data_28094 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28094 _Entry.Title ; Solution NMR structure of 5'UTR of Stem loop B in DENV4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-06 _Entry.Accession_date 2020-03-06 _Entry.Last_release_date 2020-03-09 _Entry.Original_release_date 2020-03-09 _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 Shrikant Sharma . . . . 28094 2 Gabriele Varani . . . . 28094 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28094 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 28094 '15N chemical shifts' 18 28094 '1H chemical shifts' 327 28094 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 . . 2021-07-28 2020-03-06 update BMRB 'update entry citation' 28094 1 . . 2020-08-18 2020-03-06 original author 'original release' 28094 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6W3M . 28094 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28094 _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 531 _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 522 _Citation.Page_last 527 _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 Shrikant Sharma . . . . 28094 1 2 Gabriele Varani . . . . 28094 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28094 _Assembly.ID 1 _Assembly.Name DENV4 _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 5_prime_UTR 1 $DENV4 A . yes native no no . . . 28094 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DENV4 _Entity.Sf_category entity _Entity.Sf_framecode DENV4 _Entity.Entry_ID 28094 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DENV4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGUUUGUUUGAAUAGAGAGC AGAUCUCUGGAAAAAUGAAC C ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 28094 1 2 . G . 28094 1 3 . U . 28094 1 4 . U . 28094 1 5 . U . 28094 1 6 . G . 28094 1 7 . U . 28094 1 8 . U . 28094 1 9 . U . 28094 1 10 . G . 28094 1 11 . A . 28094 1 12 . A . 28094 1 13 . U . 28094 1 14 . A . 28094 1 15 . G . 28094 1 16 . A . 28094 1 17 . G . 28094 1 18 . A . 28094 1 19 . G . 28094 1 20 . C . 28094 1 21 . A . 28094 1 22 . G . 28094 1 23 . A . 28094 1 24 . U . 28094 1 25 . C . 28094 1 26 . U . 28094 1 27 . C . 28094 1 28 . U . 28094 1 29 . G . 28094 1 30 . G . 28094 1 31 . A . 28094 1 32 . A . 28094 1 33 . A . 28094 1 34 . A . 28094 1 35 . A . 28094 1 36 . U . 28094 1 37 . G . 28094 1 38 . A . 28094 1 39 . A . 28094 1 40 . C . 28094 1 41 . C . 28094 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 28094 1 . G 2 2 28094 1 . U 3 3 28094 1 . U 4 4 28094 1 . U 5 5 28094 1 . G 6 6 28094 1 . U 7 7 28094 1 . U 8 8 28094 1 . U 9 9 28094 1 . G 10 10 28094 1 . A 11 11 28094 1 . A 12 12 28094 1 . U 13 13 28094 1 . A 14 14 28094 1 . G 15 15 28094 1 . A 16 16 28094 1 . G 17 17 28094 1 . A 18 18 28094 1 . G 19 19 28094 1 . C 20 20 28094 1 . A 21 21 28094 1 . G 22 22 28094 1 . A 23 23 28094 1 . U 24 24 28094 1 . C 25 25 28094 1 . U 26 26 28094 1 . C 27 27 28094 1 . U 28 28 28094 1 . G 29 29 28094 1 . G 30 30 28094 1 . A 31 31 28094 1 . A 32 32 28094 1 . A 33 33 28094 1 . A 34 34 28094 1 . A 35 35 28094 1 . U 36 36 28094 1 . G 37 37 28094 1 . A 38 38 28094 1 . A 39 39 28094 1 . C 40 40 28094 1 . C 41 41 28094 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 28094 _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 $DENV4 . 11051 virus . Flavivirus Flavivirus . . Viruses . Flavivirus . . . . . . . . . . . . . . 28094 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 28094 _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 $DENV4 . 'reverse transcriptase' 'Dengue virus' . . . Dengue virus . . . . . . Ades . . . 28094 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28094 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DENV4 '[U-99% 13C; U-99% 15N]' . . 1 $DENV4 . . 0.75 0.5 1.0 mM . . . . 28094 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28094 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 28094 _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 28094 1 pH 6.0 . pH 28094 1 pressure 1 . atm 28094 1 temperature 293 5 K 28094 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28094 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28094 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28094 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28094 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28094 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 28094 _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 spectrometer_1 Bruker Avance . 600 . . . 28094 1 2 spectrometer_2 Bruker Avance . 800 . . . 28094 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 28094 _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 TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28094 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28094 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28094 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28094 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28094 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28094 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28094 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28094 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28094 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28094 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 28094 1 2 '2D 1H-15N HSQC' . . . 28094 1 4 '2D 1H-1H NOESY' . . . 28094 1 5 '2D 1H-13C HSQC aromatic' . . . 28094 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 4.880 0.03 . 1 . . . . . 1 G H1' . 28094 1 2 . 1 . 1 1 1 G H2' H 1 4.916 0.03 . 1 . . . . . 1 G H2' . 28094 1 3 . 1 . 1 1 1 G H3' H 1 4.368 0.03 . 1 . . . . . 1 G H3' . 28094 1 4 . 1 . 1 1 1 G H4' H 1 4.507 0.03 . 1 . . . . . 1 G H4' . 28094 1 5 . 1 . 1 1 1 G H5' H 1 4.455 0.03 . 1 . . . . . 1 G H5' . 28094 1 6 . 1 . 1 1 1 G H5'' H 1 4.020 0.03 . 1 . . . . . 1 G H5'' . 28094 1 7 . 1 . 1 1 1 G H8 H 1 7.768 0.03 . 1 . . . . . 1 G H8 . 28094 1 8 . 1 . 1 1 1 G C1' C 13 89.481 0.3 . 1 . . . . . 1 G C1' . 28094 1 9 . 1 . 1 1 1 G C2' C 13 72.347 0.3 . 1 . . . . . 1 G C2' . 28094 1 10 . 1 . 1 1 1 G C3' C 13 73.472 0.3 . 1 . . . . . 1 G C3' . 28094 1 11 . 1 . 1 1 1 G C4' C 13 79.869 0.3 . 1 . . . . . 1 G C4' . 28094 1 12 . 1 . 1 1 1 G C5' C 13 65.104 0.3 . 1 . . . . . 1 G C5' . 28094 1 13 . 1 . 1 1 1 G C8 C 13 141.081 0.3 . 1 . . . . . 1 G C8 . 28094 1 14 . 1 . 1 2 2 G H1 H 1 13.235 0.03 . 1 . . . . . 2 G H1 . 28094 1 15 . 1 . 1 2 2 G H1' H 1 5.213 0.03 . 1 . . . . . 2 G H1' . 28094 1 16 . 1 . 1 2 2 G H2' H 1 4.760 0.03 . 1 . . . . . 2 G H2' . 28094 1 17 . 1 . 1 2 2 G H3' H 1 4.197 0.03 . 1 . . . . . 2 G H3' . 28094 1 18 . 1 . 1 2 2 G H4' H 1 4.412 0.03 . 1 . . . . . 2 G H4' . 28094 1 19 . 1 . 1 2 2 G H5' H 1 4.001 0.03 . 1 . . . . . 2 G H5' . 28094 1 20 . 1 . 1 2 2 G H5'' H 1 4.432 0.03 . 1 . . . . . 2 G H5'' . 28094 1 21 . 1 . 1 2 2 G H8 H 1 7.518 0.03 . 1 . . . . . 2 G H8 . 28094 1 22 . 1 . 1 2 2 G C1' C 13 90.161 0.3 . 1 . . . . . 2 G C1' . 28094 1 23 . 1 . 1 2 2 G C2' C 13 74.311 0.3 . 1 . . . . . 2 G C2' . 28094 1 24 . 1 . 1 2 2 G C3' C 13 72.801 0.3 . 1 . . . . . 2 G C3' . 28094 1 25 . 1 . 1 2 2 G C4' C 13 80.592 0.3 . 1 . . . . . 2 G C4' . 28094 1 26 . 1 . 1 2 2 G C5' C 13 65.081 0.3 . 1 . . . . . 2 G C5' . 28094 1 27 . 1 . 1 2 2 G C8 C 13 142.236 0.3 . 1 . . . . . 2 G C8 . 28094 1 28 . 1 . 1 2 2 G N1 N 15 148.128 0.3 . 1 . . . . . 2 G N1 . 28094 1 29 . 1 . 1 3 3 U H1' H 1 5.251 0.03 . 1 . . . . . 3 U H1' . 28094 1 30 . 1 . 1 3 3 U H2' H 1 4.452 0.03 . 1 . . . . . 3 U H2' . 28094 1 31 . 1 . 1 3 3 U H3 H 1 14.110 0.03 . 1 . . . . . 3 U H3 . 28094 1 32 . 1 . 1 3 3 U H3' H 1 4.731 0.03 . 1 . . . . . 3 U H3' . 28094 1 33 . 1 . 1 3 3 U H4' H 1 4.280 0.03 . 1 . . . . . 3 U H4' . 28094 1 34 . 1 . 1 3 3 U H5 H 1 5.054 0.03 . 1 . . . . . 3 U H5 . 28094 1 35 . 1 . 1 3 3 U H5' H 1 3.972 0.03 . 1 . . . . . 3 U H5' . 28094 1 36 . 1 . 1 3 3 U H5'' H 1 4.393 0.03 . 1 . . . . . 3 U H5'' . 28094 1 37 . 1 . 1 3 3 U H6 H 1 7.713 0.03 . 1 . . . . . 3 U H6 . 28094 1 38 . 1 . 1 3 3 U C1' C 13 89.218 0.3 . 1 . . . . . 3 U C1' . 28094 1 39 . 1 . 1 3 3 U C2' C 13 70.106 0.3 . 1 . . . . . 3 U C2' . 28094 1 40 . 1 . 1 3 3 U C3' C 13 72.989 0.3 . 1 . . . . . 3 U C3' . 28094 1 41 . 1 . 1 3 3 U C4' C 13 79.776 0.3 . 1 . . . . . 3 U C4' . 28094 1 42 . 1 . 1 3 3 U C5 C 13 100.654 0.3 . 1 . . . . . 3 U C5 . 28094 1 43 . 1 . 1 3 3 U C5' C 13 61.314 0.3 . 1 . . . . . 3 U C5' . 28094 1 44 . 1 . 1 3 3 U C6 C 13 134.948 0.3 . 1 . . . . . 3 U C6 . 28094 1 45 . 1 . 1 3 3 U N3 N 15 162.338 0.3 . 1 . . . . . 3 U N3 . 28094 1 46 . 1 . 1 4 4 U H1' H 1 5.041 0.03 . 1 . . . . . 4 U H1' . 28094 1 47 . 1 . 1 4 4 U H2' H 1 4.331 0.03 . 1 . . . . . 4 U H2' . 28094 1 48 . 1 . 1 4 4 U H3 H 1 13.511 0.03 . 1 . . . . . 4 U H3 . 28094 1 49 . 1 . 1 4 4 U H3' H 1 4.746 0.03 . 1 . . . . . 4 U H3' . 28094 1 50 . 1 . 1 4 4 U H4' H 1 4.427 0.03 . 1 . . . . . 4 U H4' . 28094 1 51 . 1 . 1 4 4 U H5 H 1 5.411 0.03 . 1 . . . . . 4 U H5 . 28094 1 52 . 1 . 1 4 4 U H5' H 1 4.432 0.03 . 1 . . . . . 4 U H5' . 28094 1 53 . 1 . 1 4 4 U H5'' H 1 3.994 0.03 . 1 . . . . . 4 U H5'' . 28094 1 54 . 1 . 1 4 4 U H6 H 1 7.810 0.03 . 1 . . . . . 4 U H6 . 28094 1 55 . 1 . 1 4 4 U C1' C 13 89.711 0.3 . 1 . . . . . 4 U C1' . 28094 1 56 . 1 . 1 4 4 U C2' C 13 73.381 0.3 . 1 . . . . . 4 U C2' . 28094 1 57 . 1 . 1 4 4 U C3' C 13 73.456 0.3 . 1 . . . . . 4 U C3' . 28094 1 58 . 1 . 1 4 4 U C4' C 13 79.940 0.3 . 1 . . . . . 4 U C4' . 28094 1 59 . 1 . 1 4 4 U C5 C 13 100.753 0.3 . 1 . . . . . 4 U C5 . 28094 1 60 . 1 . 1 4 4 U C5' C 13 61.337 0.3 . 1 . . . . . 4 U C5' . 28094 1 61 . 1 . 1 4 4 U C6 C 13 135.768 0.3 . 1 . . . . . 4 U C6 . 28094 1 62 . 1 . 1 4 4 U N3 N 15 162.216 0.3 . 1 . . . . . 4 U N3 . 28094 1 63 . 1 . 1 5 5 U H1' H 1 5.327 0.03 . 1 . . . . . 5 U H1' . 28094 1 64 . 1 . 1 5 5 U H2' H 1 4.269 0.03 . 1 . . . . . 5 U H2' . 28094 1 65 . 1 . 1 5 5 U H3 H 1 11.526 0.03 . 1 . . . . . 5 U H3 . 28094 1 66 . 1 . 1 5 5 U H3' H 1 4.734 0.03 . 1 . . . . . 5 U H3' . 28094 1 67 . 1 . 1 5 5 U H4' H 1 4.473 0.03 . 1 . . . . . 5 U H4' . 28094 1 68 . 1 . 1 5 5 U H5 H 1 5.540 0.03 . 1 . . . . . 5 U H5 . 28094 1 69 . 1 . 1 5 5 U H5' H 1 4.454 0.03 . 1 . . . . . 5 U H5' . 28094 1 70 . 1 . 1 5 5 U H5'' H 1 3.948 0.03 . 1 . . . . . 5 U H5'' . 28094 1 71 . 1 . 1 5 5 U H6 H 1 7.477 0.03 . 1 . . . . . 5 U H6 . 28094 1 72 . 1 . 1 5 5 U C1' C 13 89.664 0.3 . 1 . . . . . 5 U C1' . 28094 1 73 . 1 . 1 5 5 U C2' C 13 73.422 0.3 . 1 . . . . . 5 U C2' . 28094 1 74 . 1 . 1 5 5 U C3' C 13 72.768 0.3 . 1 . . . . . 5 U C3' . 28094 1 75 . 1 . 1 5 5 U C4' C 13 80.064 0.3 . 1 . . . . . 5 U C4' . 28094 1 76 . 1 . 1 5 5 U C5 C 13 101.129 0.3 . 1 . . . . . 5 U C5 . 28094 1 77 . 1 . 1 5 5 U C5' C 13 61.780 0.3 . 1 . . . . . 5 U C5' . 28094 1 78 . 1 . 1 5 5 U C6 C 13 136.321 0.3 . 1 . . . . . 5 U C6 . 28094 1 79 . 1 . 1 5 5 U N3 N 15 158.503 0.3 . 1 . . . . . 5 U N3 . 28094 1 80 . 1 . 1 6 6 G H1 H 1 10.833 0.03 . 1 . . . . . 6 G H1 . 28094 1 81 . 1 . 1 6 6 G H1' H 1 5.604 0.03 . 1 . . . . . 6 G H1' . 28094 1 82 . 1 . 1 6 6 G H2' H 1 4.242 0.03 . 1 . . . . . 6 G H2' . 28094 1 83 . 1 . 1 6 6 G H3' H 1 4.176 0.03 . 1 . . . . . 6 G H3' . 28094 1 84 . 1 . 1 6 6 G H4' H 1 4.508 0.03 . 1 . . . . . 6 G H4' . 28094 1 85 . 1 . 1 6 6 G H5' H 1 4.531 0.03 . 1 . . . . . 6 G H5' . 28094 1 86 . 1 . 1 6 6 G H5'' H 1 4.156 0.03 . 1 . . . . . 6 G H5'' . 28094 1 87 . 1 . 1 6 6 G H8 H 1 7.963 0.03 . 1 . . . . . 6 G H8 . 28094 1 88 . 1 . 1 6 6 G C1' C 13 88.552 0.3 . 1 . . . . . 6 G C1' . 28094 1 89 . 1 . 1 6 6 G C2' C 13 73.453 0.3 . 1 . . . . . 6 G C2' . 28094 1 90 . 1 . 1 6 6 G C3' C 13 72.622 0.3 . 1 . . . . . 6 G C3' . 28094 1 91 . 1 . 1 6 6 G C4' C 13 80.527 0.3 . 1 . . . . . 6 G C4' . 28094 1 92 . 1 . 1 6 6 G C5' C 13 61.780 0.3 . 1 . . . . . 6 G C5' . 28094 1 93 . 1 . 1 6 6 G C8 C 13 137.696 0.3 . 1 . . . . . 6 G C8 . 28094 1 94 . 1 . 1 6 6 G N1 N 15 143.331 0.3 . 1 . . . . . 6 G N1 . 28094 1 95 . 1 . 1 7 7 U H1' H 1 5.259 0.03 . 1 . . . . . 7 U H1' . 28094 1 96 . 1 . 1 7 7 U H2' H 1 4.068 0.03 . 1 . . . . . 7 U H2' . 28094 1 97 . 1 . 1 7 7 U H3 H 1 14.034 0.03 . 1 . . . . . 7 U H3 . 28094 1 98 . 1 . 1 7 7 U H3' H 1 4.352 0.03 . 1 . . . . . 7 U H3' . 28094 1 99 . 1 . 1 7 7 U H4' H 1 4.407 0.03 . 1 . . . . . 7 U H4' . 28094 1 100 . 1 . 1 7 7 U H5 H 1 5.072 0.03 . 1 . . . . . 7 U H5 . 28094 1 101 . 1 . 1 7 7 U H5' H 1 4.464 0.03 . 1 . . . . . 7 U H5' . 28094 1 102 . 1 . 1 7 7 U H5'' H 1 4.006 0.03 . 1 . . . . . 7 U H5'' . 28094 1 103 . 1 . 1 7 7 U H6 H 1 7.434 0.03 . 1 . . . . . 7 U H6 . 28094 1 104 . 1 . 1 7 7 U C1' C 13 91.307 0.3 . 1 . . . . . 7 U C1' . 28094 1 105 . 1 . 1 7 7 U C2' C 13 73.012 0.3 . 1 . . . . . 7 U C2' . 28094 1 106 . 1 . 1 7 7 U C3' C 13 72.355 0.3 . 1 . . . . . 7 U C3' . 28094 1 107 . 1 . 1 7 7 U C4' C 13 80.688 0.3 . 1 . . . . . 7 U C4' . 28094 1 108 . 1 . 1 7 7 U C5 C 13 100.015 0.3 . 1 . . . . . 7 U C5 . 28094 1 109 . 1 . 1 7 7 U C5' C 13 61.808 0.3 . 1 . . . . . 7 U C5' . 28094 1 110 . 1 . 1 7 7 U C6 C 13 138.209 0.3 . 1 . . . . . 7 U C6 . 28094 1 111 . 1 . 1 7 7 U N3 N 15 162.396 0.3 . 1 . . . . . 7 U N3 . 28094 1 112 . 1 . 1 8 8 U H1' H 1 5.350 0.03 . 1 . . . . . 8 U H1' . 28094 1 113 . 1 . 1 8 8 U H2' H 1 4.584 0.03 . 1 . . . . . 8 U H2' . 28094 1 114 . 1 . 1 8 8 U H3 H 1 13.353 0.03 . 1 . . . . . 8 U H3 . 28094 1 115 . 1 . 1 8 8 U H3' H 1 4.851 0.03 . 1 . . . . . 8 U H3' . 28094 1 116 . 1 . 1 8 8 U H4' H 1 4.379 0.03 . 1 . . . . . 8 U H4' . 28094 1 117 . 1 . 1 8 8 U H5 H 1 5.779 0.03 . 1 . . . . . 8 U H5 . 28094 1 118 . 1 . 1 8 8 U H5' H 1 4.583 0.03 . 1 . . . . . 8 U H5' . 28094 1 119 . 1 . 1 8 8 U H5'' H 1 4.118 0.03 . 1 . . . . . 8 U H5'' . 28094 1 120 . 1 . 1 8 8 U H6 H 1 7.794 0.03 . 1 . . . . . 8 U H6 . 28094 1 121 . 1 . 1 8 8 U C1' C 13 91.254 0.3 . 1 . . . . . 8 U C1' . 28094 1 122 . 1 . 1 8 8 U C2' C 13 72.468 0.3 . 1 . . . . . 8 U C2' . 28094 1 123 . 1 . 1 8 8 U C3' C 13 72.731 0.3 . 1 . . . . . 8 U C3' . 28094 1 124 . 1 . 1 8 8 U C4' C 13 80.930 0.3 . 1 . . . . . 8 U C4' . 28094 1 125 . 1 . 1 8 8 U C5 C 13 101.527 0.03 . 1 . . . . . 8 U C5 . 28094 1 126 . 1 . 1 8 8 U C5' C 13 61.811 0.3 . 1 . . . . . 8 U C5' . 28094 1 127 . 1 . 1 8 8 U C6 C 13 137.234 0.3 . 1 . . . . . 8 U C6 . 28094 1 128 . 1 . 1 8 8 U N3 N 15 162.410 0.3 . 1 . . . . . 8 U N3 . 28094 1 129 . 1 . 1 9 9 U H1' H 1 5.418 0.03 . 1 . . . . . 9 U H1' . 28094 1 130 . 1 . 1 9 9 U H2' H 1 3.949 0.03 . 1 . . . . . 9 U H2' . 28094 1 131 . 1 . 1 9 9 U H3 H 1 12.784 0.03 . 1 . . . . . 9 U H3 . 28094 1 132 . 1 . 1 9 9 U H3' H 1 4.792 0.03 . 1 . . . . . 9 U H3' . 28094 1 133 . 1 . 1 9 9 U H4' H 1 4.427 0.03 . 1 . . . . . 9 U H4' . 28094 1 134 . 1 . 1 9 9 U H5 H 1 5.139 0.03 . 1 . . . . . 9 U H5 . 28094 1 135 . 1 . 1 9 9 U H5' H 1 4.074 0.03 . 1 . . . . . 9 U H5' . 28094 1 136 . 1 . 1 9 9 U H5'' H 1 4.032 0.03 . 1 . . . . . 9 U H5'' . 28094 1 137 . 1 . 1 9 9 U H6 H 1 7.464 0.03 . 1 . . . . . 9 U H6 . 28094 1 138 . 1 . 1 9 9 U C1' C 13 91.054 0.3 . 1 . . . . . 9 U C1' . 28094 1 139 . 1 . 1 9 9 U C2' C 13 74.833 0.3 . 1 . . . . . 9 U C2' . 28094 1 140 . 1 . 1 9 9 U C3' C 13 70.348 0.3 . 1 . . . . . 9 U C3' . 28094 1 141 . 1 . 1 9 9 U C4' C 13 81.329 0.3 . 1 . . . . . 9 U C4' . 28094 1 142 . 1 . 1 9 9 U C5 C 13 100.996 0.3 . 1 . . . . . 9 U C5 . 28094 1 143 . 1 . 1 9 9 U C5' C 13 61.866 0.3 . 1 . . . . . 9 U C5' . 28094 1 144 . 1 . 1 9 9 U C6 C 13 141.204 0.3 . 1 . . . . . 9 U C6 . 28094 1 145 . 1 . 1 9 9 U N3 N 15 160.793 0.3 . 1 . . . . . 9 U N3 . 28094 1 146 . 1 . 1 10 10 G H1' H 1 5.428 0.03 . 1 . . . . . 10 G H1' . 28094 1 147 . 1 . 1 10 10 G H2' H 1 4.522 0.03 . 1 . . . . . 10 G H2' . 28094 1 148 . 1 . 1 10 10 G H3' H 1 4.373 0.03 . 1 . . . . . 10 G H3' . 28094 1 149 . 1 . 1 10 10 G H4' H 1 4.201 0.03 . 1 . . . . . 10 G H4' . 28094 1 150 . 1 . 1 10 10 G H5' H 1 4.562 0.03 . 1 . . . . . 10 G H5' . 28094 1 151 . 1 . 1 10 10 G H5'' H 1 3.968 0.03 . 1 . . . . . 10 G H5'' . 28094 1 152 . 1 . 1 10 10 G H8 H 1 8.119 0.03 . 1 . . . . . 10 G H8 . 28094 1 153 . 1 . 1 10 10 G C1' C 13 89.856 0.3 . 1 . . . . . 10 G C1' . 28094 1 154 . 1 . 1 10 10 G C2' C 13 72.649 0.3 . 1 . . . . . 10 G C2' . 28094 1 155 . 1 . 1 10 10 G C3' C 13 71.100 0.3 . 1 . . . . . 10 G C3' . 28094 1 156 . 1 . 1 10 10 G C4' C 13 81.372 0.3 . 1 . . . . . 10 G C4' . 28094 1 157 . 1 . 1 10 10 G C5' C 13 61.819 0.3 . 1 . . . . . 10 G C5' . 28094 1 158 . 1 . 1 10 10 G C8 C 13 139.183 0.3 . 1 . . . . . 10 G C8 . 28094 1 159 . 1 . 1 11 11 A H1' H 1 5.521 0.03 . 1 . . . . . 11 A H1' . 28094 1 160 . 1 . 1 11 11 A H2 H 1 7.195 0.03 . 1 . . . . . 11 A H2 . 28094 1 161 . 1 . 1 11 11 A H2' H 1 4.598 0.03 . 1 . . . . . 11 A H2' . 28094 1 162 . 1 . 1 11 11 A H8 H 1 8.113 0.03 . 1 . . . . . 11 A H8 . 28094 1 163 . 1 . 1 11 11 A C1' C 13 89.852 0.3 . 1 . . . . . 11 A C1' . 28094 1 164 . 1 . 1 11 11 A C2 C 13 150.324 0.3 . 1 . . . . . 11 A C2 . 28094 1 165 . 1 . 1 11 11 A C2' C 13 72.881 0.3 . 1 . . . . . 11 A C2' . 28094 1 166 . 1 . 1 11 11 A C8 C 13 138.834 0.3 . 1 . . . . . 11 A C8 . 28094 1 167 . 1 . 1 12 12 A H1' H 1 5.579 0.03 . 1 . . . . . 12 A H1' . 28094 1 168 . 1 . 1 12 12 A H2 H 1 8.217 0.03 . 1 . . . . . 12 A H2 . 28094 1 169 . 1 . 1 12 12 A H2' H 1 4.564 0.03 . 1 . . . . . 12 A H2' . 28094 1 170 . 1 . 1 12 12 A H3' H 1 4.544 0.03 . 1 . . . . . 12 A H3' . 28094 1 171 . 1 . 1 12 12 A H4' H 1 4.108 0.03 . 1 . . . . . 12 A H4' . 28094 1 172 . 1 . 1 12 12 A H5' H 1 4.447 0.03 . 1 . . . . . 12 A H5' . 28094 1 173 . 1 . 1 12 12 A H5'' H 1 4.051 0.03 . 1 . . . . . 12 A H5'' . 28094 1 174 . 1 . 1 12 12 A H8 H 1 7.789 0.03 . 1 . . . . . 12 A H8 . 28094 1 175 . 1 . 1 12 12 A C1' C 13 89.492 0.3 . 1 . . . . . 12 A C1' . 28094 1 176 . 1 . 1 12 12 A C2 C 13 152.825 0.3 . 1 . . . . . 12 A C2 . 28094 1 177 . 1 . 1 12 12 A C2' C 13 72.742 0.3 . 1 . . . . . 12 A C2' . 28094 1 178 . 1 . 1 12 12 A C3' C 13 72.083 0.3 . 1 . . . . . 12 A C3' . 28094 1 179 . 1 . 1 12 12 A C4' C 13 80.646 0.3 . 1 . . . . . 12 A C4' . 28094 1 180 . 1 . 1 12 12 A C5' C 13 61.866 0.3 . 1 . . . . . 12 A C5' . 28094 1 181 . 1 . 1 12 12 A C8 C 13 139.193 0.3 . 1 . . . . . 12 A C8 . 28094 1 182 . 1 . 1 13 13 U H1' H 1 5.581 0.03 . 1 . . . . . 13 U H1' . 28094 1 183 . 1 . 1 13 13 U H2' H 1 4.486 0.03 . 1 . . . . . 13 U H2' . 28094 1 184 . 1 . 1 13 13 U H3 H 1 9.890 0.03 . 1 . . . . . 13 U H3 . 28094 1 185 . 1 . 1 13 13 U H3' H 1 4.355 0.03 . 1 . . . . . 13 U H3' . 28094 1 186 . 1 . 1 13 13 U H4' H 1 4.227 0.03 . 1 . . . . . 13 U H4' . 28094 1 187 . 1 . 1 13 13 U H5 H 1 5.773 0.03 . 1 . . . . . 13 U H5 . 28094 1 188 . 1 . 1 13 13 U H5' H 1 4.465 0.03 . 1 . . . . . 13 U H5' . 28094 1 189 . 1 . 1 13 13 U H5'' H 1 4.030 0.03 . 1 . . . . . 13 U H5'' . 28094 1 190 . 1 . 1 13 13 U H6 H 1 7.832 0.03 . 1 . . . . . 13 U H6 . 28094 1 191 . 1 . 1 13 13 U C1' C 13 89.912 0.3 . 1 . . . . . 13 U C1' . 28094 1 192 . 1 . 1 13 13 U C2' C 13 69.512 0.3 . 1 . . . . . 13 U C2' . 28094 1 193 . 1 . 1 13 13 U C3' C 13 69.444 0.3 . 1 . . . . . 13 U C3' . 28094 1 194 . 1 . 1 13 13 U C4' C 13 80.815 0.3 . 1 . . . . . 13 U C4' . 28094 1 195 . 1 . 1 13 13 U C5 C 13 102.492 0.3 . 1 . . . . . 13 U C5 . 28094 1 196 . 1 . 1 13 13 U C5' C 13 61.967 0.3 . 1 . . . . . 13 U C5' . 28094 1 197 . 1 . 1 13 13 U C6 C 13 139.551 0.3 . 1 . . . . . 13 U C6 . 28094 1 198 . 1 . 1 13 13 U N3 N 15 162.672 0.3 . 1 . . . . . 13 U N3 . 28094 1 199 . 1 . 1 14 14 A H1' H 1 5.613 0.03 . 1 . . . . . 14 A H1' . 28094 1 200 . 1 . 1 14 14 A H2 H 1 7.077 0.03 . 1 . . . . . 14 A H2 . 28094 1 201 . 1 . 1 14 14 A H2' H 1 4.552 0.03 . 1 . . . . . 14 A H2' . 28094 1 202 . 1 . 1 14 14 A H3' H 1 4.302 0.03 . 1 . . . . . 14 A H3' . 28094 1 203 . 1 . 1 14 14 A H4' H 1 4.412 0.03 . 1 . . . . . 14 A H4' . 28094 1 204 . 1 . 1 14 14 A H5' H 1 4.393 0.03 . 1 . . . . . 14 A H5' . 28094 1 205 . 1 . 1 14 14 A H5'' H 1 4.425 0.03 . 1 . . . . . 14 A H5'' . 28094 1 206 . 1 . 1 14 14 A H8 H 1 7.062 0.03 . 1 . . . . . 14 A H8 . 28094 1 207 . 1 . 1 14 14 A C1' C 13 90.200 0.3 . 1 . . . . . 14 A C1' . 28094 1 208 . 1 . 1 14 14 A C2 C 13 150.050 0.3 . 1 . . . . . 14 A C2 . 28094 1 209 . 1 . 1 14 14 A C2' C 13 71.104 0.3 . 1 . . . . . 14 A C2' . 28094 1 210 . 1 . 1 14 14 A C3' C 13 69.485 0.3 . 1 . . . . . 14 A C3' . 28094 1 211 . 1 . 1 14 14 A C4' C 13 81.797 0.3 . 1 . . . . . 14 A C4' . 28094 1 212 . 1 . 1 14 14 A C5' C 13 62.264 0.3 . 1 . . . . . 14 A C5' . 28094 1 213 . 1 . 1 14 14 A C8 C 13 133.253 0.3 . 1 . . . . . 14 A C8 . 28094 1 214 . 1 . 1 15 15 G H1 H 1 12.063 0.03 . 1 . . . . . 15 G H1 . 28094 1 215 . 1 . 1 15 15 G H1' H 1 5.886 0.03 . 1 . . . . . 15 G H1' . 28094 1 216 . 1 . 1 15 15 G H2' H 1 4.518 0.03 . 1 . . . . . 15 G H2' . 28094 1 217 . 1 . 1 15 15 G H3' H 1 4.438 0.03 . 1 . . . . . 15 G H3' . 28094 1 218 . 1 . 1 15 15 G H4' H 1 4.464 0.03 . 1 . . . . . 15 G H4' . 28094 1 219 . 1 . 1 15 15 G H5' H 1 4.409 0.03 . 1 . . . . . 15 G H5' . 28094 1 220 . 1 . 1 15 15 G H5'' H 1 4.116 0.03 . 1 . . . . . 15 G H5'' . 28094 1 221 . 1 . 1 15 15 G H8 H 1 6.970 0.03 . 1 . . . . . 15 G H8 . 28094 1 222 . 1 . 1 15 15 G C1' C 13 90.105 0.3 . 1 . . . . . 15 G C1' . 28094 1 223 . 1 . 1 15 15 G C2' C 13 69.902 0.3 . 1 . . . . . 15 G C2' . 28094 1 224 . 1 . 1 15 15 G C3' C 13 69.738 0.3 . 1 . . . . . 15 G C3' . 28094 1 225 . 1 . 1 15 15 G C4' C 13 82.401 0.3 . 1 . . . . . 15 G C4' . 28094 1 226 . 1 . 1 15 15 G C5' C 13 62.287 0.3 . 1 . . . . . 15 G C5' . 28094 1 227 . 1 . 1 15 15 G C8 C 13 133.138 0.3 . 1 . . . . . 15 G C8 . 28094 1 228 . 1 . 1 15 15 G N1 N 15 146.435 0.3 . 1 . . . . . 15 G N1 . 28094 1 229 . 1 . 1 16 16 A H1' H 1 5.889 0.03 . 1 . . . . . 16 A H1' . 28094 1 230 . 1 . 1 16 16 A H2 H 1 7.280 0.03 . 1 . . . . . 16 A H2 . 28094 1 231 . 1 . 1 16 16 A H2' H 1 4.236 0.03 . 1 . . . . . 16 A H2' . 28094 1 232 . 1 . 1 16 16 A H3' H 1 4.350 0.03 . 1 . . . . . 16 A H3' . 28094 1 233 . 1 . 1 16 16 A H4' H 1 4.514 0.03 . 1 . . . . . 16 A H4' . 28094 1 234 . 1 . 1 16 16 A H5' H 1 4.310 0.03 . 1 . . . . . 16 A H5' . 28094 1 235 . 1 . 1 16 16 A H5'' H 1 4.310 0.03 . 1 . . . . . 16 A H5'' . 28094 1 236 . 1 . 1 16 16 A H8 H 1 7.520 0.03 . 1 . . . . . 16 A H8 . 28094 1 237 . 1 . 1 16 16 A C1' C 13 90.401 0.3 . 1 . . . . . 16 A C1' . 28094 1 238 . 1 . 1 16 16 A C2 C 13 150.468 0.3 . 1 . . . . . 16 A C2 . 28094 1 239 . 1 . 1 16 16 A C2' C 13 69.449 0.3 . 1 . . . . . 16 A C2' . 28094 1 240 . 1 . 1 16 16 A C3' C 13 69.950 0.3 . 1 . . . . . 16 A C3' . 28094 1 241 . 1 . 1 16 16 A C4' C 13 82.773 0.3 . 1 . . . . . 16 A C4' . 28094 1 242 . 1 . 1 16 16 A C5' C 13 62.367 0.3 . 1 . . . . . 16 A C5' . 28094 1 243 . 1 . 1 16 16 A C8 C 13 134.322 0.3 . 1 . . . . . 16 A C8 . 28094 1 244 . 1 . 1 17 17 G H1 H 1 12.201 0.03 . 1 . . . . . 17 G H1 . 28094 1 245 . 1 . 1 17 17 G H1' H 1 5.837 0.03 . 1 . . . . . 17 G H1' . 28094 1 246 . 1 . 1 17 17 G H2' H 1 4.417 0.03 . 1 . . . . . 17 G H2' . 28094 1 247 . 1 . 1 17 17 G H3' H 1 4.406 0.03 . 1 . . . . . 17 G H3' . 28094 1 248 . 1 . 1 17 17 G H4' H 1 4.260 0.03 . 1 . . . . . 17 G H4' . 28094 1 249 . 1 . 1 17 17 G H5' H 1 4.273 0.03 . 1 . . . . . 17 G H5' . 28094 1 250 . 1 . 1 17 17 G H5'' H 1 4.147 0.03 . 1 . . . . . 17 G H5'' . 28094 1 251 . 1 . 1 17 17 G H8 H 1 7.583 0.03 . 1 . . . . . 17 G H8 . 28094 1 252 . 1 . 1 17 17 G C1' C 13 90.120 0.3 . 1 . . . . . 17 G C1' . 28094 1 253 . 1 . 1 17 17 G C2' C 13 73.390 0.3 . 1 . . . . . 17 G C2' . 28094 1 254 . 1 . 1 17 17 G C3' C 13 70.589 0.3 . 1 . . . . . 17 G C3' . 28094 1 255 . 1 . 1 17 17 G C4' C 13 83.578 0.3 . 1 . . . . . 17 G C4' . 28094 1 256 . 1 . 1 17 17 G C5' C 13 62.482 0.3 . 1 . . . . . 17 G C5' . 28094 1 257 . 1 . 1 17 17 G C8 C 13 133.993 0.3 . 1 . . . . . 17 G C8 . 28094 1 258 . 1 . 1 17 17 G N1 N 15 146.603 0.3 . 1 . . . . . 17 G N1 . 28094 1 259 . 1 . 1 18 18 A H1' H 1 5.845 0.03 . 1 . . . . . 18 A H1' . 28094 1 260 . 1 . 1 18 18 A H2 H 1 7.637 0.03 . 1 . . . . . 18 A H2 . 28094 1 261 . 1 . 1 18 18 A H2' H 1 4.489 0.03 . 1 . . . . . 18 A H2' . 28094 1 262 . 1 . 1 18 18 A H3' H 1 4.245 0.03 . 1 . . . . . 18 A H3' . 28094 1 263 . 1 . 1 18 18 A H4' H 1 4.442 0.03 . 1 . . . . . 18 A H4' . 28094 1 264 . 1 . 1 18 18 A H5' H 1 4.409 0.03 . 1 . . . . . 18 A H5' . 28094 1 265 . 1 . 1 18 18 A H5'' H 1 4.116 0.03 . 1 . . . . . 18 A H5'' . 28094 1 266 . 1 . 1 18 18 A H8 H 1 7.253 0.03 . 1 . . . . . 18 A H8 . 28094 1 267 . 1 . 1 18 18 A C1' C 13 90.503 0.3 . 1 . . . . . 18 A C1' . 28094 1 268 . 1 . 1 18 18 A C2 C 13 150.788 0.3 . 1 . . . . . 18 A C2 . 28094 1 269 . 1 . 1 18 18 A C2' C 13 70.511 0.3 . 1 . . . . . 18 A C2' . 28094 1 270 . 1 . 1 18 18 A C3' C 13 71.000 0.3 . 1 . . . . . 18 A C3' . 28094 1 271 . 1 . 1 18 18 A C4' C 13 79.576 0.3 . 1 . . . . . 18 A C4' . 28094 1 272 . 1 . 1 18 18 A C5' C 13 62.514 0.3 . 1 . . . . . 18 A C5' . 28094 1 273 . 1 . 1 18 18 A C8 C 13 134.027 0.3 . 1 . . . . . 18 A C8 . 28094 1 274 . 1 . 1 19 19 G H1 H 1 10.077 0.03 . 1 . . . . . 19 G H1 . 28094 1 275 . 1 . 1 19 19 G H1' H 1 5.786 0.03 . 1 . . . . . 19 G H1' . 28094 1 276 . 1 . 1 19 19 G H2' H 1 4.410 0.03 . 1 . . . . . 19 G H2' . 28094 1 277 . 1 . 1 19 19 G H3' H 1 4.192 0.03 . 1 . . . . . 19 G H3' . 28094 1 278 . 1 . 1 19 19 G H4' H 1 4.383 0.03 . 1 . . . . . 19 G H4' . 28094 1 279 . 1 . 1 19 19 G H5' H 1 4.273 0.03 . 1 . . . . . 19 G H5' . 28094 1 280 . 1 . 1 19 19 G H5'' H 1 4.273 0.03 . 1 . . . . . 19 G H5'' . 28094 1 281 . 1 . 1 19 19 G H8 H 1 7.405 0.03 . 1 . . . . . 19 G H8 . 28094 1 282 . 1 . 1 19 19 G C1' C 13 90.386 0.3 . 1 . . . . . 19 G C1' . 28094 1 283 . 1 . 1 19 19 G C2' C 13 72.227 0.3 . 1 . . . . . 19 G C2' . 28094 1 284 . 1 . 1 19 19 G C3' C 13 72.420 0.3 . 1 . . . . . 19 G C3' . 28094 1 285 . 1 . 1 19 19 G C4' C 13 79.416 0.3 . 1 . . . . . 19 G C4' . 28094 1 286 . 1 . 1 19 19 G C5' C 13 62.553 0.3 . 1 . . . . . 19 G C5' . 28094 1 287 . 1 . 1 19 19 G C8 C 13 138.178 0.3 . 1 . . . . . 19 G C8 . 28094 1 288 . 1 . 1 19 19 G N1 N 15 145.454 0.3 . 1 . . . . . 19 G N1 . 28094 1 289 . 1 . 1 20 20 C H1' H 1 5.719 0.03 . 1 . . . . . 20 C H1' . 28094 1 290 . 1 . 1 20 20 C H2' H 1 4.456 0.03 . 1 . . . . . 20 C H2' . 28094 1 291 . 1 . 1 20 20 C H3' H 1 4.086 0.03 . 1 . . . . . 20 C H3' . 28094 1 292 . 1 . 1 20 20 C H4' H 1 4.384 0.03 . 1 . . . . . 20 C H4' . 28094 1 293 . 1 . 1 20 20 C H5 H 1 5.504 0.03 . 1 . . . . . 20 C H5 . 28094 1 294 . 1 . 1 20 20 C H5' H 1 4.353 0.03 . 1 . . . . . 20 C H5' . 28094 1 295 . 1 . 1 20 20 C H5'' H 1 3.974 0.03 . 1 . . . . . 20 C H5'' . 28094 1 296 . 1 . 1 20 20 C H6 H 1 7.764 0.03 . 1 . . . . . 20 C H6 . 28094 1 297 . 1 . 1 20 20 C C1' C 13 90.105 0.3 . 1 . . . . . 20 C C1' . 28094 1 298 . 1 . 1 20 20 C C2' C 13 72.758 0.3 . 1 . . . . . 20 C C2' . 28094 1 299 . 1 . 1 20 20 C C3' C 13 74.750 0.3 . 1 . . . . . 20 C C3' . 28094 1 300 . 1 . 1 20 20 C C4' C 13 79.249 0.3 . 1 . . . . . 20 C C4' . 28094 1 301 . 1 . 1 20 20 C C5 C 13 94.564 0.3 . 1 . . . . . 20 C C5 . 28094 1 302 . 1 . 1 20 20 C C5' C 13 62.834 0.3 . 1 . . . . . 20 C C5' . 28094 1 303 . 1 . 1 20 20 C C6 C 13 139.957 0.3 . 1 . . . . . 20 C C6 . 28094 1 304 . 1 . 1 21 21 A H1' H 1 5.659 0.03 . 1 . . . . . 21 A H1' . 28094 1 305 . 1 . 1 21 21 A H2 H 1 7.464 0.03 . 1 . . . . . 21 A H2 . 28094 1 306 . 1 . 1 21 21 A H2' H 1 4.485 0.03 . 1 . . . . . 21 A H2' . 28094 1 307 . 1 . 1 21 21 A H8 H 1 7.512 0.03 . 1 . . . . . 21 A H8 . 28094 1 308 . 1 . 1 21 21 A C1' C 13 90.768 0.3 . 1 . . . . . 21 A C1' . 28094 1 309 . 1 . 1 21 21 A C2 C 13 150.545 0.3 . 1 . . . . . 21 A C2 . 28094 1 310 . 1 . 1 21 21 A C2' C 13 72.742 0.3 . 1 . . . . . 21 A C2' . 28094 1 311 . 1 . 1 21 21 A C8 C 13 136.297 0.3 . 1 . . . . . 21 A C8 . 28094 1 312 . 1 . 1 22 22 G H1' H 1 5.617 0.03 . 1 . . . . . 22 G H1' . 28094 1 313 . 1 . 1 22 22 G H2' H 1 4.430 0.03 . 1 . . . . . 22 G H2' . 28094 1 314 . 1 . 1 22 22 G H8 H 1 7.306 0.03 . 1 . . . . . 22 G H8 . 28094 1 315 . 1 . 1 22 22 G C1' C 13 90.706 0.3 . 1 . . . . . 22 G C1' . 28094 1 316 . 1 . 1 22 22 G C2' C 13 72.797 0.3 . 1 . . . . . 22 G C2' . 28094 1 317 . 1 . 1 22 22 G C8 C 13 136.268 0.3 . 1 . . . . . 22 G C8 . 28094 1 318 . 1 . 1 23 23 A H1' H 1 5.558 0.03 . 1 . . . . . 23 A H1' . 28094 1 319 . 1 . 1 23 23 A H2 H 1 7.957 0.03 . 1 . . . . . 23 A H2 . 28094 1 320 . 1 . 1 23 23 A H2' H 1 4.669 0.03 . 1 . . . . . 23 A H2' . 28094 1 321 . 1 . 1 23 23 A H3' H 1 4.111 0.03 . 1 . . . . . 23 A H3' . 28094 1 322 . 1 . 1 23 23 A H4' H 1 4.347 0.03 . 1 . . . . . 23 A H4' . 28094 1 323 . 1 . 1 23 23 A H5' H 1 4.197 0.03 . 1 . . . . . 23 A H5' . 28094 1 324 . 1 . 1 23 23 A H5'' H 1 4.135 0.03 . 1 . . . . . 23 A H5'' . 28094 1 325 . 1 . 1 23 23 A H8 H 1 7.377 0.03 . 1 . . . . . 23 A H8 . 28094 1 326 . 1 . 1 23 23 A C1' C 13 91.080 0.3 . 1 . . . . . 23 A C1' . 28094 1 327 . 1 . 1 23 23 A C2' C 13 71.933 0.3 . 1 . . . . . 23 A C2' . 28094 1 328 . 1 . 1 23 23 A C3' C 13 73.374 0.3 . 1 . . . . . 23 A C3' . 28094 1 329 . 1 . 1 23 23 A C4' C 13 80.304 0.3 . 1 . . . . . 23 A C4' . 28094 1 330 . 1 . 1 23 23 A C5' C 13 62.987 0.3 . 1 . . . . . 23 A C5' . 28094 1 331 . 1 . 1 23 23 A C8 C 13 136.078 0.3 . 1 . . . . . 23 A C8 . 28094 1 332 . 1 . 1 24 24 U H1' H 1 5.524 0.03 . 1 . . . . . 24 U H1' . 28094 1 333 . 1 . 1 24 24 U H2' H 1 4.559 0.03 . 1 . . . . . 24 U H2' . 28094 1 334 . 1 . 1 24 24 U H3 H 1 13.996 0.03 . 1 . . . . . 24 U H3 . 28094 1 335 . 1 . 1 24 24 U H3' H 1 4.108 0.03 . 1 . . . . . 24 U H3' . 28094 1 336 . 1 . 1 24 24 U H4' H 1 4.629 0.03 . 1 . . . . . 24 U H4' . 28094 1 337 . 1 . 1 24 24 U H5 H 1 5.726 0.03 . 1 . . . . . 24 U H5 . 28094 1 338 . 1 . 1 24 24 U H5' H 1 4.075 0.03 . 1 . . . . . 24 U H5' . 28094 1 339 . 1 . 1 24 24 U H5'' H 1 3.891 0.03 . 1 . . . . . 24 U H5'' . 28094 1 340 . 1 . 1 24 24 U H6 H 1 7.846 0.03 . 1 . . . . . 24 U H6 . 28094 1 341 . 1 . 1 24 24 U C1' C 13 90.877 0.3 . 1 . . . . . 24 U C1' . 28094 1 342 . 1 . 1 24 24 U C2' C 13 72.964 0.3 . 1 . . . . . 24 U C2' . 28094 1 343 . 1 . 1 24 24 U C3' C 13 73.023 0.3 . 1 . . . . . 24 U C3' . 28094 1 344 . 1 . 1 24 24 U C4' C 13 79.317 0.3 . 1 . . . . . 24 U C4' . 28094 1 345 . 1 . 1 24 24 U C5 C 13 102.376 0.03 . 1 . . . . . 24 U C5 . 28094 1 346 . 1 . 1 24 24 U C5' C 13 63.120 0.3 . 1 . . . . . 24 U C5' . 28094 1 347 . 1 . 1 24 24 U C6 C 13 139.302 0.03 . 1 . . . . . 24 U C6 . 28094 1 348 . 1 . 1 24 24 U N3 N 15 163.064 0.3 . 1 . . . . . 24 U N3 . 28094 1 349 . 1 . 1 25 25 C H1' H 1 5.484 0.03 . 1 . . . . . 25 C H1' . 28094 1 350 . 1 . 1 25 25 C H2' H 1 4.685 0.03 . 1 . . . . . 25 C H2' . 28094 1 351 . 1 . 1 25 25 C H3' H 1 4.040 0.03 . 1 . . . . . 25 C H3' . 28094 1 352 . 1 . 1 25 25 C H4' H 1 4.314 0.03 . 1 . . . . . 25 C H4' . 28094 1 353 . 1 . 1 25 25 C H5 H 1 5.389 0.03 . 1 . . . . . 25 C H5 . 28094 1 354 . 1 . 1 25 25 C H5' H 1 4.396 0.03 . 1 . . . . . 25 C H5' . 28094 1 355 . 1 . 1 25 25 C H5'' H 1 4.192 0.03 . 1 . . . . . 25 C H5'' . 28094 1 356 . 1 . 1 25 25 C H6 H 1 7.583 0.03 . 1 . . . . . 25 C H6 . 28094 1 357 . 1 . 1 25 25 C H41 H 1 8.224 0.03 . 1 . . . . . 25 C H41 . 28094 1 358 . 1 . 1 25 25 C H42 H 1 6.799 0.03 . 1 . . . . . 25 C H42 . 28094 1 359 . 1 . 1 25 25 C C1' C 13 90.690 0.3 . 1 . . . . . 25 C C1' . 28094 1 360 . 1 . 1 25 25 C C2' C 13 73.046 0.3 . 1 . . . . . 25 C C2' . 28094 1 361 . 1 . 1 25 25 C C3' C 13 73.663 0.3 . 1 . . . . . 25 C C3' . 28094 1 362 . 1 . 1 25 25 C C4' C 13 79.313 0.3 . 1 . . . . . 25 C C4' . 28094 1 363 . 1 . 1 25 25 C C5 C 13 95.438 0.3 . 1 . . . . . 25 C C5 . 28094 1 364 . 1 . 1 25 25 C C5' C 13 63.146 0.3 . 1 . . . . . 25 C C5' . 28094 1 365 . 1 . 1 25 25 C C6 C 13 139.126 0.3 . 1 . . . . . 25 C C6 . 28094 1 366 . 1 . 1 26 26 U H1' H 1 5.530 0.03 . 1 . . . . . 26 U H1' . 28094 1 367 . 1 . 1 26 26 U H2' H 1 4.669 0.03 . 1 . . . . . 26 U H2' . 28094 1 368 . 1 . 1 26 26 U H3 H 1 13.796 0.03 . 1 . . . . . 26 U H3 . 28094 1 369 . 1 . 1 26 26 U H3' H 1 4.496 0.03 . 1 . . . . . 26 U H3' . 28094 1 370 . 1 . 1 26 26 U H4' H 1 4.441 0.03 . 1 . . . . . 26 U H4' . 28094 1 371 . 1 . 1 26 26 U H5 H 1 5.243 0.03 . 1 . . . . . 26 U H5 . 28094 1 372 . 1 . 1 26 26 U H5' H 1 4.413 0.03 . 1 . . . . . 26 U H5' . 28094 1 373 . 1 . 1 26 26 U H5'' H 1 4.033 0.03 . 1 . . . . . 26 U H5'' . 28094 1 374 . 1 . 1 26 26 U H6 H 1 7.346 0.03 . 1 . . . . . 26 U H6 . 28094 1 375 . 1 . 1 26 26 U C1' C 13 91.478 0.3 . 1 . . . . . 26 U C1' . 28094 1 376 . 1 . 1 26 26 U C2' C 13 73.4680 0.3 . 1 . . . . . 26 U C2' . 28094 1 377 . 1 . 1 26 26 U C3' C 13 72.992 0.3 . 1 . . . . . 26 U C3' . 28094 1 378 . 1 . 1 26 26 U C4' C 13 79.192 0.3 . 1 . . . . . 26 U C4' . 28094 1 379 . 1 . 1 26 26 U C5 C 13 101.592 0.3 . 1 . . . . . 26 U C5 . 28094 1 380 . 1 . 1 26 26 U C5' C 13 63.422 0.3 . 1 . . . . . 26 U C5' . 28094 1 381 . 1 . 1 26 26 U C6 C 13 138.537 0.3 . 1 . . . . . 26 U C6 . 28094 1 382 . 1 . 1 26 26 U N3 N 15 162.482 0.3 . 1 . . . . . 26 U N3 . 28094 1 383 . 1 . 1 27 27 C H1' H 1 5.788 0.03 . 1 . . . . . 27 C H1' . 28094 1 384 . 1 . 1 27 27 C H2' H 1 4.628 0.03 . 1 . . . . . 27 C H2' . 28094 1 385 . 1 . 1 27 27 C H3' H 1 4.245 0.03 . 1 . . . . . 27 C H3' . 28094 1 386 . 1 . 1 27 27 C H4' H 1 4.575 0.03 . 1 . . . . . 27 C H4' . 28094 1 387 . 1 . 1 27 27 C H5 H 1 5.094 0.03 . 1 . . . . . 27 C H5 . 28094 1 388 . 1 . 1 27 27 C H5' H 1 4.399 0.03 . 1 . . . . . 27 C H5' . 28094 1 389 . 1 . 1 27 27 C H5'' H 1 4.151 0.03 . 1 . . . . . 27 C H5'' . 28094 1 390 . 1 . 1 27 27 C H6 H 1 7.389 0.03 . 1 . . . . . 27 C H6 . 28094 1 391 . 1 . 1 27 27 C H41 H 1 7.960 0.03 . 1 . . . . . 27 C H41 . 28094 1 392 . 1 . 1 27 27 C H42 H 1 6.627 0.03 . 1 . . . . . 27 C H42 . 28094 1 393 . 1 . 1 27 27 C C1' C 13 88.954 0.3 . 1 . . . . . 27 C C1' . 28094 1 394 . 1 . 1 27 27 C C2' C 13 73.441 0.3 . 1 . . . . . 27 C C2' . 28094 1 395 . 1 . 1 27 27 C C3' C 13 68.318 0.3 . 1 . . . . . 27 C C3' . 28094 1 396 . 1 . 1 27 27 C C4' C 13 79.625 0.3 . 1 . . . . . 27 C C4' . 28094 1 397 . 1 . 1 27 27 C C5 C 13 94.283 0.3 . 1 . . . . . 27 C C5 . 28094 1 398 . 1 . 1 27 27 C C5' C 13 63.539 0.3 . 1 . . . . . 27 C C5' . 28094 1 399 . 1 . 1 27 27 C C6 C 13 138.003 0.3 . 1 . . . . . 27 C C6 . 28094 1 400 . 1 . 1 28 28 U H1' H 1 5.816 0.03 . 1 . . . . . 28 U H1' . 28094 1 401 . 1 . 1 28 28 U H2' H 1 4.628 0.03 . 1 . . . . . 28 U H2' . 28094 1 402 . 1 . 1 28 28 U H3 H 1 12.905 0.03 . 1 . . . . . 28 U H3 . 28094 1 403 . 1 . 1 28 28 U H3' H 1 4.171 0.03 . 1 . . . . . 28 U H3' . 28094 1 404 . 1 . 1 28 28 U H4' H 1 4.540 0.03 . 1 . . . . . 28 U H4' . 28094 1 405 . 1 . 1 28 28 U H5 H 1 5.148 0.03 . 1 . . . . . 28 U H5 . 28094 1 406 . 1 . 1 28 28 U H5' H 1 4.342 0.03 . 1 . . . . . 28 U H5' . 28094 1 407 . 1 . 1 28 28 U H5'' H 1 4.027 0.03 . 1 . . . . . 28 U H5'' . 28094 1 408 . 1 . 1 28 28 U H6 H 1 7.616 0.03 . 1 . . . . . 28 U H6 . 28094 1 409 . 1 . 1 28 28 U C1' C 13 88.475 0.3 . 1 . . . . . 28 U C1' . 28094 1 410 . 1 . 1 28 28 U C2' C 13 70.688 0.3 . 1 . . . . . 28 U C2' . 28094 1 411 . 1 . 1 28 28 U C3' C 13 71.026 0.3 . 1 . . . . . 28 U C3' . 28094 1 412 . 1 . 1 28 28 U C4' C 13 79.344 0.3 . 1 . . . . . 28 U C4' . 28094 1 413 . 1 . 1 28 28 U C5 C 13 100.371 0.3 . 1 . . . . . 28 U C5 . 28094 1 414 . 1 . 1 28 28 U C5' C 13 63.953 0.3 . 1 . . . . . 28 U C5' . 28094 1 415 . 1 . 1 28 28 U C6 C 13 135.000 0.3 . 1 . . . . . 28 U C6 . 28094 1 416 . 1 . 1 28 28 U N3 N 15 160.901 0.3 . 1 . . . . . 28 U N3 . 28094 1 417 . 1 . 1 29 29 G H1 H 1 10.099 0.03 . 1 . . . . . 29 G H1 . 28094 1 418 . 1 . 1 29 29 G H1' H 1 5.494 0.03 . 1 . . . . . 29 G H1' . 28094 1 419 . 1 . 1 29 29 G H2' H 1 4.482 0.03 . 1 . . . . . 29 G H2' . 28094 1 420 . 1 . 1 29 29 G H3' H 1 4.254 0.03 . 1 . . . . . 29 G H3' . 28094 1 421 . 1 . 1 29 29 G H4' H 1 4.481 0.03 . 1 . . . . . 29 G H4' . 28094 1 422 . 1 . 1 29 29 G H5' H 1 4.299 0.03 . 1 . . . . . 29 G H5' . 28094 1 423 . 1 . 1 29 29 G H5'' H 1 4.206 0.03 . 1 . . . . . 29 G H5'' . 28094 1 424 . 1 . 1 29 29 G H8 H 1 7.662 0.03 . 1 . . . . . 29 G H8 . 28094 1 425 . 1 . 1 29 29 G C1' C 13 85.057 0.3 . 1 . . . . . 29 G C1' . 28094 1 426 . 1 . 1 29 29 G C2' C 13 73.458 0.3 . 1 . . . . . 29 G C2' . 28094 1 427 . 1 . 1 29 29 G C3' C 13 71.018 0.3 . 1 . . . . . 29 G C3' . 28094 1 428 . 1 . 1 29 29 G C4' C 13 80.647 0.3 . 1 . . . . . 29 G C4' . 28094 1 429 . 1 . 1 29 29 G C5' C 13 63.977 0.3 . 1 . . . . . 29 G C5' . 28094 1 430 . 1 . 1 29 29 G C8 C 13 136.719 0.3 . 1 . . . . . 29 G C8 . 28094 1 431 . 1 . 1 29 29 G N1 N 15 145.825 0.3 . 1 . . . . . 29 G N1 . 28094 1 432 . 1 . 1 30 30 G H1' H 1 5.731 0.03 . 1 . . . . . 30 G H1' . 28094 1 433 . 1 . 1 30 30 G H2' H 1 4.764 0.03 . 1 . . . . . 30 G H2' . 28094 1 434 . 1 . 1 30 30 G H3' H 1 4.121 0.03 . 1 . . . . . 30 G H3' . 28094 1 435 . 1 . 1 30 30 G H4' H 1 4.126 0.03 . 1 . . . . . 30 G H4' . 28094 1 436 . 1 . 1 30 30 G H5' H 1 4.446 0.03 . 1 . . . . . 30 G H5' . 28094 1 437 . 1 . 1 30 30 G H5'' H 1 4.231 0.03 . 1 . . . . . 30 G H5'' . 28094 1 438 . 1 . 1 30 30 G H8 H 1 7.749 0.03 . 1 . . . . . 30 G H8 . 28094 1 439 . 1 . 1 30 30 G C1' C 13 87.347 0.3 . 1 . . . . . 30 G C1' . 28094 1 440 . 1 . 1 30 30 G C2' C 13 71.061 0.3 . 1 . . . . . 30 G C2' . 28094 1 441 . 1 . 1 30 30 G C3' C 13 69.824 0.3 . 1 . . . . . 30 G C3' . 28094 1 442 . 1 . 1 30 30 G C4' C 13 80.124 0.3 . 1 . . . . . 30 G C4' . 28094 1 443 . 1 . 1 30 30 G C5' C 13 64.168 0.3 . 1 . . . . . 30 G C5' . 28094 1 444 . 1 . 1 30 30 G C8 C 13 136.339 0.3 . 1 . . . . . 30 G C8 . 28094 1 445 . 1 . 1 31 31 A H1' H 1 5.804 0.03 . 1 . . . . . 31 A H1' . 28094 1 446 . 1 . 1 31 31 A H2 H 1 8.002 0.03 . 1 . . . . . 31 A H2 . 28094 1 447 . 1 . 1 31 31 A H2' H 1 4.424 0.03 . 1 . . . . . 31 A H2' . 28094 1 448 . 1 . 1 31 31 A H3' H 1 4.380 0.03 . 1 . . . . . 31 A H3' . 28094 1 449 . 1 . 1 31 31 A H4' H 1 4.085 0.03 . 1 . . . . . 31 A H4' . 28094 1 450 . 1 . 1 31 31 A H5' H 1 4.387 0.03 . 1 . . . . . 31 A H5' . 28094 1 451 . 1 . 1 31 31 A H5'' H 1 4.146 0.03 . 1 . . . . . 31 A H5'' . 28094 1 452 . 1 . 1 31 31 A H8 H 1 7.988 0.03 . 1 . . . . . 31 A H8 . 28094 1 453 . 1 . 1 31 31 A C1' C 13 87.651 0.3 . 1 . . . . . 31 A C1' . 28094 1 454 . 1 . 1 31 31 A C2 C 13 151.990 0.3 . 1 . . . . . 31 A C2 . 28094 1 455 . 1 . 1 31 31 A C2' C 13 71.116 0.3 . 1 . . . . . 31 A C2' . 28094 1 456 . 1 . 1 31 31 A C3' C 13 69.847 0.3 . 1 . . . . . 31 A C3' . 28094 1 457 . 1 . 1 31 31 A C4' C 13 81.833 0.3 . 1 . . . . . 31 A C4' . 28094 1 458 . 1 . 1 31 31 A C5' C 13 64.309 0.3 . 1 . . . . . 31 A C5' . 28094 1 459 . 1 . 1 31 31 A C8 C 13 137.382 0.3 . 1 . . . . . 31 A C8 . 28094 1 460 . 1 . 1 32 32 A H1' H 1 5.917 0.03 . 1 . . . . . 32 A H1' . 28094 1 461 . 1 . 1 32 32 A H2 H 1 7.783 0.03 . 1 . . . . . 32 A H2 . 28094 1 462 . 1 . 1 32 32 A H2' H 1 4.461 0.03 . 1 . . . . . 32 A H2' . 28094 1 463 . 1 . 1 32 32 A H3' H 1 4.677 0.03 . 1 . . . . . 32 A H3' . 28094 1 464 . 1 . 1 32 32 A H4' H 1 4.347 0.03 . 1 . . . . . 32 A H4' . 28094 1 465 . 1 . 1 32 32 A H5' H 1 4.102 0.03 . 1 . . . . . 32 A H5' . 28094 1 466 . 1 . 1 32 32 A H5'' H 1 4.026 0.03 . 1 . . . . . 32 A H5'' . 28094 1 467 . 1 . 1 32 32 A H8 H 1 7.696 0.03 . 1 . . . . . 32 A H8 . 28094 1 468 . 1 . 1 32 32 A C1' C 13 89.094 0.3 . 1 . . . . . 32 A C1' . 28094 1 469 . 1 . 1 32 32 A C2 C 13 152.006 0.3 . 1 . . . . . 32 A C2 . 28094 1 470 . 1 . 1 32 32 A C2' C 13 72.641 0.3 . 1 . . . . . 32 A C2' . 28094 1 471 . 1 . 1 32 32 A C3' C 13 72.906 0.3 . 1 . . . . . 32 A C3' . 28094 1 472 . 1 . 1 32 32 A C4' C 13 80.819 0.3 . 1 . . . . . 32 A C4' . 28094 1 473 . 1 . 1 32 32 A C5' C 13 64.332 0.3 . 1 . . . . . 32 A C5' . 28094 1 474 . 1 . 1 32 32 A C8 C 13 140.987 0.3 . 1 . . . . . 32 A C8 . 28094 1 475 . 1 . 1 33 33 A H1' H 1 5.876 0.03 . 1 . . . . . 33 A H1' . 28094 1 476 . 1 . 1 33 33 A H2 H 1 7.016 0.03 . 1 . . . . . 33 A H2 . 28094 1 477 . 1 . 1 33 33 A H2' H 1 4.228 0.03 . 1 . . . . . 33 A H2' . 28094 1 478 . 1 . 1 33 33 A H3' H 1 4.356 0.03 . 1 . . . . . 33 A H3' . 28094 1 479 . 1 . 1 33 33 A H4' H 1 4.438 0.03 . 1 . . . . . 33 A H4' . 28094 1 480 . 1 . 1 33 33 A H5' H 1 4.365 0.03 . 1 . . . . . 33 A H5' . 28094 1 481 . 1 . 1 33 33 A H5'' H 1 4.074 0.03 . 1 . . . . . 33 A H5'' . 28094 1 482 . 1 . 1 33 33 A H8 H 1 7.352 0.03 . 1 . . . . . 33 A H8 . 28094 1 483 . 1 . 1 33 33 A C1' C 13 89.481 0.3 . 1 . . . . . 33 A C1' . 28094 1 484 . 1 . 1 33 33 A C2 C 13 149.975 0.3 . 1 . . . . . 33 A C2 . 28094 1 485 . 1 . 1 33 33 A C2' C 13 69.842 0.3 . 1 . . . . . 33 A C2' . 28094 1 486 . 1 . 1 33 33 A C3' C 13 73.000 0.3 . 1 . . . . . 33 A C3' . 28094 1 487 . 1 . 1 33 33 A C4' C 13 82.481 0.3 . 1 . . . . . 33 A C4' . 28094 1 488 . 1 . 1 33 33 A C5' C 13 64.357 0.3 . 1 . . . . . 33 A C5' . 28094 1 489 . 1 . 1 33 33 A C8 C 13 137.341 0.3 . 1 . . . . . 33 A C8 . 28094 1 490 . 1 . 1 34 34 A H1' H 1 5.769 0.03 . 1 . . . . . 34 A H1' . 28094 1 491 . 1 . 1 34 34 A H2 H 1 6.980 0.03 . 1 . . . . . 34 A H2 . 28094 1 492 . 1 . 1 34 34 A H2' H 1 4.644 0.03 . 1 . . . . . 34 A H2' . 28094 1 493 . 1 . 1 34 34 A H3' H 1 4.163 0.03 . 1 . . . . . 34 A H3' . 28094 1 494 . 1 . 1 34 34 A H4' H 1 4.061 0.03 . 1 . . . . . 34 A H4' . 28094 1 495 . 1 . 1 34 34 A H5' H 1 4.325 0.03 . 1 . . . . . 34 A H5' . 28094 1 496 . 1 . 1 34 34 A H5'' H 1 4.002 0.03 . 1 . . . . . 34 A H5'' . 28094 1 497 . 1 . 1 34 34 A H8 H 1 8.084 0.03 . 1 . . . . . 34 A H8 . 28094 1 498 . 1 . 1 34 34 A C1' C 13 91.328 0.3 . 1 . . . . . 34 A C1' . 28094 1 499 . 1 . 1 34 34 A C2 C 13 149.961 0.3 . 1 . . . . . 34 A C2 . 28094 1 500 . 1 . 1 34 34 A C2' C 13 72.518 0.3 . 1 . . . . . 34 A C2' . 28094 1 501 . 1 . 1 34 34 A C3' C 13 72.672 0.3 . 1 . . . . . 34 A C3' . 28094 1 502 . 1 . 1 34 34 A C4' C 13 82.262 0.3 . 1 . . . . . 34 A C4' . 28094 1 503 . 1 . 1 34 34 A C5' C 13 64.433 0.3 . 1 . . . . . 34 A C5' . 28094 1 504 . 1 . 1 34 34 A C8 C 13 139.068 0.3 . 1 . . . . . 34 A C8 . 28094 1 505 . 1 . 1 35 35 A H1' H 1 5.876 0.03 . 1 . . . . . 35 A H1' . 28094 1 506 . 1 . 1 35 35 A H2 H 1 7.697 0.03 . 1 . . . . . 35 A H2 . 28094 1 507 . 1 . 1 35 35 A H2' H 1 4.691 0.03 . 1 . . . . . 35 A H2' . 28094 1 508 . 1 . 1 35 35 A H3' H 1 4.846 0.03 . 1 . . . . . 35 A H3' . 28094 1 509 . 1 . 1 35 35 A H4' H 1 4.587 0.03 . 1 . . . . . 35 A H4' . 28094 1 510 . 1 . 1 35 35 A H5' H 1 4.306 0.03 . 1 . . . . . 35 A H5' . 28094 1 511 . 1 . 1 35 35 A H5'' H 1 4.087 0.03 . 1 . . . . . 35 A H5'' . 28094 1 512 . 1 . 1 35 35 A H8 H 1 7.607 0.03 . 1 . . . . . 35 A H8 . 28094 1 513 . 1 . 1 35 35 A C1' C 13 88.926 0.3 . 1 . . . . . 35 A C1' . 28094 1 514 . 1 . 1 35 35 A C2 C 13 151.210 0.3 . 1 . . . . . 35 A C2 . 28094 1 515 . 1 . 1 35 35 A C2' C 13 69.441 0.3 . 1 . . . . . 35 A C2' . 28094 1 516 . 1 . 1 35 35 A C3' C 13 74.717 0.3 . 1 . . . . . 35 A C3' . 28094 1 517 . 1 . 1 35 35 A C4' C 13 80.819 0.3 . 1 . . . . . 35 A C4' . 28094 1 518 . 1 . 1 35 35 A C5' C 13 64.516 0.3 . 1 . . . . . 35 A C5' . 28094 1 519 . 1 . 1 35 35 A C8 C 13 138.386 0.3 . 1 . . . . . 35 A C8 . 28094 1 520 . 1 . 1 36 36 U H1' H 1 5.559 0.03 . 1 . . . . . 36 U H1' . 28094 1 521 . 1 . 1 36 36 U H2' H 1 4.265 0.03 . 1 . . . . . 36 U H2' . 28094 1 522 . 1 . 1 36 36 U H3 H 1 11.307 0.03 . 1 . . . . . 36 U H3 . 28094 1 523 . 1 . 1 36 36 U H3' H 1 3.862 0.03 . 1 . . . . . 36 U H3' . 28094 1 524 . 1 . 1 36 36 U H4' H 1 4.556 0.03 . 1 . . . . . 36 U H4' . 28094 1 525 . 1 . 1 36 36 U H5 H 1 5.312 0.03 . 1 . . . . . 36 U H5 . 28094 1 526 . 1 . 1 36 36 U H5' H 1 4.355 0.03 . 1 . . . . . 36 U H5' . 28094 1 527 . 1 . 1 36 36 U H5'' H 1 4.218 0.03 . 1 . . . . . 36 U H5'' . 28094 1 528 . 1 . 1 36 36 U H6 H 1 7.842 0.03 . 1 . . . . . 36 U H6 . 28094 1 529 . 1 . 1 36 36 U C1' C 13 91.283 0.3 . 1 . . . . . 36 U C1' . 28094 1 530 . 1 . 1 36 36 U C2' C 13 72.368 0.3 . 1 . . . . . 36 U C2' . 28094 1 531 . 1 . 1 36 36 U C3' C 13 72.329 0.3 . 1 . . . . . 36 U C3' . 28094 1 532 . 1 . 1 36 36 U C4' C 13 79.859 0.3 . 1 . . . . . 36 U C4' . 28094 1 533 . 1 . 1 36 36 U C5 C 13 100.429 0.3 . 1 . . . . . 36 U C5 . 28094 1 534 . 1 . 1 36 36 U C5' C 13 64.698 0.3 . 1 . . . . . 36 U C5' . 28094 1 535 . 1 . 1 36 36 U C6 C 13 137.996 0.3 . 1 . . . . . 36 U C6 . 28094 1 536 . 1 . 1 36 36 U N3 N 15 158.333 0.3 . 1 . . . . . 36 U N3 . 28094 1 537 . 1 . 1 37 37 G H1 H 1 9.853 0.03 . 1 . . . . . 37 G H1 . 28094 1 538 . 1 . 1 37 37 G H1' H 1 5.604 0.03 . 1 . . . . . 37 G H1' . 28094 1 539 . 1 . 1 37 37 G H2' H 1 4.422 0.03 . 1 . . . . . 37 G H2' . 28094 1 540 . 1 . 1 37 37 G H3' H 1 4.956 0.03 . 1 . . . . . 37 G H3' . 28094 1 541 . 1 . 1 37 37 G H4' H 1 4.286 0.03 . 1 . . . . . 37 G H4' . 28094 1 542 . 1 . 1 37 37 G H5' H 1 4.235 0.03 . 1 . . . . . 37 G H5' . 28094 1 543 . 1 . 1 37 37 G H5'' H 1 3.963 0.03 . 1 . . . . . 37 G H5'' . 28094 1 544 . 1 . 1 37 37 G H8 H 1 8.084 0.03 . 1 . . . . . 37 G H8 . 28094 1 545 . 1 . 1 37 37 G C1' C 13 91.244 0.3 . 1 . . . . . 37 G C1' . 28094 1 546 . 1 . 1 37 37 G C2' C 13 72.572 0.3 . 1 . . . . . 37 G C2' . 28094 1 547 . 1 . 1 37 37 G C3' C 13 73.437 0.3 . 1 . . . . . 37 G C3' . 28094 1 548 . 1 . 1 37 37 G C4' C 13 79.609 0.3 . 1 . . . . . 37 G C4' . 28094 1 549 . 1 . 1 37 37 G C5' C 13 64.909 0.3 . 1 . . . . . 37 G C5' . 28094 1 550 . 1 . 1 37 37 G C8 C 13 136.430 0.3 . 1 . . . . . 37 G C8 . 28094 1 551 . 1 . 1 37 37 G N1 N 15 144.814 0.3 . 1 . . . . . 37 G N1 . 28094 1 552 . 1 . 1 38 38 A H1' H 1 5.395 0.03 . 1 . . . . . 38 A H1' . 28094 1 553 . 1 . 1 38 38 A H2 H 1 7.151 0.03 . 1 . . . . . 38 A H2 . 28094 1 554 . 1 . 1 38 38 A H2' H 1 4.298 0.03 . 1 . . . . . 38 A H2' . 28094 1 555 . 1 . 1 38 38 A H3' H 1 4.446 0.03 . 1 . . . . . 38 A H3' . 28094 1 556 . 1 . 1 38 38 A H4' H 1 4.509 0.03 . 1 . . . . . 38 A H4' . 28094 1 557 . 1 . 1 38 38 A H5' H 1 4.355 0.03 . 1 . . . . . 38 A H5' . 28094 1 558 . 1 . 1 38 38 A H5'' H 1 4.218 0.03 . 1 . . . . . 38 A H5'' . 28094 1 559 . 1 . 1 38 38 A H8 H 1 7.951 0.03 . 1 . . . . . 38 A H8 . 28094 1 560 . 1 . 1 38 38 A C1' C 13 91.143 0.3 . 1 . . . . . 38 A C1' . 28094 1 561 . 1 . 1 38 38 A C2 C 13 150.413 0.3 . 1 . . . . . 38 A C2 . 28094 1 562 . 1 . 1 38 38 A C2' C 13 72.814 0.3 . 1 . . . . . 38 A C2' . 28094 1 563 . 1 . 1 38 38 A C3' C 13 69.395 0.3 . 1 . . . . . 38 A C3' . 28094 1 564 . 1 . 1 38 38 A C4' C 13 82.082 0.3 . 1 . . . . . 38 A C4' . 28094 1 565 . 1 . 1 38 38 A C5' C 13 64.917 0.3 . 1 . . . . . 38 A C5' . 28094 1 566 . 1 . 1 38 38 A C8 C 13 137.705 0.3 . 1 . . . . . 38 A C8 . 28094 1 567 . 1 . 1 39 39 A H1' H 1 5.385 0.03 . 1 . . . . . 39 A H1' . 28094 1 568 . 1 . 1 39 39 A H2 H 1 7.729 0.03 . 1 . . . . . 39 A H2 . 28094 1 569 . 1 . 1 39 39 A H2' H 1 4.660 0.03 . 1 . . . . . 39 A H2' . 28094 1 570 . 1 . 1 39 39 A H3' H 1 4.351 0.03 . 1 . . . . . 39 A H3' . 28094 1 571 . 1 . 1 39 39 A H4' H 1 4.364 0.03 . 1 . . . . . 39 A H4' . 28094 1 572 . 1 . 1 39 39 A H5' H 1 4.323 0.03 . 1 . . . . . 39 A H5' . 28094 1 573 . 1 . 1 39 39 A H5'' H 1 4.187 0.03 . 1 . . . . . 39 A H5'' . 28094 1 574 . 1 . 1 39 39 A H8 H 1 7.857 0.03 . 1 . . . . . 39 A H8 . 28094 1 575 . 1 . 1 39 39 A C1' C 13 90.300 0.3 . 1 . . . . . 39 A C1' . 28094 1 576 . 1 . 1 39 39 A C2 C 13 151.225 0.3 . 1 . . . . . 39 A C2 . 28094 1 577 . 1 . 1 39 39 A C2' C 13 72.689 0.3 . 1 . . . . . 39 A C2' . 28094 1 578 . 1 . 1 39 39 A C3' C 13 70.042 0.3 . 1 . . . . . 39 A C3' . 28094 1 579 . 1 . 1 39 39 A C4' C 13 79.344 0.3 . 1 . . . . . 39 A C4' . 28094 1 580 . 1 . 1 39 39 A C5' C 13 64.940 0.3 . 1 . . . . . 39 A C5' . 28094 1 581 . 1 . 1 39 39 A C8 C 13 138.724 0.3 . 1 . . . . . 39 A C8 . 28094 1 582 . 1 . 1 40 40 C H1' H 1 5.862 0.03 . 1 . . . . . 40 C H1' . 28094 1 583 . 1 . 1 40 40 C H2' H 1 4.270 0.03 . 1 . . . . . 40 C H2' . 28094 1 584 . 1 . 1 40 40 C H3' H 1 4.348 0.03 . 1 . . . . . 40 C H3' . 28094 1 585 . 1 . 1 40 40 C H4' H 1 4.377 0.03 . 1 . . . . . 40 C H4' . 28094 1 586 . 1 . 1 40 40 C H5 H 1 5.662 0.03 . 1 . . . . . 40 C H5 . 28094 1 587 . 1 . 1 40 40 C H5' H 1 4.323 0.03 . 1 . . . . . 40 C H5' . 28094 1 588 . 1 . 1 40 40 C H5'' H 1 4.187 0.03 . 1 . . . . . 40 C H5'' . 28094 1 589 . 1 . 1 40 40 C H6 H 1 7.783 0.03 . 1 . . . . . 40 C H6 . 28094 1 590 . 1 . 1 40 40 C H41 H 1 8.228 0.03 . 1 . . . . . 40 C H41 . 28094 1 591 . 1 . 1 40 40 C H42 H 1 6.826 0.03 . 1 . . . . . 40 C H42 . 28094 1 592 . 1 . 1 40 40 C C1' C 13 88.774 0.3 . 1 . . . . . 40 C C1' . 28094 1 593 . 1 . 1 40 40 C C2' C 13 70.176 0.3 . 1 . . . . . 40 C C2' . 28094 1 594 . 1 . 1 40 40 C C3' C 13 70.565 0.3 . 1 . . . . . 40 C C3' . 28094 1 595 . 1 . 1 40 40 C C4' C 13 81.068 0.3 . 1 . . . . . 40 C C4' . 28094 1 596 . 1 . 1 40 40 C C5 C 13 94.954 0.3 . 1 . . . . . 40 C C5 . 28094 1 597 . 1 . 1 40 40 C C5' C 13 64.979 0.3 . 1 . . . . . 40 C C5' . 28094 1 598 . 1 . 1 40 40 C C6 C 13 139.751 0.3 . 1 . . . . . 40 C C6 . 28094 1 599 . 1 . 1 41 41 C H1' H 1 5.861 0.03 . 1 . . . . . 41 C H1' . 28094 1 600 . 1 . 1 41 41 C H2' H 1 3.723 0.03 . 1 . . . . . 41 C H2' . 28094 1 601 . 1 . 1 41 41 C H3' H 1 4.539 0.03 . 1 . . . . . 41 C H3' . 28094 1 602 . 1 . 1 41 41 C H4' H 1 4.377 0.03 . 1 . . . . . 41 C H4' . 28094 1 603 . 1 . 1 41 41 C H5 H 1 5.519 0.03 . 1 . . . . . 41 C H5 . 28094 1 604 . 1 . 1 41 41 C H6 H 1 7.733 0.03 . 1 . . . . . 41 C H6 . 28094 1 605 . 1 . 1 41 41 C C1' C 13 88.197 0.3 . 1 . . . . . 41 C C1' . 28094 1 606 . 1 . 1 41 41 C C2' C 13 72.787 0.3 . 1 . . . . . 41 C C2' . 28094 1 607 . 1 . 1 41 41 C C3' C 13 69.208 0.3 . 1 . . . . . 41 C C3' . 28094 1 608 . 1 . 1 41 41 C C4' C 13 81.997 0.3 . 1 . . . . . 41 C C4' . 28094 1 609 . 1 . 1 41 41 C C5 C 13 94.595 0.3 . 1 . . . . . 41 C C5 . 28094 1 610 . 1 . 1 41 41 C C6 C 13 139.021 0.3 . 1 . . . . . 41 C C6 . 28094 1 stop_ save_