data_50237 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50237 _Entry.Title ; free aptamer RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-14 _Entry.Accession_date 2020-04-14 _Entry.Last_release_date 2020-04-14 _Entry.Original_release_date 2020-04-14 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assigned chemical shifts for the free aptamer RNA.' _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 Tadateru Nishikawa . . . . 50237 2 Jonathan Wojciak . M. . . 50237 3 'Helen Jane' Dyson . . . 0000-0001-6855-3398 50237 4 Peter Wright . E. . 0000-0002-1368-0223 50237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 50237 '15N chemical shifts' 6 50237 '1H chemical shifts' 211 50237 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 . . 2021-03-01 . original BMRB . 50237 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50236 'complex of WT1 (minus KTS) with a hairpin aptamer RNA' 50237 PDB TBD 'Solution structure of the WT1(-KTS) complex with an aptamer RNA' 50237 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50237 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32955251 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; RNA Binding by the KTS Splice Variants of Wilms' Tumor Suppressor Protein WT1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 40 _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 3889 _Citation.Page_last 3901 _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 Tadateru Nishikawa . . . . 50237 1 2 Jonathan Wojciak . M. . . 50237 1 3 'Helen Jane' Dyson . . . . 50237 1 4 Peter Wright . E. . . 50237 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA complex' 50237 1 'Wilms tumor' 50237 1 'solution structure' 50237 1 'transcription factor' 50237 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50237 _Assembly.ID 1 _Assembly.Name 'RNA aptamer' _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 . 'RNA hairpin' . 50237 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'regulation of gene expression' 50237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50237 _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 ; GGGCCACCAACGACAUUGAU AUGGUGCCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq "5' (1)....3' (29)" _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 29 _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 'optimal specific RNA aptamer for WT1 (-KTS) obtained by in vitro selection (SELEX)' 50237 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 . G . 50237 1 2 . G . 50237 1 3 . G . 50237 1 4 . C . 50237 1 5 . C . 50237 1 6 . A . 50237 1 7 . C . 50237 1 8 . C . 50237 1 9 . A . 50237 1 10 . A . 50237 1 11 . C . 50237 1 12 . G . 50237 1 13 . A . 50237 1 14 . C . 50237 1 15 . A . 50237 1 16 . U . 50237 1 17 . U . 50237 1 18 . G . 50237 1 19 . A . 50237 1 20 . U . 50237 1 21 . A . 50237 1 22 . U . 50237 1 23 . G . 50237 1 24 . G . 50237 1 25 . U . 50237 1 26 . G . 50237 1 27 . C . 50237 1 28 . C . 50237 1 29 . C . 50237 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 50237 1 . G 2 2 50237 1 . G 3 3 50237 1 . C 4 4 50237 1 . C 5 5 50237 1 . A 6 6 50237 1 . C 7 7 50237 1 . C 8 8 50237 1 . A 9 9 50237 1 . A 10 10 50237 1 . C 11 11 50237 1 . G 12 12 50237 1 . A 13 13 50237 1 . C 14 14 50237 1 . A 15 15 50237 1 . U 16 16 50237 1 . U 17 17 50237 1 . G 18 18 50237 1 . A 19 19 50237 1 . U 20 20 50237 1 . A 21 21 50237 1 . U 22 22 50237 1 . G 23 23 50237 1 . G 24 24 50237 1 . U 25 25 50237 1 . G 26 26 50237 1 . C 27 27 50237 1 . C 28 28 50237 1 . C 29 29 50237 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 50237 _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 50237 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 50237 _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' . . . . . . . . . plasmid . . . . . . 50237 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50237 _Sample.ID 1 _Sample.Name 'free RNA, non-exchangeable protons' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'free labeled RNA, non-exchangeable protons' _Sample.Aggregate_sample_number 5 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'aptamer RNA' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.55 0.5 0.6 mM 0.1 . . . 50237 1 2 TRIS '[U-100% 2H]' . . . . . . 10 . . mM 0.1 . . . 50237 1 3 'potassium chloride' 'natural abundance' . . . . . . 350 . . mM 0.5 . . . 50237 1 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 50237 1 5 ZnSO4 'natural abundance' . . . . . . 5 . . uM 0.1 . . . 50237 1 6 'sodium azide' 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 50237 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50237 _Sample.ID 2 _Sample.Name 'free RNA, exchangeable protons' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'free labeled RNA, exchangeable protons' _Sample.Aggregate_sample_number 6 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'aptamer RNA' '[U-100% 15N]' . . 1 $entity_1 . . 0.55 0.5 0.6 mM 0.1 . . . 50237 2 2 TRIS '[U-100% 2H]' . . . . . . 10 . . mM 0.1 . . . 50237 2 3 'potassium chloride' 'natural abundance' . . . . . . 350 . . mM 0.5 . . . 50237 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 50237 2 5 ZnSO4 'natural abundance' . . . . . . 5 . . uM 0.1 . . . 50237 2 6 'sodium azide' 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 50237 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 50237 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'uniform conditions' _Sample_condition_list.Details 'Assignments were performed at 310K or 303K except for the experiments on the exchangeable protons of RNA' 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' 350 . mM 50237 1 pH 7.1 . pH 50237 1 pressure 1 . atm 50237 1 temperature 310 . K 50237 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 50237 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'exchangeable RNA proton assignments' _Sample_condition_list.Details '3 temperatures used, 280, 293 or 298K' 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' 350 . mM 50237 2 pH 7.1 . pH 50237 2 pressure 1 . atm 50237 2 temperature 280 . K 50237 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50237 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50237 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50237 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50237 2 'data analysis' . 50237 2 'peak picking' . 50237 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 50237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 900MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50237 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 750MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50237 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 500MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 50237 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name 800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 50237 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name 600MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 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 50237 _Experiment_list.ID 1 _Experiment_list.Details 'all time domain data can be provided. Please advise as to how to upload it.' 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 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50237 1 2 '3D HMQC-NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50237 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 50237 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name standard _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 50237 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 50237 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0.00 external indirect 0.101329118 . . . . . 50237 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 50237 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'free RNA aptamer' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '3D HCCH-COSY' . . . 50237 1 2 '3D HMQC-NOESY' . . . 50237 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 2 $software_2 . . 50237 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 5.847 0.01 . 1 . . . . . 1 G H1' . 50237 1 2 . 1 . 1 1 1 G C1' C 13 91.898 0.1 . 1 . . . . . 1 G C1' . 50237 1 3 . 1 . 1 2 2 G H1 H 1 12.933 0.01 . 1 . . . . . 2 G H1 . 50237 1 4 . 1 . 1 2 2 G H1' H 1 5.935 0.01 . 1 . . . . . 2 G H1' . 50237 1 5 . 1 . 1 2 2 G H2' H 1 4.601 0.01 . 1 . . . . . 2 G H2' . 50237 1 6 . 1 . 1 2 2 G H5' H 1 4.530 0.01 . 2 . . . . . 2 G H5' . 50237 1 7 . 1 . 1 2 2 G H5'' H 1 4.242 0.01 . 2 . . . . . 2 G H5'' . 50237 1 8 . 1 . 1 2 2 G H8 H 1 7.544 0.01 . 1 . . . . . 2 G H8 . 50237 1 9 . 1 . 1 2 2 G C1' C 13 92.368 0.1 . 1 . . . . . 2 G C1' . 50237 1 10 . 1 . 1 2 2 G C2' C 13 75.561 0.1 . 1 . . . . . 2 G C2' . 50237 1 11 . 1 . 1 2 2 G C5' C 13 66.690 0.1 . 1 . . . . . 2 G C5' . 50237 1 12 . 1 . 1 2 2 G C8 C 13 136.736 0.1 . 1 . . . . . 2 G C8 . 50237 1 13 . 1 . 1 2 2 G N1 N 15 147.897 0.1 . 1 . . . . . 2 G N1 . 50237 1 14 . 1 . 1 3 3 G H1 H 1 13.069 0.01 . 1 . . . . . 3 G H1 . 50237 1 15 . 1 . 1 3 3 G H1' H 1 5.821 0.01 . 1 . . . . . 3 G H1' . 50237 1 16 . 1 . 1 3 3 G H2' H 1 4.292 0.01 . 1 . . . . . 3 G H2' . 50237 1 17 . 1 . 1 3 3 G H3' H 1 4.590 0.01 . 1 . . . . . 3 G H3' . 50237 1 18 . 1 . 1 3 3 G H4' H 1 4.501 0.01 . 1 . . . . . 3 G H4' . 50237 1 19 . 1 . 1 3 3 G H5' H 1 4.537 0.01 . 2 . . . . . 3 G H5' . 50237 1 20 . 1 . 1 3 3 G H5'' H 1 4.143 0.01 . 2 . . . . . 3 G H5'' . 50237 1 21 . 1 . 1 3 3 G H8 H 1 7.337 0.01 . 1 . . . . . 3 G H8 . 50237 1 22 . 1 . 1 3 3 G C1' C 13 91.867 0.1 . 1 . . . . . 3 G C1' . 50237 1 23 . 1 . 1 3 3 G C2' C 13 76.620 0.1 . 1 . . . . . 3 G C2' . 50237 1 24 . 1 . 1 3 3 G C3' C 13 73.735 0.1 . 1 . . . . . 3 G C3' . 50237 1 25 . 1 . 1 3 3 G C4' C 13 82.010 0.1 . 1 . . . . . 3 G C4' . 50237 1 26 . 1 . 1 3 3 G C5' C 13 66.056 0.1 . 1 . . . . . 3 G C5' . 50237 1 27 . 1 . 1 3 3 G C8 C 13 136.529 0.1 . 1 . . . . . 3 G C8 . 50237 1 28 . 1 . 1 3 3 G N3 N 15 149.192 0.1 . 1 . . . . . 3 G N3 . 50237 1 29 . 1 . 1 4 4 C H1' H 1 5.857 0.01 . 1 . . . . . 4 C H1' . 50237 1 30 . 1 . 1 4 4 C H2' H 1 4.394 0.01 . 1 . . . . . 4 C H2' . 50237 1 31 . 1 . 1 4 4 C H3' H 1 4.588 0.01 . 1 . . . . . 4 C H3' . 50237 1 32 . 1 . 1 4 4 C H4' H 1 4.443 0.01 . 1 . . . . . 4 C H4' . 50237 1 33 . 1 . 1 4 4 C H5 H 1 5.511 0.01 . 1 . . . . . 4 C H5 . 50237 1 34 . 1 . 1 4 4 C H5' H 1 4.425 0.01 . 2 . . . . . 4 C H5' . 50237 1 35 . 1 . 1 4 4 C H5'' H 1 4.161 0.01 . 2 . . . . . 4 C H5'' . 50237 1 36 . 1 . 1 4 4 C H6 H 1 7.664 0.01 . 1 . . . . . 4 C H6 . 50237 1 37 . 1 . 1 4 4 C C1' C 13 92.392 0.1 . 1 . . . . . 4 C C1' . 50237 1 38 . 1 . 1 4 4 C C2' C 13 76.197 0.1 . 1 . . . . . 4 C C2' . 50237 1 39 . 1 . 1 4 4 C C3' C 13 74.877 0.1 . 1 . . . . . 4 C C3' . 50237 1 40 . 1 . 1 4 4 C C4' C 13 83.638 0.1 . 1 . . . . . 4 C C4' . 50237 1 41 . 1 . 1 4 4 C C5 C 13 98.075 0.1 . 1 . . . . . 4 C C5 . 50237 1 42 . 1 . 1 4 4 C C5' C 13 66.177 0.1 . 1 . . . . . 4 C C5' . 50237 1 43 . 1 . 1 4 4 C C6 C 13 142.348 0.1 . 1 . . . . . 4 C C6 . 50237 1 44 . 1 . 1 5 5 C H1' H 1 5.903 0.01 . 1 . . . . . 5 C H1' . 50237 1 45 . 1 . 1 5 5 C H2' H 1 4.503 0.01 . 1 . . . . . 5 C H2' . 50237 1 46 . 1 . 1 5 5 C H3' H 1 4.634 0.01 . 1 . . . . . 5 C H3' . 50237 1 47 . 1 . 1 5 5 C H4' H 1 4.530 0.01 . 1 . . . . . 5 C H4' . 50237 1 48 . 1 . 1 5 5 C H5 H 1 5.767 0.01 . 1 . . . . . 5 C H5 . 50237 1 49 . 1 . 1 5 5 C H5' H 1 4.379 0.01 . 2 . . . . . 5 C H5' . 50237 1 50 . 1 . 1 5 5 C H5'' H 1 4.215 0.01 . 2 . . . . . 5 C H5'' . 50237 1 51 . 1 . 1 5 5 C H6 H 1 7.849 0.01 . 1 . . . . . 5 C H6 . 50237 1 52 . 1 . 1 5 5 C C1' C 13 93.210 0.1 . 1 . . . . . 5 C C1' . 50237 1 53 . 1 . 1 5 5 C C2' C 13 75.866 0.1 . 1 . . . . . 5 C C2' . 50237 1 54 . 1 . 1 5 5 C C3' C 13 75.110 0.1 . 1 . . . . . 5 C C3' . 50237 1 55 . 1 . 1 5 5 C C4' C 13 83.591 0.1 . 1 . . . . . 5 C C4' . 50237 1 56 . 1 . 1 5 5 C C5 C 13 98.707 0.1 . 1 . . . . . 5 C C5 . 50237 1 57 . 1 . 1 5 5 C C5' C 13 66.784 0.1 . 1 . . . . . 5 C C5' . 50237 1 58 . 1 . 1 5 5 C C6 C 13 142.723 0.1 . 1 . . . . . 5 C C6 . 50237 1 59 . 1 . 1 6 6 A H1' H 1 6.013 0.01 . 1 . . . . . 6 A H1' . 50237 1 60 . 1 . 1 6 6 A H2' H 1 4.729 0.01 . 1 . . . . . 6 A H2' . 50237 1 61 . 1 . 1 6 6 A H3' H 1 4.677 0.01 . 1 . . . . . 6 A H3' . 50237 1 62 . 1 . 1 6 6 A H4' H 1 4.570 0.01 . 1 . . . . . 6 A H4' . 50237 1 63 . 1 . 1 6 6 A H5' H 1 4.383 0.01 . 2 . . . . . 6 A H5' . 50237 1 64 . 1 . 1 6 6 A H5'' H 1 4.239 0.01 . 2 . . . . . 6 A H5'' . 50237 1 65 . 1 . 1 6 6 A H8 H 1 7.900 0.01 . 1 . . . . . 6 A H8 . 50237 1 66 . 1 . 1 6 6 A C1' C 13 93.161 0.1 . 1 . . . . . 6 A C1' . 50237 1 67 . 1 . 1 6 6 A C2' C 13 75.978 0.1 . 1 . . . . . 6 A C2' . 50237 1 68 . 1 . 1 6 6 A C3' C 13 73.404 0.1 . 1 . . . . . 6 A C3' . 50237 1 69 . 1 . 1 6 6 A C4' C 13 82.577 0.1 . 1 . . . . . 6 A C4' . 50237 1 70 . 1 . 1 6 6 A C5' C 13 66.310 0.1 . 1 . . . . . 6 A C5' . 50237 1 71 . 1 . 1 6 6 A C8 C 13 146.887 0.1 . 1 . . . . . 6 A C8 . 50237 1 72 . 1 . 1 7 7 C H1' H 1 5.491 0.01 . 1 . . . . . 7 C H1' . 50237 1 73 . 1 . 1 7 7 C H2' H 1 4.554 0.01 . 1 . . . . . 7 C H2' . 50237 1 74 . 1 . 1 7 7 C H3' H 1 4.441 0.01 . 1 . . . . . 7 C H3' . 50237 1 75 . 1 . 1 7 7 C H4' H 1 4.446 0.01 . 1 . . . . . 7 C H4' . 50237 1 76 . 1 . 1 7 7 C H5 H 1 5.173 0.01 . 1 . . . . . 7 C H5 . 50237 1 77 . 1 . 1 7 7 C H5' H 1 4.570 0.01 . 2 . . . . . 7 C H5' . 50237 1 78 . 1 . 1 7 7 C H5'' H 1 4.114 0.01 . 2 . . . . . 7 C H5'' . 50237 1 79 . 1 . 1 7 7 C H6 H 1 7.626 0.01 . 1 . . . . . 7 C H6 . 50237 1 80 . 1 . 1 7 7 C C1' C 13 93.787 0.1 . 1 . . . . . 7 C C1' . 50237 1 81 . 1 . 1 7 7 C C2' C 13 75.358 0.1 . 1 . . . . . 7 C C2' . 50237 1 82 . 1 . 1 7 7 C C3' C 13 72.151 0.1 . 1 . . . . . 7 C C3' . 50237 1 83 . 1 . 1 7 7 C C4' C 13 81.814 0.1 . 1 . . . . . 7 C C4' . 50237 1 84 . 1 . 1 7 7 C C5 C 13 96.907 0.1 . 1 . . . . . 7 C C5 . 50237 1 85 . 1 . 1 7 7 C C5' C 13 64.588 0.1 . 1 . . . . . 7 C C5' . 50237 1 86 . 1 . 1 7 7 C C6 C 13 140.970 0.1 . 1 . . . . . 7 C C6 . 50237 1 87 . 1 . 1 8 8 C H1' H 1 5.498 0.01 . 1 . . . . . 8 C H1' . 50237 1 88 . 1 . 1 8 8 C H2' H 1 4.248 0.01 . 1 . . . . . 8 C H2' . 50237 1 89 . 1 . 1 8 8 C H3' H 1 4.565 0.01 . 1 . . . . . 8 C H3' . 50237 1 90 . 1 . 1 8 8 C H4' H 1 4.407 0.01 . 1 . . . . . 8 C H4' . 50237 1 91 . 1 . 1 8 8 C H5 H 1 5.449 0.01 . 1 . . . . . 8 C H5 . 50237 1 92 . 1 . 1 8 8 C H5' H 1 4.545 0.01 . 2 . . . . . 8 C H5' . 50237 1 93 . 1 . 1 8 8 C H5'' H 1 4.077 0.01 . 2 . . . . . 8 C H5'' . 50237 1 94 . 1 . 1 8 8 C H6 H 1 7.726 0.01 . 1 . . . . . 8 C H6 . 50237 1 95 . 1 . 1 8 8 C C1' C 13 94.200 0.1 . 1 . . . . . 8 C C1' . 50237 1 96 . 1 . 1 8 8 C C2' C 13 75.530 0.1 . 1 . . . . . 8 C C2' . 50237 1 97 . 1 . 1 8 8 C C3' C 13 72.308 0.1 . 1 . . . . . 8 C C3' . 50237 1 98 . 1 . 1 8 8 C C4' C 13 81.827 0.1 . 1 . . . . . 8 C C4' . 50237 1 99 . 1 . 1 8 8 C C5 C 13 97.883 0.1 . 1 . . . . . 8 C C5 . 50237 1 100 . 1 . 1 8 8 C C5' C 13 64.160 0.1 . 1 . . . . . 8 C C5' . 50237 1 101 . 1 . 1 8 8 C C6 C 13 140.923 0.1 . 1 . . . . . 8 C C6 . 50237 1 102 . 1 . 1 9 9 A H1' H 1 5.909 0.01 . 1 . . . . . 9 A H1' . 50237 1 103 . 1 . 1 9 9 A H2 H 1 7.008 0.01 . 1 . . . . . 9 A H2 . 50237 1 104 . 1 . 1 9 9 A H2' H 1 4.613 0.01 . 1 . . . . . 9 A H2' . 50237 1 105 . 1 . 1 9 9 A H3' H 1 4.624 0.01 . 1 . . . . . 9 A H3' . 50237 1 106 . 1 . 1 9 9 A H4' H 1 4.511 0.01 . 1 . . . . . 9 A H4' . 50237 1 107 . 1 . 1 9 9 A H5' H 1 4.537 0.01 . 2 . . . . . 9 A H5' . 50237 1 108 . 1 . 1 9 9 A H5'' H 1 4.169 0.01 . 2 . . . . . 9 A H5'' . 50237 1 109 . 1 . 1 9 9 A H8 H 1 7.934 0.01 . 1 . . . . . 9 A H8 . 50237 1 110 . 1 . 1 9 9 A C1' C 13 92.871 0.1 . 1 . . . . . 9 A C1' . 50237 1 111 . 1 . 1 9 9 A C2 C 13 152.767 0.1 . 1 . . . . . 9 A C2 . 50237 1 112 . 1 . 1 9 9 A C2' C 13 75.780 0.1 . 1 . . . . . 9 A C2' . 50237 1 113 . 1 . 1 9 9 A C3' C 13 73.399 0.1 . 1 . . . . . 9 A C3' . 50237 1 114 . 1 . 1 9 9 A C4' C 13 82.399 0.1 . 1 . . . . . 9 A C4' . 50237 1 115 . 1 . 1 9 9 A C5' C 13 65.793 0.1 . 1 . . . . . 9 A C5' . 50237 1 116 . 1 . 1 9 9 A C8 C 13 139.467 0.1 . 1 . . . . . 9 A C8 . 50237 1 117 . 1 . 1 10 10 A H1' H 1 5.642 0.01 . 1 . . . . . 10 A H1' . 50237 1 118 . 1 . 1 10 10 A H2 H 1 7.815 0.01 . 1 . . . . . 10 A H2 . 50237 1 119 . 1 . 1 10 10 A H2' H 1 4.439 0.01 . 1 . . . . . 10 A H2' . 50237 1 120 . 1 . 1 10 10 A H3' H 1 4.454 0.01 . 1 . . . . . 10 A H3' . 50237 1 121 . 1 . 1 10 10 A H4' H 1 4.458 0.01 . 1 . . . . . 10 A H4' . 50237 1 122 . 1 . 1 10 10 A H5' H 1 4.458 0.01 . 2 . . . . . 10 A H5' . 50237 1 123 . 1 . 1 10 10 A H5'' H 1 4.107 0.01 . 2 . . . . . 10 A H5'' . 50237 1 124 . 1 . 1 10 10 A H8 H 1 7.674 0.01 . 1 . . . . . 10 A H8 . 50237 1 125 . 1 . 1 10 10 A C1' C 13 92.237 0.1 . 1 . . . . . 10 A C1' . 50237 1 126 . 1 . 1 10 10 A C2 C 13 154.570 0.1 . 1 . . . . . 10 A C2 . 50237 1 127 . 1 . 1 10 10 A C2' C 13 75.537 0.1 . 1 . . . . . 10 A C2' . 50237 1 128 . 1 . 1 10 10 A C3' C 13 73.442 0.1 . 1 . . . . . 10 A C3' . 50237 1 129 . 1 . 1 10 10 A C4' C 13 82.824 0.1 . 1 . . . . . 10 A C4' . 50237 1 130 . 1 . 1 10 10 A C5' C 13 65.631 0.1 . 1 . . . . . 10 A C5' . 50237 1 131 . 1 . 1 10 10 A C8 C 13 139.153 0.1 . 1 . . . . . 10 A C8 . 50237 1 132 . 1 . 1 11 11 C H1' H 1 5.298 0.01 . 1 . . . . . 11 C H1' . 50237 1 133 . 1 . 1 11 11 C H2' H 1 4.248 0.01 . 1 . . . . . 11 C H2' . 50237 1 134 . 1 . 1 11 11 C H3' H 1 4.374 0.01 . 1 . . . . . 11 C H3' . 50237 1 135 . 1 . 1 11 11 C H4' H 1 4.262 0.01 . 1 . . . . . 11 C H4' . 50237 1 136 . 1 . 1 11 11 C H5 H 1 5.262 0.01 . 1 . . . . . 11 C H5 . 50237 1 137 . 1 . 1 11 11 C H5' H 1 4.337 0.01 . 2 . . . . . 11 C H5' . 50237 1 138 . 1 . 1 11 11 C H5'' H 1 4.037 0.01 . 2 . . . . . 11 C H5'' . 50237 1 139 . 1 . 1 11 11 C H6 H 1 7.315 0.01 . 1 . . . . . 11 C H6 . 50237 1 140 . 1 . 1 11 11 C C1' C 13 93.085 0.1 . 1 . . . . . 11 C C1' . 50237 1 141 . 1 . 1 11 11 C C2' C 13 75.530 0.1 . 1 . . . . . 11 C C2' . 50237 1 142 . 1 . 1 11 11 C C3' C 13 72.896 0.1 . 1 . . . . . 11 C C3' . 50237 1 143 . 1 . 1 11 11 C C4' C 13 82.426 0.1 . 1 . . . . . 11 C C4' . 50237 1 144 . 1 . 1 11 11 C C5 C 13 97.714 0.1 . 1 . . . . . 11 C C5 . 50237 1 145 . 1 . 1 11 11 C C5' C 13 65.057 0.1 . 1 . . . . . 11 C C5' . 50237 1 146 . 1 . 1 11 11 C C6 C 13 140.317 0.1 . 1 . . . . . 11 C C6 . 50237 1 147 . 1 . 1 12 12 G H1' H 1 5.610 0.01 . 1 . . . . . 12 G H1' . 50237 1 148 . 1 . 1 12 12 G H3' H 1 4.594 0.01 . 1 . . . . . 12 G H3' . 50237 1 149 . 1 . 1 12 12 G H4' H 1 4.344 0.01 . 1 . . . . . 12 G H4' . 50237 1 150 . 1 . 1 12 12 G H5' H 1 4.278 0.01 . 2 . . . . . 12 G H5' . 50237 1 151 . 1 . 1 12 12 G H5'' H 1 4.058 0.01 . 2 . . . . . 12 G H5'' . 50237 1 152 . 1 . 1 12 12 G H8 H 1 7.555 0.01 . 1 . . . . . 12 G H8 . 50237 1 153 . 1 . 1 12 12 G C1' C 13 91.417 0.1 . 1 . . . . . 12 G C1' . 50237 1 154 . 1 . 1 12 12 G C3' C 13 74.135 0.1 . 1 . . . . . 12 G C3' . 50237 1 155 . 1 . 1 12 12 G C4' C 13 83.214 0.1 . 1 . . . . . 12 G C4' . 50237 1 156 . 1 . 1 12 12 G C5' C 13 66.841 0.1 . 1 . . . . . 12 G C5' . 50237 1 157 . 1 . 1 12 12 G C8 C 13 137.999 0.1 . 1 . . . . . 12 G C8 . 50237 1 158 . 1 . 1 13 13 A H1' H 1 5.845 0.01 . 1 . . . . . 13 A H1' . 50237 1 159 . 1 . 1 13 13 A H2 H 1 7.941 0.01 . 1 . . . . . 13 A H2 . 50237 1 160 . 1 . 1 13 13 A H2' H 1 4.529 0.01 . 1 . . . . . 13 A H2' . 50237 1 161 . 1 . 1 13 13 A H3' H 1 4.647 0.01 . 1 . . . . . 13 A H3' . 50237 1 162 . 1 . 1 13 13 A H4' H 1 4.424 0.01 . 1 . . . . . 13 A H4' . 50237 1 163 . 1 . 1 13 13 A H5' H 1 4.367 0.01 . 2 . . . . . 13 A H5' . 50237 1 164 . 1 . 1 13 13 A H5'' H 1 4.099 0.01 . 2 . . . . . 13 A H5'' . 50237 1 165 . 1 . 1 13 13 A H8 H 1 8.041 0.01 . 1 . . . . . 13 A H8 . 50237 1 166 . 1 . 1 13 13 A C1' C 13 91.329 0.1 . 1 . . . . . 13 A C1' . 50237 1 167 . 1 . 1 13 13 A C2 C 13 154.991 0.1 . 1 . . . . . 13 A C2 . 50237 1 168 . 1 . 1 13 13 A C2' C 13 75.826 0.1 . 1 . . . . . 13 A C2' . 50237 1 169 . 1 . 1 13 13 A C3' C 13 74.646 0.1 . 1 . . . . . 13 A C3' . 50237 1 170 . 1 . 1 13 13 A C4' C 13 83.780 0.1 . 1 . . . . . 13 A C4' . 50237 1 171 . 1 . 1 13 13 A C5' C 13 66.060 0.1 . 1 . . . . . 13 A C5' . 50237 1 172 . 1 . 1 13 13 A C8 C 13 140.517 0.1 . 1 . . . . . 13 A C8 . 50237 1 173 . 1 . 1 14 14 C H1' H 1 5.690 0.01 . 1 . . . . . 14 C H1' . 50237 1 174 . 1 . 1 14 14 C H2' H 1 4.190 0.01 . 1 . . . . . 14 C H2' . 50237 1 175 . 1 . 1 14 14 C H3' H 1 4.504 0.01 . 1 . . . . . 14 C H3' . 50237 1 176 . 1 . 1 14 14 C H4' H 1 4.251 0.01 . 1 . . . . . 14 C H4' . 50237 1 177 . 1 . 1 14 14 C H5 H 1 5.555 0.01 . 1 . . . . . 14 C H5 . 50237 1 178 . 1 . 1 14 14 C H5' H 1 4.181 0.01 . 2 . . . . . 14 C H5' . 50237 1 179 . 1 . 1 14 14 C H5'' H 1 4.024 0.01 . 2 . . . . . 14 C H5'' . 50237 1 180 . 1 . 1 14 14 C H6 H 1 7.520 0.01 . 1 . . . . . 14 C H6 . 50237 1 181 . 1 . 1 14 14 C C1' C 13 91.315 0.1 . 1 . . . . . 14 C C1' . 50237 1 182 . 1 . 1 14 14 C C2' C 13 76.029 0.1 . 1 . . . . . 14 C C2' . 50237 1 183 . 1 . 1 14 14 C C3' C 13 71.863 0.1 . 1 . . . . . 14 C C3' . 50237 1 184 . 1 . 1 14 14 C C4' C 13 84.139 0.1 . 1 . . . . . 14 C C4' . 50237 1 185 . 1 . 1 14 14 C C5 C 13 98.392 0.1 . 1 . . . . . 14 C C5 . 50237 1 186 . 1 . 1 14 14 C C5' C 13 66.836 0.1 . 1 . . . . . 14 C C5' . 50237 1 187 . 1 . 1 14 14 C C6 C 13 142.397 0.1 . 1 . . . . . 14 C C6 . 50237 1 188 . 1 . 1 15 15 A H1' H 1 5.999 0.01 . 1 . . . . . 15 A H1' . 50237 1 189 . 1 . 1 15 15 A H2 H 1 8.014 0.01 . 1 . . . . . 15 A H2 . 50237 1 190 . 1 . 1 15 15 A H3' H 1 4.712 0.01 . 1 . . . . . 15 A H3' . 50237 1 191 . 1 . 1 15 15 A H4' H 1 4.505 0.01 . 1 . . . . . 15 A H4' . 50237 1 192 . 1 . 1 15 15 A H5' H 1 4.217 0.01 . 2 . . . . . 15 A H5' . 50237 1 193 . 1 . 1 15 15 A H5'' H 1 4.115 0.01 . 2 . . . . . 15 A H5'' . 50237 1 194 . 1 . 1 15 15 A H8 H 1 8.266 0.01 . 1 . . . . . 15 A H8 . 50237 1 195 . 1 . 1 15 15 A C1' C 13 90.151 0.1 . 1 . . . . . 15 A C1' . 50237 1 196 . 1 . 1 15 15 A C2 C 13 155.232 0.1 . 1 . . . . . 15 A C2 . 50237 1 197 . 1 . 1 15 15 A C3' C 13 76.772 0.1 . 1 . . . . . 15 A C3' . 50237 1 198 . 1 . 1 15 15 A C4' C 13 85.044 0.1 . 1 . . . . . 15 A C4' . 50237 1 199 . 1 . 1 15 15 A C5' C 13 67.448 0.1 . 1 . . . . . 15 A C5' . 50237 1 200 . 1 . 1 15 15 A C8 C 13 141.584 0.1 . 1 . . . . . 15 A C8 . 50237 1 201 . 1 . 1 16 16 U H1' H 1 5.840 0.01 . 1 . . . . . 16 U H1' . 50237 1 202 . 1 . 1 16 16 U H2' H 1 4.383 0.01 . 1 . . . . . 16 U H2' . 50237 1 203 . 1 . 1 16 16 U H3' H 1 4.522 0.01 . 1 . . . . . 16 U H3' . 50237 1 204 . 1 . 1 16 16 U H5 H 1 5.737 0.01 . 1 . . . . . 16 U H5 . 50237 1 205 . 1 . 1 16 16 U H5' H 1 4.250 0.01 . 2 . . . . . 16 U H5' . 50237 1 206 . 1 . 1 16 16 U H5'' H 1 4.132 0.01 . 2 . . . . . 16 U H5'' . 50237 1 207 . 1 . 1 16 16 U H6 H 1 7.772 0.01 . 1 . . . . . 16 U H6 . 50237 1 208 . 1 . 1 16 16 U C1' C 13 90.843 0.1 . 1 . . . . . 16 U C1' . 50237 1 209 . 1 . 1 16 16 U C2' C 13 75.556 0.1 . 1 . . . . . 16 U C2' . 50237 1 210 . 1 . 1 16 16 U C3' C 13 80.881 0.1 . 1 . . . . . 16 U C3' . 50237 1 211 . 1 . 1 16 16 U C5 C 13 105.077 0.1 . 1 . . . . . 16 U C5 . 50237 1 212 . 1 . 1 16 16 U C5' C 13 67.512 0.1 . 1 . . . . . 16 U C5' . 50237 1 213 . 1 . 1 16 16 U C6 C 13 143.597 0.1 . 1 . . . . . 16 U C6 . 50237 1 214 . 1 . 1 17 17 U H1' H 1 5.840 0.01 . 1 . . . . . 17 U H1' . 50237 1 215 . 1 . 1 17 17 U H2' H 1 4.333 0.01 . 1 . . . . . 17 U H2' . 50237 1 216 . 1 . 1 17 17 U H3' H 1 4.471 0.01 . 1 . . . . . 17 U H3' . 50237 1 217 . 1 . 1 17 17 U H5 H 1 5.817 0.01 . 1 . . . . . 17 U H5 . 50237 1 218 . 1 . 1 17 17 U H5' H 1 4.250 0.01 . 2 . . . . . 17 U H5' . 50237 1 219 . 1 . 1 17 17 U H5'' H 1 4.101 0.01 . 2 . . . . . 17 U H5'' . 50237 1 220 . 1 . 1 17 17 U H6 H 1 7.778 0.01 . 1 . . . . . 17 U H6 . 50237 1 221 . 1 . 1 17 17 U C1' C 13 90.843 0.1 . 1 . . . . . 17 U C1' . 50237 1 222 . 1 . 1 17 17 U C2' C 13 75.608 0.1 . 1 . . . . . 17 U C2' . 50237 1 223 . 1 . 1 17 17 U C3' C 13 80.768 0.1 . 1 . . . . . 17 U C3' . 50237 1 224 . 1 . 1 17 17 U C5 C 13 105.251 0.1 . 1 . . . . . 17 U C5 . 50237 1 225 . 1 . 1 17 17 U C5' C 13 67.527 0.1 . 1 . . . . . 17 U C5' . 50237 1 226 . 1 . 1 17 17 U C6 C 13 143.589 0.1 . 1 . . . . . 17 U C6 . 50237 1 227 . 1 . 1 18 18 G H1' H 1 5.704 0.01 . 1 . . . . . 18 G H1' . 50237 1 228 . 1 . 1 18 18 G H3' H 1 4.780 0.01 . 1 . . . . . 18 G H3' . 50237 1 229 . 1 . 1 18 18 G H4' H 1 4.442 0.01 . 1 . . . . . 18 G H4' . 50237 1 230 . 1 . 1 18 18 G H5' H 1 4.128 0.01 . 2 . . . . . 18 G H5' . 50237 1 231 . 1 . 1 18 18 G H8 H 1 7.935 0.01 . 1 . . . . . 18 G H8 . 50237 1 232 . 1 . 1 18 18 G C1' C 13 88.940 0.1 . 1 . . . . . 18 G C1' . 50237 1 233 . 1 . 1 18 18 G C3' C 13 76.751 0.1 . 1 . . . . . 18 G C3' . 50237 1 234 . 1 . 1 18 18 G C4' C 13 84.550 0.1 . 1 . . . . . 18 G C4' . 50237 1 235 . 1 . 1 18 18 G C5' C 13 68.331 0.1 . 1 . . . . . 18 G C5' . 50237 1 236 . 1 . 1 18 18 G C8 C 13 139.014 0.1 . 1 . . . . . 18 G C8 . 50237 1 237 . 1 . 1 19 19 A H1' H 1 5.999 0.01 . 1 . . . . . 19 A H1' . 50237 1 238 . 1 . 1 19 19 A H2 H 1 8.044 0.01 . 1 . . . . . 19 A H2 . 50237 1 239 . 1 . 1 19 19 A H2' H 1 4.775 0.01 . 1 . . . . . 19 A H2' . 50237 1 240 . 1 . 1 19 19 A H3' H 1 4.811 0.01 . 1 . . . . . 19 A H3' . 50237 1 241 . 1 . 1 19 19 A H4' H 1 4.567 0.01 . 1 . . . . . 19 A H4' . 50237 1 242 . 1 . 1 19 19 A H5' H 1 4.362 0.01 . 2 . . . . . 19 A H5' . 50237 1 243 . 1 . 1 19 19 A H5'' H 1 4.243 0.01 . 2 . . . . . 19 A H5'' . 50237 1 244 . 1 . 1 19 19 A H8 H 1 8.291 0.01 . 1 . . . . . 19 A H8 . 50237 1 245 . 1 . 1 19 19 A C1' C 13 90.151 0.1 . 1 . . . . . 19 A C1' . 50237 1 246 . 1 . 1 19 19 A C2 C 13 155.197 0.1 . 1 . . . . . 19 A C2 . 50237 1 247 . 1 . 1 19 19 A C2' C 13 75.967 0.1 . 1 . . . . . 19 A C2' . 50237 1 248 . 1 . 1 19 19 A C3' C 13 76.279 0.1 . 1 . . . . . 19 A C3' . 50237 1 249 . 1 . 1 19 19 A C4' C 13 84.916 0.1 . 1 . . . . . 19 A C4' . 50237 1 250 . 1 . 1 19 19 A C5' C 13 67.354 0.1 . 1 . . . . . 19 A C5' . 50237 1 251 . 1 . 1 19 19 A C8 C 13 141.600 0.1 . 1 . . . . . 19 A C8 . 50237 1 252 . 1 . 1 20 20 U H1' H 1 5.855 0.01 . 1 . . . . . 20 U H1' . 50237 1 253 . 1 . 1 20 20 U H2' H 1 4.383 0.01 . 1 . . . . . 20 U H2' . 50237 1 254 . 1 . 1 20 20 U H3' H 1 4.672 0.01 . 1 . . . . . 20 U H3' . 50237 1 255 . 1 . 1 20 20 U H4' H 1 4.482 0.01 . 1 . . . . . 20 U H4' . 50237 1 256 . 1 . 1 20 20 U H5 H 1 5.628 0.01 . 1 . . . . . 20 U H5 . 50237 1 257 . 1 . 1 20 20 U H5' H 1 4.316 0.01 . 2 . . . . . 20 U H5' . 50237 1 258 . 1 . 1 20 20 U H5'' H 1 4.206 0.01 . 2 . . . . . 20 U H5'' . 50237 1 259 . 1 . 1 20 20 U H6 H 1 7.721 0.01 . 1 . . . . . 20 U H6 . 50237 1 260 . 1 . 1 20 20 U C1' C 13 90.843 0.1 . 1 . . . . . 20 U C1' . 50237 1 261 . 1 . 1 20 20 U C2' C 13 75.556 0.1 . 1 . . . . . 20 U C2' . 50237 1 262 . 1 . 1 20 20 U C3' C 13 76.246 0.1 . 1 . . . . . 20 U C3' . 50237 1 263 . 1 . 1 20 20 U C4' C 13 84.882 0.1 . 1 . . . . . 20 U C4' . 50237 1 264 . 1 . 1 20 20 U C5 C 13 104.998 0.1 . 1 . . . . . 20 U C5 . 50237 1 265 . 1 . 1 20 20 U C5' C 13 67.343 0.1 . 1 . . . . . 20 U C5' . 50237 1 266 . 1 . 1 20 20 U C6 C 13 143.202 0.1 . 1 . . . . . 20 U C6 . 50237 1 267 . 1 . 1 21 21 A H1' H 1 5.967 0.01 . 1 . . . . . 21 A H1' . 50237 1 268 . 1 . 1 21 21 A H2 H 1 7.964 0.01 . 1 . . . . . 21 A H2 . 50237 1 269 . 1 . 1 21 21 A H2' H 1 4.714 0.01 . 1 . . . . . 21 A H2' . 50237 1 270 . 1 . 1 21 21 A H3' H 1 4.690 0.01 . 1 . . . . . 21 A H3' . 50237 1 271 . 1 . 1 21 21 A H4' H 1 4.552 0.01 . 1 . . . . . 21 A H4' . 50237 1 272 . 1 . 1 21 21 A H5' H 1 4.362 0.01 . 2 . . . . . 21 A H5' . 50237 1 273 . 1 . 1 21 21 A H5'' H 1 4.219 0.01 . 2 . . . . . 21 A H5'' . 50237 1 274 . 1 . 1 21 21 A H8 H 1 8.266 0.01 . 1 . . . . . 21 A H8 . 50237 1 275 . 1 . 1 21 21 A C1' C 13 91.119 0.1 . 1 . . . . . 21 A C1' . 50237 1 276 . 1 . 1 21 21 A C2 C 13 154.945 0.1 . 1 . . . . . 21 A C2 . 50237 1 277 . 1 . 1 21 21 A C2' C 13 75.364 0.1 . 1 . . . . . 21 A C2' . 50237 1 278 . 1 . 1 21 21 A C3' C 13 75.677 0.1 . 1 . . . . . 21 A C3' . 50237 1 279 . 1 . 1 21 21 A C4' C 13 84.490 0.1 . 1 . . . . . 21 A C4' . 50237 1 280 . 1 . 1 21 21 A C5' C 13 67.316 0.1 . 1 . . . . . 21 A C5' . 50237 1 281 . 1 . 1 21 21 A C8 C 13 141.584 0.1 . 1 . . . . . 21 A C8 . 50237 1 282 . 1 . 1 22 22 U H1' H 1 5.596 0.01 . 1 . . . . . 22 U H1' . 50237 1 283 . 1 . 1 22 22 U H2' H 1 4.607 0.01 . 1 . . . . . 22 U H2' . 50237 1 284 . 1 . 1 22 22 U H3' H 1 4.602 0.01 . 1 . . . . . 22 U H3' . 50237 1 285 . 1 . 1 22 22 U H4' H 1 4.509 0.01 . 1 . . . . . 22 U H4' . 50237 1 286 . 1 . 1 22 22 U H5 H 1 5.596 0.01 . 1 . . . . . 22 U H5 . 50237 1 287 . 1 . 1 22 22 U H5' H 1 4.434 0.01 . 2 . . . . . 22 U H5' . 50237 1 288 . 1 . 1 22 22 U H5'' H 1 4.195 0.01 . 2 . . . . . 22 U H5'' . 50237 1 289 . 1 . 1 22 22 U H6 H 1 7.811 0.01 . 1 . . . . . 22 U H6 . 50237 1 290 . 1 . 1 22 22 U C1' C 13 92.563 0.1 . 1 . . . . . 22 U C1' . 50237 1 291 . 1 . 1 22 22 U C2' C 13 75.115 0.1 . 1 . . . . . 22 U C2' . 50237 1 292 . 1 . 1 22 22 U C3' C 13 74.101 0.1 . 1 . . . . . 22 U C3' . 50237 1 293 . 1 . 1 22 22 U C4' C 13 83.184 0.1 . 1 . . . . . 22 U C4' . 50237 1 294 . 1 . 1 22 22 U C5 C 13 104.284 0.1 . 1 . . . . . 22 U C5 . 50237 1 295 . 1 . 1 22 22 U C5' C 13 66.117 0.1 . 1 . . . . . 22 U C5' . 50237 1 296 . 1 . 1 22 22 U C6 C 13 142.661 0.1 . 1 . . . . . 22 U C6 . 50237 1 297 . 1 . 1 23 23 G H1 H 1 11.902 0.01 . 1 . . . . . 23 G H1 . 50237 1 298 . 1 . 1 23 23 G H1' H 1 5.847 0.01 . 1 . . . . . 23 G H1' . 50237 1 299 . 1 . 1 23 23 G H2' H 1 4.601 0.01 . 1 . . . . . 23 G H2' . 50237 1 300 . 1 . 1 23 23 G H3' H 1 4.594 0.01 . 1 . . . . . 23 G H3' . 50237 1 301 . 1 . 1 23 23 G H5' H 1 4.480 0.01 . 2 . . . . . 23 G H5' . 50237 1 302 . 1 . 1 23 23 G H5'' H 1 4.247 0.01 . 2 . . . . . 23 G H5'' . 50237 1 303 . 1 . 1 23 23 G H8 H 1 7.819 0.01 . 1 . . . . . 23 G H8 . 50237 1 304 . 1 . 1 23 23 G C1' C 13 91.898 0.1 . 1 . . . . . 23 G C1' . 50237 1 305 . 1 . 1 23 23 G C2' C 13 75.561 0.1 . 1 . . . . . 23 G C2' . 50237 1 306 . 1 . 1 23 23 G C3' C 13 73.397 0.1 . 1 . . . . . 23 G C3' . 50237 1 307 . 1 . 1 23 23 G C5' C 13 67.114 0.1 . 1 . . . . . 23 G C5' . 50237 1 308 . 1 . 1 23 23 G C8 C 13 137.067 0.1 . 1 . . . . . 23 G C8 . 50237 1 309 . 1 . 1 23 23 G N1 N 15 146.603 0.1 . 1 . . . . . 23 G N1 . 50237 1 310 . 1 . 1 24 24 G H1 H 1 13.242 0.01 . 1 . . . . . 24 G H1 . 50237 1 311 . 1 . 1 24 24 G H1' H 1 5.736 0.01 . 1 . . . . . 24 G H1' . 50237 1 312 . 1 . 1 24 24 G H2' H 1 4.524 0.01 . 1 . . . . . 24 G H2' . 50237 1 313 . 1 . 1 24 24 G H3' H 1 4.457 0.01 . 1 . . . . . 24 G H3' . 50237 1 314 . 1 . 1 24 24 G H5' H 1 4.532 0.01 . 2 . . . . . 24 G H5' . 50237 1 315 . 1 . 1 24 24 G H5'' H 1 4.110 0.01 . 2 . . . . . 24 G H5'' . 50237 1 316 . 1 . 1 24 24 G H8 H 1 7.275 0.01 . 1 . . . . . 24 G H8 . 50237 1 317 . 1 . 1 24 24 G C1' C 13 92.367 0.1 . 1 . . . . . 24 G C1' . 50237 1 318 . 1 . 1 24 24 G C2' C 13 75.565 0.1 . 1 . . . . . 24 G C2' . 50237 1 319 . 1 . 1 24 24 G C3' C 13 73.156 0.1 . 1 . . . . . 24 G C3' . 50237 1 320 . 1 . 1 24 24 G C5' C 13 66.131 0.1 . 1 . . . . . 24 G C5' . 50237 1 321 . 1 . 1 24 24 G C8 C 13 136.189 0.1 . 1 . . . . . 24 G C8 . 50237 1 322 . 1 . 1 24 24 G N1 N 15 147.743 0.1 . 1 . . . . . 24 G N1 . 50237 1 323 . 1 . 1 25 25 U H1' H 1 5.539 0.01 . 1 . . . . . 25 U H1' . 50237 1 324 . 1 . 1 25 25 U H2' H 1 4.706 0.01 . 1 . . . . . 25 U H2' . 50237 1 325 . 1 . 1 25 25 U H3 H 1 13.627 0.01 . 1 . . . . . 25 U H3 . 50237 1 326 . 1 . 1 25 25 U H3' H 1 4.500 0.01 . 1 . . . . . 25 U H3' . 50237 1 327 . 1 . 1 25 25 U H4' H 1 4.462 0.01 . 1 . . . . . 25 U H4' . 50237 1 328 . 1 . 1 25 25 U H5 H 1 5.116 0.01 . 1 . . . . . 25 U H5 . 50237 1 329 . 1 . 1 25 25 U H5' H 1 4.540 0.01 . 2 . . . . . 25 U H5' . 50237 1 330 . 1 . 1 25 25 U H5'' H 1 4.098 0.01 . 2 . . . . . 25 U H5'' . 50237 1 331 . 1 . 1 25 25 U H6 H 1 7.604 0.01 . 1 . . . . . 25 U H6 . 50237 1 332 . 1 . 1 25 25 U C1' C 13 93.592 0.1 . 1 . . . . . 25 U C1' . 50237 1 333 . 1 . 1 25 25 U C2' C 13 75.192 0.1 . 1 . . . . . 25 U C2' . 50237 1 334 . 1 . 1 25 25 U C3' C 13 72.295 0.1 . 1 . . . . . 25 U C3' . 50237 1 335 . 1 . 1 25 25 U C4' C 13 82.039 0.1 . 1 . . . . . 25 U C4' . 50237 1 336 . 1 . 1 25 25 U C5 C 13 103.308 0.1 . 1 . . . . . 25 U C5 . 50237 1 337 . 1 . 1 25 25 U C5' C 13 64.581 0.1 . 1 . . . . . 25 U C5' . 50237 1 338 . 1 . 1 25 25 U C6 C 13 140.770 0.1 . 1 . . . . . 25 U C6 . 50237 1 339 . 1 . 1 25 25 U N3 N 15 162.154 0.1 . 1 . . . . . 25 U N3 . 50237 1 340 . 1 . 1 26 26 G H1 H 1 12.705 0.01 . 1 . . . . . 26 G H1 . 50237 1 341 . 1 . 1 26 26 G H1' H 1 5.736 0.01 . 1 . . . . . 26 G H1' . 50237 1 342 . 1 . 1 26 26 G H2' H 1 4.480 0.01 . 1 . . . . . 26 G H2' . 50237 1 343 . 1 . 1 26 26 G H3' H 1 4.565 0.01 . 1 . . . . . 26 G H3' . 50237 1 344 . 1 . 1 26 26 G H5' H 1 4.553 0.01 . 2 . . . . . 26 G H5' . 50237 1 345 . 1 . 1 26 26 G H5'' H 1 4.137 0.01 . 2 . . . . . 26 G H5'' . 50237 1 346 . 1 . 1 26 26 G H8 H 1 7.694 0.01 . 1 . . . . . 26 G H8 . 50237 1 347 . 1 . 1 26 26 G C1' C 13 92.367 0.1 . 1 . . . . . 26 G C1' . 50237 1 348 . 1 . 1 26 26 G C2' C 13 75.585 0.1 . 1 . . . . . 26 G C2' . 50237 1 349 . 1 . 1 26 26 G C3' C 13 73.130 0.1 . 1 . . . . . 26 G C3' . 50237 1 350 . 1 . 1 26 26 G C5' C 13 66.198 0.1 . 1 . . . . . 26 G C5' . 50237 1 351 . 1 . 1 26 26 G C8 C 13 135.963 0.1 . 1 . . . . . 26 G C8 . 50237 1 352 . 1 . 1 26 26 G N1 N 15 147.763 0.1 . 1 . . . . . 26 G N1 . 50237 1 353 . 1 . 1 27 27 C H1' H 1 5.403 0.01 . 1 . . . . . 27 C H1' . 50237 1 354 . 1 . 1 27 27 C H2' H 1 4.329 0.01 . 1 . . . . . 27 C H2' . 50237 1 355 . 1 . 1 27 27 C H3' H 1 4.504 0.01 . 1 . . . . . 27 C H3' . 50237 1 356 . 1 . 1 27 27 C H4' H 1 4.407 0.01 . 1 . . . . . 27 C H4' . 50237 1 357 . 1 . 1 27 27 C H5 H 1 5.380 0.01 . 1 . . . . . 27 C H5 . 50237 1 358 . 1 . 1 27 27 C H5' H 1 4.539 0.01 . 2 . . . . . 27 C H5' . 50237 1 359 . 1 . 1 27 27 C H5'' H 1 4.074 0.01 . 2 . . . . . 27 C H5'' . 50237 1 360 . 1 . 1 27 27 C H6 H 1 7.757 0.01 . 1 . . . . . 27 C H6 . 50237 1 361 . 1 . 1 27 27 C C1' C 13 93.845 0.1 . 1 . . . . . 27 C C1' . 50237 1 362 . 1 . 1 27 27 C C2' C 13 75.299 0.1 . 1 . . . . . 27 C C2' . 50237 1 363 . 1 . 1 27 27 C C3' C 13 71.863 0.1 . 1 . . . . . 27 C C3' . 50237 1 364 . 1 . 1 27 27 C C4' C 13 81.827 0.1 . 1 . . . . . 27 C C4' . 50237 1 365 . 1 . 1 27 27 C C5 C 13 97.005 0.1 . 1 . . . . . 27 C C5 . 50237 1 366 . 1 . 1 27 27 C C5' C 13 64.217 0.1 . 1 . . . . . 27 C C5' . 50237 1 367 . 1 . 1 27 27 C C6 C 13 140.887 0.1 . 1 . . . . . 27 C C6 . 50237 1 368 . 1 . 1 28 28 C H1' H 1 5.498 0.01 . 1 . . . . . 28 C H1' . 50237 1 369 . 1 . 1 28 28 C H2' H 1 4.290 0.01 . 1 . . . . . 28 C H2' . 50237 1 370 . 1 . 1 28 28 C H3' H 1 4.504 0.01 . 1 . . . . . 28 C H3' . 50237 1 371 . 1 . 1 28 28 C H4' H 1 4.377 0.01 . 1 . . . . . 28 C H4' . 50237 1 372 . 1 . 1 28 28 C H5 H 1 5.528 0.01 . 1 . . . . . 28 C H5 . 50237 1 373 . 1 . 1 28 28 C H5'' H 1 4.054 0.01 . 2 . . . . . 28 C H5'' . 50237 1 374 . 1 . 1 28 28 C H6 H 1 7.862 0.01 . 1 . . . . . 28 C H6 . 50237 1 375 . 1 . 1 28 28 C C1' C 13 94.200 0.1 . 1 . . . . . 28 C C1' . 50237 1 376 . 1 . 1 28 28 C C2' C 13 75.540 0.1 . 1 . . . . . 28 C C2' . 50237 1 377 . 1 . 1 28 28 C C3' C 13 71.863 0.1 . 1 . . . . . 28 C C3' . 50237 1 378 . 1 . 1 28 28 C C4' C 13 81.848 0.1 . 1 . . . . . 28 C C4' . 50237 1 379 . 1 . 1 28 28 C C5 C 13 97.427 0.1 . 1 . . . . . 28 C C5 . 50237 1 380 . 1 . 1 28 28 C C5' C 13 64.217 0.1 . 1 . . . . . 28 C C5' . 50237 1 381 . 1 . 1 28 28 C C6 C 13 141.507 0.1 . 1 . . . . . 28 C C6 . 50237 1 382 . 1 . 1 29 29 C H1' H 1 5.756 0.01 . 1 . . . . . 29 C H1' . 50237 1 383 . 1 . 1 29 29 C H2' H 1 4.020 0.01 . 1 . . . . . 29 C H2' . 50237 1 384 . 1 . 1 29 29 C H3' H 1 4.194 0.01 . 1 . . . . . 29 C H3' . 50237 1 385 . 1 . 1 29 29 C H4' H 1 4.180 0.01 . 1 . . . . . 29 C H4' . 50237 1 386 . 1 . 1 29 29 C H5 H 1 5.511 0.01 . 1 . . . . . 29 C H5 . 50237 1 387 . 1 . 1 29 29 C H5' H 1 4.497 0.01 . 2 . . . . . 29 C H5' . 50237 1 388 . 1 . 1 29 29 C H5'' H 1 4.038 0.01 . 2 . . . . . 29 C H5'' . 50237 1 389 . 1 . 1 29 29 C H6 H 1 7.704 0.01 . 1 . . . . . 29 C H6 . 50237 1 390 . 1 . 1 29 29 C C1' C 13 92.874 0.1 . 1 . . . . . 29 C C1' . 50237 1 391 . 1 . 1 29 29 C C2' C 13 77.514 0.1 . 1 . . . . . 29 C C2' . 50237 1 392 . 1 . 1 29 29 C C3' C 13 69.629 0.1 . 1 . . . . . 29 C C3' . 50237 1 393 . 1 . 1 29 29 C C4' C 13 83.404 0.1 . 1 . . . . . 29 C C4' . 50237 1 394 . 1 . 1 29 29 C C5 C 13 98.075 0.1 . 1 . . . . . 29 C C5 . 50237 1 395 . 1 . 1 29 29 C C5' C 13 65.109 0.1 . 1 . . . . . 29 C C5' . 50237 1 396 . 1 . 1 29 29 C C6 C 13 141.824 0.1 . 1 . . . . . 29 C C6 . 50237 1 stop_ save_