data_51155 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51155 _Entry.Title ; Unmodified siRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-25 _Entry.Accession_date 2021-10-25 _Entry.Last_release_date 2021-10-26 _Entry.Original_release_date 2021-10-26 _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 . _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 Owen Becette . B. . 0000-0002-3796-4933 51155 2 Anh Tran . . . . 51155 3 Jace Jones . W. . . 51155 4 John Marino . P. . . 51155 5 Robert Brinson . G. . . 51155 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51155 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 97 51155 '15N chemical shifts' 15 51155 '1H chemical shifts' 238 51155 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 2 . . 2022-08-15 2021-10-25 update BMRB 'update entry citation' 51155 1 . . 2022-03-29 2021-10-25 original author 'original release' 51155 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51158 'Modified siRNA' 51155 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51155 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35263184 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Fingerprinting of Short Interfering RNA Therapeutics by Solution Nuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acid Ther.' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 4 _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 267 _Citation.Page_last 279 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Owen Becette . B. . . 51155 1 2 Anh Tran . . . . 51155 1 3 Jace Jones . W. . . 51155 1 4 John Marino . P. . . 51155 1 5 Robert Brinson . G. . . 51155 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR fingerprinting' 51155 1 'drug development' 51155 1 'oligonucleotide therapeutics' 51155 1 'quality attributes' 51155 1 'quality control' 51155 1 siRNA 51155 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51155 _Assembly.ID 1 _Assembly.Name 'Unmodified siRNA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Duplex formed by the antisense and sense strands of the unmodified siRNA.' _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 'Sense siRNA' 1 $entity_1 . . yes native no no . . . 51155 1 2 'Antisense siRNA' 2 $entity_2 . . yes native no no . . . 51155 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51155 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type 'polydeoxyribonucleotide/polyribonucleotide hybrid' _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCAUAGCACUGUUCGTT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Antisense strand of the unmodified siRNA' _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 17 _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_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 . 51155 1 2 . C . 51155 1 3 . A . 51155 1 4 . U . 51155 1 5 . A . 51155 1 6 . G . 51155 1 7 . C . 51155 1 8 . A . 51155 1 9 . C . 51155 1 10 . U . 51155 1 11 . G . 51155 1 12 . U . 51155 1 13 . U . 51155 1 14 . C . 51155 1 15 . G . 51155 1 16 . DT . 51155 1 17 . DT . 51155 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 51155 1 . C 2 2 51155 1 . A 3 3 51155 1 . U 4 4 51155 1 . A 5 5 51155 1 . G 6 6 51155 1 . C 7 7 51155 1 . A 8 8 51155 1 . C 9 9 51155 1 . U 10 10 51155 1 . G 11 11 51155 1 . U 12 12 51155 1 . U 13 13 51155 1 . C 14 14 51155 1 . G 15 15 51155 1 . DT 16 16 51155 1 . DT 17 17 51155 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51155 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type 'polydeoxyribonucleotide/polyribonucleotide hybrid' _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGAACAGUGCUAUGCTT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Sense strand of the unmodified siRNA' _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 18 C . 51155 2 2 19 G . 51155 2 3 20 A . 51155 2 4 21 A . 51155 2 5 22 C . 51155 2 6 23 A . 51155 2 7 24 G . 51155 2 8 25 U . 51155 2 9 26 G . 51155 2 10 27 C . 51155 2 11 28 U . 51155 2 12 29 A . 51155 2 13 30 U . 51155 2 14 31 G . 51155 2 15 32 C . 51155 2 16 33 DT . 51155 2 17 34 DT . 51155 2 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 . C 1 1 51155 2 . G 2 2 51155 2 . A 3 3 51155 2 . A 4 4 51155 2 . C 5 5 51155 2 . A 6 6 51155 2 . G 7 7 51155 2 . U 8 8 51155 2 . G 9 9 51155 2 . C 10 10 51155 2 . U 11 11 51155 2 . A 12 12 51155 2 . U 13 13 51155 2 . G 14 14 51155 2 . C 15 15 51155 2 . DT 16 16 51155 2 . DT 17 17 51155 2 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 51155 _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 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51155 1 2 2 $entity_2 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51155 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 51155 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 51155 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 51155 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51155 _Sample.ID 1 _Sample.Name 'Unmodified siRNA (H2O)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Sense siRNA' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 51155 1 2 'Antisense siRNA' 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 51155 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51155 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51155 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51155 1 6 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 51155 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51155 _Sample.ID 2 _Sample.Name 'Unmodified siRNA (D2O)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sense siRNA' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 51155 2 2 'Antisense siRNA' 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 51155 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51155 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51155 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51155 2 6 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 51155 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 51155 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Unmodified siRNA (283 K)' _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 pH 6.5 . pH 51155 1 temperature 283 . K 51155 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 51155 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'Unmodified siRNA (298 K)' _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 pH 6.5 . pH 51155 2 temperature 298 . K 51155 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51155 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51155 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51155 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51155 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51155 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51155 3 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 51155 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name cryo900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51155 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Exchangeable 1H assignments' 51155 1 2 '2D 1H-15N HMQC' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Imino region' 51155 1 3 '2D 1H-1H NOESY' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Non-exchangeable 1H assignments' 51155 1 4 '2D 1H-13C HMQC' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Base region' 51155 1 5 '2D 1H-13C HMQC' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Sugar region' 51155 1 6 '2D 1H-13C HMQC' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Methyl region' 51155 1 7 '2D 1H-13C HMQC' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Deoxy region' 51155 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 51155 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chemical_Shift_Reference _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 . . . . . 51155 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51155 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51155 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 51155 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 51155 1 2 '2D 1H-15N HMQC' . . . 51155 1 3 '2D 1H-1H NOESY' . . . 51155 1 4 '2D 1H-13C HMQC' . . . 51155 1 5 '2D 1H-13C HMQC' . . . 51155 1 6 '2D 1H-13C HMQC' . . . 51155 1 7 '2D 1H-13C HMQC' . . . 51155 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51155 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 13.2167 0.0000 . 1 . . . . . 1 G H1 . 51155 1 2 . 1 . 1 1 1 G H1' H 1 5.8061 0.0000 . 1 . . . . . 1 G H1' . 51155 1 3 . 1 . 1 1 1 G H2' H 1 4.4075 0.0000 . 1 . . . . . 1 G H2' . 51155 1 4 . 1 . 1 1 1 G H3' H 1 4.7751 0.0000 . 1 . . . . . 1 G H3' . 51155 1 5 . 1 . 1 1 1 G H4' H 1 4.5509 0.0000 . 1 . . . . . 1 G H4' . 51155 1 6 . 1 . 1 1 1 G H5' H 1 4.0895 0.0000 . 2 . . . . . 1 G H5' . 51155 1 7 . 1 . 1 1 1 G H5'' H 1 3.9295 0.0000 . 2 . . . . . 1 G H5'' . 51155 1 8 . 1 . 1 1 1 G H8 H 1 8.0873 0.0000 . 1 . . . . . 1 G H8 . 51155 1 9 . 1 . 1 1 1 G C1' C 13 93.0942 0.0000 . 1 . . . . . 1 G C1' . 51155 1 10 . 1 . 1 1 1 G C8 C 13 138.7336 0.0000 . 1 . . . . . 1 G C8 . 51155 1 11 . 1 . 1 1 1 G N1 N 15 148.5132 0.0000 . 1 . . . . . 1 G N1 . 51155 1 12 . 1 . 1 2 2 C H1' H 1 5.5965 0.0000 . 1 . . . . . 2 C H1' . 51155 1 13 . 1 . 1 2 2 C H2' H 1 4.6157 0.0000 . 1 . . . . . 2 C H2' . 51155 1 14 . 1 . 1 2 2 C H3' H 1 4.5910 0.0000 . 1 . . . . . 2 C H3' . 51155 1 15 . 1 . 1 2 2 C H4' H 1 4.4906 0.0000 . 1 . . . . . 2 C H4' . 51155 1 16 . 1 . 1 2 2 C H5 H 1 5.3062 0.0000 . 1 . . . . . 2 C H5 . 51155 1 17 . 1 . 1 2 2 C H5' H 1 4.1772 0.0000 . 2 . . . . . 2 C H5' . 51155 1 18 . 1 . 1 2 2 C H6 H 1 7.8309 0.0000 . 1 . . . . . 2 C H6 . 51155 1 19 . 1 . 1 2 2 C H41 H 1 8.5691 0.0000 . 2 . . . . . 2 C H41 . 51155 1 20 . 1 . 1 2 2 C C1' C 13 94.0008 0.0000 . 1 . . . . . 2 C C1' . 51155 1 21 . 1 . 1 2 2 C C5 C 13 97.2063 0.0000 . 1 . . . . . 2 C C5 . 51155 1 22 . 1 . 1 2 2 C C6 C 13 141.4672 0.0000 . 1 . . . . . 2 C C6 . 51155 1 23 . 1 . 1 3 3 A H1' H 1 5.9626 0.0000 . 1 . . . . . 3 A H1' . 51155 1 24 . 1 . 1 3 3 A H2 H 1 7.2727 0.0000 . 1 . . . . . 3 A H2 . 51155 1 25 . 1 . 1 3 3 A H2' H 1 4.4743 0.0000 . 1 . . . . . 3 A H2' . 51155 1 26 . 1 . 1 3 3 A H3' H 1 4.6628 0.0000 . 1 . . . . . 3 A H3' . 51155 1 27 . 1 . 1 3 3 A H4' H 1 4.5214 0.0000 . 1 . . . . . 3 A H4' . 51155 1 28 . 1 . 1 3 3 A H5' H 1 4.1681 0.0000 . 2 . . . . . 3 A H5' . 51155 1 29 . 1 . 1 3 3 A H8 H 1 8.0600 0.0000 . 1 . . . . . 3 A H8 . 51155 1 30 . 1 . 1 3 3 A C1' C 13 93.1313 0.0000 . 1 . . . . . 3 A C1' . 51155 1 31 . 1 . 1 3 3 A C2 C 13 152.9528 0.0000 . 1 . . . . . 3 A C2 . 51155 1 32 . 1 . 1 3 3 A C8 C 13 139.5777 0.0000 . 1 . . . . . 3 A C8 . 51155 1 33 . 1 . 1 4 4 U H1' H 1 5.4235 0.0000 . 1 . . . . . 4 U H1' . 51155 1 34 . 1 . 1 4 4 U H2' H 1 4.3772 0.0000 . 1 . . . . . 4 U H2' . 51155 1 35 . 1 . 1 4 4 U H3 H 1 13.2520 0.0000 . 1 . . . . . 4 U H3 . 51155 1 36 . 1 . 1 4 4 U H3' H 1 4.5278 0.0000 . 1 . . . . . 4 U H3' . 51155 1 37 . 1 . 1 4 4 U H5 H 1 5.0922 0.0000 . 1 . . . . . 4 U H5 . 51155 1 38 . 1 . 1 4 4 U H5' H 1 4.0901 0.0000 . 2 . . . . . 4 U H5' . 51155 1 39 . 1 . 1 4 4 U H6 H 1 7.6100 0.0000 . 1 . . . . . 4 U H6 . 51155 1 40 . 1 . 1 4 4 U C1' C 13 92.9997 0.0000 . 1 . . . . . 4 U C1' . 51155 1 41 . 1 . 1 4 4 U C5 C 13 102.9712 0.0000 . 1 . . . . . 4 U C5 . 51155 1 42 . 1 . 1 4 4 U C6 C 13 140.8672 0.0000 . 1 . . . . . 4 U C6 . 51155 1 43 . 1 . 1 4 4 U N3 N 15 161.5146 0.0000 . 1 . . . . . 4 U N3 . 51155 1 44 . 1 . 1 5 5 A H1' H 1 5.9376 0.0000 . 1 . . . . . 5 A H1' . 51155 1 45 . 1 . 1 5 5 A H2 H 1 6.6958 0.0000 . 1 . . . . . 5 A H2 . 51155 1 46 . 1 . 1 5 5 A H2' H 1 4.5921 0.0000 . 1 . . . . . 5 A H2' . 51155 1 47 . 1 . 1 5 5 A H3' H 1 4.6895 0.0000 . 1 . . . . . 5 A H3' . 51155 1 48 . 1 . 1 5 5 A H4' H 1 4.4986 0.0000 . 1 . . . . . 5 A H4' . 51155 1 49 . 1 . 1 5 5 A H5' H 1 4.1583 0.0000 . 2 . . . . . 5 A H5' . 51155 1 50 . 1 . 1 5 5 A H8 H 1 8.0268 0.0000 . 1 . . . . . 5 A H8 . 51155 1 51 . 1 . 1 5 5 A C1' C 13 92.3950 0.0000 . 1 . . . . . 5 A C1' . 51155 1 52 . 1 . 1 5 5 A C2 C 13 152.3943 0.0000 . 1 . . . . . 5 A C2 . 51155 1 53 . 1 . 1 5 5 A C8 C 13 139.3736 0.0000 . 1 . . . . . 5 A C8 . 51155 1 54 . 1 . 1 6 6 G H1 H 1 13.3352 0.0000 . 1 . . . . . 6 G H1 . 51155 1 55 . 1 . 1 6 6 G H1' H 1 5.5352 0.0000 . 1 . . . . . 6 G H1' . 51155 1 56 . 1 . 1 6 6 G H2' H 1 4.3457 0.0000 . 1 . . . . . 6 G H2' . 51155 1 57 . 1 . 1 6 6 G H3' H 1 4.4262 0.0000 . 1 . . . . . 6 G H3' . 51155 1 58 . 1 . 1 6 6 G H5' H 1 4.0785 0.0000 . 2 . . . . . 6 G H5' . 51155 1 59 . 1 . 1 6 6 G H8 H 1 7.2510 0.0000 . 1 . . . . . 6 G H8 . 51155 1 60 . 1 . 1 6 6 G C1' C 13 92.6579 0.0000 . 1 . . . . . 6 G C1' . 51155 1 61 . 1 . 1 6 6 G C8 C 13 135.7380 0.0000 . 1 . . . . . 6 G C8 . 51155 1 62 . 1 . 1 6 6 G N1 N 15 148.1043 0.0000 . 1 . . . . . 6 G N1 . 51155 1 63 . 1 . 1 7 7 C H1' H 1 5.4172 0.0000 . 1 . . . . . 7 C H1' . 51155 1 64 . 1 . 1 7 7 C H2' H 1 4.4462 0.0000 . 1 . . . . . 7 C H2' . 51155 1 65 . 1 . 1 7 7 C H3' H 1 4.4953 0.0000 . 1 . . . . . 7 C H3' . 51155 1 66 . 1 . 1 7 7 C H5 H 1 5.1545 0.0000 . 1 . . . . . 7 C H5 . 51155 1 67 . 1 . 1 7 7 C H6 H 1 7.5712 0.0000 . 1 . . . . . 7 C H6 . 51155 1 68 . 1 . 1 7 7 C H41 H 1 8.3867 0.0000 . 2 . . . . . 7 C H41 . 51155 1 69 . 1 . 1 7 7 C C1' C 13 93.7821 0.0000 . 1 . . . . . 7 C C1' . 51155 1 70 . 1 . 1 7 7 C C5 C 13 97.5087 0.0000 . 1 . . . . . 7 C C5 . 51155 1 71 . 1 . 1 7 7 C C6 C 13 140.4466 0.0000 . 1 . . . . . 7 C C6 . 51155 1 72 . 1 . 1 8 8 A H1' H 1 5.9206 0.0000 . 1 . . . . . 8 A H1' . 51155 1 73 . 1 . 1 8 8 A H2 H 1 7.3799 0.0000 . 1 . . . . . 8 A H2 . 51155 1 74 . 1 . 1 8 8 A H2' H 1 4.5713 0.0000 . 1 . . . . . 8 A H2' . 51155 1 75 . 1 . 1 8 8 A H3' H 1 4.6436 0.0000 . 1 . . . . . 8 A H3' . 51155 1 76 . 1 . 1 8 8 A H4' H 1 4.4873 0.0000 . 1 . . . . . 8 A H4' . 51155 1 77 . 1 . 1 8 8 A H5' H 1 4.1380 0.0000 . 2 . . . . . 8 A H5' . 51155 1 78 . 1 . 1 8 8 A H8 H 1 8.0171 0.0000 . 1 . . . . . 8 A H8 . 51155 1 79 . 1 . 1 8 8 A C1' C 13 93.0446 0.0000 . 1 . . . . . 8 A C1' . 51155 1 80 . 1 . 1 8 8 A C2 C 13 153.2015 0.0000 . 1 . . . . . 8 A C2 . 51155 1 81 . 1 . 1 8 8 A C8 C 13 139.3739 0.0000 . 1 . . . . . 8 A C8 . 51155 1 82 . 1 . 1 9 9 C H1' H 1 5.3844 0.0000 . 1 . . . . . 9 C H1' . 51155 1 83 . 1 . 1 9 9 C H2' H 1 4.2258 0.0000 . 1 . . . . . 9 C H2' . 51155 1 84 . 1 . 1 9 9 C H3' H 1 4.3670 0.0000 . 1 . . . . . 9 C H3' . 51155 1 85 . 1 . 1 9 9 C H4' H 1 4.4025 0.0000 . 1 . . . . . 9 C H4' . 51155 1 86 . 1 . 1 9 9 C H5 H 1 5.2020 0.0000 . 1 . . . . . 9 C H5 . 51155 1 87 . 1 . 1 9 9 C H5' H 1 4.0599 0.0000 . 2 . . . . . 9 C H5' . 51155 1 88 . 1 . 1 9 9 C H6 H 1 7.5209 0.0000 . 1 . . . . . 9 C H6 . 51155 1 89 . 1 . 1 9 9 C H41 H 1 8.2861 0.0000 . 2 . . . . . 9 C H41 . 51155 1 90 . 1 . 1 9 9 C C1' C 13 93.7815 0.0000 . 1 . . . . . 9 C C1' . 51155 1 91 . 1 . 1 9 9 C C5 C 13 97.2000 0.0000 . 1 . . . . . 9 C C5 . 51155 1 92 . 1 . 1 9 9 C C6 C 13 140.7783 0.0000 . 1 . . . . . 9 C C6 . 51155 1 93 . 1 . 1 10 10 U H1' H 1 5.5283 0.0000 . 1 . . . . . 10 U H1' . 51155 1 94 . 1 . 1 10 10 U H2' H 1 4.6663 0.0000 . 1 . . . . . 10 U H2' . 51155 1 95 . 1 . 1 10 10 U H3 H 1 13.4648 0.0000 . 1 . . . . . 10 U H3 . 51155 1 96 . 1 . 1 10 10 U H3' H 1 4.5869 0.0000 . 1 . . . . . 10 U H3' . 51155 1 97 . 1 . 1 10 10 U H4' H 1 4.4257 0.0000 . 1 . . . . . 10 U H4' . 51155 1 98 . 1 . 1 10 10 U H5 H 1 5.3445 0.0000 . 1 . . . . . 10 U H5 . 51155 1 99 . 1 . 1 10 10 U H5' H 1 4.0969 0.0000 . 2 . . . . . 10 U H5' . 51155 1 100 . 1 . 1 10 10 U H6 H 1 7.8142 0.0000 . 1 . . . . . 10 U H6 . 51155 1 101 . 1 . 1 10 10 U C1' C 13 93.5345 0.0000 . 1 . . . . . 10 U C1' . 51155 1 102 . 1 . 1 10 10 U C5 C 13 103.8385 0.0000 . 1 . . . . . 10 U C5 . 51155 1 103 . 1 . 1 10 10 U C6 C 13 141.7607 0.0000 . 1 . . . . . 10 U C6 . 51155 1 104 . 1 . 1 10 10 U N3 N 15 161.9110 0.0000 . 1 . . . . . 10 U N3 . 51155 1 105 . 1 . 1 11 11 G H1 H 1 12.5237 0.0000 . 1 . . . . . 11 G H1 . 51155 1 106 . 1 . 1 11 11 G H1' H 1 5.7586 0.0000 . 1 . . . . . 11 G H1' . 51155 1 107 . 1 . 1 11 11 G H2' H 1 4.4927 0.0000 . 1 . . . . . 11 G H2' . 51155 1 108 . 1 . 1 11 11 G H3' H 1 4.5547 0.0000 . 1 . . . . . 11 G H3' . 51155 1 109 . 1 . 1 11 11 G H8 H 1 7.7299 0.0000 . 1 . . . . . 11 G H8 . 51155 1 110 . 1 . 1 11 11 G C1' C 13 92.6433 0.0000 . 1 . . . . . 11 G C1' . 51155 1 111 . 1 . 1 11 11 G C8 C 13 136.6501 0.0000 . 1 . . . . . 11 G C8 . 51155 1 112 . 1 . 1 11 11 G N1 N 15 147.3919 0.0000 . 1 . . . . . 11 G N1 . 51155 1 113 . 1 . 1 12 12 U H1' H 1 93.7868 0.0000 . 1 . . . . . 12 U H1' . 51155 1 114 . 1 . 1 12 12 U H2' H 1 4.4263 0.0000 . 1 . . . . . 12 U H2' . 51155 1 115 . 1 . 1 12 12 U H3 H 1 14.2903 0.0000 . 1 . . . . . 12 U H3 . 51155 1 116 . 1 . 1 12 12 U H3' H 1 4.4846 0.0000 . 1 . . . . . 12 U H3' . 51155 1 117 . 1 . 1 12 12 U H4' H 1 4.4379 0.0000 . 1 . . . . . 12 U H4' . 51155 1 118 . 1 . 1 12 12 U H5 H 1 5.0623 0.0000 . 1 . . . . . 12 U H5 . 51155 1 119 . 1 . 1 12 12 U H5' H 1 4.0969 0.0000 . 2 . . . . . 12 U H5' . 51155 1 120 . 1 . 1 12 12 U H6 H 1 7.8137 0.0000 . 1 . . . . . 12 U H6 . 51155 1 121 . 1 . 1 12 12 U C5 C 13 102.7754 0.0000 . 1 . . . . . 12 U C5 . 51155 1 122 . 1 . 1 12 12 U C6 C 13 141.7607 0.0000 . 1 . . . . . 12 U C6 . 51155 1 123 . 1 . 1 12 12 U N3 N 15 162.4404 0.0000 . 1 . . . . . 12 U N3 . 51155 1 124 . 1 . 1 13 13 U H1' H 1 5.6335 0.0000 . 1 . . . . . 13 U H1' . 51155 1 125 . 1 . 1 13 13 U H2' H 1 4.4531 0.0000 . 1 . . . . . 13 U H2' . 51155 1 126 . 1 . 1 13 13 U H3 H 1 13.8499 0.0000 . 1 . . . . . 13 U H3 . 51155 1 127 . 1 . 1 13 13 U H3' H 1 4.5161 0.0000 . 1 . . . . . 13 U H3' . 51155 1 128 . 1 . 1 13 13 U H4' H 1 4.4265 0.0000 . 1 . . . . . 13 U H4' . 51155 1 129 . 1 . 1 13 13 U H5 H 1 5.5550 0.0000 . 1 . . . . . 13 U H5 . 51155 1 130 . 1 . 1 13 13 U H5' H 1 4.1014 0.0000 . 2 . . . . . 13 U H5' . 51155 1 131 . 1 . 1 13 13 U H6 H 1 7.9986 0.0000 . 1 . . . . . 13 U H6 . 51155 1 132 . 1 . 1 13 13 U C1' C 13 93.9282 0.0000 . 1 . . . . . 13 U C1' . 51155 1 133 . 1 . 1 13 13 U C5 C 13 103.3739 0.0000 . 1 . . . . . 13 U C5 . 51155 1 134 . 1 . 1 13 13 U C6 C 13 142.4394 0.0000 . 1 . . . . . 13 U C6 . 51155 1 135 . 1 . 1 13 13 U N3 N 15 162.7342 0.0000 . 1 . . . . . 13 U N3 . 51155 1 136 . 1 . 1 14 14 C H1' H 1 5.5132 0.0000 . 1 . . . . . 14 C H1' . 51155 1 137 . 1 . 1 14 14 C H2' H 1 4.3804 0.0000 . 1 . . . . . 14 C H2' . 51155 1 138 . 1 . 1 14 14 C H3' H 1 4.4554 0.0000 . 1 . . . . . 14 C H3' . 51155 1 139 . 1 . 1 14 14 C H4' H 1 4.4090 0.0000 . 1 . . . . . 14 C H4' . 51155 1 140 . 1 . 1 14 14 C H5 H 1 5.6328 0.0000 . 1 . . . . . 14 C H5 . 51155 1 141 . 1 . 1 14 14 C H5' H 1 4.0999 0.0000 . 2 . . . . . 14 C H5' . 51155 1 142 . 1 . 1 14 14 C H6 H 1 7.7730 0.0000 . 1 . . . . . 14 C H6 . 51155 1 143 . 1 . 1 14 14 C H41 H 1 8.2559 0.0000 . 2 . . . . . 14 C H41 . 51155 1 144 . 1 . 1 14 14 C C1' C 13 93.7868 0.0000 . 1 . . . . . 14 C C1' . 51155 1 145 . 1 . 1 14 14 C C5 C 13 98.1683 0.0000 . 1 . . . . . 14 C C5 . 51155 1 146 . 1 . 1 14 14 C C6 C 13 141.0788 0.0000 . 1 . . . . . 14 C C6 . 51155 1 147 . 1 . 1 15 15 G H1 H 1 12.7932 0.0000 . 1 . . . . . 15 G H1 . 51155 1 148 . 1 . 1 15 15 G H1' H 1 5.6472 0.0000 . 1 . . . . . 15 G H1' . 51155 1 149 . 1 . 1 15 15 G H2' H 1 4.2856 0.0000 . 1 . . . . . 15 G H2' . 51155 1 150 . 1 . 1 15 15 G H3' H 1 4.4747 0.0000 . 1 . . . . . 15 G H3' . 51155 1 151 . 1 . 1 15 15 G H4' H 1 4.3855 0.0000 . 1 . . . . . 15 G H4' . 51155 1 152 . 1 . 1 15 15 G H5' H 1 4.0379 0.0000 . 2 . . . . . 15 G H5' . 51155 1 153 . 1 . 1 15 15 G H8 H 1 7.5073 0.0000 . 1 . . . . . 15 G H8 . 51155 1 154 . 1 . 1 15 15 G C1' C 13 92.2773 0.0000 . 1 . . . . . 15 G C1' . 51155 1 155 . 1 . 1 15 15 G C8 C 13 136.6987 0.0000 . 1 . . . . . 15 G C8 . 51155 1 156 . 1 . 1 15 15 G N1 N 15 147.6584 0.0000 . 1 . . . . . 15 G N1 . 51155 1 157 . 1 . 1 16 16 DT H1' H 1 6.0557 0.0000 . 1 . . . . . 16 DT H1' . 51155 1 158 . 1 . 1 16 16 DT H2' H 1 2.1911 0.0000 . 2 . . . . . 16 DT H2' . 51155 1 159 . 1 . 1 16 16 DT H2'' H 1 2.4247 0.0000 . 2 . . . . . 16 DT H2'' . 51155 1 160 . 1 . 1 16 16 DT H3' H 1 4.6593 0.0000 . 1 . . . . . 16 DT H3' . 51155 1 161 . 1 . 1 16 16 DT H4' H 1 4.2119 0.0000 . 1 . . . . . 16 DT H4' . 51155 1 162 . 1 . 1 16 16 DT H5' H 1 3.9950 0.0000 . 2 . . . . . 16 DT H5' . 51155 1 163 . 1 . 1 16 16 DT H6 H 1 7.4620 0.0000 . 1 . . . . . 16 DT H6 . 51155 1 164 . 1 . 1 16 16 DT H71 H 1 1.4378 0.0000 . 1 . . . . . 16 DT H71 . 51155 1 165 . 1 . 1 16 16 DT C1' C 13 87.6935 0.0000 . 1 . . . . . 16 DT C1' . 51155 1 166 . 1 . 1 16 16 DT C2' C 13 41.3196 0.0000 . 1 . . . . . 16 DT C2' . 51155 1 167 . 1 . 1 16 16 DT C6 C 13 138.4496 0.0000 . 1 . . . . . 16 DT C6 . 51155 1 168 . 1 . 1 16 16 DT C7 C 13 13.9163 0.0000 . 1 . . . . . 16 DT C7 . 51155 1 169 . 1 . 1 17 17 DT H1' H 1 6.1806 0.0000 . 1 . . . . . 17 DT3 H1' . 51155 1 170 . 1 . 1 17 17 DT H2' H 1 2.1667 0.0000 . 2 . . . . . 17 DT3 H2' . 51155 1 171 . 1 . 1 17 17 DT H3' H 1 4.4493 0.0000 . 1 . . . . . 17 DT3 H3' . 51155 1 172 . 1 . 1 17 17 DT H4' H 1 4.0580 0.0000 . 1 . . . . . 17 DT3 H4' . 51155 1 173 . 1 . 1 17 17 DT H6 H 1 7.5733 0.0000 . 1 . . . . . 17 DT3 H6 . 51155 1 174 . 1 . 1 17 17 DT H71 H 1 1.7291 0.0000 . 1 . . . . . 17 DT3 H71 . 51155 1 175 . 1 . 1 17 17 DT C1' C 13 87.6169 0.0000 . 1 . . . . . 17 DT3 C1' . 51155 1 176 . 1 . 1 17 17 DT C2' C 13 41.4404 0.0000 . 1 . . . . . 17 DT3 C2' . 51155 1 177 . 1 . 1 17 17 DT C6 C 13 139.6522 0.0000 . 1 . . . . . 17 DT3 C6 . 51155 1 178 . 1 . 1 17 17 DT C7 C 13 14.2245 0.0000 . 1 . . . . . 17 DT3 C7 . 51155 1 179 . 2 . 2 1 1 C H1' H 1 5.6304 0.0000 . 1 . . . . . 18 C H1' . 51155 1 180 . 2 . 2 1 1 C H2' H 1 4.6134 0.0000 . 1 . . . . . 18 C H2' . 51155 1 181 . 2 . 2 1 1 C H3' H 1 4.5564 0.0000 . 1 . . . . . 18 C H3' . 51155 1 182 . 2 . 2 1 1 C H4' H 1 4.3625 0.0000 . 1 . . . . . 18 C H4' . 51155 1 183 . 2 . 2 1 1 C H5 H 1 5.9920 0.0000 . 1 . . . . . 18 C H5 . 51155 1 184 . 2 . 2 1 1 C H5' H 1 4.0583 0.0000 . 2 . . . . . 18 C H5' . 51155 1 185 . 2 . 2 1 1 C H5'' H 1 3.9312 0.0000 . 2 . . . . . 18 C H5'' . 51155 1 186 . 2 . 2 1 1 C H6 H 1 8.0480 0.0000 . 1 . . . . . 18 C H6 . 51155 1 187 . 2 . 2 1 1 C C1' C 13 93.9282 0.0000 . 1 . . . . . 18 C C1' . 51155 1 188 . 2 . 2 1 1 C C5 C 13 98.9379 0.0000 . 1 . . . . . 18 C C5 . 51155 1 189 . 2 . 2 1 1 C C6 C 13 142.7467 0.0000 . 1 . . . . . 18 C C6 . 51155 1 190 . 2 . 2 2 2 G H1 H 1 12.1406 0.0000 . 1 . . . . . 19 G H1 . 51155 1 191 . 2 . 2 2 2 G H1' H 1 5.7676 0.0000 . 1 . . . . . 19 G H1' . 51155 1 192 . 2 . 2 2 2 G H2' H 1 4.6714 0.0000 . 1 . . . . . 19 G H2' . 51155 1 193 . 2 . 2 2 2 G H3' H 1 4.7212 0.0000 . 1 . . . . . 19 G H3' . 51155 1 194 . 2 . 2 2 2 G H5' H 1 4.1904 0.0000 . 2 . . . . . 19 G H5' . 51155 1 195 . 2 . 2 2 2 G H8 H 1 7.7618 0.0000 . 1 . . . . . 19 G H8 . 51155 1 196 . 2 . 2 2 2 G C1' C 13 92.6343 0.0000 . 1 . . . . . 19 G C1' . 51155 1 197 . 2 . 2 2 2 G C8 C 13 136.7965 0.0000 . 1 . . . . . 19 G C8 . 51155 1 198 . 2 . 2 2 2 G N1 N 15 146.2957 0.0000 . 1 . . . . . 19 G N1 . 51155 1 199 . 2 . 2 3 3 A H1' H 1 5.8769 0.0000 . 1 . . . . . 20 A H1' . 51155 1 200 . 2 . 2 3 3 A H2 H 1 7.1270 0.0000 . 1 . . . . . 20 A H2 . 51155 1 201 . 2 . 2 3 3 A H2' H 1 4.5533 0.0000 . 1 . . . . . 20 A H2' . 51155 1 202 . 2 . 2 3 3 A H3' H 1 4.6745 0.0000 . 1 . . . . . 20 A H3' . 51155 1 203 . 2 . 2 3 3 A H4' H 1 4.5257 0.0000 . 1 . . . . . 20 A H4' . 51155 1 204 . 2 . 2 3 3 A H5' H 1 4.1880 0.0000 . 2 . . . . . 20 A H5' . 51155 1 205 . 2 . 2 3 3 A H8 H 1 7.7829 0.0000 . 1 . . . . . 20 A H8 . 51155 1 206 . 2 . 2 3 3 A C1' C 13 92.8716 0.0000 . 1 . . . . . 20 A C1' . 51155 1 207 . 2 . 2 3 3 A C2 C 13 152.9747 0.0000 . 1 . . . . . 20 A C2 . 51155 1 208 . 2 . 2 3 3 A C8 C 13 139.3854 0.0000 . 1 . . . . . 20 A C8 . 51155 1 209 . 2 . 2 4 4 A H1' H 1 5.8671 0.0000 . 1 . . . . . 21 A H1' . 51155 1 210 . 2 . 2 4 4 A H2 H 1 7.6604 0.0000 . 1 . . . . . 21 A H2 . 51155 1 211 . 2 . 2 4 4 A H2' H 1 4.4376 0.0000 . 1 . . . . . 21 A H2' . 51155 1 212 . 2 . 2 4 4 A H3' H 1 4.5724 0.0000 . 1 . . . . . 21 A H3' . 51155 1 213 . 2 . 2 4 4 A H4' H 1 4.4745 0.0000 . 1 . . . . . 21 A H4' . 51155 1 214 . 2 . 2 4 4 A H8 H 1 7.7762 0.0000 . 1 . . . . . 21 A H8 . 51155 1 215 . 2 . 2 4 4 A C1' C 13 92.6435 0.0000 . 1 . . . . . 21 A C1' . 51155 1 216 . 2 . 2 4 4 A C2 C 13 153.6809 0.0000 . 1 . . . . . 21 A C2 . 51155 1 217 . 2 . 2 4 4 A C8 C 13 138.8388 0.0000 . 1 . . . . . 21 A C8 . 51155 1 218 . 2 . 2 5 5 C H1' H 1 5.2902 0.0000 . 1 . . . . . 22 C H1' . 51155 1 219 . 2 . 2 5 5 C H2' H 1 4.3528 0.0000 . 1 . . . . . 22 C H2' . 51155 1 220 . 2 . 2 5 5 C H3' H 1 4.3896 0.0000 . 1 . . . . . 22 C H3' . 51155 1 221 . 2 . 2 5 5 C H4' H 1 4.3847 0.0000 . 1 . . . . . 22 C H4' . 51155 1 222 . 2 . 2 5 5 C H5 H 1 5.1686 0.0000 . 1 . . . . . 22 C H5 . 51155 1 223 . 2 . 2 5 5 C H5' H 1 4.0440 0.0000 . 2 . . . . . 22 C H5' . 51155 1 224 . 2 . 2 5 5 C H6 H 1 7.3518 0.0000 . 1 . . . . . 22 C H6 . 51155 1 225 . 2 . 2 5 5 C H41 H 1 8.1712 0.0000 . 2 . . . . . 22 C H41 . 51155 1 226 . 2 . 2 5 5 C C1' C 13 93.5199 0.0000 . 1 . . . . . 22 C C1' . 51155 1 227 . 2 . 2 5 5 C C5 C 13 97.5087 0.0000 . 1 . . . . . 22 C C5 . 51155 1 228 . 2 . 2 5 5 C C6 C 13 140.0894 0.0000 . 1 . . . . . 22 C C6 . 51155 1 229 . 2 . 2 6 6 A H1' H 1 5.9053 0.0000 . 1 . . . . . 23 A H1' . 51155 1 230 . 2 . 2 6 6 A H2 H 1 7.0170 0.0000 . 1 . . . . . 23 A H2 . 51155 1 231 . 2 . 2 6 6 A H2' H 1 4.6937 0.0000 . 1 . . . . . 23 A H2' . 51155 1 232 . 2 . 2 6 6 A H3' H 1 4.6572 0.0000 . 1 . . . . . 23 A H3' . 51155 1 233 . 2 . 2 6 6 A H4' H 1 4.4786 0.0000 . 1 . . . . . 23 A H4' . 51155 1 234 . 2 . 2 6 6 A H5' H 1 4.1233 0.0000 . 2 . . . . . 23 A H5' . 51155 1 235 . 2 . 2 6 6 A H8 H 1 7.9138 0.0000 . 1 . . . . . 23 A H8 . 51155 1 236 . 2 . 2 6 6 A C1' C 13 92.8487 0.0000 . 1 . . . . . 23 A C1' . 51155 1 237 . 2 . 2 6 6 A C2 C 13 152.4280 0.0000 . 1 . . . . . 23 A C2 . 51155 1 238 . 2 . 2 6 6 A C8 C 13 139.3805 0.0000 . 1 . . . . . 23 A C8 . 51155 1 239 . 2 . 2 7 7 G H1 H 1 13.3890 0.0000 . 1 . . . . . 24 G H1 . 51155 1 240 . 2 . 2 7 7 G H1' H 1 5.5517 0.0000 . 1 . . . . . 24 G H1' . 51155 1 241 . 2 . 2 7 7 G H2' H 1 4.3667 0.0000 . 1 . . . . . 24 G H2' . 51155 1 242 . 2 . 2 7 7 G H3' H 1 4.3920 0.0000 . 1 . . . . . 24 G H3' . 51155 1 243 . 2 . 2 7 7 G H4' H 1 4.4554 0.0000 . 1 . . . . . 24 G H4' . 51155 1 244 . 2 . 2 7 7 G H5' H 1 4.0587 0.0000 . 2 . . . . . 24 G H5' . 51155 1 245 . 2 . 2 7 7 G H8 H 1 7.1618 0.0000 . 1 . . . . . 24 G H8 . 51155 1 246 . 2 . 2 7 7 G C1' C 13 92.8555 0.0000 . 1 . . . . . 24 G C1' . 51155 1 247 . 2 . 2 7 7 G C8 C 13 135.8960 0.0000 . 1 . . . . . 24 G C8 . 51155 1 248 . 2 . 2 7 7 G N1 N 15 148.0324 0.0000 . 1 . . . . . 24 G N1 . 51155 1 249 . 2 . 2 8 8 U H1' H 1 5.5250 0.0000 . 1 . . . . . 25 U H1' . 51155 1 250 . 2 . 2 8 8 U H2' H 1 4.6067 0.0000 . 1 . . . . . 25 U H2' . 51155 1 251 . 2 . 2 8 8 U H3 H 1 13.7102 0.0000 . 1 . . . . . 25 U H3 . 51155 1 252 . 2 . 2 8 8 U H3' H 1 4.5395 0.0000 . 1 . . . . . 25 U H3' . 51155 1 253 . 2 . 2 8 8 U H5 H 1 5.0206 0.0000 . 1 . . . . . 25 U H5 . 51155 1 254 . 2 . 2 8 8 U H6 H 1 7.6746 0.0000 . 1 . . . . . 25 U H6 . 51155 1 255 . 2 . 2 8 8 U C1' C 13 93.5345 0.0000 . 1 . . . . . 25 U C1' . 51155 1 256 . 2 . 2 8 8 U C5 C 13 103.3536 0.0000 . 1 . . . . . 25 U C5 . 51155 1 257 . 2 . 2 8 8 U C6 C 13 140.9226 0.0000 . 1 . . . . . 25 U C6 . 51155 1 258 . 2 . 2 8 8 U N3 N 15 162.1977 0.0000 . 1 . . . . . 25 U N3 . 51155 1 259 . 2 . 2 9 9 G H1 H 1 12.5304 0.0000 . 1 . . . . . 26 G H1 . 51155 1 260 . 2 . 2 9 9 G H1' H 1 5.7782 0.0000 . 1 . . . . . 26 G H1' . 51155 1 261 . 2 . 2 9 9 G H2' H 1 4.5273 0.0000 . 1 . . . . . 26 G H2' . 51155 1 262 . 2 . 2 9 9 G H5' H 1 4.1461 0.0000 . 2 . . . . . 26 G H5' . 51155 1 263 . 2 . 2 9 9 G H8 H 1 7.6828 0.0000 . 1 . . . . . 26 G H8 . 51155 1 264 . 2 . 2 9 9 G C1' C 13 92.6343 0.0000 . 1 . . . . . 26 G C1' . 51155 1 265 . 2 . 2 9 9 G C8 C 13 136.1010 0.0000 . 1 . . . . . 26 G C8 . 51155 1 266 . 2 . 2 9 9 G N1 N 15 147.6233 0.0000 . 1 . . . . . 26 G N1 . 51155 1 267 . 2 . 2 10 10 C H1' H 1 5.4520 0.0000 . 1 . . . . . 27 C H1' . 51155 1 268 . 2 . 2 10 10 C H2' H 1 4.3638 0.0000 . 1 . . . . . 27 C H2' . 51155 1 269 . 2 . 2 10 10 C H3' H 1 4.4280 0.0000 . 1 . . . . . 27 C H3' . 51155 1 270 . 2 . 2 10 10 C H4' H 1 4.4274 0.0000 . 1 . . . . . 27 C H4' . 51155 1 271 . 2 . 2 10 10 C H5 H 1 5.2104 0.0000 . 1 . . . . . 27 C H5 . 51155 1 272 . 2 . 2 10 10 C H5' H 1 4.0940 0.0000 . 2 . . . . . 27 C H5' . 51155 1 273 . 2 . 2 10 10 C H6 H 1 7.6877 0.0000 . 1 . . . . . 27 C H6 . 51155 1 274 . 2 . 2 10 10 C H41 H 1 8.5150 0.0000 . 2 . . . . . 27 C H41 . 51155 1 275 . 2 . 2 10 10 C C1' C 13 93.9544 0.0000 . 1 . . . . . 27 C C1' . 51155 1 276 . 2 . 2 10 10 C C5 C 13 97.2000 0.0000 . 1 . . . . . 27 C C5 . 51155 1 277 . 2 . 2 10 10 C C6 C 13 141.0294 0.0000 . 1 . . . . . 27 C C6 . 51155 1 278 . 2 . 2 11 11 U H1' H 1 5.4777 0.0000 . 1 . . . . . 28 U H1' . 51155 1 279 . 2 . 2 11 11 U H2' H 1 4.5496 0.0000 . 1 . . . . . 28 U H2' . 51155 1 280 . 2 . 2 11 11 U H3 H 1 13.3394 0.0000 . 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51155 1 294 . 2 . 2 12 12 A H5' H 1 4.1663 0.0000 . 2 . . . . . 29 A H5' . 51155 1 295 . 2 . 2 12 12 A H8 H 1 8.1963 0.0000 . 1 . . . . . 29 A H8 . 51155 1 296 . 2 . 2 12 12 A C1' C 13 92.9137 0.0000 . 1 . . . . . 29 A C1' . 51155 1 297 . 2 . 2 12 12 A C2 C 13 153.1049 0.0000 . 1 . . . . . 29 A C2 . 51155 1 298 . 2 . 2 12 12 A C8 C 13 139.8682 0.0000 . 1 . . . . . 29 A C8 . 51155 1 299 . 2 . 2 13 13 U H1' H 1 5.4236 0.0000 . 1 . . . . . 30 U H1' . 51155 1 300 . 2 . 2 13 13 U H2' H 1 4.3842 0.0000 . 1 . . . . . 30 U H2' . 51155 1 301 . 2 . 2 13 13 U H3 H 1 13.3659 0.0000 . 1 . . . . . 30 U H3 . 51155 1 302 . 2 . 2 13 13 U H3' H 1 4.5081 0.0000 . 1 . . . . . 30 U H3' . 51155 1 303 . 2 . 2 13 13 U H4' H 1 4.4093 0.0000 . 1 . . . . . 30 U H4' . 51155 1 304 . 2 . 2 13 13 U H5 H 1 5.0343 0.0000 . 1 . . . . . 30 U H5 . 51155 1 305 . 2 . 2 13 13 U H5' H 1 4.0901 0.0000 . 2 . . . . . 30 U H5' . 51155 1 306 . 2 . 2 13 13 U H6 H 1 7.6327 0.0000 . 1 . . . . . 30 U H6 . 51155 1 307 . 2 . 2 13 13 U C1' C 13 92.9992 0.0000 . 1 . . . . . 30 U C1' . 51155 1 308 . 2 . 2 13 13 U C5 C 13 103.2036 0.0000 . 1 . . . . . 30 U C5 . 51155 1 309 . 2 . 2 13 13 U C6 C 13 140.8179 0.0000 . 1 . . . . . 30 U C6 . 51155 1 310 . 2 . 2 13 13 U N3 N 15 161.7030 0.0000 . 1 . . . . . 30 U N3 . 51155 1 311 . 2 . 2 14 14 G H1 H 1 12.6647 0.0000 . 1 . . . . . 31 G H1 . 51155 1 312 . 2 . 2 14 14 G H1' H 1 5.7539 0.0000 . 1 . . . . . 31 G H1' . 51155 1 313 . 2 . 2 14 14 G H2' H 1 4.4342 0.0000 . 1 . . . . . 31 G H2' . 51155 1 314 . 2 . 2 14 14 G H3' H 1 4.5140 0.0000 . 1 . . . . . 31 G H3' . 51155 1 315 . 2 . 2 14 14 G H8 H 1 7.6287 0.0000 . 1 . . . . . 31 G H8 . 51155 1 316 . 2 . 2 14 14 G C1' C 13 92.6524 0.0000 . 1 . . . . . 31 G C1' . 51155 1 317 . 2 . 2 14 14 G C8 C 13 136.0904 0.0000 . 1 . . . . . 31 G C8 . 51155 1 318 . 2 . 2 14 14 G N1 N 15 147.5407 0.0000 . 1 . . . . . 31 G N1 . 51155 1 319 . 2 . 2 15 15 C H1' H 1 5.4761 0.0000 . 1 . . . . . 32 C H1' . 51155 1 320 . 2 . 2 15 15 C H2' H 1 4.2766 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