data_30665 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30665 _Entry.Title ; NMR assignment and RNA structure of 5' UTR region stem loop from West Nile Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-01 _Entry.Accession_date 2019-09-01 _Entry.Last_release_date 2019-09-06 _Entry.Original_release_date 2019-09-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30665 stop_ 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 S. Sharma S. . . . 30665 2 G. Varani G. . . . 30665 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Chemical shift' . 30665 RNA . 30665 Virus . 30665 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30665 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 30665 '15N chemical shifts' 13 30665 '1H chemical shifts' 277 30665 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 . . 2020-08-18 . original BMRB . 30665 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6U79 . 30665 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30665 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32807496 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR structure of Dengue West Nile viruses stem-loop B: A key cis-acting element for flavivirus replication ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Sharma S. . . . 30665 1 2 G. Varani G. . . . 30665 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30665 _Assembly.ID 1 _Assembly.Name "5' UTR region stem loop" _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 entity_1 1 $entity_1 A A yes . . . . . . 30665 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30665 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGUUUCUUAGCACGAAGAUC UCGAUGUCUAAGAAACC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11841.064 _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 . 30665 1 2 . G . 30665 1 3 . U . 30665 1 4 . U . 30665 1 5 . U . 30665 1 6 . C . 30665 1 7 . U . 30665 1 8 . U . 30665 1 9 . A . 30665 1 10 . G . 30665 1 11 . C . 30665 1 12 . A . 30665 1 13 . C . 30665 1 14 . G . 30665 1 15 . A . 30665 1 16 . A . 30665 1 17 . G . 30665 1 18 . A . 30665 1 19 . U . 30665 1 20 . C . 30665 1 21 . U . 30665 1 22 . C . 30665 1 23 . G . 30665 1 24 . A . 30665 1 25 . U . 30665 1 26 . G . 30665 1 27 . U . 30665 1 28 . C . 30665 1 29 . U . 30665 1 30 . A . 30665 1 31 . A . 30665 1 32 . G . 30665 1 33 . A . 30665 1 34 . A . 30665 1 35 . A . 30665 1 36 . C . 30665 1 37 . C . 30665 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 30665 1 . G 2 2 30665 1 . U 3 3 30665 1 . U 4 4 30665 1 . U 5 5 30665 1 . C 6 6 30665 1 . U 7 7 30665 1 . U 8 8 30665 1 . A 9 9 30665 1 . G 10 10 30665 1 . C 11 11 30665 1 . A 12 12 30665 1 . C 13 13 30665 1 . G 14 14 30665 1 . A 15 15 30665 1 . A 16 16 30665 1 . G 17 17 30665 1 . A 18 18 30665 1 . U 19 19 30665 1 . C 20 20 30665 1 . U 21 21 30665 1 . C 22 22 30665 1 . G 23 23 30665 1 . A 24 24 30665 1 . U 25 25 30665 1 . G 26 26 30665 1 . U 27 27 30665 1 . C 28 28 30665 1 . U 29 29 30665 1 . A 30 30 30665 1 . A 31 31 30665 1 . G 32 32 30665 1 . A 33 33 30665 1 . A 34 34 30665 1 . A 35 35 30665 1 . C 36 36 30665 1 . C 37 37 30665 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 30665 _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 . 11082 organism . 'West Nile virus' 'West Nile virus' . . Viruses . Flavivirus 'West Nile virus' . . . . . . . . . . . . . 30665 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 30665 _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' . . . . . . . . . . . . . . . . 30665 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30665 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-99% 15N] WNV, 90% H2O/10% D2O' _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 30665 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30665 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30665 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 20 . mM 30665 1 pH 6.0 . pH 30665 1 pressure 1 . atm 30665 1 temperature 298 . K 30665 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30665 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30665 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30665 1 . 'structure calculation' 30665 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30665 _Software.ID 2 _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 . . 30665 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30665 2 . 'peak picking' 30665 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30665 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30665 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30665 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE II' . 600 . . . 30665 1 2 NMR_spectrometer_2 Bruker 'AVANCE II' . 800 . . . 30665 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 30665 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30665 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30665 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30665 1 4 '1H proton' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30665 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30665 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 30665 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30665 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30665 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 30665 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30665 1 2 '2D NOESY' . . . 30665 1 3 '2D 1H-1H TOCSY' . . . 30665 1 4 '1H proton' . . . 30665 1 5 '2D 1H-13C HSQC' . . . 30665 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.777 0.05 . 1 . . . . A 1 G H1' . 30665 1 2 . 1 . 1 1 1 G H2' H 1 4.916 0.05 . 1 . . . . A 1 G H2' . 30665 1 3 . 1 . 1 1 1 G H3' H 1 3.988 0.05 . 1 . . . . A 1 G H3' . 30665 1 4 . 1 . 1 1 1 G H4' H 1 4.104 0.05 . 1 . . . . A 1 G H4' . 30665 1 5 . 1 . 1 1 1 G H5' H 1 3.639 0.05 . 1 . . . . A 1 G H5' . 30665 1 6 . 1 . 1 1 1 G H5'' H 1 3.560 0.05 . 1 . . . . A 1 G H5'' . 30665 1 7 . 1 . 1 1 1 G H8 H 1 8.085 0.05 . 1 . . . . A 1 G H8 . 30665 1 8 . 1 . 1 1 1 G C1' C 13 90.549 0.3 . 1 . . . . A 1 G C1' . 30665 1 9 . 1 . 1 1 1 G C2' C 13 74.875 0.3 . 1 . . . . A 1 G C2' . 30665 1 10 . 1 . 1 1 1 G C3' C 13 69.281 0.3 . 1 . . . . A 1 G C3' . 30665 1 11 . 1 . 1 1 1 G C4' C 13 77.569 0.3 . 1 . . . . A 1 G C4' . 30665 1 12 . 1 . 1 1 1 G C5' C 13 64.572 0.3 . 1 . . . . A 1 G C5' . 30665 1 13 . 1 . 1 1 1 G C8 C 13 141.937 0.3 . 1 . . . . A 1 G C8 . 30665 1 14 . 1 . 1 2 2 G H1 H 1 13.228 0.05 . 1 . . . . A 2 G H1 . 30665 1 15 . 1 . 1 2 2 G H1' H 1 5.871 0.05 . 1 . . . . A 2 G H1' . 30665 1 16 . 1 . 1 2 2 G H2' H 1 4.532 0.05 . 1 . . . . A 2 G H2' . 30665 1 17 . 1 . 1 2 2 G H3' H 1 3.967 0.05 . 1 . . . . A 2 G H3' . 30665 1 18 . 1 . 1 2 2 G H4' H 1 4.086 0.05 . 1 . . . . A 2 G H4' . 30665 1 19 . 1 . 1 2 2 G H5' H 1 4.020 0.05 . 1 . . . . A 2 G H5' . 30665 1 20 . 1 . 1 2 2 G H5'' H 1 3.932 0.05 . 1 . . . . A 2 G H5'' . 30665 1 21 . 1 . 1 2 2 G H8 H 1 7.529 0.05 . 1 . . . . A 2 G H8 . 30665 1 22 . 1 . 1 2 2 G C1' C 13 91.755 0.3 . 1 . . . . A 2 G C1' . 30665 1 23 . 1 . 1 2 2 G C2' C 13 74.786 0.3 . 1 . . . . A 2 G C2' . 30665 1 24 . 1 . 1 2 2 G C3' C 13 69.367 0.3 . 1 . . . . A 2 G C3' . 30665 1 25 . 1 . 1 2 2 G C4' C 13 79.330 0.3 . 1 . . . . A 2 G C4' . 30665 1 26 . 1 . 1 2 2 G C5' C 13 63.925 0.3 . 1 . . . . A 2 G C5' . 30665 1 27 . 1 . 1 2 2 G C8 C 13 141.874 0.3 . 1 . . . . A 2 G C8 . 30665 1 28 . 1 . 1 2 2 G N1 N 15 148.114 0.12 . 1 . . . . A 2 G N1 . 30665 1 29 . 1 . 1 3 3 U H1' H 1 5.708 0.05 . 1 . . . . A 3 U H1' . 30665 1 30 . 1 . 1 3 3 U H2' H 1 3.939 0.05 . 1 . . . . A 3 U H2' . 30665 1 31 . 1 . 1 3 3 U H3 H 1 14.161 0.05 . 1 . . . . A 3 U H3 . 30665 1 32 . 1 . 1 3 3 U H3' H 1 3.953 0.05 . 1 . . . . A 3 U H3' . 30665 1 33 . 1 . 1 3 3 U H4' H 1 4.068 0.05 . 1 . . . . A 3 U H4' . 30665 1 34 . 1 . 1 3 3 U H5 H 1 5.822 0.05 . 1 . . . . A 3 U H5 . 30665 1 35 . 1 . 1 3 3 U H5' H 1 3.931 0.05 . 1 . . . . A 3 U H5' . 30665 1 36 . 1 . 1 3 3 U H5'' H 1 3.502 0.05 . 1 . . . . A 3 U H5'' . 30665 1 37 . 1 . 1 3 3 U H6 H 1 7.79 0.05 . 1 . . . . A 3 U H6 . 30665 1 38 . 1 . 1 3 3 U C1' C 13 91.692 0.3 . 1 . . . . A 3 U C1' . 30665 1 39 . 1 . 1 3 3 U C2' C 13 72.968 0.3 . 1 . . . . A 3 U C2' . 30665 1 40 . 1 . 1 3 3 U C3' C 13 69.373 0.3 . 1 . . . . A 3 U C3' . 30665 1 41 . 1 . 1 3 3 U C4' C 13 79.298 0.3 . 1 . . . . A 3 U C4' . 30665 1 42 . 1 . 1 3 3 U C5 C 13 100.050 0.3 . 1 . . . . A 3 U C5 . 30665 1 43 . 1 . 1 3 3 U C5' C 13 63.815 0.3 . 1 . . . . A 3 U C5' . 30665 1 44 . 1 . 1 3 3 U C6 C 13 140.189 0.3 . 1 . . . . A 3 U C6 . 30665 1 45 . 1 . 1 3 3 U N3 N 15 162.214 0.12 . 1 . . . . A 3 U N3 . 30665 1 46 . 1 . 1 4 4 U H1' H 1 5.168 0.05 . 1 . . . . A 4 U H1' . 30665 1 47 . 1 . 1 4 4 U H2' H 1 4.341 0.05 . 1 . . . . A 4 U H2' . 30665 1 48 . 1 . 1 4 4 U H3 H 1 13.652 0.05 . 1 . . . . A 4 U H3 . 30665 1 49 . 1 . 1 4 4 U H3' H 1 3.943 0.05 . 1 . . . . A 4 U H3' . 30665 1 50 . 1 . 1 4 4 U H4' H 1 4.058 0.05 . 1 . . . . A 4 U H4' . 30665 1 51 . 1 . 1 4 4 U H5 H 1 5.385 0.05 . 1 . . . . A 4 U H5 . 30665 1 52 . 1 . 1 4 4 U H5' H 1 3.826 0.05 . 1 . . . . A 4 U H5' . 30665 1 53 . 1 . 1 4 4 U H5'' H 1 3.450 0.05 . 1 . . . . A 4 U H5'' . 30665 1 54 . 1 . 1 4 4 U H6 H 1 7.364 0.05 . 1 . . . . A 4 U H6 . 30665 1 55 . 1 . 1 4 4 U C1' C 13 92.108 0.3 . 1 . . . . A 4 U C1' . 30665 1 56 . 1 . 1 4 4 U C2' C 13 72.438 0.3 . 1 . . . . A 4 U C2' . 30665 1 57 . 1 . 1 4 4 U C3' C 13 69.373 0.3 . 1 . . . . A 4 U C3' . 30665 1 58 . 1 . 1 4 4 U C4' C 13 79.319 0.3 . 1 . . . . A 4 U C4' . 30665 1 59 . 1 . 1 4 4 U C5 C 13 99.529 0.3 . 1 . . . . A 4 U C5 . 30665 1 60 . 1 . 1 4 4 U C5' C 13 65.064 0.3 . 1 . . . . A 4 U C5' . 30665 1 61 . 1 . 1 4 4 U C6 C 13 139.237 0.3 . 1 . . . . A 4 U C6 . 30665 1 62 . 1 . 1 4 4 U N3 N 15 161.870 0.12 . 1 . . . . A 4 U N3 . 30665 1 63 . 1 . 1 5 5 U H1' H 1 5.524 0.05 . 1 . . . . A 5 U H1' . 30665 1 64 . 1 . 1 5 5 U H2' H 1 4.449 0.05 . 1 . . . . A 5 U H2' . 30665 1 65 . 1 . 1 5 5 U H3 H 1 13.501 0.05 . 1 . . . . A 5 U H3 . 30665 1 66 . 1 . 1 5 5 U H3' H 1 3.920 0.05 . 1 . . . . A 5 U H3' . 30665 1 67 . 1 . 1 5 5 U H4' H 1 4.062 0.05 . 1 . . . . A 5 U H4' . 30665 1 68 . 1 . 1 5 5 U H5 H 1 5.426 0.05 . 1 . . . . A 5 U H5 . 30665 1 69 . 1 . 1 5 5 U H5' H 1 3.433 0.05 . 1 . . . . A 5 U H5' . 30665 1 70 . 1 . 1 5 5 U H5'' H 1 3.303 0.05 . 1 . . . . A 5 U H5'' . 30665 1 71 . 1 . 1 5 5 U H6 H 1 7.490 0.05 . 1 . . . . A 5 U H6 . 30665 1 72 . 1 . 1 5 5 U C1' C 13 90.696 0.3 . 1 . . . . A 5 U C1' . 30665 1 73 . 1 . 1 5 5 U C2' C 13 71.795 0.3 . 1 . . . . A 5 U C2' . 30665 1 74 . 1 . 1 5 5 U C3' C 13 70.041 0.3 . 1 . . . . A 5 U C3' . 30665 1 75 . 1 . 1 5 5 U C4' C 13 79.261 0.3 . 1 . . . . A 5 U C4' . 30665 1 76 . 1 . 1 5 5 U C5 C 13 101.393 0.3 . 1 . . . . A 5 U C5 . 30665 1 77 . 1 . 1 5 5 U C5' C 13 62.075 0.3 . 1 . . . . A 5 U C5' . 30665 1 78 . 1 . 1 5 5 U C6 C 13 138.285 0.3 . 1 . . . . A 5 U C6 . 30665 1 79 . 1 . 1 5 5 U N3 N 15 162.605 0.12 . 1 . . . . A 5 U N3 . 30665 1 80 . 1 . 1 6 6 C H1' H 1 5.478 0.05 . 1 . . . . A 6 C H1' . 30665 1 81 . 1 . 1 6 6 C H2' H 1 4.451 0.05 . 1 . . . . A 6 C H2' . 30665 1 82 . 1 . 1 6 6 C H3' H 1 3.936 0.05 . 1 . . . . A 6 C H3' . 30665 1 83 . 1 . 1 6 6 C H4' H 1 4.105 0.05 . 1 . . . . A 6 C H4' . 30665 1 84 . 1 . 1 6 6 C H5 H 1 5.236 0.05 . 1 . . . . A 6 C H5 . 30665 1 85 . 1 . 1 6 6 C H5' H 1 4.070 0.05 . 1 . . . . A 6 C H5' . 30665 1 86 . 1 . 1 6 6 C H5'' H 1 3.513 0.05 . 1 . . . . A 6 C H5'' . 30665 1 87 . 1 . 1 6 6 C H6 H 1 7.791 0.05 . 1 . . . . A 6 C H6 . 30665 1 88 . 1 . 1 6 6 C H41 H 1 8.081 0.05 . 1 . . . . A 6 C H41 . 30665 1 89 . 1 . 1 6 6 C H42 H 1 6.729 0.05 . 1 . . . . A 6 C H42 . 30665 1 90 . 1 . 1 6 6 C C1' C 13 90.257 0.3 . 1 . . . . A 6 C C1' . 30665 1 91 . 1 . 1 6 6 C C2' C 13 73.473 0.3 . 1 . . . . A 6 C C2' . 30665 1 92 . 1 . 1 6 6 C C3' C 13 70.113 0.3 . 1 . . . . A 6 C C3' . 30665 1 93 . 1 . 1 6 6 C C4' C 13 80.390 0.3 . 1 . . . . A 6 C C4' . 30665 1 94 . 1 . 1 6 6 C C5 C 13 94.487 0.3 . 1 . . . . A 6 C C5 . 30665 1 95 . 1 . 1 6 6 C C5' C 13 62.474 0.3 . 1 . . . . A 6 C C5' . 30665 1 96 . 1 . 1 6 6 C C6 C 13 137.973 0.3 . 1 . . . . A 6 C C6 . 30665 1 97 . 1 . 1 7 7 U H1' H 1 5.741 0.05 . 1 . . . . A 7 U H1' . 30665 1 98 . 1 . 1 7 7 U H2' H 1 4.499 0.05 . 1 . . . . A 7 U H2' . 30665 1 99 . 1 . 1 7 7 U H3 H 1 13.665 0.05 . 1 . . . . A 7 U H3 . 30665 1 100 . 1 . 1 7 7 U H3' H 1 3.925 0.05 . 1 . . . . A 7 U H3' . 30665 1 101 . 1 . 1 7 7 U H4' H 1 4.040 0.05 . 1 . . . . A 7 U H4' . 30665 1 102 . 1 . 1 7 7 U H5 H 1 5.818 0.05 . 1 . . . . A 7 U H5 . 30665 1 103 . 1 . 1 7 7 U H5' H 1 3.839 0.05 . 1 . . . . A 7 U H5' . 30665 1 104 . 1 . 1 7 7 U H5'' H 1 3.415 0.05 . 1 . . . . A 7 U H5'' . 30665 1 105 . 1 . 1 7 7 U H6 H 1 7.791 0.05 . 1 . . . . A 7 U H6 . 30665 1 106 . 1 . 1 7 7 U C1' C 13 89.847 0.3 . 1 . . . . A 7 U C1' . 30665 1 107 . 1 . 1 7 7 U C2' C 13 73.311 0.3 . 1 . . . . A 7 U C2' . 30665 1 108 . 1 . 1 7 7 U C3' C 13 70.408 0.3 . 1 . . . . A 7 U C3' . 30665 1 109 . 1 . 1 7 7 U C4' C 13 80.319 0.3 . 1 . . . . A 7 U C4' . 30665 1 110 . 1 . 1 7 7 U C5 C 13 100.420 0.3 . 1 . . . . A 7 U C5 . 30665 1 111 . 1 . 1 7 7 U C5' C 13 62.277 0.3 . 1 . . . . A 7 U C5' . 30665 1 112 . 1 . 1 7 7 U C6 C 13 139.752 0.3 . 1 . . . . A 7 U C6 . 30665 1 113 . 1 . 1 7 7 U N3 N 15 162.537 0.12 . 1 . . . . A 7 U N3 . 30665 1 114 . 1 . 1 8 8 U H1' H 1 5.590 0.05 . 1 . . . . A 8 U H1' . 30665 1 115 . 1 . 1 8 8 U H2' H 1 4.431 0.05 . 1 . . . . A 8 U H2' . 30665 1 116 . 1 . 1 8 8 U H3 H 1 12.733 0.05 . 1 . . . . A 8 U H3 . 30665 1 117 . 1 . 1 8 8 U H3' H 1 3.931 0.05 . 1 . . . . A 8 U H3' . 30665 1 118 . 1 . 1 8 8 U H4' H 1 4.027 0.05 . 1 . . . . A 8 U H4' . 30665 1 119 . 1 . 1 8 8 U H5 H 1 5.368 0.05 . 1 . . . . A 8 U H5 . 30665 1 120 . 1 . 1 8 8 U H5' H 1 3.804 0.05 . 1 . . . . A 8 U H5' . 30665 1 121 . 1 . 1 8 8 U H5'' H 1 3.642 0.05 . 1 . . . . A 8 U H5'' . 30665 1 122 . 1 . 1 8 8 U H6 H 1 7.907 0.05 . 1 . . . . A 8 U H6 . 30665 1 123 . 1 . 1 8 8 U C1' C 13 89.565 0.3 . 1 . . . . A 8 U C1' . 30665 1 124 . 1 . 1 8 8 U C2' C 13 71.937 0.3 . 1 . . . . A 8 U C2' . 30665 1 125 . 1 . 1 8 8 U C3' C 13 70.260 0.3 . 1 . . . . A 8 U C3' . 30665 1 126 . 1 . 1 8 8 U C4' C 13 80.048 0.3 . 1 . . . . A 8 U C4' . 30665 1 127 . 1 . 1 8 8 U C5 C 13 100.693 0.3 . 1 . . . . A 8 U C5 . 30665 1 128 . 1 . 1 8 8 U C5' C 13 61.316 0.3 . 1 . . . . A 8 U C5' . 30665 1 129 . 1 . 1 8 8 U C6 C 13 140.095 0.3 . 1 . . . . A 8 U C6 . 30665 1 130 . 1 . 1 8 8 U N3 N 15 162.619 0.12 . 1 . . . . A 8 U N3 . 30665 1 131 . 1 . 1 9 9 A H1' H 1 5.558 0.05 . 1 . . . . A 9 A H1' . 30665 1 132 . 1 . 1 9 9 A H2 H 1 6.474 0.05 . 1 . . . . A 9 A H2 . 30665 1 133 . 1 . 1 9 9 A H2' H 1 4.397 0.05 . 1 . . . . A 9 A H2' . 30665 1 134 . 1 . 1 9 9 A H3' H 1 3.911 0.05 . 1 . . . . A 9 A H3' . 30665 1 135 . 1 . 1 9 9 A H4' H 1 4.008 0.05 . 1 . . . . A 9 A H4' . 30665 1 136 . 1 . 1 9 9 A H5' H 1 3.647 0.05 . 1 . . . . A 9 A H5' . 30665 1 137 . 1 . 1 9 9 A H5'' H 1 3.646 0.05 . 1 . . . . A 9 A H5'' . 30665 1 138 . 1 . 1 9 9 A H8 H 1 7.894 0.05 . 1 . . . . A 9 A H8 . 30665 1 139 . 1 . 1 9 9 A C1' C 13 89.927 0.3 . 1 . . . . A 9 A C1' . 30665 1 140 . 1 . 1 9 9 A C2 C 13 150.255 0.3 . 1 . . . . A 9 A C2 . 30665 1 141 . 1 . 1 9 9 A C2' C 13 71.826 0.3 . 1 . . . . A 9 A C2' . 30665 1 142 . 1 . 1 9 9 A C3' C 13 69.929 0.3 . 1 . . . . A 9 A C3' . 30665 1 143 . 1 . 1 9 9 A C4' C 13 80.933 0.3 . 1 . . . . A 9 A C4' . 30665 1 144 . 1 . 1 9 9 A C5' C 13 62.243 0.3 . 1 . . . . A 9 A C5' . 30665 1 145 . 1 . 1 9 9 A C8 C 13 136.334 0.3 . 1 . . . . A 9 A C8 . 30665 1 146 . 1 . 1 10 10 G H1 H 1 12.291 0.05 . 1 . . . . A 10 G H1 . 30665 1 147 . 1 . 1 10 10 G H1' H 1 5.348 0.05 . 1 . . . . A 10 G H1' . 30665 1 148 . 1 . 1 10 10 G H2' H 1 4.390 0.05 . 1 . . . . A 10 G H2' . 30665 1 149 . 1 . 1 10 10 G H3' H 1 3.853 0.05 . 1 . . . . A 10 G H3' . 30665 1 150 . 1 . 1 10 10 G H4' H 1 4.003 0.05 . 1 . . . . A 10 G H4' . 30665 1 151 . 1 . 1 10 10 G H5' H 1 4.312 0.05 . 1 . . . . A 10 G H5' . 30665 1 152 . 1 . 1 10 10 G H5'' H 1 3.619 0.05 . 1 . . . . A 10 G H5'' . 30665 1 153 . 1 . 1 10 10 G H8 H 1 7.987 0.05 . 1 . . . . A 10 G H8 . 30665 1 154 . 1 . 1 10 10 G C1' C 13 90.220 0.3 . 1 . . . . A 10 G C1' . 30665 1 155 . 1 . 1 10 10 G C2' C 13 71.518 0.3 . 1 . . . . A 10 G C2' . 30665 1 156 . 1 . 1 10 10 G C3' C 13 69.812 0.3 . 1 . . . . A 10 G C3' . 30665 1 157 . 1 . 1 10 10 G C4' C 13 80.887 0.3 . 1 . . . . A 10 G C4' . 30665 1 158 . 1 . 1 10 10 G C5' C 13 63.428 0.3 . 1 . . . . A 10 G C5' . 30665 1 159 . 1 . 1 10 10 G C8 C 13 136.350 0.3 . 1 . . . . A 10 G C8 . 30665 1 160 . 1 . 1 10 10 G N1 N 15 147.974 0.12 . 1 . . . . A 10 G N1 . 30665 1 161 . 1 . 1 11 11 C H1' H 1 5.337 0.05 . 1 . . . . A 11 C H1' . 30665 1 162 . 1 . 1 11 11 C H2' H 1 4.395 0.05 . 1 . . . . A 11 C H2' . 30665 1 163 . 1 . 1 11 11 C H3' H 1 3.864 0.05 . 1 . . . . A 11 C H3' . 30665 1 164 . 1 . 1 11 11 C H4' H 1 4.007 0.05 . 1 . . . . A 11 C H4' . 30665 1 165 . 1 . 1 11 11 C H5 H 1 6.076 0.05 . 1 . . . . A 11 C H5 . 30665 1 166 . 1 . 1 11 11 C H5' H 1 3.638 0.05 . 1 . . . . A 11 C H5' . 30665 1 167 . 1 . 1 11 11 C H5'' H 1 3.445 0.05 . 1 . . . . A 11 C H5'' . 30665 1 168 . 1 . 1 11 11 C H6 H 1 7.652 0.05 . 1 . . . . A 11 C H6 . 30665 1 169 . 1 . 1 11 11 C C1' C 13 90.014 0.3 . 1 . . . . A 11 C C1' . 30665 1 170 . 1 . 1 11 11 C C2' C 13 71.529 0.3 . 1 . . . . A 11 C C2' . 30665 1 171 . 1 . 1 11 11 C C3' C 13 69.683 0.3 . 1 . . . . A 11 C C3' . 30665 1 172 . 1 . 1 11 11 C C4' C 13 80.835 0.3 . 1 . . . . A 11 C C4' . 30665 1 173 . 1 . 1 11 11 C C5 C 13 95.240 0.3 . 1 . . . . A 11 C C5 . 30665 1 174 . 1 . 1 11 11 C C5' C 13 63.015 0.3 . 1 . . . . A 11 C C5' . 30665 1 175 . 1 . 1 11 11 C C6 C 13 134.368 0.3 . 1 . . . . A 11 C C6 . 30665 1 176 . 1 . 1 12 12 A H1' H 1 5.458 0.05 . 1 . . . . A 12 A H1' . 30665 1 177 . 1 . 1 12 12 A H2' H 1 4.553 0.05 . 1 . . . . A 12 A H2' . 30665 1 178 . 1 . 1 12 12 A H3' H 1 3.844 0.05 . 1 . . . . A 12 A H3' . 30665 1 179 . 1 . 1 12 12 A H4' H 1 3.985 0.05 . 1 . . . . A 12 A H4' . 30665 1 180 . 1 . 1 12 12 A H5' H 1 4.246 0.05 . 1 . . . . A 12 A H5' . 30665 1 181 . 1 . 1 12 12 A H5'' H 1 3.625 0.05 . 1 . . . . A 12 A H5'' . 30665 1 182 . 1 . 1 12 12 A H8 H 1 7.869 0.05 . 1 . . . . A 12 A H8 . 30665 1 183 . 1 . 1 12 12 A C1' C 13 89.900 0.3 . 1 . . . . A 12 A C1' . 30665 1 184 . 1 . 1 12 12 A C2 C 13 150.224 0.3 . 1 . . . . A 12 A C2 . 30665 1 185 . 1 . 1 12 12 A C2' C 13 73.001 0.3 . 1 . . . . A 12 A C2' . 30665 1 186 . 1 . 1 12 12 A C3' C 13 70.692 0.3 . 1 . . . . A 12 A C3' . 30665 1 187 . 1 . 1 12 12 A C4' C 13 80.789 0.3 . 1 . . . . A 12 A C4' . 30665 1 188 . 1 . 1 12 12 A C5' C 13 62.927 0.3 . 1 . . . . A 12 A C5' . 30665 1 189 . 1 . 1 12 12 A C8 C 13 134.009 0.3 . 1 . . . . A 12 A C8 . 30665 1 190 . 1 . 1 13 13 C H1' H 1 5.827 0.05 . 1 . . . . A 13 C H1' . 30665 1 191 . 1 . 1 13 13 C H2' H 1 4.506 0.05 . 1 . . . . A 13 C H2' . 30665 1 192 . 1 . 1 13 13 C H3' H 1 3.825 0.05 . 1 . . . . A 13 C H3' . 30665 1 193 . 1 . 1 13 13 C H4' H 1 3.979 0.05 . 1 . . . . A 13 C H4' . 30665 1 194 . 1 . 1 13 13 C H5 H 1 5.508 0.05 . 1 . . . . A 13 C H5 . 30665 1 195 . 1 . 1 13 13 C H5' H 1 4.246 0.05 . 1 . . . . A 13 C H5' . 30665 1 196 . 1 . 1 13 13 C H5'' H 1 3.625 0.05 . 1 . . . . A 13 C H5'' . 30665 1 197 . 1 . 1 13 13 C H6 H 1 8.024 0.05 . 1 . . . . A 13 C H6 . 30665 1 198 . 1 . 1 13 13 C C1' C 13 90.043 0.3 . 1 . . . . A 13 C C1' . 30665 1 199 . 1 . 1 13 13 C C2' C 13 72.868 0.3 . 1 . . . . A 13 C C2' . 30665 1 200 . 1 . 1 13 13 C C3' C 13 70.581 0.3 . 1 . . . . A 13 C C3' . 30665 1 201 . 1 . 1 13 13 C C4' C 13 81.744 0.3 . 1 . . . . A 13 C C4' . 30665 1 202 . 1 . 1 13 13 C C5 C 13 95.497 0.3 . 1 . . . . A 13 C C5 . 30665 1 203 . 1 . 1 13 13 C C5' C 13 64.444 0.3 . 1 . . . . A 13 C C5' . 30665 1 204 . 1 . 1 13 13 C C6 C 13 137.427 0.3 . 1 . . . . A 13 C C6 . 30665 1 205 . 1 . 1 14 14 G H1 H 1 12.042 0.05 . 1 . . . . A 14 G H1 . 30665 1 206 . 1 . 1 14 14 G H1' H 1 5.468 0.05 . 1 . . . . A 14 G H1' . 30665 1 207 . 1 . 1 14 14 G H2' H 1 4.519 0.05 . 1 . . . . A 14 G H2' . 30665 1 208 . 1 . 1 14 14 G H3' H 1 3.828 0.05 . 1 . . . . A 14 G H3' . 30665 1 209 . 1 . 1 14 14 G H4' H 1 3.964 0.05 . 1 . . . . A 14 G H4' . 30665 1 210 . 1 . 1 14 14 G H5' H 1 4.022 0.05 . 1 . . . . A 14 G H5' . 30665 1 211 . 1 . 1 14 14 G H5'' H 1 3.625 0.05 . 1 . . . . A 14 G H5'' . 30665 1 212 . 1 . 1 14 14 G H8 H 1 7.638 0.05 . 1 . . . . A 14 G H8 . 30665 1 213 . 1 . 1 14 14 G C1' C 13 88.948 0.3 . 1 . . . . A 14 G C1' . 30665 1 214 . 1 . 1 14 14 G C2' C 13 72.818 0.3 . 1 . . . . A 14 G C2' . 30665 1 215 . 1 . 1 14 14 G C3' C 13 70.350 0.3 . 1 . . . . A 14 G C3' . 30665 1 216 . 1 . 1 14 14 G C4' C 13 82.242 0.3 . 1 . . . . A 14 G C4' . 30665 1 217 . 1 . 1 14 14 G C5' C 13 62.633 0.3 . 1 . . . . A 14 G C5' . 30665 1 218 . 1 . 1 14 14 G C8 C 13 138.238 0.3 . 1 . . . . A 14 G C8 . 30665 1 219 . 1 . 1 14 14 G N1 N 15 146.275 0.12 . 1 . . . . A 14 G N1 . 30665 1 220 . 1 . 1 15 15 A H1' H 1 5.468 0.05 . 1 . . . . A 15 A H1' . 30665 1 221 . 1 . 1 15 15 A H2 H 1 7.588 0.05 . 1 . . . . A 15 A H2 . 30665 1 222 . 1 . 1 15 15 A H2' H 1 4.398 0.05 . 1 . . . . A 15 A H2' . 30665 1 223 . 1 . 1 15 15 A H3' H 1 4.436 0.05 . 1 . . . . A 15 A H3' . 30665 1 224 . 1 . 1 15 15 A H4' H 1 3.950 0.05 . 1 . . . . A 15 A H4' . 30665 1 225 . 1 . 1 15 15 A H5' H 1 3.928 0.05 . 1 . . . . A 15 A H5' . 30665 1 226 . 1 . 1 15 15 A H5'' H 1 3.615 0.05 . 1 . . . . A 15 A H5'' . 30665 1 227 . 1 . 1 15 15 A H8 H 1 7.704 0.05 . 1 . . . . A 15 A H8 . 30665 1 228 . 1 . 1 15 15 A C1' C 13 89.671 0.3 . 1 . . . . A 15 A C1' . 30665 1 229 . 1 . 1 15 15 A C2 C 13 151.753 0.3 . 1 . . . . A 15 A C2 . 30665 1 230 . 1 . 1 15 15 A C2' C 13 72.622 0.3 . 1 . . . . A 15 A C2' . 30665 1 231 . 1 . 1 15 15 A C3' C 13 70.186 0.3 . 1 . . . . A 15 A C3' . 30665 1 232 . 1 . 1 15 15 A C4' C 13 83.037 0.3 . 1 . . . . A 15 A C4' . 30665 1 233 . 1 . 1 15 15 A C5' C 13 62.446 0.3 . 1 . . . . A 15 A C5' . 30665 1 234 . 1 . 1 15 15 A C8 C 13 139.627 0.3 . 1 . . . . A 15 A C8 . 30665 1 235 . 1 . 1 16 16 A H2' H 1 4.388 0.05 . 1 . . . . A 16 A H2' . 30665 1 236 . 1 . 1 16 16 A H3' H 1 3.856 0.05 . 1 . . . . A 16 A H3' . 30665 1 237 . 1 . 1 16 16 A H4' H 1 3.936 0.05 . 1 . . . . A 16 A H4' . 30665 1 238 . 1 . 1 16 16 A H5' H 1 3.842 0.05 . 1 . . . . A 16 A H5' . 30665 1 239 . 1 . 1 16 16 A H5'' H 1 3.605 0.05 . 1 . . . . A 16 A H5'' . 30665 1 240 . 1 . 1 19 19 U H5 H 1 5.729 0.05 . 1 . . . . A 19 U H5 . 30665 1 241 . 1 . 1 19 19 U H6 H 1 7.818 0.05 . 1 . . . . A 19 U H6 . 30665 1 242 . 1 . 1 20 20 C H3' H 1 4.313 0.05 . 1 . . . . A 20 C H3' . 30665 1 243 . 1 . 1 20 20 C H4' H 1 3.943 0.05 . 1 . . . . A 20 C H4' . 30665 1 244 . 1 . 1 20 20 C H5 H 1 5.340 0.05 . 1 . . . . A 20 C H5 . 30665 1 245 . 1 . 1 20 20 C H5' H 1 3.771 0.05 . 1 . . . . A 20 C H5' . 30665 1 246 . 1 . 1 20 20 C H5'' H 1 3.599 0.05 . 1 . . . . A 20 C H5'' . 30665 1 247 . 1 . 1 20 20 C H6 H 1 7.511 0.05 . 1 . . . . A 20 C H6 . 30665 1 248 . 1 . 1 21 21 U H1' H 1 5.357 0.05 . 1 . . . . A 21 U H1' . 30665 1 249 . 1 . 1 21 21 U H2' H 1 4.118 0.05 . 1 . . . . A 21 U H2' . 30665 1 250 . 1 . 1 21 21 U H3 H 1 14.211 0.12 . 1 . . . . A 21 U H3 . 30665 1 251 . 1 . 1 21 21 U H3' H 1 4.301 0.05 . 1 . . . . A 21 U H3' . 30665 1 252 . 1 . 1 21 21 U H4' H 1 3.953 0.05 . 1 . . . . A 21 U H4' . 30665 1 253 . 1 . 1 21 21 U H5 H 1 5.359 0.05 . 1 . . . . A 21 U H5 . 30665 1 254 . 1 . 1 21 21 U H5' H 1 3.597 0.05 . 1 . . . . A 21 U H5' . 30665 1 255 . 1 . 1 21 21 U H5'' H 1 3.593 0.05 . 1 . . . . A 21 U H5'' . 30665 1 256 . 1 . 1 21 21 U H6 H 1 7.406 0.05 . 1 . . . . A 21 U H6 . 30665 1 257 . 1 . 1 21 21 U C1' C 13 91.275 0.3 . 1 . . . . A 21 U C1' . 30665 1 258 . 1 . 1 21 21 U C2' C 13 72.561 0.3 . 1 . . . . A 21 U C2' . 30665 1 259 . 1 . 1 21 21 U C3' C 13 70.186 0.3 . 1 . . . . A 21 U C3' . 30665 1 260 . 1 . 1 21 21 U C4' C 13 84.239 0.3 . 1 . . . . A 21 U C4' . 30665 1 261 . 1 . 1 21 21 U C5 C 13 100.696 0.3 . 1 . . . . A 21 U C5 . 30665 1 262 . 1 . 1 21 21 U C5' C 13 62.009 0.3 . 1 . . . . A 21 U C5' . 30665 1 263 . 1 . 1 21 21 U C6 C 13 137.583 0.3 . 1 . . . . A 21 U C6 . 30665 1 264 . 1 . 1 21 21 U N3 N 15 162.600 0.12 . 1 . . . . A 21 U N3 . 30665 1 265 . 1 . 1 22 22 C H1' H 1 5.357 0.05 . 1 . . . . A 22 C H1' . 30665 1 266 . 1 . 1 22 22 C H2' H 1 4.118 0.05 . 1 . . . . A 22 C H2' . 30665 1 267 . 1 . 1 22 22 C H3' H 1 4.290 0.05 . 1 . . . . A 22 C H3' . 30665 1 268 . 1 . 1 22 22 C H4' H 1 3.950 0.05 . 1 . . . . A 22 C H4' . 30665 1 269 . 1 . 1 22 22 C H5 H 1 5.479 0.05 . 1 . . . . A 22 C H5 . 30665 1 270 . 1 . 1 22 22 C H5' H 1 4.345 0.05 . 1 . . . . A 22 C H5' . 30665 1 271 . 1 . 1 22 22 C H5'' H 1 3.591 0.05 . 1 . . . . A 22 C H5'' . 30665 1 272 . 1 . 1 22 22 C H6 H 1 7.406 0.05 . 1 . . . . A 22 C H6 . 30665 1 273 . 1 . 1 22 22 C H41 H 1 8.129 0.05 . 1 . . . . A 22 C H41 . 30665 1 274 . 1 . 1 22 22 C H42 H 1 6.669 0.05 . 1 . . . . A 22 C H42 . 30665 1 275 . 1 . 1 22 22 C C1' C 13 91.164 0.3 . 1 . . . . A 22 C C1' . 30665 1 276 . 1 . 1 22 22 C C2' C 13 72.517 0.3 . 1 . . . . A 22 C C2' . 30665 1 277 . 1 . 1 22 22 C C3' C 13 70.045 0.3 . 1 . . . . A 22 C C3' . 30665 1 278 . 1 . 1 22 22 C C4' C 13 79.410 0.3 . 1 . . . . A 22 C C4' . 30665 1 279 . 1 . 1 22 22 C C5 C 13 94.951 0.3 . 1 . . . . A 22 C C5 . 30665 1 280 . 1 . 1 22 22 C C5' C 13 63.382 0.3 . 1 . . . . A 22 C C5' . 30665 1 281 . 1 . 1 22 22 C C6 C 13 139.596 0.3 . 1 . . . . A 22 C C6 . 30665 1 282 . 1 . 1 23 23 G H1 H 1 12.094 0.05 . 1 . . . . A 23 G H1 . 30665 1 283 . 1 . 1 23 23 G H1' H 1 5.838 0.05 . 1 . . . . A 23 G H1' . 30665 1 284 . 1 . 1 23 23 G H2' H 1 4.602 0.05 . 1 . . . . A 23 G H2' . 30665 1 285 . 1 . 1 23 23 G H3' H 1 4.255 0.05 . 1 . . . . A 23 G H3' . 30665 1 286 . 1 . 1 23 23 G H4' H 1 3.935 0.05 . 1 . . . . A 23 G H4' . 30665 1 287 . 1 . 1 23 23 G H5' H 1 4.175 0.05 . 1 . . . . A 23 G H5' . 30665 1 288 . 1 . 1 23 23 G H5'' H 1 3.590 0.05 . 1 . . . . A 23 G H5'' . 30665 1 289 . 1 . 1 23 23 G H8 H 1 8.008 0.05 . 1 . . . . A 23 G H8 . 30665 1 290 . 1 . 1 23 23 G C1' C 13 91.140 0.3 . 1 . . . . A 23 G C1' . 30665 1 291 . 1 . 1 23 23 G C2' C 13 72.781 0.3 . 1 . . . . A 23 G C2' . 30665 1 292 . 1 . 1 23 23 G C3' C 13 69.707 0.3 . 1 . . . . A 23 G C3' . 30665 1 293 . 1 . 1 23 23 G C4' C 13 79.551 0.3 . 1 . . . . A 23 G C4' . 30665 1 294 . 1 . 1 23 23 G C5' C 13 63.164 0.3 . 1 . . . . A 23 G C5' . 30665 1 295 . 1 . 1 23 23 G C8 C 13 137.614 0.3 . 1 . . . . A 23 G C8 . 30665 1 296 . 1 . 1 23 23 G N1 N 15 146.920 0.12 . 1 . . . . A 23 G N1 . 30665 1 297 . 1 . 1 24 24 A H1' H 1 5.338 0.05 . 1 . . . . A 24 A H1' . 30665 1 298 . 1 . 1 24 24 A H2' H 1 4.598 0.05 . 1 . . . . A 24 A H2' . 30665 1 299 . 1 . 1 24 24 A H3' H 1 4.180 0.05 . 1 . . . . A 24 A H3' . 30665 1 300 . 1 . 1 24 24 A H4' H 1 3.927 0.05 . 1 . . . . A 24 A H4' . 30665 1 301 . 1 . 1 24 24 A H5' H 1 3.773 0.05 . 1 . . . . A 24 A H5' . 30665 1 302 . 1 . 1 24 24 A H5'' H 1 3.525 0.05 . 1 . . . . A 24 A H5'' . 30665 1 303 . 1 . 1 24 24 A H8 H 1 7.961 0.05 . 1 . . . . A 24 A H8 . 30665 1 304 . 1 . 1 24 24 A C1' C 13 91.103 0.3 . 1 . . . . A 24 A C1' . 30665 1 305 . 1 . 1 24 24 A C2 C 13 150.193 0.3 . 1 . . . . A 24 A C2 . 30665 1 306 . 1 . 1 24 24 A C2' C 13 72.609 0.3 . 1 . . . . A 24 A C2' . 30665 1 307 . 1 . 1 24 24 A C3' C 13 69.338 0.3 . 1 . . . . A 24 A C3' . 30665 1 308 . 1 . 1 24 24 A C4' C 13 79.598 0.3 . 1 . . . . A 24 A C4' . 30665 1 309 . 1 . 1 24 24 A C5' C 13 61.806 0.3 . 1 . . . . A 24 A C5' . 30665 1 310 . 1 . 1 24 24 A C8 C 13 141.906 0.3 . 1 . . . . A 24 A C8 . 30665 1 311 . 1 . 1 25 25 U H1' H 1 5.351 0.05 . 1 . . . . A 25 U H1' . 30665 1 312 . 1 . 1 25 25 U H2' H 1 4.343 0.05 . 1 . . . . A 25 U H2' . 30665 1 313 . 1 . 1 25 25 U H3' H 1 4.163 0.05 . 1 . . . . A 25 U H3' . 30665 1 314 . 1 . 1 25 25 U H4' H 1 3.932 0.05 . 1 . . . . A 25 U H4' . 30665 1 315 . 1 . 1 25 25 U H5 H 1 5.779 0.05 . 1 . . . . A 25 U H5 . 30665 1 316 . 1 . 1 25 25 U H5' H 1 3.878 0.05 . 1 . . . . A 25 U H5' . 30665 1 317 . 1 . 1 25 25 U H5'' H 1 3.480 0.05 . 1 . . . . A 25 U H5'' . 30665 1 318 . 1 . 1 25 25 U H6 H 1 7.862 0.05 . 1 . . . . A 25 U H6 . 30665 1 319 . 1 . 1 25 25 U C1' C 13 91.056 0.3 . 1 . . . . A 25 U C1' . 30665 1 320 . 1 . 1 25 25 U C2' C 13 72.515 0.3 . 1 . . . . A 25 U C2' . 30665 1 321 . 1 . 1 25 25 U C3' C 13 69.824 0.3 . 1 . . . . A 25 U C3' . 30665 1 322 . 1 . 1 25 25 U C4' C 13 80.425 0.3 . 1 . . . . A 25 U C4' . 30665 1 323 . 1 . 1 25 25 U C5 C 13 102.753 0.3 . 1 . . . . A 25 U C5 . 30665 1 324 . 1 . 1 25 25 U C5' C 13 61.900 0.3 . 1 . . . . A 25 U C5' . 30665 1 325 . 1 . 1 25 25 U C6 C 13 139.877 0.3 . 1 . . . . A 25 U C6 . 30665 1 326 . 1 . 1 26 26 G H3' H 1 4.136 0.05 . 1 . . . . A 26 G H3' . 30665 1 327 . 1 . 1 26 26 G H4' H 1 3.930 0.05 . 1 . . . . A 26 G H4' . 30665 1 328 . 1 . 1 26 26 G H5' H 1 3.707 0.05 . 1 . . . . A 26 G H5' . 30665 1 329 . 1 . 1 26 26 G H5'' H 1 3.481 0.05 . 1 . . . . A 26 G H5'' . 30665 1 330 . 1 . 1 26 26 G C3' C 13 69.360 0.3 . 1 . . . . A 26 G C3' . 30665 1 331 . 1 . 1 26 26 G C4' C 13 80.503 0.3 . 1 . . . . A 26 G C4' . 30665 1 332 . 1 . 1 26 26 G C5' C 13 64.631 0.3 . 1 . . . . A 26 G C5' . 30665 1 333 . 1 . 1 26 26 G C8 C 13 133.010 0.3 . 1 . . . . A 26 G C8 . 30665 1 334 . 1 . 1 26 26 G N1 N 15 148.114 0.12 . 1 . . . . A 26 G N1 . 30665 1 335 . 1 . 1 27 27 U H1' H 1 5.952 0.05 . 1 . . . . A 27 U H1' . 30665 1 336 . 1 . 1 27 27 U H2' H 1 4.462 0.05 . 1 . . . . A 27 U H2' . 30665 1 337 . 1 . 1 27 27 U H3' H 1 4.092 0.05 . 1 . . . . A 27 U H3' . 30665 1 338 . 1 . 1 27 27 U H4' H 1 3.892 0.05 . 1 . . . . A 27 U H4' . 30665 1 339 . 1 . 1 27 27 U H5 H 1 5.918 0.05 . 1 . . . . A 27 U H5 . 30665 1 340 . 1 . 1 27 27 U H5' H 1 3.847 0.05 . 1 . . . . A 27 U H5' . 30665 1 341 . 1 . 1 27 27 U H5'' H 1 3.446 0.05 . 1 . . . . A 27 U H5'' . 30665 1 342 . 1 . 1 27 27 U H6 H 1 7.867 0.05 . 1 . . . . A 27 U H6 . 30665 1 343 . 1 . 1 27 27 U C1' C 13 91.423 0.3 . 1 . . . . A 27 U C1' . 30665 1 344 . 1 . 1 27 27 U C2' C 13 74.994 0.3 . 1 . . . . A 27 U C2' . 30665 1 345 . 1 . 1 27 27 U C3' C 13 69.828 0.3 . 1 . . . . A 27 U C3' . 30665 1 346 . 1 . 1 27 27 U C4' C 13 79.301 0.3 . 1 . . . . A 27 U C4' . 30665 1 347 . 1 . 1 27 27 U C5 C 13 102.614 0.3 . 1 . . . . A 27 U C5 . 30665 1 348 . 1 . 1 27 27 U C5' C 13 64.698 0.3 . 1 . . . . A 27 U C5' . 30665 1 349 . 1 . 1 27 27 U C6 C 13 132.776 0.3 . 1 . . . . A 27 U C6 . 30665 1 350 . 1 . 1 28 28 C H1' H 1 5.780 0.05 . 1 . . . . A 28 C H1' . 30665 1 351 . 1 . 1 28 28 C H2' H 1 4.520 0.05 . 1 . . . . A 28 C H2' . 30665 1 352 . 1 . 1 28 28 C H3' H 1 4.062 0.05 . 1 . . . . A 28 C H3' . 30665 1 353 . 1 . 1 28 28 C H4' H 1 4.275 0.05 . 1 . . . . A 28 C H4' . 30665 1 354 . 1 . 1 28 28 C H5 H 1 5.406 0.05 . 1 . . . . A 28 C H5 . 30665 1 355 . 1 . 1 28 28 C H5' H 1 4.311 0.05 . 1 . . . . A 28 C H5' . 30665 1 356 . 1 . 1 28 28 C H5'' H 1 3.437 0.05 . 1 . . . . A 28 C H5'' . 30665 1 357 . 1 . 1 28 28 C H6 H 1 7.572 0.05 . 1 . . . . A 28 C H6 . 30665 1 358 . 1 . 1 28 28 C H41 H 1 8.054 0.05 . 1 . . . . A 28 C H41 . 30665 1 359 . 1 . 1 28 28 C H42 H 1 6.522 0.05 . 1 . . . . A 28 C H42 . 30665 1 360 . 1 . 1 28 28 C C1' C 13 91.244 0.3 . 1 . . . . A 28 C C1' . 30665 1 361 . 1 . 1 28 28 C C2' C 13 74.081 0.3 . 1 . . . . A 28 C C2' . 30665 1 362 . 1 . 1 28 28 C C3' C 13 70.124 0.3 . 1 . . . . A 28 C C3' . 30665 1 363 . 1 . 1 28 28 C C4' C 13 79.129 0.3 . 1 . . . . A 28 C C4' . 30665 1 364 . 1 . 1 28 28 C C5 C 13 94.272 0.3 . 1 . . . . A 28 C C5 . 30665 1 365 . 1 . 1 28 28 C C5' C 13 62.789 0.3 . 1 . . . . A 28 C C5' . 30665 1 366 . 1 . 1 28 28 C C6 C 13 137.907 0.3 . 1 . . . . A 28 C C6 . 30665 1 367 . 1 . 1 29 29 U H1' H 1 5.839 0.05 . 1 . . . . A 29 U H1' . 30665 1 368 . 1 . 1 29 29 U H2' H 1 4.395 0.05 . 1 . . . . A 29 U H2' . 30665 1 369 . 1 . 1 29 29 U H3 H 1 13.102 0.05 . 1 . . . . A 29 U H3 . 30665 1 370 . 1 . 1 29 29 U H3' H 1 3.953 0.05 . 1 . . . . A 29 U H3' . 30665 1 371 . 1 . 1 29 29 U H4' H 1 4.265 0.05 . 1 . . . . A 29 U H4' . 30665 1 372 . 1 . 1 29 29 U H5 H 1 5.237 0.05 . 1 . . . . A 29 U H5 . 30665 1 373 . 1 . 1 29 29 U H5' H 1 4.245 0.05 . 1 . . . . A 29 U H5' . 30665 1 374 . 1 . 1 29 29 U H5'' H 1 3.435 0.05 . 1 . . . . A 29 U H5'' . 30665 1 375 . 1 . 1 29 29 U H6 H 1 7.638 0.05 . 1 . . . . A 29 U H6 . 30665 1 376 . 1 . 1 29 29 U C1' C 13 91.211 0.3 . 1 . . . . A 29 U C1' . 30665 1 377 . 1 . 1 29 29 U C2' C 13 73.494 0.3 . 1 . . . . A 29 U C2' . 30665 1 378 . 1 . 1 29 29 U C3' C 13 70.405 0.3 . 1 . . . . A 29 U C3' . 30665 1 379 . 1 . 1 29 29 U C4' C 13 79.239 0.3 . 1 . . . . A 29 U C4' . 30665 1 380 . 1 . 1 29 29 U C5 C 13 102.321 0.3 . 1 . . . . A 29 U C5 . 30665 1 381 . 1 . 1 29 29 U C5' C 13 61.229 0.3 . 1 . . . . A 29 U C5' . 30665 1 382 . 1 . 1 29 29 U C6 C 13 139.435 0.3 . 1 . . . . A 29 U C6 . 30665 1 383 . 1 . 1 29 29 U N3 N 15 161.770 0.12 . 1 . . . . A 29 U N3 . 30665 1 384 . 1 . 1 30 30 A H1' H 1 5.470 0.05 . 1 . . . . A 30 A H1' . 30665 1 385 . 1 . 1 30 30 A H2 H 1 6.188 0.05 . 1 . . . . A 30 A H2 . 30665 1 386 . 1 . 1 30 30 A H2' H 1 4.439 0.05 . 1 . . . . A 30 A H2' . 30665 1 387 . 1 . 1 30 30 A H3' H 1 3.938 0.05 . 1 . . . . A 30 A H3' . 30665 1 388 . 1 . 1 30 30 A H4' H 1 4.195 0.05 . 1 . . . . A 30 A H4' . 30665 1 389 . 1 . 1 30 30 A H5' H 1 4.020 0.05 . 1 . . . . A 30 A H5' . 30665 1 390 . 1 . 1 30 30 A H5'' H 1 3.439 0.05 . 1 . . . . A 30 A H5'' . 30665 1 391 . 1 . 1 30 30 A H8 H 1 8.023 0.05 . 1 . . . . A 30 A H8 . 30665 1 392 . 1 . 1 30 30 A C1' C 13 90.968 0.3 . 1 . . . . A 30 A C1' . 30665 1 393 . 1 . 1 30 30 A C2 C 13 150.068 0.3 . 1 . . . . A 30 A C2 . 30665 1 394 . 1 . 1 30 30 A C2' C 13 74.551 0.3 . 1 . . . . A 30 A C2' . 30665 1 395 . 1 . 1 30 30 A C3' C 13 69.594 0.3 . 1 . . . . A 30 A C3' . 30665 1 396 . 1 . 1 30 30 A C4' C 13 79.332 0.3 . 1 . . . . A 30 A C4' . 30665 1 397 . 1 . 1 30 30 A C5' C 13 61.556 0.3 . 1 . . . . A 30 A C5' . 30665 1 398 . 1 . 1 30 30 A C8 C 13 136.524 0.3 . 1 . . . . A 30 A C8 . 30665 1 399 . 1 . 1 31 31 A H1' H 1 5.839 0.05 . 1 . . . . A 31 A H1' . 30665 1 400 . 1 . 1 31 31 A H2 H 1 7.074 0.05 . 1 . . . . A 31 A H2 . 30665 1 401 . 1 . 1 31 31 A H2' H 1 4.419 0.05 . 1 . . . . A 31 A H2' . 30665 1 402 . 1 . 1 31 31 A H3' H 1 3.933 0.05 . 1 . . . . A 31 A H3' . 30665 1 403 . 1 . 1 31 31 A H4' H 1 4.177 0.05 . 1 . . . . A 31 A H4' . 30665 1 404 . 1 . 1 31 31 A H5' H 1 3.929 0.05 . 1 . . . . A 31 A H5' . 30665 1 405 . 1 . 1 31 31 A H5'' H 1 3.435 0.05 . 1 . . . . A 31 A H5'' . 30665 1 406 . 1 . 1 31 31 A H8 H 1 7.862 0.05 . 1 . . . . A 31 A H8 . 30665 1 407 . 1 . 1 31 31 A C1' C 13 89.833 0.3 . 1 . . . . A 31 A C1' . 30665 1 408 . 1 . 1 31 31 A C2 C 13 150.099 0.3 . 1 . . . . A 31 A C2 . 30665 1 409 . 1 . 1 31 31 A C2' C 13 73.115 0.3 . 1 . . . . A 31 A C2' . 30665 1 410 . 1 . 1 31 31 A C3' C 13 70.234 0.3 . 1 . . . . A 31 A C3' . 30665 1 411 . 1 . 1 31 31 A C4' C 13 79.520 0.3 . 1 . . . . A 31 A C4' . 30665 1 412 . 1 . 1 31 31 A C5' C 13 61.650 0.3 . 1 . . . . A 31 A C5' . 30665 1 413 . 1 . 1 31 31 A C8 C 13 136.503 0.3 . 1 . . . . A 31 A C8 . 30665 1 414 . 1 . 1 32 32 G H1 H 1 12.244 0.05 . 1 . . . . A 32 G H1 . 30665 1 415 . 1 . 1 32 32 G H1' H 1 5.415 0.05 . 1 . . . . A 32 G H1' . 30665 1 416 . 1 . 1 32 32 G H2' H 1 4.416 0.05 . 1 . . . . A 32 G H2' . 30665 1 417 . 1 . 1 32 32 G H3' H 1 3.916 0.05 . 1 . . . . A 32 G H3' . 30665 1 418 . 1 . 1 32 32 G H4' H 1 4.181 0.05 . 1 . . . . A 32 G H4' . 30665 1 419 . 1 . 1 32 32 G H5' H 1 3.750 0.05 . 1 . . . . A 32 G H5' . 30665 1 420 . 1 . 1 32 32 G H5'' H 1 3.432 0.05 . 1 . . . . A 32 G H5'' . 30665 1 421 . 1 . 1 32 32 G H8 H 1 7.542 0.05 . 1 . . . . A 32 G H8 . 30665 1 422 . 1 . 1 32 32 G C1' C 13 89.571 0.3 . 1 . . . . A 32 G C1' . 30665 1 423 . 1 . 1 32 32 G C2' C 13 72.481 0.3 . 1 . . . . A 32 G C2' . 30665 1 424 . 1 . 1 32 32 G C3' C 13 69.984 0.3 . 1 . . . . A 32 G C3' . 30665 1 425 . 1 . 1 32 32 G C4' C 13 79.707 0.3 . 1 . . . . A 32 G C4' . 30665 1 426 . 1 . 1 32 32 G C5' C 13 61.806 0.3 . 1 . . . . A 32 G C5' . 30665 1 427 . 1 . 1 32 32 G C8 C 13 135.684 0.3 . 1 . . . . A 32 G C8 . 30665 1 428 . 1 . 1 32 32 G N1 N 15 146.595 0.12 . 1 . . . . A 32 G N1 . 30665 1 429 . 1 . 1 33 33 A H1' H 1 5.335 0.05 . 1 . . . . A 33 A H1' . 30665 1 430 . 1 . 1 33 33 A H2 H 1 6.874 0.05 . 1 . . . . A 33 A H2 . 30665 1 431 . 1 . 1 33 33 A H2' H 1 4.376 0.05 . 1 . . . . A 33 A H2' . 30665 1 432 . 1 . 1 33 33 A H3' H 1 3.929 0.05 . 1 . . . . A 33 A H3' . 30665 1 433 . 1 . 1 33 33 A H4' H 1 4.186 0.05 . 1 . . . . A 33 A H4' . 30665 1 434 . 1 . 1 33 33 A H5' H 1 3.625 0.05 . 1 . . . . A 33 A H5' . 30665 1 435 . 1 . 1 33 33 A H5'' H 1 3.436 0.05 . 1 . . . . A 33 A H5'' . 30665 1 436 . 1 . 1 33 33 A H8 H 1 7.738 0.05 . 1 . . . . A 33 A H8 . 30665 1 437 . 1 . 1 33 33 A C1' C 13 90.288 0.3 . 1 . . . . A 33 A C1' . 30665 1 438 . 1 . 1 33 33 A C2 C 13 151.270 0.3 . 1 . . . . A 33 A C2 . 30665 1 439 . 1 . 1 33 33 A C2' C 13 71.654 0.3 . 1 . . . . A 33 A C2' . 30665 1 440 . 1 . 1 33 33 A C3' C 13 69.282 0.3 . 1 . . . . A 33 A C3' . 30665 1 441 . 1 . 1 33 33 A C4' C 13 80.253 0.3 . 1 . . . . A 33 A C4' . 30665 1 442 . 1 . 1 33 33 A C5' C 13 64.168 0.3 . 1 . . . . A 33 A C5' . 30665 1 443 . 1 . 1 33 33 A C8 C 13 136.615 0.3 . 1 . . . . A 33 A C8 . 30665 1 444 . 1 . 1 34 34 A H1' H 1 5.731 0.05 . 1 . . . . A 34 A H1' . 30665 1 445 . 1 . 1 34 34 A H2 H 1 6.945 0.05 . 1 . . . . A 34 A H2 . 30665 1 446 . 1 . 1 34 34 A H2' H 1 4.440 0.05 . 1 . . . . A 34 A H2' . 30665 1 447 . 1 . 1 34 34 A H3' H 1 3.864 0.05 . 1 . . . . A 34 A H3' . 30665 1 448 . 1 . 1 34 34 A H4' H 1 4.164 0.05 . 1 . . . . A 34 A H4' . 30665 1 449 . 1 . 1 34 34 A H5' H 1 3.576 0.05 . 1 . . . . A 34 A H5' . 30665 1 450 . 1 . 1 34 34 A H5'' H 1 3.371 0.05 . 1 . . . . A 34 A H5'' . 30665 1 451 . 1 . 1 34 34 A H8 H 1 7.722 0.05 . 1 . . . . A 34 A H8 . 30665 1 452 . 1 . 1 34 34 A C1' C 13 90.990 0.3 . 1 . . . . A 34 A C1' . 30665 1 453 . 1 . 1 34 34 A C2 C 13 151.207 0.3 . 1 . . . . A 34 A C2 . 30665 1 454 . 1 . 1 34 34 A C2' C 13 72.762 0.3 . 1 . . . . A 34 A C2' . 30665 1 455 . 1 . 1 34 34 A C3' C 13 70.686 0.3 . 1 . . . . A 34 A C3' . 30665 1 456 . 1 . 1 34 34 A C4' C 13 79.083 0.3 . 1 . . . . A 34 A C4' . 30665 1 457 . 1 . 1 34 34 A C5' C 13 62.009 0.3 . 1 . . . . A 34 A C5' . 30665 1 458 . 1 . 1 34 34 A C8 C 13 136.396 0.3 . 1 . . . . A 34 A C8 . 30665 1 459 . 1 . 1 35 35 A H1' H 1 5.515 0.05 . 1 . . . . A 35 A H1' . 30665 1 460 . 1 . 1 35 35 A H2 H 1 7.602 0.05 . 1 . . . . A 35 A H2 . 30665 1 461 . 1 . 1 35 35 A H2' H 1 4.418 0.05 . 1 . . . . A 35 A H2' . 30665 1 462 . 1 . 1 35 35 A H3' H 1 3.855 0.05 . 1 . . . . A 35 A H3' . 30665 1 463 . 1 . 1 35 35 A H4' H 1 4.172 0.05 . 1 . . . . A 35 A H4' . 30665 1 464 . 1 . 1 35 35 A H5' H 1 3.666 0.05 . 1 . . . . A 35 A H5' . 30665 1 465 . 1 . 1 35 35 A H5'' H 1 3.315 0.05 . 1 . . . . A 35 A H5'' . 30665 1 466 . 1 . 1 35 35 A H8 H 1 7.894 0.05 . 1 . . . . A 35 A H8 . 30665 1 467 . 1 . 1 35 35 A C1' C 13 90.034 0.3 . 1 . . . . A 35 A C1' . 30665 1 468 . 1 . 1 35 35 A C2 C 13 151.753 0.3 . 1 . . . . A 35 A C2 . 30665 1 469 . 1 . 1 35 35 A C2' C 13 72.840 0.3 . 1 . . . . A 35 A C2' . 30665 1 470 . 1 . 1 35 35 A C3' C 13 69.859 0.3 . 1 . . . . A 35 A C3' . 30665 1 471 . 1 . 1 35 35 A C4' C 13 79.285 0.3 . 1 . . . . A 35 A C4' . 30665 1 472 . 1 . 1 35 35 A C5' C 13 61.182 0.3 . 1 . . . . A 35 A C5' . 30665 1 473 . 1 . 1 35 35 A C8 C 13 136.958 0.3 . 1 . . . . A 35 A C8 . 30665 1 474 . 1 . 1 36 36 C H1' H 1 5.540 0.05 . 1 . . . . A 36 C H1' . 30665 1 475 . 1 . 1 36 36 C H2' H 1 4.501 0.05 . 1 . . . . A 36 C H2' . 30665 1 476 . 1 . 1 36 36 C H3' H 1 4.072 0.05 . 1 . . . . A 36 C H3' . 30665 1 477 . 1 . 1 36 36 C H4' H 1 4.123 0.05 . 1 . . . . A 36 C H4' . 30665 1 478 . 1 . 1 36 36 C H5 H 1 5.80 0.05 . 1 . . . . A 36 C H5 . 30665 1 479 . 1 . 1 36 36 C H5' H 1 3.771 0.05 . 1 . . . . A 36 C H5' . 30665 1 480 . 1 . 1 36 36 C H5'' H 1 3.304 0.05 . 1 . . . . A 36 C H5'' . 30665 1 481 . 1 . 1 36 36 C H6 H 1 7.373 0.05 . 1 . . . . A 36 C H6 . 30665 1 482 . 1 . 1 36 36 C H41 H 1 8.204 0.05 . 1 . . . . A 36 C H41 . 30665 1 483 . 1 . 1 36 36 C H42 H 1 6.816 0.05 . 1 . . . . A 36 C H42 . 30665 1 484 . 1 . 1 36 36 C C1' C 13 90.054 0.3 . 1 . . . . A 36 C C1' . 30665 1 485 . 1 . 1 36 36 C C2' C 13 71.888 0.3 . 1 . . . . A 36 C C2' . 30665 1 486 . 1 . 1 36 36 C C3' C 13 69.797 0.3 . 1 . . . . A 36 C C3' . 30665 1 487 . 1 . 1 36 36 C C4' C 13 82.282 0.3 . 1 . . . . A 36 C C4' . 30665 1 488 . 1 . 1 36 36 C C5 C 13 94.818 0.3 . 1 . . . . A 36 C C5 . 30665 1 489 . 1 . 1 36 36 C C5' C 13 61.432 0.3 . 1 . . . . A 36 C C5' . 30665 1 490 . 1 . 1 36 36 C C6 C 13 137.910 0.3 . 1 . . . . A 36 C C6 . 30665 1 491 . 1 . 1 37 37 C H1' H 1 5.540 0.05 . 1 . . . . A 37 C H1' . 30665 1 492 . 1 . 1 37 37 C H2' H 1 3.939 0.05 . 1 . . . . A 37 C H2' . 30665 1 493 . 1 . 1 37 37 C H3' H 1 4.082 0.05 . 1 . . . . A 37 C H3' . 30665 1 494 . 1 . 1 37 37 C H4' H 1 4.098 0.05 . 1 . . . . A 37 C H4' . 30665 1 495 . 1 . 1 37 37 C H5 H 1 5.377 0.05 . 1 . . . . A 37 C H5 . 30665 1 496 . 1 . 1 37 37 C H5' H 1 3.677 0.05 . 1 . . . . A 37 C H5' . 30665 1 497 . 1 . 1 37 37 C H5'' H 1 3.221 0.05 . 1 . . . . A 37 C H5'' . 30665 1 498 . 1 . 1 37 37 C H6 H 1 7.570 0.05 . 1 . . . . A 37 C H6 . 30665 1 499 . 1 . 1 37 37 C C1' C 13 88.977 0.3 . 1 . . . . A 37 C C1' . 30665 1 500 . 1 . 1 37 37 C C2' C 13 72.793 0.3 . 1 . . . . A 37 C C2' . 30665 1 501 . 1 . 1 37 37 C C3' C 13 69.318 0.3 . 1 . . . . A 37 C C3' . 30665 1 502 . 1 . 1 37 37 C C4' C 13 81.751 0.3 . 1 . . . . A 37 C C4' . 30665 1 503 . 1 . 1 37 37 C C5 C 13 95.801 0.3 . 1 . . . . A 37 C C5 . 30665 1 504 . 1 . 1 37 37 C C5' C 13 61.650 0.3 . 1 . . . . A 37 C C5' . 30665 1 505 . 1 . 1 37 37 C C6 C 13 136.350 0.3 . 1 . . . . A 37 C C6 . 30665 1 stop_ save_