data_26934 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26934 _Entry.Title ; Solution Structure of first stem-loop of Escherichia coli DsrA RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-04 _Entry.Accession_date 2016-11-04 _Entry.Last_release_date 2016-11-04 _Entry.Original_release_date 2016-11-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Pengzhi Wu . . . . 26934 2 Jihui Wu . . . . 26934 3 Yunyu Shi . . . . 26934 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26934 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 140 26934 '15N chemical shifts' 27 26934 '1H chemical shifts' 203 26934 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 . . 2018-06-26 . original BMRB . 26934 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26934 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28934467 _Citation.Full_citation . _Citation.Title ; The important conformational plasticity of DsrA sRNA for adapting multiple target regulation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 45 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 9625 _Citation.Page_last 9639 _Citation.Year 2017 _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 Pengzhi Wu . . . . 26934 1 2 Xiaodan Liu . . . . 26934 1 3 Lingna Yang . . . . 26934 1 4 Yitong Sun . . . . 26934 1 5 Qingguo Gong . . . . 26934 1 6 Jihui Wu . . . . 26934 1 7 Yunyu Shi . . . . 26934 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26934 _Assembly.ID 1 _Assembly.Name 'first stem-loop of DsrA RNA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA (23-MER)' 1 $RNA_(23-MER) A . yes native no no . . . 26934 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(23-MER) _Entity.Sf_category entity _Entity.Sf_framecode RNA_(23-MER) _Entity.Entry_ID 26934 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(23-MER) _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 ; GGACAUCAGAUUUCCUGGUG UCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 26934 1 2 . G . 26934 1 3 . A . 26934 1 4 . C . 26934 1 5 . A . 26934 1 6 . U . 26934 1 7 . C . 26934 1 8 . A . 26934 1 9 . G . 26934 1 10 . A . 26934 1 11 . U . 26934 1 12 . U . 26934 1 13 . U . 26934 1 14 . C . 26934 1 15 . C . 26934 1 16 . U . 26934 1 17 . G . 26934 1 18 . G . 26934 1 19 . U . 26934 1 20 . G . 26934 1 21 . U . 26934 1 22 . C . 26934 1 23 . C . 26934 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 26934 1 . G 2 2 26934 1 . A 3 3 26934 1 . C 4 4 26934 1 . A 5 5 26934 1 . U 6 6 26934 1 . C 7 7 26934 1 . A 8 8 26934 1 . G 9 9 26934 1 . A 10 10 26934 1 . U 11 11 26934 1 . U 12 12 26934 1 . U 13 13 26934 1 . C 14 14 26934 1 . C 15 15 26934 1 . U 16 16 26934 1 . G 17 17 26934 1 . G 18 18 26934 1 . U 19 19 26934 1 . G 20 20 26934 1 . U 21 21 26934 1 . C 22 22 26934 1 . C 23 23 26934 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26934 _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 $RNA_(23-MER) . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26934 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26934 _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 $RNA_(23-MER) . 'enzymatic semisynthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . puC19 . . . 26934 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26934 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA_(23-MER) 'natural abundance' . . 1 $RNA_(23-MER) . . 0.7 . . mM . . . . 26934 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26934 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26934 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26934 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA_(23-MER) 'natural abundance' . . 1 $RNA_(23-MER) . . 0.7 . . mM . . . . 26934 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26934 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26934 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26934 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA_(23-MER) '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(23-MER) . . 0.7 . . mM . . . . 26934 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26934 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26934 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 26934 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RNA_(23-MER) '[U-100% 13C; U-100% 15N]' . . 1 $RNA_(23-MER) . . 0.7 . . mM . . . . 26934 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26934 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26934 4 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 26934 _Sample_condition_list.ID 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' 60 . mM 26934 1 pH 6.5 . pH 26934 1 pressure 1 . atm 26934 1 temperature 283 . K 26934 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 26934 _Sample_condition_list.ID 2 _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' 60 . mM 26934 2 pH 6.5 . pH 26934 2 pressure 1 . atm 26934 2 temperature 303 . K 26934 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26934 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26934 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26934 1 'peak picking' 26934 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 26934 _Software.ID 2 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26934 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26934 2 processing 26934 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26934 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26934 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 26934 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 26934 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 26934 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26934 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26934 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26934 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26934 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 26934 1 2 spectrometer_2 Varian 'Uniform NMR System' . 700 . . . 26934 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26934 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 2 '2D 1H-15N HNN-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 4 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 7 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 11 '2D HCN' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 12 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26934 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26934 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26934 _Chem_shift_reference.ID 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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26934 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26934 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26934 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26934 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HNN-COSY' . . . 26934 1 4 '2D 1H-15N HSQC NH2 only' . . . 26934 1 9 '2D 1H-13C HSQC aliphatic' . . . 26934 1 10 '2D 1H-13C HSQC aromatic' . . . 26934 1 13 '3D HCCH-TOCSY' . . . 26934 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 5.812 0.004 . 1 . . . . . 1 G H1' . 26934 1 2 . 1 1 1 1 G H2' H 1 4.938 0.003 . 1 . . . . . 1 G H2' . 26934 1 3 . 1 1 1 1 G H3' H 1 4.741 0.003 . 1 . . . . . 1 G H3' . 26934 1 4 . 1 1 1 1 G H4' H 1 4.547 0.003 . 1 . . . . . 1 G H4' . 26934 1 5 . 1 1 1 1 G H5' H 1 4.403 0.017 . 2 . . . . . 1 G H5' . 26934 1 6 . 1 1 1 1 G H5'' H 1 4.261 0.008 . 2 . . . . . 1 G H5'' . 26934 1 7 . 1 1 1 1 G H8 H 1 8.134 0.000 . 1 . . . . . 1 G H8 . 26934 1 8 . 1 1 1 1 G C1' C 13 91.292 0.025 . 1 . . . . . 1 G C1' . 26934 1 9 . 1 1 1 1 G C2' C 13 74.926 0.042 . 1 . . . . . 1 G C2' . 26934 1 10 . 1 1 1 1 G C3' C 13 74.704 0.052 . 1 . . . . . 1 G C3' . 26934 1 11 . 1 1 1 1 G C4' C 13 83.487 0.122 . 1 . . . . . 1 G C4' . 26934 1 12 . 1 1 1 1 G C5' C 13 67.001 0.088 . 1 . . . . . 1 G C5' . 26934 1 13 . 1 1 1 1 G C8 C 13 139.069 0.000 . 1 . . . . . 1 G C8 . 26934 1 14 . 1 1 2 2 G H1 H 1 12.589 0.000 . 1 . . . . . 2 G H1 . 26934 1 15 . 1 1 2 2 G H1' H 1 5.886 0.004 . 1 . . . . . 2 G H1' . 26934 1 16 . 1 1 2 2 G H2' H 1 4.637 0.012 . 1 . . . . . 2 G H2' . 26934 1 17 . 1 1 2 2 G H3' H 1 4.621 0.003 . 1 . . . . . 2 G H3' . 26934 1 18 . 1 1 2 2 G H4' H 1 4.580 0.003 . 1 . . . . . 2 G H4' . 26934 1 19 . 1 1 2 2 G H5' H 1 4.458 0.095 . 2 . . . . . 2 G H5' . 26934 1 20 . 1 1 2 2 G H5'' H 1 4.295 0.005 . 2 . . . . . 2 G H5'' . 26934 1 21 . 1 1 2 2 G H8 H 1 7.578 0.000 . 1 . . . . . 2 G H8 . 26934 1 22 . 1 1 2 2 G C1' C 13 92.891 0.047 . 1 . . . . . 2 G C1' . 26934 1 23 . 1 1 2 2 G C2' C 13 73.364 0.000 . 1 . . . . . 2 G C2' . 26934 1 24 . 1 1 2 2 G C3' C 13 72.877 0.000 . 1 . . . . . 2 G C3' . 26934 1 25 . 1 1 2 2 G C4' C 13 82.634 0.133 . 1 . . . . . 2 G C4' . 26934 1 26 . 1 1 2 2 G C5' C 13 66.283 0.006 . 1 . . . . . 2 G C5' . 26934 1 27 . 1 1 2 2 G C8 C 13 137.001 0.000 . 1 . . . . . 2 G C8 . 26934 1 28 . 1 1 2 2 G N1 N 15 146.907 0.000 . 1 . . . . . 2 G N1 . 26934 1 29 . 1 1 3 3 A H1' H 1 5.999 0.003 . 1 . . . . . 3 A H1' . 26934 1 30 . 1 1 3 3 A H2 H 1 7.742 0.008 . 1 . . . . . 3 A H2 . 26934 1 31 . 1 1 3 3 A H2' H 1 4.554 0.004 . 1 . . . . . 3 A H2' . 26934 1 32 . 1 1 3 3 A H3' H 1 4.660 0.004 . 1 . . . . . 3 A H3' . 26934 1 33 . 1 1 3 3 A H4' H 1 4.528 0.015 . 1 . . . . . 3 A H4' . 26934 1 34 . 1 1 3 3 A H5' H 1 4.411 0.241 . 2 . . . . . 3 A H5' . 26934 1 35 . 1 1 3 3 A H5'' H 1 4.156 0.030 . 2 . . . . . 3 A H5'' . 26934 1 36 . 1 1 3 3 A H8 H 1 7.891 0.000 . 1 . . . . . 3 A H8 . 26934 1 37 . 1 1 3 3 A C1' C 13 92.903 0.097 . 1 . . . . . 3 A C1' . 26934 1 38 . 1 1 3 3 A C2 C 13 153.945 0.000 . 1 . . . . . 3 A C2 . 26934 1 39 . 1 1 3 3 A C2' C 13 75.604 0.167 . 1 . . . . . 3 A C2' . 26934 1 40 . 1 1 3 3 A C3' C 13 72.504 0.180 . 1 . . . . . 3 A C3' . 26934 1 41 . 1 1 3 3 A C4' C 13 81.938 0.269 . 1 . . . . . 3 A C4' . 26934 1 42 . 1 1 3 3 A C5' C 13 64.693 0.014 . 1 . . . . . 3 A C5' . 26934 1 43 . 1 1 3 3 A C8 C 13 141.438 0.000 . 1 . . . . . 3 A C8 . 26934 1 44 . 1 1 3 3 A N1 N 15 222.298 0.000 . 1 . . . . . 3 A N1 . 26934 1 45 . 1 1 4 4 C H1' H 1 5.357 0.003 . 1 . . . . . 4 C H1' . 26934 1 46 . 1 1 4 4 C H2' H 1 4.478 0.000 . 1 . . . . . 4 C H2' . 26934 1 47 . 1 1 4 4 C H3' H 1 4.422 0.000 . 1 . . . . . 4 C H3' . 26934 1 48 . 1 1 4 4 C H4' H 1 4.420 0.003 . 1 . . . . . 4 C H4' . 26934 1 49 . 1 1 4 4 C H5 H 1 5.250 0.000 . 1 . . . . . 4 C H5 . 26934 1 50 . 1 1 4 4 C H5' H 1 4.509 0.000 . 2 . . . . . 4 C H5' . 26934 1 51 . 1 1 4 4 C H5'' H 1 4.075 0.000 . 2 . . . . . 4 C H5'' . 26934 1 52 . 1 1 4 4 C H6 H 1 7.436 0.000 . 1 . . . . . 4 C H6 . 26934 1 53 . 1 1 4 4 C H41 H 1 8.315 0.000 . 1 . . . . . 4 C H41 . 26934 1 54 . 1 1 4 4 C H42 H 1 7.031 0.000 . 1 . . . . . 4 C H42 . 26934 1 55 . 1 1 4 4 C C1' C 13 93.495 0.189 . 1 . . . . . 4 C C1' . 26934 1 56 . 1 1 4 4 C C2' C 13 75.520 0.000 . 1 . . . . . 4 C C2' . 26934 1 57 . 1 1 4 4 C C4' C 13 81.790 0.261 . 1 . . . . . 4 C C4' . 26934 1 58 . 1 1 4 4 C C5 C 13 97.406 0.000 . 1 . . . . . 4 C C5 . 26934 1 59 . 1 1 4 4 C C5' C 13 64.718 0.019 . 1 . . . . . 4 C C5' . 26934 1 60 . 1 1 4 4 C C6 C 13 140.199 0.000 . 1 . . . . . 4 C C6 . 26934 1 61 . 1 1 4 4 C N3 N 15 196.689 0.000 . 1 . . . . . 4 C N3 . 26934 1 62 . 1 1 4 4 C N4 N 15 97.508 0.002 . 1 . . . . . 4 C N4 . 26934 1 63 . 1 1 5 5 A H1' H 1 5.937 0.003 . 1 . . . . . 5 A H1' . 26934 1 64 . 1 1 5 5 A H2 H 1 7.387 0.008 . 1 . . . . . 5 A H2 . 26934 1 65 . 1 1 5 5 A H2' H 1 4.686 0.003 . 1 . . . . . 5 A H2' . 26934 1 66 . 1 1 5 5 A H3' H 1 4.506 0.004 . 1 . . . . . 5 A H3' . 26934 1 67 . 1 1 5 5 A H4' H 1 4.501 0.000 . 1 . . . . . 5 A H4' . 26934 1 68 . 1 1 5 5 A H5' H 1 4.620 0.066 . 2 . . . . . 5 A H5' . 26934 1 69 . 1 1 5 5 A H5'' H 1 4.127 0.003 . 2 . . . . . 5 A H5'' . 26934 1 70 . 1 1 5 5 A H8 H 1 7.924 0.000 . 1 . . . . . 5 A H8 . 26934 1 71 . 1 1 5 5 A H61 H 1 7.856 0.000 . 1 . . . . . 5 A H61 . 26934 1 72 . 1 1 5 5 A H62 H 1 6.460 0.000 . 1 . . . . . 5 A H62 . 26934 1 73 . 1 1 5 5 A C1' C 13 93.205 0.171 . 1 . . . . . 5 A C1' . 26934 1 74 . 1 1 5 5 A C2 C 13 153.225 0.000 . 1 . . . . . 5 A C2 . 26934 1 75 . 1 1 5 5 A C2' C 13 75.421 0.160 . 1 . . . . . 5 A C2' . 26934 1 76 . 1 1 5 5 A C3' C 13 72.602 0.182 . 1 . . . . . 5 A C3' . 26934 1 77 . 1 1 5 5 A C4' C 13 81.978 0.277 . 1 . . . . . 5 A C4' . 26934 1 78 . 1 1 5 5 A C5' C 13 65.090 0.013 . 1 . . . . . 5 A C5' . 26934 1 79 . 1 1 5 5 A C8 C 13 139.299 0.000 . 1 . . . . . 5 A C8 . 26934 1 80 . 1 1 5 5 A N1 N 15 221.168 0.000 . 1 . . . . . 5 A N1 . 26934 1 81 . 1 1 5 5 A N6 N 15 84.598 0.002 . 1 . . . . . 5 A N6 . 26934 1 82 . 1 1 6 6 U H1' H 1 5.279 0.003 . 1 . . . . . 6 U H1' . 26934 1 83 . 1 1 6 6 U H2' H 1 4.015 0.003 . 1 . . . . . 6 U H2' . 26934 1 84 . 1 1 6 6 U H3 H 1 11.809 0.000 . 1 . . . . . 6 U H3 . 26934 1 85 . 1 1 6 6 U H3' H 1 4.475 0.004 . 1 . . . . . 6 U H3' . 26934 1 86 . 1 1 6 6 U H4' H 1 4.393 0.010 . 1 . . . . . 6 U H4' . 26934 1 87 . 1 1 6 6 U H5 H 1 5.383 0.000 . 1 . . . . . 6 U H5 . 26934 1 88 . 1 1 6 6 U H5' H 1 4.375 0.141 . 2 . . . . . 6 U H5' . 26934 1 89 . 1 1 6 6 U H5'' H 1 4.048 0.023 . 2 . . . . . 6 U H5'' . 26934 1 90 . 1 1 6 6 U H6 H 1 7.607 0.000 . 1 . . . . . 6 U H6 . 26934 1 91 . 1 1 6 6 U C1' C 13 93.389 0.146 . 1 . . . . . 6 U C1' . 26934 1 92 . 1 1 6 6 U C2' C 13 75.618 0.103 . 1 . . . . . 6 U C2' . 26934 1 93 . 1 1 6 6 U C3' C 13 72.034 0.122 . 1 . . . . . 6 U C3' . 26934 1 94 . 1 1 6 6 U C4' C 13 82.087 0.284 . 1 . . . . . 6 U C4' . 26934 1 95 . 1 1 6 6 U C5 C 13 103.883 0.000 . 1 . . . . . 6 U C5 . 26934 1 96 . 1 1 6 6 U C5' C 13 63.994 0.002 . 1 . . . . . 6 U C5' . 26934 1 97 . 1 1 6 6 U N3 N 15 158.320 0.000 . 1 . . . . . 6 U N3 . 26934 1 98 . 1 1 7 7 C H1' H 1 5.535 0.002 . 1 . . . . . 7 C H1' . 26934 1 99 . 1 1 7 7 C H2' H 1 4.447 0.003 . 1 . . . . . 7 C H2' . 26934 1 100 . 1 1 7 7 C H3' H 1 4.585 0.004 . 1 . . . . . 7 C H3' . 26934 1 101 . 1 1 7 7 C H4' H 1 4.354 0.003 . 1 . . . . . 7 C H4' . 26934 1 102 . 1 1 7 7 C H5 H 1 5.634 0.000 . 1 . . . . . 7 C H5 . 26934 1 103 . 1 1 7 7 C H5'' H 1 4.085 0.001 . 2 . . . . . 7 C H5'' . 26934 1 104 . 1 1 7 7 C H6 H 1 7.897 0.000 . 1 . . . . . 7 C H6 . 26934 1 105 . 1 1 7 7 C H41 H 1 8.372 0.000 . 1 . . . . . 7 C H41 . 26934 1 106 . 1 1 7 7 C H42 H 1 6.807 0.000 . 1 . . . . . 7 C H42 . 26934 1 107 . 1 1 7 7 C C1' C 13 93.497 0.095 . 1 . . . . . 7 C C1' . 26934 1 108 . 1 1 7 7 C C3' C 13 72.377 0.123 . 1 . . . . . 7 C C3' . 26934 1 109 . 1 1 7 7 C C4' C 13 81.644 0.109 . 1 . . . . . 7 C C4' . 26934 1 110 . 1 1 7 7 C C5' C 13 64.540 0.041 . 1 . . . . . 7 C C5' . 26934 1 111 . 1 1 7 7 C C6 C 13 142.439 0.000 . 1 . . . . . 7 C C6 . 26934 1 112 . 1 1 7 7 C N3 N 15 195.843 0.000 . 1 . . . . . 7 C N3 . 26934 1 113 . 1 1 7 7 C N4 N 15 98.132 0.004 . 1 . . . . . 7 C N4 . 26934 1 114 . 1 1 8 8 A H1' H 1 5.839 0.006 . 1 . . . . . 8 A H1' . 26934 1 115 . 1 1 8 8 A H2 H 1 7.029 0.006 . 1 . . . . . 8 A H2 . 26934 1 116 . 1 1 8 8 A H2' H 1 4.509 0.123 . 1 . . . . . 8 A H2' . 26934 1 117 . 1 1 8 8 A H3' H 1 4.642 0.018 . 1 . . . . . 8 A H3' . 26934 1 118 . 1 1 8 8 A H4' H 1 4.482 0.005 . 1 . . . . . 8 A H4' . 26934 1 119 . 1 1 8 8 A H5' H 1 4.405 0.181 . 2 . . . . . 8 A H5' . 26934 1 120 . 1 1 8 8 A H5'' H 1 4.164 0.003 . 2 . . . . . 8 A H5'' . 26934 1 121 . 1 1 8 8 A H8 H 1 7.954 0.000 . 1 . . . . . 8 A H8 . 26934 1 122 . 1 1 8 8 A C1' C 13 92.793 0.125 . 1 . . . . . 8 A C1' . 26934 1 123 . 1 1 8 8 A C2 C 13 152.522 0.000 . 1 . . . . . 8 A C2 . 26934 1 124 . 1 1 8 8 A C3' C 13 75.676 0.126 . 1 . . . . . 8 A C3' . 26934 1 125 . 1 1 8 8 A C4' C 13 81.904 0.274 . 1 . . . . . 8 A C4' . 26934 1 126 . 1 1 8 8 A C5' C 13 65.583 0.044 . 1 . . . . . 8 A C5' . 26934 1 127 . 1 1 8 8 A C8 C 13 139.391 0.000 . 1 . . . . . 8 A C8 . 26934 1 128 . 1 1 8 8 A N1 N 15 219.407 0.000 . 1 . . . . . 8 A N1 . 26934 1 129 . 1 1 9 9 G H1 H 1 12.741 0.000 . 1 . . . . . 9 G H1 . 26934 1 130 . 1 1 9 9 G H1' H 1 5.509 0.003 . 1 . . . . . 9 G H1' . 26934 1 131 . 1 1 9 9 G H2' H 1 4.431 0.021 . 1 . . . . . 9 G H2' . 26934 1 132 . 1 1 9 9 G H3' H 1 4.421 0.007 . 1 . . . . . 9 G H3' . 26934 1 133 . 1 1 9 9 G H4' H 1 4.411 0.002 . 1 . . . . . 9 G H4' . 26934 1 134 . 1 1 9 9 G H5' H 1 4.431 0.001 . 2 . . . . . 9 G H5' . 26934 1 135 . 1 1 9 9 G H5'' H 1 4.048 0.004 . 2 . . . . . 9 G H5'' . 26934 1 136 . 1 1 9 9 G H8 H 1 7.086 0.000 . 1 . . . . . 9 G H8 . 26934 1 137 . 1 1 9 9 G C1' C 13 92.522 0.104 . 1 . . . . . 9 G C1' . 26934 1 138 . 1 1 9 9 G C2' C 13 73.009 0.123 . 1 . . . . . 9 G C2' . 26934 1 139 . 1 1 9 9 G C3' C 13 72.488 0.111 . 1 . . . . . 9 G C3' . 26934 1 140 . 1 1 9 9 G C4' C 13 82.341 0.000 . 1 . . . . . 9 G C4' . 26934 1 141 . 1 1 9 9 G C5' C 13 65.762 0.046 . 1 . . . . . 9 G C5' . 26934 1 142 . 1 1 9 9 G C8 C 13 135.765 0.000 . 1 . . . . . 9 G C8 . 26934 1 143 . 1 1 9 9 G N1 N 15 146.937 0.000 . 1 . . . . . 9 G N1 . 26934 1 144 . 1 1 10 10 A H1' H 1 5.831 0.007 . 1 . . . . . 10 A H1' . 26934 1 145 . 1 1 10 10 A H2 H 1 7.872 0.006 . 1 . . . . . 10 A H2 . 26934 1 146 . 1 1 10 10 A H2' H 1 4.431 0.005 . 1 . . . . . 10 A H2' . 26934 1 147 . 1 1 10 10 A H3' H 1 4.656 0.024 . 1 . . . . . 10 A H3' . 26934 1 148 . 1 1 10 10 A H4' H 1 4.423 0.023 . 1 . . . . . 10 A H4' . 26934 1 149 . 1 1 10 10 A H5' H 1 4.288 0.127 . 2 . . . . . 10 A H5' . 26934 1 150 . 1 1 10 10 A H5'' H 1 4.044 0.006 . 2 . . . . . 10 A H5'' . 26934 1 151 . 1 1 10 10 A H8 H 1 7.623 0.000 . 1 . . . . . 10 A H8 . 26934 1 152 . 1 1 10 10 A H61 H 1 6.956 0.000 . 1 . . . . . 10 A H61 . 26934 1 153 . 1 1 10 10 A C1' C 13 92.339 0.124 . 1 . . . . . 10 A C1' . 26934 1 154 . 1 1 10 10 A C2 C 13 154.414 0.000 . 1 . . . . . 10 A C2 . 26934 1 155 . 1 1 10 10 A C2' C 13 73.942 0.118 . 1 . . . . . 10 A C2' . 26934 1 156 . 1 1 10 10 A C3' C 13 72.985 0.132 . 1 . . . . . 10 A C3' . 26934 1 157 . 1 1 10 10 A C4' C 13 83.176 0.116 . 1 . . . . . 10 A C4' . 26934 1 158 . 1 1 10 10 A C5' C 13 65.681 0.015 . 1 . . . . . 10 A C5' . 26934 1 159 . 1 1 10 10 A C8 C 13 139.532 0.000 . 1 . . . . . 10 A C8 . 26934 1 160 . 1 1 10 10 A N6 N 15 82.816 0.000 . 1 . . . . . 10 A N6 . 26934 1 161 . 1 1 11 11 U H1' H 1 5.521 0.003 . 1 . . . . . 11 U H1' . 26934 1 162 . 1 1 11 11 U H2' H 1 4.165 0.003 . 1 . . . . . 11 U H2' . 26934 1 163 . 1 1 11 11 U H3' H 1 4.376 0.006 . 1 . . . . . 11 U H3' . 26934 1 164 . 1 1 11 11 U H4' H 1 4.285 0.003 . 1 . . . . . 11 U H4' . 26934 1 165 . 1 1 11 11 U H5 H 1 5.447 0.000 . 1 . . . . . 11 U H5 . 26934 1 166 . 1 1 11 11 U H5' H 1 4.061 0.103 . 2 . . . . . 11 U H5' . 26934 1 167 . 1 1 11 11 U H5'' H 1 3.977 0.004 . 2 . . . . . 11 U H5'' . 26934 1 168 . 1 1 11 11 U H6 H 1 7.508 0.000 . 1 . . . . . 11 U H6 . 26934 1 169 . 1 1 11 11 U C1' C 13 91.168 0.092 . 1 . . . . . 11 U C1' . 26934 1 170 . 1 1 11 11 U C2' C 13 75.608 0.049 . 1 . . . . . 11 U C2' . 26934 1 171 . 1 1 11 11 U C3' C 13 75.780 0.127 . 1 . . . . . 11 U C3' . 26934 1 172 . 1 1 11 11 U C4' C 13 84.381 0.135 . 1 . . . . . 11 U C4' . 26934 1 173 . 1 1 11 11 U C5 C 13 104.400 0.000 . 1 . . . . . 11 U C5 . 26934 1 174 . 1 1 11 11 U C5' C 13 66.340 0.101 . 1 . . . . . 11 U C5' . 26934 1 175 . 1 1 11 11 U C6 C 13 142.280 0.000 . 1 . . . . . 11 U C6 . 26934 1 176 . 1 1 12 12 U H1' H 1 5.828 0.003 . 1 . . . . . 12 U H1' . 26934 1 177 . 1 1 12 12 U H2' H 1 4.260 0.030 . 1 . . . . . 12 U H2' . 26934 1 178 . 1 1 12 12 U H3' H 1 4.556 0.003 . 1 . . . . . 12 U H3' . 26934 1 179 . 1 1 12 12 U H4' H 1 4.362 0.032 . 1 . . . . . 12 U H4' . 26934 1 180 . 1 1 12 12 U H5 H 1 5.672 0.000 . 1 . . . . . 12 U H5 . 26934 1 181 . 1 1 12 12 U H5' H 1 4.045 0.003 . 2 . . . . . 12 U H5' . 26934 1 182 . 1 1 12 12 U H5'' H 1 3.994 0.003 . 2 . . . . . 12 U H5'' . 26934 1 183 . 1 1 12 12 U H6 H 1 7.652 0.000 . 1 . . . . . 12 U H6 . 26934 1 184 . 1 1 12 12 U C1' C 13 90.092 0.150 . 1 . . . . . 12 U C1' . 26934 1 185 . 1 1 12 12 U C2' C 13 75.730 0.157 . 1 . . . . . 12 U C2' . 26934 1 186 . 1 1 12 12 U C3' C 13 77.587 0.161 . 1 . . . . . 12 U C3' . 26934 1 187 . 1 1 12 12 U C4' C 13 85.295 0.134 . 1 . . . . . 12 U C4' . 26934 1 188 . 1 1 12 12 U C5 C 13 105.208 0.000 . 1 . . . . . 12 U C5 . 26934 1 189 . 1 1 12 12 U C5' C 13 67.736 0.100 . 1 . . . . . 12 U C5' . 26934 1 190 . 1 1 12 12 U C6 C 13 143.542 0.000 . 1 . . . . . 12 U C6 . 26934 1 191 . 1 1 13 13 U H1' H 1 5.884 0.003 . 1 . . . . . 13 U H1' . 26934 1 192 . 1 1 13 13 U H2' H 1 4.449 0.003 . 1 . . . . . 13 U H2' . 26934 1 193 . 1 1 13 13 U H3' H 1 4.610 0.003 . 1 . . . . . 13 U H3' . 26934 1 194 . 1 1 13 13 U H4' H 1 4.416 0.003 . 1 . . . . . 13 U H4' . 26934 1 195 . 1 1 13 13 U H5 H 1 5.858 0.000 . 1 . . . . . 13 U H5 . 26934 1 196 . 1 1 13 13 U H5' H 1 4.185 0.008 . 2 . . . . . 13 U H5' . 26934 1 197 . 1 1 13 13 U H5'' H 1 4.094 0.003 . 2 . . . . . 13 U H5'' . 26934 1 198 . 1 1 13 13 U H6 H 1 7.749 0.000 . 1 . . . . . 13 U H6 . 26934 1 199 . 1 1 13 13 U C1' C 13 91.274 0.134 . 1 . . . . . 13 U C1' . 26934 1 200 . 1 1 13 13 U C2' C 13 75.247 0.086 . 1 . . . . . 13 U C2' . 26934 1 201 . 1 1 13 13 U C3' C 13 76.303 0.136 . 1 . . . . . 13 U C3' . 26934 1 202 . 1 1 13 13 U C4' C 13 84.767 0.140 . 1 . . . . . 13 U C4' . 26934 1 203 . 1 1 13 13 U C5 C 13 105.242 0.000 . 1 . . . . . 13 U C5 . 26934 1 204 . 1 1 13 13 U C5' C 13 67.778 0.085 . 1 . . . . . 13 U C5' . 26934 1 205 . 1 1 13 13 U C6 C 13 143.815 0.000 . 1 . . . . . 13 U C6 . 26934 1 206 . 1 1 14 14 C H1' H 1 6.056 0.003 . 1 . . . . . 14 C H1' . 26934 1 207 . 1 1 14 14 C H2' H 1 4.497 0.002 . 1 . . . . . 14 C H2' . 26934 1 208 . 1 1 14 14 C H3' H 1 4.705 0.004 . 1 . . . . . 14 C H3' . 26934 1 209 . 1 1 14 14 C H4' H 1 4.547 0.003 . 1 . . . . . 14 C H4' . 26934 1 210 . 1 1 14 14 C H5 H 1 6.106 0.000 . 1 . . . . . 14 C H5 . 26934 1 211 . 1 1 14 14 C H5' H 1 4.304 0.003 . 2 . . . . . 14 C H5' . 26934 1 212 . 1 1 14 14 C H5'' H 1 4.213 0.002 . 2 . . . . . 14 C H5'' . 26934 1 213 . 1 1 14 14 C H6 H 1 7.923 0.000 . 1 . . . . . 14 C H6 . 26934 1 214 . 1 1 14 14 C H41 H 1 7.555 0.000 . 1 . . . . . 14 C H41 . 26934 1 215 . 1 1 14 14 C H42 H 1 7.555 0.000 . 1 . . . . . 14 C H42 . 26934 1 216 . 1 1 14 14 C C1' C 13 91.519 0.135 . 1 . . . . . 14 C C1' . 26934 1 217 . 1 1 14 14 C C2' C 13 75.928 0.103 . 1 . . . . . 14 C C2' . 26934 1 218 . 1 1 14 14 C C3' C 13 76.915 0.154 . 1 . . . . . 14 C C3' . 26934 1 219 . 1 1 14 14 C C4' C 13 84.627 0.128 . 1 . . . . . 14 C C4' . 26934 1 220 . 1 1 14 14 C C5 C 13 99.031 0.000 . 1 . . . . . 14 C C5 . 26934 1 221 . 1 1 14 14 C C5' C 13 67.635 0.105 . 1 . . . . . 14 C C5' . 26934 1 222 . 1 1 14 14 C C6 C 13 143.872 0.000 . 1 . . . . . 14 C C6 . 26934 1 223 . 1 1 14 14 C N4 N 15 96.308 0.000 . 1 . . . . . 14 C N4 . 26934 1 224 . 1 1 15 15 C H1' H 1 5.572 0.006 . 1 . . . . . 15 C H1' . 26934 1 225 . 1 1 15 15 C H2' H 1 4.493 0.031 . 1 . . . . . 15 C H2' . 26934 1 226 . 1 1 15 15 C H3' H 1 4.432 0.000 . 1 . . . . . 15 C H3' . 26934 1 227 . 1 1 15 15 C H4' H 1 4.547 0.003 . 1 . . . . . 15 C H4' . 26934 1 228 . 1 1 15 15 C H5 H 1 6.059 0.000 . 1 . . . . . 15 C H5 . 26934 1 229 . 1 1 15 15 C H5' H 1 4.376 0.071 . 2 . . . . . 15 C H5' . 26934 1 230 . 1 1 15 15 C H5'' H 1 4.250 0.005 . 2 . . . . . 15 C H5'' . 26934 1 231 . 1 1 15 15 C H6 H 1 7.948 0.000 . 1 . . . . . 15 C H6 . 26934 1 232 . 1 1 15 15 C H41 H 1 8.376 0.000 . 1 . . . . . 15 C H41 . 26934 1 233 . 1 1 15 15 C H42 H 1 7.100 0.000 . 1 . . . . . 15 C H42 . 26934 1 234 . 1 1 15 15 C C1' C 13 94.810 0.084 . 1 . . . . . 15 C C1' . 26934 1 235 . 1 1 15 15 C C2' C 13 75.091 0.007 . 1 . . . . . 15 C C2' . 26934 1 236 . 1 1 15 15 C C3' C 13 73.584 0.027 . 1 . . . . . 15 C C3' . 26934 1 237 . 1 1 15 15 C C4' C 13 82.840 0.194 . 1 . . . . . 15 C C4' . 26934 1 238 . 1 1 15 15 C C5 C 13 98.543 0.000 . 1 . . . . . 15 C C5 . 26934 1 239 . 1 1 15 15 C C5' C 13 67.262 0.009 . 1 . . . . . 15 C C5' . 26934 1 240 . 1 1 15 15 C C6 C 13 142.484 0.000 . 1 . . . . . 15 C C6 . 26934 1 241 . 1 1 15 15 C N3 N 15 198.033 0.000 . 1 . . . . . 15 C N3 . 26934 1 242 . 1 1 15 15 C N4 N 15 96.404 0.003 . 1 . . . . . 15 C N4 . 26934 1 243 . 1 1 16 16 U H1' H 1 5.556 0.004 . 1 . . . . . 16 U H1' . 26934 1 244 . 1 1 16 16 U H2' H 1 4.655 0.003 . 1 . . . . . 16 U H2' . 26934 1 245 . 1 1 16 16 U H3 H 1 13.352 0.000 . 1 . . . . . 16 U H3 . 26934 1 246 . 1 1 16 16 U H3' H 1 4.656 0.000 . 1 . . . . . 16 U H3' . 26934 1 247 . 1 1 16 16 U H4' H 1 4.457 0.000 . 1 . . . . . 16 U H4' . 26934 1 248 . 1 1 16 16 U H5 H 1 5.524 0.000 . 1 . . . . . 16 U H5 . 26934 1 249 . 1 1 16 16 U H5' H 1 4.605 0.003 . 2 . . . . . 16 U H5' . 26934 1 250 . 1 1 16 16 U H5'' H 1 4.166 0.002 . 2 . . . . . 16 U H5'' . 26934 1 251 . 1 1 16 16 U H6 H 1 7.954 0.000 . 1 . . . . . 16 U H6 . 26934 1 252 . 1 1 16 16 U C1' C 13 93.613 0.124 . 1 . . . . . 16 U C1' . 26934 1 253 . 1 1 16 16 U C2' C 13 75.329 0.045 . 1 . . . . . 16 U C2' . 26934 1 254 . 1 1 16 16 U C4' C 13 82.089 0.266 . 1 . . . . . 16 U C4' . 26934 1 255 . 1 1 16 16 U C5 C 13 103.721 0.000 . 1 . . . . . 16 U C5 . 26934 1 256 . 1 1 16 16 U C5' C 13 64.643 0.038 . 1 . . . . . 16 U C5' . 26934 1 257 . 1 1 16 16 U C6 C 13 141.916 0.000 . 1 . . . . . 16 U C6 . 26934 1 258 . 1 1 16 16 U N3 N 15 161.955 0.000 . 1 . . . . . 16 U N3 . 26934 1 259 . 1 1 17 17 G H1 H 1 11.940 0.000 . 1 . . . . . 17 G H1 . 26934 1 260 . 1 1 17 17 G H1' H 1 5.843 0.004 . 1 . . . . . 17 G H1' . 26934 1 261 . 1 1 17 17 G H2' H 1 4.546 0.003 . 1 . . . . . 17 G H2' . 26934 1 262 . 1 1 17 17 G H3' H 1 4.620 0.004 . 1 . . . . . 17 G H3' . 26934 1 263 . 1 1 17 17 G H4' H 1 4.444 0.000 . 1 . . . . . 17 G H4' . 26934 1 264 . 1 1 17 17 G H5' H 1 4.340 0.170 . 2 . . . . . 17 G H5' . 26934 1 265 . 1 1 17 17 G H8 H 1 7.742 0.000 . 1 . . . . . 17 G H8 . 26934 1 266 . 1 1 17 17 G H21 H 1 7.439 0.000 . 1 . . . . . 17 G H21 . 26934 1 267 . 1 1 17 17 G C1' C 13 92.175 0.049 . 1 . . . . . 17 G C1' . 26934 1 268 . 1 1 17 17 G C2' C 13 76.026 0.103 . 1 . . . . . 17 G C2' . 26934 1 269 . 1 1 17 17 G C3' C 13 73.128 0.020 . 1 . . . . . 17 G C3' . 26934 1 270 . 1 1 17 17 G C8 C 13 136.386 0.000 . 1 . . . . . 17 G C8 . 26934 1 271 . 1 1 17 17 G N1 N 15 146.873 0.000 . 1 . . . . . 17 G N1 . 26934 1 272 . 1 1 17 17 G N2 N 15 73.494 0.000 . 1 . . . . . 17 G N2 . 26934 1 273 . 1 1 18 18 G H1 H 1 11.448 0.000 . 1 . . . . . 18 G H1 . 26934 1 274 . 1 1 18 18 G H1' H 1 5.676 0.003 . 1 . . . . . 18 G H1' . 26934 1 275 . 1 1 18 18 G H2' H 1 4.568 0.121 . 1 . . . . . 18 G H2' . 26934 1 276 . 1 1 18 18 G H3' H 1 4.248 0.004 . 1 . . . . . 18 G H3' . 26934 1 277 . 1 1 18 18 G H4' H 1 4.480 0.003 . 1 . . . . . 18 G H4' . 26934 1 278 . 1 1 18 18 G H5' H 1 4.403 0.063 . 2 . . . . . 18 G H5' . 26934 1 279 . 1 1 18 18 G H5'' H 1 4.059 0.004 . 2 . . . . . 18 G H5'' . 26934 1 280 . 1 1 18 18 G H8 H 1 7.124 0.000 . 1 . . . . . 18 G H8 . 26934 1 281 . 1 1 18 18 G H21 H 1 6.393 0.000 . 1 . . . . . 18 G H21 . 26934 1 282 . 1 1 18 18 G C1' C 13 93.407 0.144 . 1 . . . . . 18 G C1' . 26934 1 283 . 1 1 18 18 G C2' C 13 75.118 0.156 . 1 . . . . . 18 G C2' . 26934 1 284 . 1 1 18 18 G C3' C 13 73.145 0.145 . 1 . . . . . 18 G C3' . 26934 1 285 . 1 1 18 18 G C4' C 13 82.151 0.221 . 1 . . . . . 18 G C4' . 26934 1 286 . 1 1 18 18 G C5' C 13 66.264 0.010 . 1 . . . . . 18 G C5' . 26934 1 287 . 1 1 18 18 G C8 C 13 136.761 0.000 . 1 . . . . . 18 G C8 . 26934 1 288 . 1 1 18 18 G N1 N 15 144.549 0.000 . 1 . . . . . 18 G N1 . 26934 1 289 . 1 1 18 18 G N2 N 15 73.808 0.000 . 1 . . . . . 18 G N2 . 26934 1 290 . 1 1 19 19 U H1' H 1 5.494 0.004 . 1 . . . . . 19 U H1' . 26934 1 291 . 1 1 19 19 U H2' H 1 4.558 0.003 . 1 . . . . . 19 U H2' . 26934 1 292 . 1 1 19 19 U H3 H 1 13.679 0.000 . 1 . . . . . 19 U H3 . 26934 1 293 . 1 1 19 19 U H3' H 1 4.422 0.001 . 1 . . . . . 19 U H3' . 26934 1 294 . 1 1 19 19 U H4' H 1 4.561 0.000 . 1 . . . . . 19 U H4' . 26934 1 295 . 1 1 19 19 U H5 H 1 5.216 0.000 . 1 . . . . . 19 U H5 . 26934 1 296 . 1 1 19 19 U H5' H 1 4.469 0.075 . 2 . . . . . 19 U H5' . 26934 1 297 . 1 1 19 19 U H5'' H 1 4.085 0.001 . 2 . . . . . 19 U H5'' . 26934 1 298 . 1 1 19 19 U H6 H 1 7.618 0.000 . 1 . . . . . 19 U H6 . 26934 1 299 . 1 1 19 19 U C1' C 13 93.656 0.144 . 1 . . . . . 19 U C1' . 26934 1 300 . 1 1 19 19 U C2' C 13 71.924 0.137 . 1 . . . . . 19 U C2' . 26934 1 301 . 1 1 19 19 U C5 C 13 103.523 0.000 . 1 . . . . . 19 U C5 . 26934 1 302 . 1 1 19 19 U C5' C 13 64.042 0.019 . 1 . . . . . 19 U C5' . 26934 1 303 . 1 1 19 19 U N3 N 15 162.537 0.000 . 1 . . . . . 19 U N3 . 26934 1 304 . 1 1 20 20 G H1 H 1 12.499 0.000 . 1 . . . . . 20 G H1 . 26934 1 305 . 1 1 20 20 G H1' H 1 5.779 0.003 . 1 . . . . . 20 G H1' . 26934 1 306 . 1 1 20 20 G H2' H 1 4.496 0.003 . 1 . . . . . 20 G H2' . 26934 1 307 . 1 1 20 20 G H3' H 1 4.583 0.001 . 1 . . . . . 20 G H3' . 26934 1 308 . 1 1 20 20 G H4' H 1 4.502 0.005 . 1 . . . . . 20 G H4' . 26934 1 309 . 1 1 20 20 G H5' H 1 4.504 0.000 . 2 . . . . . 20 G H5' . 26934 1 310 . 1 1 20 20 G H5'' H 1 4.127 0.005 . 2 . . . . . 20 G H5'' . 26934 1 311 . 1 1 20 20 G H8 H 1 7.702 0.000 . 1 . . . . . 20 G H8 . 26934 1 312 . 1 1 20 20 G H21 H 1 8.114 0.000 . 1 . . . . . 20 G H21 . 26934 1 313 . 1 1 20 20 G H22 H 1 6.183 0.000 . 1 . . . . . 20 G H22 . 26934 1 314 . 1 1 20 20 G C1' C 13 92.923 0.095 . 1 . . . . . 20 G C1' . 26934 1 315 . 1 1 20 20 G C2' C 13 75.273 0.159 . 1 . . . . . 20 G C2' . 26934 1 316 . 1 1 20 20 G C4' C 13 82.035 0.197 . 1 . . . . . 20 G C4' . 26934 1 317 . 1 1 20 20 G C5' C 13 65.331 0.086 . 1 . . . . . 20 G C5' . 26934 1 318 . 1 1 20 20 G C8 C 13 136.271 0.000 . 1 . . . . . 20 G C8 . 26934 1 319 . 1 1 20 20 G N1 N 15 147.140 0.000 . 1 . . . . . 20 G N1 . 26934 1 320 . 1 1 20 20 G N2 N 15 75.342 0.002 . 1 . . . . . 20 G N2 . 26934 1 321 . 1 1 21 21 U H1' H 1 5.537 0.002 . 1 . . . . . 21 U H1' . 26934 1 322 . 1 1 21 21 U H2' H 1 4.481 0.007 . 1 . . . . . 21 U H2' . 26934 1 323 . 1 1 21 21 U H3 H 1 14.317 0.001 . 1 . . . . . 21 U H3 . 26934 1 324 . 1 1 21 21 U H4' H 1 4.291 0.000 . 1 . . . . . 21 U H4' . 26934 1 325 . 1 1 21 21 U H5 H 1 5.094 0.000 . 1 . . . . . 21 U H5 . 26934 1 326 . 1 1 21 21 U H5' H 1 4.478 0.000 . 2 . . . . . 21 U H5' . 26934 1 327 . 1 1 21 21 U H5'' H 1 4.080 0.001 . 2 . . . . . 21 U H5'' . 26934 1 328 . 1 1 21 21 U H6 H 1 7.823 0.000 . 1 . . . . . 21 U H6 . 26934 1 329 . 1 1 21 21 U C1' C 13 93.692 0.137 . 1 . . . . . 21 U C1' . 26934 1 330 . 1 1 21 21 U C2' C 13 75.310 0.026 . 1 . . . . . 21 U C2' . 26934 1 331 . 1 1 21 21 U C5 C 13 102.537 0.000 . 1 . . . . . 21 U C5 . 26934 1 332 . 1 1 21 21 U C5' C 13 64.482 0.045 . 1 . . . . . 21 U C5' . 26934 1 333 . 1 1 21 21 U C6 C 13 141.916 0.000 . 1 . . . . . 21 U C6 . 26934 1 334 . 1 1 21 21 U N3 N 15 162.757 0.000 . 1 . . . . . 21 U N3 . 26934 1 335 . 1 1 22 22 C H1' H 1 5.587 0.004 . 1 . . . . . 22 C H1' . 26934 1 336 . 1 1 22 22 C H2' H 1 4.233 0.001 . 1 . . . . . 22 C H2' . 26934 1 337 . 1 1 22 22 C H3' H 1 4.471 0.001 . 1 . . . . . 22 C H3' . 26934 1 338 . 1 1 22 22 C H4' H 1 4.413 0.006 . 1 . . . . . 22 C H4' . 26934 1 339 . 1 1 22 22 C H5 H 1 5.634 0.000 . 1 . . . . . 22 C H5 . 26934 1 340 . 1 1 22 22 C H5' H 1 4.526 0.000 . 2 . . . . . 22 C H5' . 26934 1 341 . 1 1 22 22 C H5'' H 1 4.072 0.004 . 2 . . . . . 22 C H5'' . 26934 1 342 . 1 1 22 22 C H6 H 1 7.894 0.000 . 1 . . . . . 22 C H6 . 26934 1 343 . 1 1 22 22 C H41 H 1 8.467 0.000 . 1 . . . . . 22 C H41 . 26934 1 344 . 1 1 22 22 C H42 H 1 7.025 0.000 . 1 . . . . . 22 C H42 . 26934 1 345 . 1 1 22 22 C C1' C 13 94.159 0.176 . 1 . . . . . 22 C C1' . 26934 1 346 . 1 1 22 22 C C2' C 13 75.698 0.086 . 1 . . . . . 22 C C2' . 26934 1 347 . 1 1 22 22 C C4' C 13 81.554 0.000 . 1 . . . . . 22 C C4' . 26934 1 348 . 1 1 22 22 C C5 C 13 97.531 0.000 . 1 . . . . . 22 C C5 . 26934 1 349 . 1 1 22 22 C C5' C 13 64.533 0.026 . 1 . . . . . 22 C C5' . 26934 1 350 . 1 1 22 22 C C6 C 13 141.939 0.000 . 1 . . . . . 22 C C6 . 26934 1 351 . 1 1 22 22 C N3 N 15 197.917 0.000 . 1 . . . . . 22 C N3 . 26934 1 352 . 1 1 22 22 C N4 N 15 99.078 0.003 . 1 . . . . . 22 C N4 . 26934 1 353 . 1 1 23 23 C H1' H 1 5.719 0.003 . 1 . . . . . 23 C H1' . 26934 1 354 . 1 1 23 23 C H2' H 1 4.064 0.193 . 1 . . . . . 23 C H2' . 26934 1 355 . 1 1 23 23 C H3' H 1 4.195 0.094 . 1 . . . . . 23 C H3' . 26934 1 356 . 1 1 23 23 C H4' H 1 4.151 0.005 . 1 . . . . . 23 C H4' . 26934 1 357 . 1 1 23 23 C H5 H 1 5.520 0.000 . 1 . . . . . 23 C H5 . 26934 1 358 . 1 1 23 23 C H5' H 1 4.333 0.225 . 2 . . . . . 23 C H5' . 26934 1 359 . 1 1 23 23 C H5'' H 1 4.012 0.013 . 2 . . . . . 23 C H5'' . 26934 1 360 . 1 1 23 23 C H6 H 1 7.661 0.000 . 1 . . . . . 23 C H6 . 26934 1 361 . 1 1 23 23 C H41 H 1 7.646 0.639 . 1 . . . . . 23 C H41 . 26934 1 362 . 1 1 23 23 C H42 H 1 7.646 0.639 . 1 . . . . . 23 C H42 . 26934 1 363 . 1 1 23 23 C C1' C 13 92.794 0.162 . 1 . . . . . 23 C C1' . 26934 1 364 . 1 1 23 23 C C2' C 13 77.513 0.032 . 1 . . . . . 23 C C2' . 26934 1 365 . 1 1 23 23 C C3' C 13 69.687 0.144 . 1 . . . . . 23 C C3' . 26934 1 366 . 1 1 23 23 C C4' C 13 83.394 0.176 . 1 . . . . . 23 C C4' . 26934 1 367 . 1 1 23 23 C C5 C 13 97.942 0.000 . 1 . . . . . 23 C C5 . 26934 1 368 . 1 1 23 23 C C5' C 13 65.073 0.047 . 1 . . . . . 23 C C5' . 26934 1 369 . 1 1 23 23 C C6 C 13 141.780 0.000 . 1 . . . . . 23 C C6 . 26934 1 370 . 1 1 23 23 C N4 N 15 98.570 0.004 . 1 . . . . . 23 C N4 . 26934 1 stop_ save_