data_51129 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51129 _Entry.Title ; pre-miRNA-31 BottomA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-08 _Entry.Accession_date 2021-10-08 _Entry.Last_release_date 2021-10-08 _Entry.Original_release_date 2021-10-08 _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 'Bottom part of the stem of pre-miRNA-31' _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 51129 2 Sarah Keane . C. . 0000-0003-3206-9048 51129 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Michigan' . 51129 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51129 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 38 51129 '1H chemical shifts' 140 51129 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 . . 2022-02-18 . original BMRB . 51129 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51129 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35114594 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; pH dependence of C*A, G*A and A*A mismatches in the stem of precursor microRNA-31 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. Chem.' _Citation.Journal_name_full 'Biophysical chemistry' _Citation.Journal_volume 283 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-4200 _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 106763 _Citation.Page_last 106763 _Citation.Year 2022 _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 Anita Kotar . . . . 51129 1 2 Sicong Ma S. . . . 51129 1 3 Sarah Keane . C. . . 51129 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'microRNA, stem, mismatches, protonation, solution NMR spectroscopy' 51129 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51129 _Assembly.ID 1 _Assembly.Name RNA _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 . _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 RNA 1 $entity_1 . . yes native no no . . . 51129 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51129 _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 ; GGAGAGGAGGCAAGAGAUUG CCAUCUUUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,2,3,4,5,6,7,8,9,10,11,12,13,301,302,303,304,59,60,61,62,63,64,65,66,67,68,69,70,71 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment BottomA _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_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 1 G . 51129 1 2 2 G . 51129 1 3 3 A . 51129 1 4 4 G . 51129 1 5 5 A . 51129 1 6 6 G . 51129 1 7 7 G . 51129 1 8 8 A . 51129 1 9 9 G . 51129 1 10 10 G . 51129 1 11 11 C . 51129 1 12 12 A . 51129 1 13 13 A . 51129 1 14 301 G . 51129 1 15 302 A . 51129 1 16 303 G . 51129 1 17 304 A . 51129 1 18 59 U . 51129 1 19 60 U . 51129 1 20 61 G . 51129 1 21 62 C . 51129 1 22 63 C . 51129 1 23 64 A . 51129 1 24 65 U . 51129 1 25 66 C . 51129 1 26 67 U . 51129 1 27 68 U . 51129 1 28 69 U . 51129 1 29 70 C . 51129 1 30 71 C . 51129 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 51129 1 . G 2 2 51129 1 . A 3 3 51129 1 . G 4 4 51129 1 . A 5 5 51129 1 . G 6 6 51129 1 . G 7 7 51129 1 . A 8 8 51129 1 . G 9 9 51129 1 . G 10 10 51129 1 . C 11 11 51129 1 . A 12 12 51129 1 . A 13 13 51129 1 . G 14 14 51129 1 . A 15 15 51129 1 . G 16 16 51129 1 . A 17 17 51129 1 . U 18 18 51129 1 . U 19 19 51129 1 . G 20 20 51129 1 . C 21 21 51129 1 . C 22 22 51129 1 . A 23 23 51129 1 . U 24 24 51129 1 . C 25 25 51129 1 . U 26 26 51129 1 . U 27 27 51129 1 . U 28 28 51129 1 . C 29 29 51129 1 . C 30 30 51129 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 51129 _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 . . . . . . . . . . . . . 51129 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 51129 _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 . 'in vitro enzymatic synthesis' . . . . . . . . . . . . . . . . 51129 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51129 _Sample.ID 1 _Sample.Name BottomA _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 RNA 'natural abundance' . . 1 $entity_1 . . 0.4 . . mM . . . . 51129 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 51129 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51129 1 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 51129 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 51129 _Sample_condition_list.ID 1 _Sample_condition_list.Name BottomA _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' 0.9649 . M 51129 1 pH 7.5 . pH 51129 1 pressure 1 . atm 51129 1 temperature 303 . K 51129 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51129 _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' . 51129 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 51129 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51129 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz' _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51129 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 600_2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51129 _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 '1D 1H' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51129 1 2 '2D 1H-1H NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51129 1 3 '2D 1H-13C HMQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51129 1 4 '2D 1H-1H TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51129 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 '1D 1H' pre-miRNA-31_BottomA_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51129 1 2 '2D 1H-1H NOESY' pre-miRNA-31_BottomA_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51129 1 3 '2D 1H-13C HMQC' pre-miRNA-31_BottomA_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51129 1 4 '2D 1H-1H TOCSY' pre-miRNA-31_BottomA_NMRspectra.rar . 'Time-domain (raw spectral data)' . . 51129 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 51129 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name BottomA _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 na . . . . ppm 4.708 internal indirect 1 other . . . . 51129 1 H 1 water protons . . . . ppm 4.708 internal direct 1 other . . . . 51129 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 51129 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name pre-miRNA-31_BottomA _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 '1D 1H' . . . 51129 1 2 '2D 1H-1H NOESY' . . . 51129 1 3 '2D 1H-13C HMQC' . . . 51129 1 4 '2D 1H-1H TOCSY' . . . 51129 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 . . 51129 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 5.8598 0.0131 . 1 . . . . . 1 G H1' . 51129 1 2 . 1 . 1 1 1 G H2' H 1 4.9601 0.0131 . 1 . . . . . 1 G H2' . 51129 1 3 . 1 . 1 1 1 G H3' H 1 4.7774 0.0131 . 1 . . . . . 1 G H3' . 51129 1 4 . 1 . 1 1 1 G H8 H 1 8.1971 0.0127 . 1 . . . . . 1 G H8 . 51129 1 5 . 1 . 1 1 1 G C8 C 13 139.3041 0.6102 . 1 . . . . . 1 G C8 . 51129 1 6 . 1 . 1 2 2 G H1' H 1 5.9352 0.0131 . 1 . . . . . 2 G H1' . 51129 1 7 . 1 . 1 2 2 G H2' H 1 4.6762 0.0131 . 1 . . . . . 2 G H2' . 51129 1 8 . 1 . 1 2 2 G H3' H 1 4.3231 0.0131 . 1 . . . . . 2 G H3' . 51129 1 9 . 1 . 1 2 2 G H8 H 1 7.5660 0.0139 . 1 . . . . . 2 G H8 . 51129 1 10 . 1 . 1 2 2 G C8 C 13 137.0516 0.7230 . 1 . . . . . 2 G C8 . 51129 1 11 . 1 . 1 3 3 A H1' H 1 6.0902 0.0131 . 1 . . . . . 3 A H1' . 51129 1 12 . 1 . 1 3 3 A H2 H 1 7.4257 0.0145 . 1 . . . . . 3 A H2 . 51129 1 13 . 1 . 1 3 3 A H2' H 1 4.5399 0.0131 . 1 . . . . . 3 A H2' . 51129 1 14 . 1 . 1 3 3 A H3' H 1 4.3270 0.0131 . 1 . . . . . 3 A H3' . 51129 1 15 . 1 . 1 3 3 A H8 H 1 7.8298 0.0190 . 1 . . . . . 3 A H8 . 51129 1 16 . 1 . 1 3 3 A C2 C 13 153.2094 0.6980 . 1 . . . . . 3 A C2 . 51129 1 17 . 1 . 1 3 3 A C8 C 13 139.1126 0.5971 . 1 . . . . . 3 A C8 . 51129 1 18 . 1 . 1 4 4 G H1' H 1 5.5945 0.0131 . 1 . . . . . 4 G H1' . 51129 1 19 . 1 . 1 4 4 G H2' H 1 4.2418 0.0131 . 1 . . . . . 4 G H2' . 51129 1 20 . 1 . 1 4 4 G H3' H 1 4.0070 0.0131 . 1 . . . . . 4 G H3' . 51129 1 21 . 1 . 1 4 4 G H8 H 1 6.8911 0.0149 . 1 . . . . . 4 G H8 . 51129 1 22 . 1 . 1 4 4 G C8 C 13 136.1297 0.6087 . 1 . . . . . 4 G C8 . 51129 1 23 . 1 . 1 5 5 A H1' H 1 5.9678 0.0131 . 1 . . . . . 5 A H1' . 51129 1 24 . 1 . 1 5 5 A H2 H 1 7.6460 0.0157 . 1 . . . . . 5 A H2 . 51129 1 25 . 1 . 1 5 5 A H2' H 1 4.7259 0.0131 . 1 . . . . . 5 A H2' . 51129 1 26 . 1 . 1 5 5 A H3' H 1 4.0650 0.0131 . 1 . . . . . 5 A H3' . 51129 1 27 . 1 . 1 5 5 A H8 H 1 7.6509 0.0196 . 1 . . . . . 5 A H8 . 51129 1 28 . 1 . 1 5 5 A C2 C 13 153.7724 0.6085 . 1 . . . . . 5 A C2 . 51129 1 29 . 1 . 1 5 5 A C8 C 13 138.6875 0.6612 . 1 . . . . . 5 A C8 . 51129 1 30 . 1 . 1 6 6 G H1' H 1 5.6662 0.0131 . 1 . . . . . 6 G H1' . 51129 1 31 . 1 . 1 6 6 G H2' H 1 4.5066 0.0131 . 1 . . . . . 6 G H2' . 51129 1 32 . 1 . 1 6 6 G H3' H 1 4.4109 0.0131 . 1 . . . . . 6 G H3' . 51129 1 33 . 1 . 1 6 6 G H8 H 1 7.0660 0.0067 . 1 . . . . . 6 G H8 . 51129 1 34 . 1 . 1 6 6 G C8 C 13 135.8034 0.3433 . 1 . . . . . 6 G C8 . 51129 1 35 . 1 . 1 7 7 G H1' H 1 5.7614 0.0131 . 1 . . . . . 7 G H1' . 51129 1 36 . 1 . 1 7 7 G H2' H 1 4.7135 0.0131 . 1 . . . . . 7 G H2' . 51129 1 37 . 1 . 1 7 7 G H3' H 1 4.5313 0.0131 . 1 . . . . . 7 G H3' . 51129 1 38 . 1 . 1 7 7 G H8 H 1 7.1736 0.0149 . 1 . . . . . 7 G H8 . 51129 1 39 . 1 . 1 7 7 G C8 C 13 136.7299 0.6087 . 1 . . . . . 7 G C8 . 51129 1 40 . 1 . 1 8 8 A H1' H 1 6.0717 0.0131 . 1 . . . . . 8 A H1' . 51129 1 41 . 1 . 1 8 8 A H2 H 1 8.0813 0.0152 . 1 . . . . . 8 A H2 . 51129 1 42 . 1 . 1 8 8 A H2' H 1 4.5804 0.0131 . 1 . . . . . 8 A H2' . 51129 1 43 . 1 . 1 8 8 A H3' H 1 4.5381 0.0131 . 1 . . . . . 8 A H3' . 51129 1 44 . 1 . 1 8 8 A H8 H 1 7.8978 0.0147 . 1 . . . . . 8 A H8 . 51129 1 45 . 1 . 1 8 8 A C2 C 13 155.2436 0.7179 . 1 . . . . . 8 A C2 . 51129 1 46 . 1 . 1 8 8 A C8 C 13 138.8353 0.6070 . 1 . . . . . 8 A C8 . 51129 1 47 . 1 . 1 9 9 G H1' H 1 5.5453 0.0131 . 1 . . . . . 9 G H1' . 51129 1 48 . 1 . 1 9 9 G H2' H 1 4.2790 0.0131 . 1 . . . . . 9 G H2' . 51129 1 49 . 1 . 1 9 9 G H3' H 1 3.9958 0.0131 . 1 . . . . . 9 G H3' . 51129 1 50 . 1 . 1 9 9 G H8 H 1 6.8726 0.0162 . 1 . . . . . 9 G H8 . 51129 1 51 . 1 . 1 9 9 G C8 C 13 136.1672 0.6703 . 1 . . . . . 9 G C8 . 51129 1 52 . 1 . 1 10 10 G H1' H 1 5.7850 0.0131 . 1 . . . . . 10 G H1' . 51129 1 53 . 1 . 1 10 10 G H2' H 1 4.5147 0.0131 . 1 . . . . . 10 G H2' . 51129 1 54 . 1 . 1 10 10 G H3' H 1 4.1272 0.0131 . 1 . . . . . 10 G H3' . 51129 1 55 . 1 . 1 10 10 G H8 H 1 7.3687 0.0142 . 1 . . . . . 10 G H8 . 51129 1 56 . 1 . 1 10 10 G C8 C 13 136.1403 0.7210 . 1 . . . . . 10 G C8 . 51129 1 57 . 1 . 1 11 11 C H1' H 1 5.4965 0.0131 . 1 . . . . . 11 C H1' . 51129 1 58 . 1 . 1 11 11 C H2' H 1 4.7543 0.0131 . 1 . . . . . 11 C H2' . 51129 1 59 . 1 . 1 11 11 C H3' H 1 4.4943 0.0131 . 1 . . . . . 11 C H3' . 51129 1 60 . 1 . 1 11 11 C H5 H 1 5.2263 0.0210 . 1 . . . . . 11 C H5 . 51129 1 61 . 1 . 1 11 11 C H6 H 1 7.5961 0.0075 . 1 . . . . . 11 C H6 . 51129 1 62 . 1 . 1 11 11 C C6 C 13 140.4631 0.6312 . 1 . . . . . 11 C C6 . 51129 1 63 . 1 . 1 12 12 A H1' H 1 5.9177 0.0131 . 1 . . . . . 12 A H1' . 51129 1 64 . 1 . 1 12 12 A H2 H 1 6.7124 0.0119 . 1 . . . . . 12 A H2 . 51129 1 65 . 1 . 1 12 12 A H2' H 1 4.5754 0.0131 . 1 . . . . . 12 A H2' . 51129 1 66 . 1 . 1 12 12 A H3' H 1 4.4880 0.0131 . 1 . . . . . 12 A H3' . 51129 1 67 . 1 . 1 12 12 A H8 H 1 7.9693 0.0191 . 1 . . . . . 12 A H8 . 51129 1 68 . 1 . 1 12 12 A C2 C 13 152.1538 0.6110 . 1 . . . . . 12 A C2 . 51129 1 69 . 1 . 1 12 12 A C8 C 13 139.2462 0.7286 . 1 . . . . . 12 A C8 . 51129 1 70 . 1 . 1 13 13 A H1' H 1 5.9370 0.0131 . 1 . . . . . 13 A H1' . 51129 1 71 . 1 . 1 13 13 A H2 H 1 7.7192 0.0122 . 1 . . . . . 13 A H2 . 51129 1 72 . 1 . 1 13 13 A H2' H 1 4.0889 0.0131 . 1 . . . . . 13 A H2' . 51129 1 73 . 1 . 1 13 13 A H3' H 1 4.4708 0.0131 . 1 . . . . . 13 A H3' . 51129 1 74 . 1 . 1 13 13 A H8 H 1 7.6745 0.0216 . 1 . . . . . 13 A H8 . 51129 1 75 . 1 . 1 13 13 A C2 C 13 153.9355 0.6963 . 1 . . . . . 13 A C2 . 51129 1 76 . 1 . 1 13 13 A C8 C 13 138.8065 0.7649 . 1 . . . . . 13 A C8 . 51129 1 77 . 1 . 1 14 14 G H1' H 1 5.5072 0.0174 . 1 . . . . . 301 G H1' . 51129 1 78 . 1 . 1 14 14 G H2' H 1 4.2489 0.0131 . 1 . . . . . 301 G H2' . 51129 1 79 . 1 . 1 14 14 G H3' H 1 4.3291 0.0131 . 1 . . . . . 301 G H3' . 51129 1 80 . 1 . 1 14 14 G H8 H 1 7.1028 0.0136 . 1 . . . . . 301 G H8 . 51129 1 81 . 1 . 1 14 14 G C8 C 13 136.1258 0.6554 . 1 . . . . . 301 G C8 . 51129 1 82 . 1 . 1 15 15 A H1' H 1 5.7353 0.0131 . 1 . . . . . 302 A H1' . 51129 1 83 . 1 . 1 15 15 A H2 H 1 7.9406 0.0134 . 1 . . . . . 302 A H2 . 51129 1 84 . 1 . 1 15 15 A H2' H 1 4.5265 0.0131 . 1 . . . . . 302 A H2' . 51129 1 85 . 1 . 1 15 15 A H3' H 1 3.9169 0.0131 . 1 . . . . . 302 A H3' . 51129 1 86 . 1 . 1 15 15 A H8 H 1 8.2140 0.0127 . 1 . . . . . 302 A H8 . 51129 1 87 . 1 . 1 15 15 A C2 C 13 154.7428 0.6689 . 1 . . . . . 302 A C2 . 51129 1 88 . 1 . 1 15 15 A C8 C 13 141.6936 0.6102 . 1 . . . . . 302 A C8 . 51129 1 89 . 1 . 1 16 16 G H1' H 1 5.2354 0.0131 . 1 . . . . . 303 G H1' . 51129 1 90 . 1 . 1 16 16 G H2' H 1 4.3127 0.0131 . 1 . . . . . 303 G H2' . 51129 1 91 . 1 . 1 16 16 G H3' H 1 4.5537 0.0131 . 1 . . . . . 303 G H3' . 51129 1 92 . 1 . 1 16 16 G H8 H 1 7.5567 0.0139 . 1 . . . . . 303 G H8 . 51129 1 93 . 1 . 1 16 16 G C8 C 13 136.9012 0.7230 . 1 . . . . . 303 G C8 . 51129 1 94 . 1 . 1 17 17 A H1' H 1 6.1465 0.0131 . 1 . . . . . 304 A H1' . 51129 1 95 . 1 . 1 17 17 A H2 H 1 8.2678 0.0131 . 1 . . . . . 304 A H2 . 51129 1 96 . 1 . 1 17 17 A H2' H 1 4.4960 0.0131 . 1 . . . . . 304 A H2' . 51129 1 97 . 1 . 1 17 17 A H3' H 1 4.9000 0.0131 . 1 . . . . . 304 A H3' . 51129 1 98 . 1 . 1 17 17 A H8 H 1 8.1655 0.0189 . 1 . . . . . 304 A H8 . 51129 1 99 . 1 . 1 17 17 A C2 C 13 155.9215 0.6346 . 1 . . . . . 304 A C2 . 51129 1 100 . 1 . 1 17 17 A C8 C 13 140.1408 0.7281 . 1 . . . . . 304 A C8 . 51129 1 101 . 1 . 1 18 18 U H1' H 1 4.4962 0.0131 . 1 . . . . . 59 U H1' . 51129 1 102 . 1 . 1 18 18 U H2' H 1 4.1325 0.0131 . 1 . . . . . 59 U H2' . 51129 1 103 . 1 . 1 18 18 U H3' H 1 4.4105 0.0131 . 1 . . . . . 59 U H3' . 51129 1 104 . 1 . 1 18 18 U H5 H 1 5.9639 0.0210 . 1 . . . . . 59 U H5 . 51129 1 105 . 1 . 1 18 18 U H6 H 1 8.0570 0.0140 . 1 . . . . . 59 U H6 . 51129 1 106 . 1 . 1 18 18 U C6 C 13 142.9369 0.7963 . 1 . . . . . 59 U C6 . 51129 1 107 . 1 . 1 19 19 U H1' H 1 5.6690 0.0131 . 1 . . . . . 60 U H1' . 51129 1 108 . 1 . 1 19 19 U H2' H 1 4.5328 0.0131 . 1 . . . . . 60 U H2' . 51129 1 109 . 1 . 1 19 19 U H3' H 1 4.6258 0.0131 . 1 . . . . . 60 U H3' . 51129 1 110 . 1 . 1 19 19 U H5 H 1 5.6760 0.0210 . 1 . . . . . 60 U H5 . 51129 1 111 . 1 . 1 19 19 U H6 H 1 7.9594 0.0191 . 1 . . . . . 60 U H6 . 51129 1 112 . 1 . 1 19 19 U C6 C 13 142.0061 0.7286 . 1 . . . . . 60 U C6 . 51129 1 113 . 1 . 1 20 20 G H1' H 1 5.7881 0.0131 . 1 . . . . . 61 G H1' . 51129 1 114 . 1 . 1 20 20 G H2' H 1 4.4110 0.0131 . 1 . . . . . 61 G H2' . 51129 1 115 . 1 . 1 20 20 G H3' H 1 4.4880 0.0131 . 1 . . . . . 61 G H3' . 51129 1 116 . 1 . 1 20 20 G H8 H 1 7.8126 0.0162 . 1 . . . . . 61 G H8 . 51129 1 117 . 1 . 1 20 20 G C8 C 13 136.1396 0.6703 . 1 . . . . . 61 G C8 . 51129 1 118 . 1 . 1 21 21 C H1' H 1 5.4449 0.0131 . 1 . . . . . 62 C H1' . 51129 1 119 . 1 . 1 21 21 C H2' H 1 4.3699 0.0131 . 1 . . . . . 62 C H2' . 51129 1 120 . 1 . 1 21 21 C H3' H 1 4.4382 0.0131 . 1 . . . . . 62 C H3' . 51129 1 121 . 1 . 1 21 21 C H5 H 1 5.2508 0.0210 . 1 . . . . . 62 C H5 . 51129 1 122 . 1 . 1 21 21 C H6 H 1 7.6243 0.0235 . 1 . . . . . 62 C H6 . 51129 1 123 . 1 . 1 21 21 C C6 C 13 140.5846 0.6565 . 1 . . . . . 62 C C6 . 51129 1 124 . 1 . 1 22 22 C H1' H 1 5.4174 0.0131 . 1 . . . . . 63 C H1' . 51129 1 125 . 1 . 1 22 22 C H2' H 1 4.4746 0.0131 . 1 . . . . . 63 C H2' . 51129 1 126 . 1 . 1 22 22 C H3' H 1 4.4748 0.0131 . 1 . . . . . 63 C H3' . 51129 1 127 . 1 . 1 22 22 C H5 H 1 5.4613 0.0210 . 1 . . . . . 63 C H5 . 51129 1 128 . 1 . 1 22 22 C H6 H 1 7.6118 0.0235 . 1 . . . . . 63 C H6 . 51129 1 129 . 1 . 1 22 22 C C6 C 13 140.4890 0.6565 . 1 . . . . . 63 C C6 . 51129 1 130 . 1 . 1 23 23 A H1' H 1 6.0030 0.0131 . 1 . . . . . 64 A H1' . 51129 1 131 . 1 . 1 23 23 A H2 H 1 8.4446 0.0151 . 1 . . . . . 64 A H2 . 51129 1 132 . 1 . 1 23 23 A H2' H 1 4.5569 0.0131 . 1 . . . . . 64 A H2' . 51129 1 133 . 1 . 1 23 23 A H3' H 1 4.1289 0.0131 . 1 . . . . . 64 A H3' . 51129 1 134 . 1 . 1 23 23 A H8 H 1 8.1920 0.0167 . 1 . . . . . 64 A H8 . 51129 1 135 . 1 . 1 23 23 A C2 C 13 155.9934 0.6449 . 1 . . . . . 64 A C2 . 51129 1 136 . 1 . 1 23 23 A C8 C 13 139.3029 0.6694 . 1 . . . . . 64 A C8 . 51129 1 137 . 1 . 1 24 24 U H1' H 1 5.4950 0.0131 . 1 . . . . . 65 U H1' . 51129 1 138 . 1 . 1 24 24 U H2' H 1 4.1583 0.0131 . 1 . . . . . 65 U H2' . 51129 1 139 . 1 . 1 24 24 U H3' H 1 4.4409 0.0131 . 1 . . . . . 65 U H3' . 51129 1 140 . 1 . 1 24 24 U H5 H 1 5.0333 0.0210 . 1 . . . . . 65 U H5 . 51129 1 141 . 1 . 1 24 24 U H6 H 1 7.3935 0.0153 . 1 . . . . . 65 U H6 . 51129 1 142 . 1 . 1 24 24 U C6 C 13 141.3891 0.7821 . 1 . . . . . 65 U C6 . 51129 1 143 . 1 . 1 25 25 C H1' H 1 5.5778 0.0131 . 1 . . . . . 66 C H1' . 51129 1 144 . 1 . 1 25 25 C H2' H 1 4.1239 0.0131 . 1 . . . . . 66 C H2' . 51129 1 145 . 1 . 1 25 25 C H3' H 1 4.3523 0.0131 . 1 . . . . . 66 C H3' . 51129 1 146 . 1 . 1 25 25 C H5 H 1 5.6442 0.0210 . 1 . . . . . 66 C H5 . 51129 1 147 . 1 . 1 25 25 C H6 H 1 8.0008 0.0173 . 1 . . . . . 66 C H6 . 51129 1 148 . 1 . 1 25 25 C C6 C 13 142.4348 0.7200 . 1 . . . . . 66 C C6 . 51129 1 149 . 1 . 1 26 26 U H1' H 1 5.4973 0.0131 . 1 . . . . . 67 U H1' . 51129 1 150 . 1 . 1 26 26 U H2' H 1 4.7265 0.0131 . 1 . . . . . 67 U H2' . 51129 1 151 . 1 . 1 26 26 U H3' H 1 4.4001 0.0131 . 1 . . . . . 67 U H3' . 51129 1 152 . 1 . 1 26 26 U H5 H 1 5.4060 0.0210 . 1 . . . . . 67 U H5 . 51129 1 153 . 1 . 1 26 26 U H6 H 1 7.7648 0.0075 . 1 . . . . . 67 U H6 . 51129 1 154 . 1 . 1 26 26 U C6 C 13 142.0933 0.6312 . 1 . . . . . 67 U C6 . 51129 1 155 . 1 . 1 27 27 U H1' H 1 5.5404 0.0131 . 1 . . . . . 68 U H1' . 51129 1 156 . 1 . 1 27 27 U H2' H 1 4.1798 0.0131 . 1 . . . . . 68 U H2' . 51129 1 157 . 1 . 1 27 27 U H3' H 1 4.6178 0.0131 . 1 . . . . . 68 U H3' . 51129 1 158 . 1 . 1 27 27 U H5 H 1 5.8243 0.0210 . 1 . . . . . 68 U H5 . 51129 1 159 . 1 . 1 27 27 U H6 H 1 8.0302 0.0119 . 1 . . . . . 68 U H6 . 51129 1 160 . 1 . 1 27 27 U C6 C 13 141.4893 0.3894 . 1 . . . . . 68 U C6 . 51129 1 161 . 1 . 1 28 28 U H1' H 1 5.5253 0.0131 . 1 . . . . . 69 U H1' . 51129 1 162 . 1 . 1 28 28 U H2' H 1 4.5026 0.0131 . 1 . . . . . 69 U H2' . 51129 1 163 . 1 . 1 28 28 U H3' H 1 4.5759 0.0131 . 1 . . . . . 69 U H3' . 51129 1 164 . 1 . 1 28 28 U H5 H 1 5.6448 0.0210 . 1 . . . . . 69 U H5 . 51129 1 165 . 1 . 1 28 28 U H6 H 1 8.1541 0.0191 . 1 . . . . . 69 U H6 . 51129 1 166 . 1 . 1 28 28 U C6 C 13 143.2971 0.7286 . 1 . . . . . 69 U C6 . 51129 1 167 . 1 . 1 29 29 C H1' H 1 5.6035 0.0131 . 1 . . . . . 70 C H1' . 51129 1 168 . 1 . 1 29 29 C H2' H 1 4.1993 0.0131 . 1 . . . . . 70 C H2' . 51129 1 169 . 1 . 1 29 29 C H3' H 1 4.4528 0.0131 . 1 . . . . . 70 C H3' . 51129 1 170 . 1 . 1 29 29 C H5 H 1 5.7008 0.0210 . 1 . . . . . 70 C H5 . 51129 1 171 . 1 . 1 29 29 C H6 H 1 7.9317 0.0302 . 1 . . . . . 70 C H6 . 51129 1 172 . 1 . 1 29 29 C C6 C 13 141.9002 0.6244 . 1 . . . . . 70 C C6 . 51129 1 173 . 1 . 1 30 30 C H1' H 1 5.7433 0.0131 . 1 . . . . . 71 C H1' . 51129 1 174 . 1 . 1 30 30 C H2' H 1 4.0103 0.0131 . 1 . . . . . 71 C H2' . 51129 1 175 . 1 . 1 30 30 C H3' H 1 4.2167 0.0131 . 1 . . . . . 71 C H3' . 51129 1 176 . 1 . 1 30 30 C H5 H 1 5.5024 0.0210 . 1 . . . . . 71 C H5 . 51129 1 177 . 1 . 1 30 30 C H6 H 1 7.6964 0.0216 . 1 . . . . . 71 C H6 . 51129 1 178 . 1 . 1 30 30 C C6 C 13 141.7714 0.7649 . 1 . . . . . 71 C C6 . 51129 1 stop_ save_