9507 0.0088 . 1 . . . . . 39 G H8 . 51698 1 115 . 1 . 1 20 20 G C8 C 13 139.2029 0.2625 . 1 . . . . . 39 G C8 . 51698 1 116 . 1 . 1 21 21 A H1' H 1 5.7718 0.0131 . 1 . . . . . 40 A H1' . 51698 1 117 . 1 . 1 21 21 A H2 H 1 7.4620 0.0206 . 1 . . . . . 40 A H2 . 51698 1 118 . 1 . 1 21 21 A H2' H 1 4.2441 0.0131 . 1 . . . . . 40 A H2' . 51698 1 119 . 1 . 1 21 21 A H3' H 1 4.7321 0.0131 . 1 . . . . . 40 A H3' . 51698 1 120 . 1 . 1 21 21 A H8 H 1 8.1799 0.0088 . 1 . . . . . 40 A H8 . 51698 1 121 . 1 . 1 21 21 A C2 C 13 153.6648 0.2625 . 1 . . . . . 40 A C2 . 51698 1 122 . 1 . 1 21 21 A C8 C 13 140.7438 0.2625 . 1 . . . . . 40 A C8 . 51698 1 123 . 1 . 1 22 22 A H1' H 1 5.8352 0.0131 . 1 . . . . . 41 A H1' . 51698 1 124 . 1 . 1 22 22 A H2 H 1 7.8967 0.0088 . 1 . . . . . 41 A H2 . 51698 1 125 . 1 . 1 22 22 A H2' H 1 4.5301 0.0131 . 1 . . . . . 41 A H2' . 51698 1 126 . 1 . 1 22 22 A H3' H 1 4.4743 0.0131 . 1 . . . . . 41 A H3' . 51698 1 127 . 1 . 1 22 22 A H8 H 1 7.9715 0.0088 . 1 . . . . . 41 A H8 . 51698 1 128 . 1 . 1 22 22 A C2 C 13 154.5130 0.2625 . 1 . . . . . 41 A C2 . 51698 1 129 . 1 . 1 22 22 A C8 C 13 139.4665 0.2625 . 1 . . . . . 41 A C8 . 51698 1 130 . 1 . 1 23 23 C H1' H 1 5.4413 0.0131 . 1 . . . . . 42 C H1' . 51698 1 131 . 1 . 1 23 23 C H2' H 1 4.2984 0.0131 . 1 . . . . . 42 C H2' . 51698 1 132 . 1 . 1 23 23 C H3' H 1 4.3382 0.0131 . 1 . . . . . 42 C H3' . 51698 1 133 . 1 . 1 23 23 C H5 H 1 5.2927 0.0210 . 1 . . . . . 42 C H5 . 51698 1 134 . 1 . 1 23 23 C H6 H 1 7.3667 0.0140 . 1 . . . . . 42 C H6 . 51698 1 135 . 1 . 1 23 23 C C6 C 13 140.4550 0.2625 . 1 . . . . . 42 C C6 . 51698 1 136 . 1 . 1 24 24 C H1' H 1 5.6716 0.0131 . 1 . . . . . 43 C H1' . 51698 1 137 . 1 . 1 24 24 C H2' H 1 4.3991 0.0131 . 1 . . . . . 43 C H2' . 51698 1 138 . 1 . 1 24 24 C H3' H 1 4.4326 0.0131 . 1 . . . . . 43 C H3' . 51698 1 139 . 1 . 1 24 24 C H5 H 1 5.6765 0.0140 . 1 . . . . . 43 C H5 . 51698 1 140 . 1 . 1 24 24 C H6 H 1 7.6522 0.0140 . 1 . . . . . 43 C H6 . 51698 1 141 . 1 . 1 24 24 C C6 C 13 141.1210 0.2625 . 1 . . . . . 43 C C6 . 51698 1 142 . 1 . 1 25 25 U H1' H 1 5.6268 0.0131 . 1 . . . . . 44 U H1' . 51698 1 143 . 1 . 1 25 25 U H2' H 1 4.3045 0.0131 . 1 . . . . . 44 U H2' . 51698 1 144 . 1 . 1 25 25 U H3' H 1 4.5900 0.0131 . 1 . . . . . 44 U H3' . 51698 1 145 . 1 . 1 25 25 U H5 H 1 5.6126 0.0210 . 1 . . . . . 44 U H5 . 51698 1 146 . 1 . 1 25 25 U H6 H 1 7.7924 0.0140 . 1 . . . . . 44 U H6 . 51698 1 147 . 1 . 1 25 25 U C6 C 13 142.1627 0.2625 . 1 . . . . . 44 U C6 . 51698 1 148 . 1 . 1 26 26 G H1' H 1 5.7781 0.0088 . 1 . . . . . 45 G H1' . 51698 1 149 . 1 . 1 26 26 G H2' H 1 4.6597 0.0131 . 1 . . . . . 45 G H2' . 51698 1 150 . 1 . 1 26 26 G H3' H 1 4.7305 0.0131 . 1 . . . . . 45 G H3' . 51698 1 151 . 1 . 1 26 26 G H8 H 1 7.9167 0.0088 . 1 . . . . . 45 G H8 . 51698 1 152 . 1 . 1 26 26 G C8 C 13 136.8212 0.2625 . 1 . . . . . 45 G C8 . 51698 1 153 . 1 . 1 27 27 C H1' H 1 5.6204 0.0131 . 1 . . . . . 46 C H1' . 51698 1 154 . 1 . 1 27 27 C H2' H 1 4.5069 0.0131 . 1 . . . . . 46 C H2' . 51698 1 155 . 1 . 1 27 27 C H3' H 1 4.6345 0.0131 . 1 . . . . . 46 C H3' . 51698 1 156 . 1 . 1 27 27 C H5 H 1 5.3244 0.0210 . 1 . . . . . 46 C H5 . 51698 1 157 . 1 . 1 27 27 C H6 H 1 7.7034 0.0140 . 1 . . . . . 46 C H6 . 51698 1 158 . 1 . 1 27 27 C C6 C 13 141.1239 0.2625 . 1 . . . . . 46 C C6 . 51698 1 159 . 1 . 1 28 28 U H1' H 1 5.5764 0.0088 . 1 . . . . . 47 U H1' . 51698 1 160 . 1 . 1 28 28 U H2' H 1 4.5754 0.0131 . 1 . . . . . 47 U H2' . 51698 1 161 . 1 . 1 28 28 U H3' H 1 4.6723 0.0131 . 1 . . . . . 47 U H3' . 51698 1 162 . 1 . 1 28 28 U H5 H 1 5.5132 0.0210 . 1 . . . . . 47 U H5 . 51698 1 163 . 1 . 1 28 28 U H6 H 1 7.9779 0.0140 . 1 . . . . . 47 U H6 . 51698 1 164 . 1 . 1 28 28 U C6 C 13 139.1598 0.2625 . 1 . . . . . 47 U C6 . 51698 1 165 . 1 . 1 29 29 A H1' H 1 6.0353 0.0131 . 1 . . . . . 48 A H1' . 51698 1 166 . 1 . 1 29 29 A H2 H 1 7.0588 0.0088 . 1 . . . . . 48 A H2 . 51698 1 167 . 1 . 1 29 29 A H2' H 1 4.4695 0.0131 . 1 . . . . . 48 A H2' . 51698 1 168 . 1 . 1 29 29 A H3' H 1 4.7598 0.0131 . 1 . . . . . 48 A H3' . 51698 1 169 . 1 . 1 29 29 A H8 H 1 8.2591 0.0088 . 1 . . . . . 48 A H8 . 51698 1 170 . 1 . 1 29 29 A C2 C 13 153.1849 0.2625 . 1 . . . . . 48 A C2 . 51698 1 171 . 1 . 1 29 29 A C8 C 13 139.4025 0.2625 . 1 . . . . . 48 A C8 . 51698 1 172 . 1 . 1 30 30 U H1' H 1 5.4718 0.0131 . 1 . . . . . 49 U H1' . 51698 1 173 . 1 . 1 30 30 U H2' H 1 4.4653 0.0131 . 1 . . . . . 49 U H2' . 51698 1 174 . 1 . 1 30 30 U H3' H 1 4.4402 0.0131 . 1 . . . . . 49 U H3' . 51698 1 175 . 1 . 1 30 30 U H5 H 1 5.0802 0.0210 . 1 . . . . . 49 U H5 . 51698 1 176 . 1 . 1 30 30 U H6 H 1 7.6803 0.0140 . 1 . . . . . 49 U H6 . 51698 1 177 . 1 . 1 30 30 U C6 C 13 141.4989 0.2625 . 1 . . . . . 49 U C6 . 51698 1 178 . 1 . 1 31 31 G H1' H 1 5.7993 0.0131 . 1 . . . . . 50 G H1' . 51698 1 179 . 1 . 1 31 31 G H2' H 1 4.2613 0.0131 . 1 . . . . . 50 G H2' . 51698 1 180 . 1 . 1 31 31 G H3' H 1 4.5582 0.0131 . 1 . . . . . 50 G H3' . 51698 1 181 . 1 . 1 31 31 G H8 H 1 7.7184 0.0088 . 1 . . . . . 50 G H8 . 51698 1 182 . 1 . 1 31 31 G C8 C 13 135.9374 0.2625 . 1 . . . . . 50 G C8 . 51698 1 183 . 1 . 1 32 32 C H1' H 1 5.5319 0.0088 . 1 . . . . . 51 C H1' . 51698 1 184 . 1 . 1 32 32 C H2' H 1 4.5012 0.0131 . 1 . . . . . 51 C H2' . 51698 1 185 . 1 . 1 32 32 C H3' H 1 4.2039 0.0131 . 1 . . . . . 51 C H3' . 51698 1 186 . 1 . 1 32 32 C H5 H 1 5.5300 0.0210 . 1 . . . . . 51 C H5 . 51698 1 187 . 1 . 1 32 32 C H6 H 1 7.7007 0.0140 . 1 . . . . . 51 C H6 . 51698 1 188 . 1 . 1 32 32 C C6 C 13 141.7244 0.2625 . 1 . . . . . 51 C C6 . 51698 1 189 . 1 . 1 33 33 C H1' H 1 5.8111 0.0131 . 1 . . . . . 52 C H1' . 51698 1 190 . 1 . 1 33 33 C H2' H 1 4.2671 0.0131 . 1 . . . . . 52 C H2' . 51698 1 191 . 1 . 1 33 33 C H3' H 1 4.3507 0.0131 . 1 . . . . . 52 C H3' . 51698 1 192 . 1 . 1 33 33 C H5 H 1 5.2425 0.0140 . 1 . . . . . 52 C H5 . 51698 1 193 . 1 . 1 33 33 C H6 H 1 7.7072 0.0140 . 1 . . . . . 52 C H6 . 51698 1 194 . 1 . 1 33 33 C C6 C 13 141.0924 0.2625 . 1 . . . . . 52 C C6 . 51698 1 stop_ save_