data_26568 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26568 _Entry.Title ; The structure of the SOLE element of oskar mRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-28 _Entry.Accession_date 2015-04-28 _Entry.Last_release_date 2015-05-04 _Entry.Original_release_date 2015-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Bernd Simon . . . . 26568 2 P. Masiewicz . . . . 26568 3 A. Ephrussi . . . . 26568 4 T. Carlomagno . . . . 26568 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26568 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . SimonGroup . 26568 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 26568 'SOLE element' . 26568 oskar . 26568 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26568 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 213 26568 '15N chemical shifts' 38 26568 '1H chemical shifts' 251 26568 '31P chemical shifts' 30 26568 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 . . 2016-07-12 2015-04-28 update BMRB 'update entry citation' 26568 1 . . 2015-05-04 2015-04-28 original author 'original release' 26568 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5a17 'SOLE element of oskar mRNA' 26568 PDB 5a18 'SOLE element of oskar mRNA, after water refinement' 26568 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26568 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26089324 _Citation.Full_citation . _Citation.Title ; The structure of the SOLE element of oskar mRNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full RNA _Citation.Journal_volume 21 _Citation.Journal_issue 8 _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 1444 _Citation.Page_last 1453 _Citation.Year 2015 _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 Bernd Simon . . . . 26568 1 2 P. Masiewicz . . . . 26568 1 3 A. Ephrussi . . . . 26568 1 4 T. Carlomagno . . . . 26568 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26568 _Assembly.ID 1 _Assembly.Name 'The structure of the SOLE element of oskar mRNA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10376.25762 _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 'OSKAR MRNA' 1 $OSKAR_MRNA A . yes native no no . . . 26568 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OSKAR_MRNA _Entity.Sf_category entity _Entity.Sf_framecode OSKAR_MRNA _Entity.Entry_ID 26568 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OSKAR_MRNA _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 ; GACGAUAUCGAGCAUCAAGA GUGAAUAUCGUC ; _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 yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'SOLE element' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10376.25762 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P25158 . P25158 . . . . . . . . . . . . . . 26568 1 2 yes PDB 5A17 . 5A17 . . . . . . . . . . . . . . 26568 1 3 yes PDB 5A18 . 5A18 . . . . . . . . . . . . . . 26568 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 26568 1 2 . A . 26568 1 3 . C . 26568 1 4 . G . 26568 1 5 . A . 26568 1 6 . U . 26568 1 7 . A . 26568 1 8 . U . 26568 1 9 . C . 26568 1 10 . G . 26568 1 11 . A . 26568 1 12 . G . 26568 1 13 . C . 26568 1 14 . A . 26568 1 15 . U . 26568 1 16 . C . 26568 1 17 . A . 26568 1 18 . A . 26568 1 19 . G . 26568 1 20 . A . 26568 1 21 . G . 26568 1 22 . U . 26568 1 23 . G . 26568 1 24 . A . 26568 1 25 . A . 26568 1 26 . U . 26568 1 27 . A . 26568 1 28 . U . 26568 1 29 . C . 26568 1 30 . G . 26568 1 31 . U . 26568 1 32 . C . 26568 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 26568 1 . A 2 2 26568 1 . C 3 3 26568 1 . G 4 4 26568 1 . A 5 5 26568 1 . U 6 6 26568 1 . A 7 7 26568 1 . U 8 8 26568 1 . C 9 9 26568 1 . G 10 10 26568 1 . A 11 11 26568 1 . G 12 12 26568 1 . C 13 13 26568 1 . A 14 14 26568 1 . U 15 15 26568 1 . C 16 16 26568 1 . A 17 17 26568 1 . A 18 18 26568 1 . G 19 19 26568 1 . A 20 20 26568 1 . G 21 21 26568 1 . U 22 22 26568 1 . G 23 23 26568 1 . A 24 24 26568 1 . A 25 25 26568 1 . U 26 26 26568 1 . A 27 27 26568 1 . U 28 28 26568 1 . C 29 29 26568 1 . G 30 30 26568 1 . U 31 31 26568 1 . C 32 32 26568 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 26568 _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 $OSKAR_MRNA . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 26568 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 26568 _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 $OSKAR_MRNA . 'recombinant technology' 'in vitro transcription' 'in vitro transcription' . . . . . . . . . . . . . . 26568 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26568 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3-0.4 mmol/l' _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 'OSKAR MRNA' '[U-13C; U-15N]' . . 1 $OSKAR_MRNA . . 0.35 0.3 0.4 mM 0.05 . . . 26568 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 26568 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.4], temp [308], pressure [0.0], ionStrength [0.0]' 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' 0.0 . mM 26568 1 pH 6.400 . pH 26568 1 pressure 1 . atm 26568 1 temperature 308.000 . K 26568 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 26568 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 26568 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26568 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26568 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details 'REFINEMENT IN WATER' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26568 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26568 2 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 26568 _Software.ID 3 _Software.Name FELIX _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 26568 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26568 3 stop_ save_ save_Aria _Method.Sf_category method _Method.Sf_framecode Aria _Method.Entry_ID 26568 _Method.ID 1 _Method.Derivation_type . _Method.Details Aria _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-600 _NMR_spectrometer.Entry_ID 26568 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_Avance-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-800 _NMR_spectrometer.Entry_ID 26568 _NMR_spectrometer.ID 2 _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 26568 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_Avance-600 Bruker Avance . 600 . . . 26568 1 2 Bruker_Avance-800 Bruker Avance . 800 . . . 26568 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 26568 _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 HBCNB/HSCNB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 26568 1 2 HCCH-COSY-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 26568 1 3 '3D EDITED NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 26568 1 4 HBCNB/HSCNB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 26568 1 5 HCCH-COSY-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 26568 1 6 '3D 13C EDITED NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 26568 1 7 '2D NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 26568 1 8 '2D HNN-COSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 26568 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 26568 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 HDO protons . . . . ppm 4.676 internal indirect 0.25144953 . . . . . 26568 1 H 1 HDO protons . . . . ppm 4.676 internal indirect 1 . . . . . 26568 1 N 15 HDO protons . . . . ppm 4.676 internal indirect 0.101329118 . . . . . 26568 1 P 31 HDO protons . . . . ppm 4.676 internal indirect 0.40480864 . . . . . 26568 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26568 _Assigned_chem_shift_list.ID 1 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5a17/ebi/oskar_3_1.str.csh' _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 HBCNB/HSCNB 1 $sample_1 solution 26568 1 2 HCCH-COSY-TOCSY 1 $sample_1 solution 26568 1 3 '3D EDITED NOESY' 1 $sample_1 solution 26568 1 6 '3D 13C EDITED NOESY' 1 $sample_1 solution 26568 1 7 '2D NOESY' 1 $sample_1 solution 26568 1 8 '2D HNN-COSY' 1 $sample_1 solution 26568 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CNS 1 $Aria 26568 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 12.63 . . 1 . 15 . . 1 G H1 . 26568 1 2 . 1 1 1 1 G H1' H 1 5.87 . . 1 . 10 . . 1 G H1' . 26568 1 3 . 1 1 1 1 G H2' H 1 5.00 . . 1 . 11 . . 1 G H2' . 26568 1 4 . 1 1 1 1 G H3' H 1 4.87 . . 1 . 12 . . 1 G H3' . 26568 1 5 . 1 1 1 1 G H4' H 1 4.65 . . 1 . 13 . . 1 G H4' . 26568 1 6 . 1 1 1 1 G H5' H 1 4.48 . . 1 . 14 . . 1 G H5' . 26568 1 7 . 1 1 1 1 G H8 H 1 8.22 . . 1 . 16 . . 1 G H8 . 26568 1 8 . 1 1 1 1 G C1' C 13 88.04 . . 1 . 6 . . 1 G C1' . 26568 1 9 . 1 1 1 1 G C2' C 13 72.50 . . 1 . 5 . . 1 G C2' . 26568 1 10 . 1 1 1 1 G C3' C 13 72.50 . . 1 . 4 . . 1 G C3' . 26568 1 11 . 1 1 1 1 G C4' C 13 81.20 . . 1 . 3 . . 1 G C4' . 26568 1 12 . 1 1 1 1 G C5' C 13 64.60 . . 1 . 2 . . 1 G C5' . 26568 1 13 . 1 1 1 1 G C8 C 13 136.58 . . 1 . 8 . . 1 G C8 . 26568 1 14 . 1 1 1 1 G N1 N 15 146.60 . . 1 . 9 . . 1 G N1 . 26568 1 15 . 1 1 1 1 G N9 N 15 167.60 . . 1 . 7 . . 1 G N9 . 26568 1 16 . 1 1 1 1 G P P 31 -3.78 . . 1 . 1 . . 1 G P . 26568 1 17 . 1 1 2 2 A H1' H 1 6.22 . . 1 . 26 . . 2 A H1' . 26568 1 18 . 1 1 2 2 A H2 H 1 8.05 . . 1 . 32 . . 2 A H2 . 26568 1 19 . 1 1 2 2 A H2' H 1 4.69 . . 1 . 27 . . 2 A H2' . 26568 1 20 . 1 1 2 2 A H3' H 1 4.76 . . 1 . 28 . . 2 A H3' . 26568 1 21 . 1 1 2 2 A H4' H 1 4.70 . . 1 . 29 . . 2 A H4' . 26568 1 22 . 1 1 2 2 A H5' H 1 4.65 . . 2 . 30 . . 2 A H5' . 26568 1 23 . 1 1 2 2 A H5'' H 1 4.48 . . 2 . 31 . . 2 A H5'' . 26568 1 24 . 1 1 2 2 A H8 H 1 8.25 . . 1 . 33 . . 2 A H8 . 26568 1 25 . 1 1 2 2 A C1' C 13 90.40 . . 1 . 22 . . 2 A C1' . 26568 1 26 . 1 1 2 2 A C2 C 13 151.40 . . 1 . 25 . . 2 A C2 . 26568 1 27 . 1 1 2 2 A C2' C 13 73.00 . . 1 . 21 . . 2 A C2' . 26568 1 28 . 1 1 2 2 A C3' C 13 70.60 . . 1 . 20 . . 2 A C3' . 26568 1 29 . 1 1 2 2 A C4' C 13 80.04 . . 1 . 19 . . 2 A C4' . 26568 1 30 . 1 1 2 2 A C5' C 13 63.30 . . 1 . 18 . . 2 A C5' . 26568 1 31 . 1 1 2 2 A C8 C 13 137.75 . . 1 . 24 . . 2 A C8 . 26568 1 32 . 1 1 2 2 A N9 N 15 170.70 . . 1 . 23 . . 2 A N9 . 26568 1 33 . 1 1 2 2 A P P 31 -3.94 . . 1 . 17 . . 2 A P . 26568 1 34 . 1 1 3 3 C H1' H 1 5.58 . . 1 . 43 . . 3 C H1' . 26568 1 35 . 1 1 3 3 C H2' H 1 4.54 . . 1 . 44 . . 3 C H2' . 26568 1 36 . 1 1 3 3 C H3' H 1 4.52 . . 1 . 45 . . 3 C H3' . 26568 1 37 . 1 1 3 3 C H4' H 1 4.52 . . 1 . 46 . . 3 C H4' . 26568 1 38 . 1 1 3 3 C H5 H 1 5.31 . . 1 . 49 . . 3 C H5 . 26568 1 39 . 1 1 3 3 C H5' H 1 4.20 . . 2 . 47 . . 3 C H5' . 26568 1 40 . 1 1 3 3 C H5'' H 1 4.63 . . 2 . 48 . . 3 C H5'' . 26568 1 41 . 1 1 3 3 C H6 H 1 7.55 . . 1 . 50 . . 3 C H6 . 26568 1 42 . 1 1 3 3 C C1' C 13 90.70 . . 1 . 39 . . 3 C C1' . 26568 1 43 . 1 1 3 3 C C2' C 13 73.00 . . 1 . 38 . . 3 C C2' . 26568 1 44 . 1 1 3 3 C C3' C 13 69.90 . . 1 . 37 . . 3 C C3' . 26568 1 45 . 1 1 3 3 C C4' C 13 78.90 . . 1 . 36 . . 3 C C4' . 26568 1 46 . 1 1 3 3 C C5 C 13 94.94 . . 1 . 41 . . 3 C C5 . 26568 1 47 . 1 1 3 3 C C5' C 13 62.30 . . 1 . 35 . . 3 C C5' . 26568 1 48 . 1 1 3 3 C C6 C 13 137.60 . . 1 . 42 . . 3 C C6 . 26568 1 49 . 1 1 3 3 C N1 N 15 150.00 . . 1 . 40 . . 3 C N1 . 26568 1 50 . 1 1 3 3 C P P 31 -4.33 . . 1 . 34 . . 3 C P . 26568 1 51 . 1 1 4 4 G H1 H 1 12.13 . . 1 . 66 . . 4 G H1 . 26568 1 52 . 1 1 4 4 G H1' H 1 5.80 . . 1 . 60 . . 4 G H1' . 26568 1 53 . 1 1 4 4 G H2' H 1 4.74 . . 1 . 61 . . 4 G H2' . 26568 1 54 . 1 1 4 4 G H3' H 1 4.67 . . 1 . 62 . . 4 G H3' . 26568 1 55 . 1 1 4 4 G H4' H 1 4.58 . . 1 . 63 . . 4 G H4' . 26568 1 56 . 1 1 4 4 G H5' H 1 4.58 . . 2 . 64 . . 4 G H5' . 26568 1 57 . 1 1 4 4 G H5'' H 1 4.23 . . 2 . 65 . . 4 G H5'' . 26568 1 58 . 1 1 4 4 G H8 H 1 7.58 . . 1 . 67 . . 4 G H8 . 26568 1 59 . 1 1 4 4 G C1' C 13 90.30 . . 1 . 56 . . 4 G C1' . 26568 1 60 . 1 1 4 4 G C2' C 13 72.80 . . 1 . 55 . . 4 G C2' . 26568 1 61 . 1 1 4 4 G C3' C 13 70.10 . . 1 . 54 . . 4 G C3' . 26568 1 62 . 1 1 4 4 G C4' C 13 79.60 . . 1 . 53 . . 4 G C4' . 26568 1 63 . 1 1 4 4 G C5' C 13 63.30 . . 1 . 52 . . 4 G C5' . 26568 1 64 . 1 1 4 4 G C8 C 13 133.70 . . 1 . 58 . . 4 G C8 . 26568 1 65 . 1 1 4 4 G N1 N 15 146.60 . . 1 . 59 . . 4 G N1 . 26568 1 66 . 1 1 4 4 G N9 N 15 168.70 . . 1 . 57 . . 4 G N9 . 26568 1 67 . 1 1 4 4 G P P 31 -4.46 . . 1 . 51 . . 4 G P . 26568 1 68 . 1 1 5 5 A H1' H 1 6.04 . . 1 . 76 . . 5 A H1' . 26568 1 69 . 1 1 5 5 A H2 H 1 7.79 . . 1 . 82 . . 5 A H2 . 26568 1 70 . 1 1 5 5 A H2' H 1 4.58 . . 1 . 77 . . 5 A H2' . 26568 1 71 . 1 1 5 5 A H3' H 1 4.70 . . 1 . 78 . . 5 A H3' . 26568 1 72 . 1 1 5 5 A H4' H 1 4.62 . . 1 . 79 . . 5 A H4' . 26568 1 73 . 1 1 5 5 A H5' H 1 4.68 . . 2 . 80 . . 5 A H5' . 26568 1 74 . 1 1 5 5 A H5'' H 1 4.24 . . 2 . 81 . . 5 A H5'' . 26568 1 75 . 1 1 5 5 A H8 H 1 7.89 . . 1 . 83 . . 5 A H8 . 26568 1 76 . 1 1 5 5 A C1' C 13 90.50 . . 1 . 72 . . 5 A C1' . 26568 1 77 . 1 1 5 5 A C2 C 13 151.30 . . 1 . 75 . . 5 A C2 . 26568 1 78 . 1 1 5 5 A C2' C 13 72.90 . . 1 . 71 . . 5 A C2' . 26568 1 79 . 1 1 5 5 A C3' C 13 70.10 . . 1 . 70 . . 5 A C3' . 26568 1 80 . 1 1 5 5 A C4' C 13 79.70 . . 1 . 69 . . 5 A C4' . 26568 1 81 . 1 1 5 5 A C5' C 13 62.30 . . 1 . 68 . . 5 A C5' . 26568 1 82 . 1 1 5 5 A C8 C 13 136.80 . . 1 . 74 . . 5 A C8 . 26568 1 83 . 1 1 5 5 A N9 N 15 170.50 . . 1 . 73 . . 5 A N9 . 26568 1 84 . 1 1 6 6 U H1' H 1 5.57 . . 1 . 93 . . 6 U H1' . 26568 1 85 . 1 1 6 6 U H2' H 1 4.53 . . 1 . 94 . . 6 U H2' . 26568 1 86 . 1 1 6 6 U H3 H 1 13.37 . . 1 . 99 . . 6 U H3 . 26568 1 87 . 1 1 6 6 U H3' H 1 4.58 . . 1 . 95 . . 6 U H3' . 26568 1 88 . 1 1 6 6 U H4' H 1 4.38 . . 1 . 96 . . 6 U H4' . 26568 1 89 . 1 1 6 6 U H5 H 1 5.17 . . 1 . 101 . . 6 U H5 . 26568 1 90 . 1 1 6 6 U H5' H 1 4.63 . . 2 . 97 . . 6 U H5' . 26568 1 91 . 1 1 6 6 U H5'' H 1 4.20 . . 2 . 98 . . 6 U H5'' . 26568 1 92 . 1 1 6 6 U H6 H 1 7.67 . . 1 . 100 . . 6 U H6 . 26568 1 93 . 1 1 6 6 U C1' C 13 90.50 . . 1 . 88 . . 6 U C1' . 26568 1 94 . 1 1 6 6 U C2' C 13 73.10 . . 1 . 87 . . 6 U C2' . 26568 1 95 . 1 1 6 6 U C3' C 13 69.60 . . 1 . 86 . . 6 U C3' . 26568 1 96 . 1 1 6 6 U C5 C 13 100.30 . . 1 . 91 . . 6 U C5 . 26568 1 97 . 1 1 6 6 U C5' C 13 61.70 . . 1 . 85 . . 6 U C5' . 26568 1 98 . 1 1 6 6 U C6 C 13 138.50 . . 1 . 92 . . 6 U C6 . 26568 1 99 . 1 1 6 6 U N1 N 15 145.50 . . 1 . 89 . . 6 U N1 . 26568 1 100 . 1 1 6 6 U N3 N 15 161.90 . . 1 . 90 . . 6 U N3 . 26568 1 101 . 1 1 6 6 U P P 31 -1.08 . . 1 . 84 . . 6 U P . 26568 1 102 . 1 1 7 7 A H1' H 1 6.11 . . 1 . 111 . . 7 A H1' . 26568 1 103 . 1 1 7 7 A H2 H 1 7.26 . . 1 . 117 . . 7 A H2 . 26568 1 104 . 1 1 7 7 A H2' H 1 4.54 . . 1 . 112 . . 7 A H2' . 26568 1 105 . 1 1 7 7 A H3' H 1 4.71 . . 1 . 113 . . 7 A H3' . 26568 1 106 . 1 1 7 7 A H4' H 1 4.63 . . 1 . 114 . . 7 A H4' . 26568 1 107 . 1 1 7 7 A H5' H 1 4.28 . . 2 . 115 . . 7 A H5' . 26568 1 108 . 1 1 7 7 A H5'' H 1 4.65 . . 2 . 116 . . 7 A H5'' . 26568 1 109 . 1 1 7 7 A H8 H 1 8.18 . . 1 . 118 . . 7 A H8 . 26568 1 110 . 1 1 7 7 A C1' C 13 90.14 . . 1 . 107 . . 7 A C1' . 26568 1 111 . 1 1 7 7 A C2 C 13 150.70 . . 1 . 110 . . 7 A C2 . 26568 1 112 . 1 1 7 7 A C2' C 13 73.20 . . 1 . 106 . . 7 A C2' . 26568 1 113 . 1 1 7 7 A C3' C 13 70.60 . . 1 . 105 . . 7 A C3' . 26568 1 114 . 1 1 7 7 A C4' C 13 79.80 . . 1 . 104 . . 7 A C4' . 26568 1 115 . 1 1 7 7 A C5' C 13 62.90 . . 1 . 103 . . 7 A C5' . 26568 1 116 . 1 1 7 7 A C8 C 13 137.10 . . 1 . 109 . . 7 A C8 . 26568 1 117 . 1 1 7 7 A N9 N 15 170.70 . . 1 . 108 . . 7 A N9 . 26568 1 118 . 1 1 7 7 A P P 31 -4.25 . . 1 . 102 . . 7 A P . 26568 1 119 . 1 1 8 8 U H1' H 1 5.58 . . 1 . 128 . . 8 U H1' . 26568 1 120 . 1 1 8 8 U H2' H 1 4.37 . . 1 . 129 . . 8 U H2' . 26568 1 121 . 1 1 8 8 U H3 H 1 13.22 . . 1 . 133 . . 8 U H3 . 26568 1 122 . 1 1 8 8 U H3' H 1 4.49 . . 1 . 130 . . 8 U H3' . 26568 1 123 . 1 1 8 8 U H4' H 1 4.49 . . 1 . 131 . . 8 U H4' . 26568 1 124 . 1 1 8 8 U H5 H 1 5.16 . . 1 . 135 . . 8 U H5 . 26568 1 125 . 1 1 8 8 U H5' H 1 4.17 . . 1 . 132 . . 8 U H5' . 26568 1 126 . 1 1 8 8 U H6 H 1 7.55 . . 1 . 134 . . 8 U H6 . 26568 1 127 . 1 1 8 8 U C1' C 13 90.30 . . 1 . 124 . . 8 U C1' . 26568 1 128 . 1 1 8 8 U C2' C 13 72.70 . . 1 . 123 . . 8 U C2' . 26568 1 129 . 1 1 8 8 U C3' C 13 70.70 . . 1 . 122 . . 8 U C3' . 26568 1 130 . 1 1 8 8 U C4' C 13 80.04 . . 1 . 121 . . 8 U C4' . 26568 1 131 . 1 1 8 8 U C5 C 13 100.50 . . 1 . 126 . . 8 U C5 . 26568 1 132 . 1 1 8 8 U C5' C 13 62.80 . . 1 . 120 . . 8 U C5' . 26568 1 133 . 1 1 8 8 U C6 C 13 138.80 . . 1 . 127 . . 8 U C6 . 26568 1 134 . 1 1 8 8 U N1 N 15 145.30 . . 1 . 125 . . 8 U N1 . 26568 1 135 . 1 1 8 8 U P P 31 -4.63 . . 1 . 119 . . 8 U P . 26568 1 136 . 1 1 9 9 C H1' H 1 5.62 . . 1 . 145 . . 9 C H1' . 26568 1 137 . 1 1 9 9 C H2' H 1 4.40 . . 1 . 146 . . 9 C H2' . 26568 1 138 . 1 1 9 9 C H3' H 1 4.57 . . 1 . 147 . . 9 C H3' . 26568 1 139 . 1 1 9 9 C H4' H 1 4.47 . . 1 . 148 . . 9 C H4' . 26568 1 140 . 1 1 9 9 C H5 H 1 5.73 . . 1 . 151 . . 9 C H5 . 26568 1 141 . 1 1 9 9 C H5' H 1 4.19 . . 2 . 149 . . 9 C H5' . 26568 1 142 . 1 1 9 9 C H5'' H 1 4.50 . . 2 . 150 . . 9 C H5'' . 26568 1 143 . 1 1 9 9 C H6 H 1 7.82 . . 1 . 152 . . 9 C H6 . 26568 1 144 . 1 1 9 9 C C1' C 13 90.70 . . 1 . 141 . . 9 C C1' . 26568 1 145 . 1 1 9 9 C C2' C 13 73.00 . . 1 . 140 . . 9 C C2' . 26568 1 146 . 1 1 9 9 C C3' C 13 70.90 . . 1 . 139 . . 9 C C3' . 26568 1 147 . 1 1 9 9 C C4' C 13 80.00 . . 1 . 138 . . 9 C C4' . 26568 1 148 . 1 1 9 9 C C5 C 13 95.55 . . 1 . 143 . . 9 C C5 . 26568 1 149 . 1 1 9 9 C C5' C 13 62.80 . . 1 . 137 . . 9 C C5' . 26568 1 150 . 1 1 9 9 C C6 C 13 139.00 . . 1 . 144 . . 9 C C6 . 26568 1 151 . 1 1 9 9 C N1 N 15 150.40 . . 1 . 142 . . 9 C N1 . 26568 1 152 . 1 1 9 9 C P P 31 -4.45 . . 1 . 136 . . 9 C P . 26568 1 153 . 1 1 10 10 G H1' H 1 5.50 . . 1 . 161 . . 10 G H1' . 26568 1 154 . 1 1 10 10 G H2' H 1 4.60 . . 1 . 162 . . 10 G H2' . 26568 1 155 . 1 1 10 10 G H3' H 1 4.64 . . 1 . 163 . . 10 G H3' . 26568 1 156 . 1 1 10 10 G H4' H 1 4.50 . . 1 . 164 . . 10 G H4' . 26568 1 157 . 1 1 10 10 G H5' H 1 4.43 . . 2 . 165 . . 10 G H5' . 26568 1 158 . 1 1 10 10 G H5'' H 1 4.23 . . 2 . 166 . . 10 G H5'' . 26568 1 159 . 1 1 10 10 G H8 H 1 7.66 . . 1 . 167 . . 10 G H8 . 26568 1 160 . 1 1 10 10 G C1' C 13 88.60 . . 1 . 158 . . 10 G C1' . 26568 1 161 . 1 1 10 10 G C2' C 13 72.50 . . 1 . 157 . . 10 G C2' . 26568 1 162 . 1 1 10 10 G C3' C 13 72.30 . . 1 . 156 . . 10 G C3' . 26568 1 163 . 1 1 10 10 G C4' C 13 80.90 . . 1 . 155 . . 10 G C4' . 26568 1 164 . 1 1 10 10 G C5' C 13 63.80 . . 1 . 154 . . 10 G C5' . 26568 1 165 . 1 1 10 10 G C8 C 13 135.30 . . 1 . 160 . . 10 G C8 . 26568 1 166 . 1 1 10 10 G N9 N 15 168.70 . . 1 . 159 . . 10 G N9 . 26568 1 167 . 1 1 10 10 G P P 31 -4.13 . . 1 . 153 . . 10 G P . 26568 1 168 . 1 1 11 11 A H1' H 1 5.83 . . 1 . 177 . . 11 A H1' . 26568 1 169 . 1 1 11 11 A H2 H 1 7.97 . . 1 . 183 . . 11 A H2 . 26568 1 170 . 1 1 11 11 A H2' H 1 4.64 . . 1 . 178 . . 11 A H2' . 26568 1 171 . 1 1 11 11 A H3' H 1 4.76 . . 1 . 179 . . 11 A H3' . 26568 1 172 . 1 1 11 11 A H4' H 1 4.51 . . 1 . 180 . . 11 A H4' . 26568 1 173 . 1 1 11 11 A H5' H 1 4.43 . . 2 . 181 . . 11 A H5' . 26568 1 174 . 1 1 11 11 A H5'' H 1 4.23 . . 2 . 182 . . 11 A H5'' . 26568 1 175 . 1 1 11 11 A H8 H 1 8.02 . . 1 . 184 . . 11 A H8 . 26568 1 176 . 1 1 11 11 A C1' C 13 89.00 . . 1 . 173 . . 11 A C1' . 26568 1 177 . 1 1 11 11 A C2 C 13 151.90 . . 1 . 176 . . 11 A C2 . 26568 1 178 . 1 1 11 11 A C2' C 13 73.50 . . 1 . 172 . . 11 A C2' . 26568 1 179 . 1 1 11 11 A C3' C 13 71.30 . . 1 . 171 . . 11 A C3' . 26568 1 180 . 1 1 11 11 A C4' C 13 81.00 . . 1 . 170 . . 11 A C4' . 26568 1 181 . 1 1 11 11 A C5' C 13 63.50 . . 1 . 169 . . 11 A C5' . 26568 1 182 . 1 1 11 11 A C8 C 13 137.70 . . 1 . 175 . . 11 A C8 . 26568 1 183 . 1 1 11 11 A N9 N 15 169.10 . . 1 . 174 . . 11 A N9 . 26568 1 184 . 1 1 11 11 A P P 31 -4.09 . . 1 . 168 . . 11 A P . 26568 1 185 . 1 1 12 12 G H1' H 1 5.61 . . 1 . 193 . . 12 G H1' . 26568 1 186 . 1 1 12 12 G H2' H 1 4.55 . . 1 . 194 . . 12 G H2' . 26568 1 187 . 1 1 12 12 G H3' H 1 4.71 . . 1 . 195 . . 12 G H3' . 26568 1 188 . 1 1 12 12 G H4' H 1 4.45 . . 1 . 196 . . 12 G H4' . 26568 1 189 . 1 1 12 12 G H5' H 1 4.41 . . 2 . 197 . . 12 G H5' . 26568 1 190 . 1 1 12 12 G H5'' H 1 4.20 . . 2 . 198 . . 12 G H5'' . 26568 1 191 . 1 1 12 12 G H8 H 1 7.66 . . 1 . 199 . . 12 G H8 . 26568 1 192 . 1 1 12 12 G C1' C 13 88.80 . . 1 . 190 . . 12 G C1' . 26568 1 193 . 1 1 12 12 G C2' C 13 72.70 . . 1 . 189 . . 12 G C2' . 26568 1 194 . 1 1 12 12 G C3' C 13 72.50 . . 1 . 188 . . 12 G C3' . 26568 1 195 . 1 1 12 12 G C4' C 13 81.20 . . 1 . 187 . . 12 G C4' . 26568 1 196 . 1 1 12 12 G C5' C 13 63.80 . . 1 . 186 . . 12 G C5' . 26568 1 197 . 1 1 12 12 G C8 C 13 135.30 . . 1 . 192 . . 12 G C8 . 26568 1 198 . 1 1 12 12 G N9 N 15 168.70 . . 1 . 191 . . 12 G N9 . 26568 1 199 . 1 1 12 12 G P P 31 -4.08 . . 1 . 185 . . 12 G P . 26568 1 200 . 1 1 13 13 C H1' H 1 5.73 . . 1 . 208 . . 13 C H1' . 26568 1 201 . 1 1 13 13 C H2' H 1 4.45 . . 1 . 209 . . 13 C H2' . 26568 1 202 . 1 1 13 13 C H3' H 1 4.61 . . 1 . 210 . . 13 C H3' . 26568 1 203 . 1 1 13 13 C H4' H 1 4.42 . . 1 . 211 . . 13 C H4' . 26568 1 204 . 1 1 13 13 C H5 H 1 5.57 . . 1 . 213 . . 13 C H5 . 26568 1 205 . 1 1 13 13 C H5' H 1 4.20 . . 1 . 212 . . 13 C H5' . 26568 1 206 . 1 1 13 13 C H6 H 1 7.65 . . 1 . 214 . . 13 C H6 . 26568 1 207 . 1 1 13 13 C C1' C 13 90.16 . . 1 . 205 . . 13 C C1' . 26568 1 208 . 1 1 13 13 C C2' C 13 73.00 . . 1 . 204 . . 13 C C2' . 26568 1 209 . 1 1 13 13 C C3' C 13 71.80 . . 1 . 203 . . 13 C C3' . 26568 1 210 . 1 1 13 13 C C4' C 13 81.00 . . 1 . 202 . . 13 C C4' . 26568 1 211 . 1 1 13 13 C C5 C 13 95.50 . . 1 . 206 . . 13 C C5 . 26568 1 212 . 1 1 13 13 C C5' C 13 63.80 . . 1 . 201 . . 13 C C5' . 26568 1 213 . 1 1 13 13 C C6 C 13 139.20 . . 1 . 207 . . 13 C C6 . 26568 1 214 . 1 1 13 13 C P P 31 -4.23 . . 1 . 200 . . 13 C P . 26568 1 215 . 1 1 14 14 A H1' H 1 6.03 . . 1 . 224 . . 14 A H1' . 26568 1 216 . 1 1 14 14 A H2 H 1 7.91 . . 1 . 230 . . 14 A H2 . 26568 1 217 . 1 1 14 14 A H2' H 1 4.61 . . 1 . 225 . . 14 A H2' . 26568 1 218 . 1 1 14 14 A H3' H 1 4.76 . . 1 . 226 . . 14 A H3' . 26568 1 219 . 1 1 14 14 A H4' H 1 4.58 . . 1 . 227 . . 14 A H4' . 26568 1 220 . 1 1 14 14 A H5' H 1 4.46 . . 2 . 228 . . 14 A H5' . 26568 1 221 . 1 1 14 14 A H5'' H 1 4.26 . . 2 . 229 . . 14 A H5'' . 26568 1 222 . 1 1 14 14 A H8 H 1 8.29 . . 1 . 231 . . 14 A H8 . 26568 1 223 . 1 1 14 14 A C1' C 13 88.70 . . 1 . 220 . . 14 A C1' . 26568 1 224 . 1 1 14 14 A C2 C 13 152.10 . . 1 . 223 . . 14 A C2 . 26568 1 225 . 1 1 14 14 A C2' C 13 73.70 . . 1 . 219 . . 14 A C2' . 26568 1 226 . 1 1 14 14 A C3' C 13 72.50 . . 1 . 218 . . 14 A C3' . 26568 1 227 . 1 1 14 14 A C4' C 13 81.20 . . 1 . 217 . . 14 A C4' . 26568 1 228 . 1 1 14 14 A C5' C 13 63.50 . . 1 . 216 . . 14 A C5' . 26568 1 229 . 1 1 14 14 A C8 C 13 138.20 . . 1 . 222 . . 14 A C8 . 26568 1 230 . 1 1 14 14 A N9 N 15 169.10 . . 1 . 221 . . 14 A N9 . 26568 1 231 . 1 1 14 14 A P P 31 -4.08 . . 1 . 215 . . 14 A P . 26568 1 232 . 1 1 15 15 U H1' H 1 5.64 . . 1 . 241 . . 15 U H1' . 26568 1 233 . 1 1 15 15 U H2' H 1 4.30 . . 1 . 242 . . 15 U H2' . 26568 1 234 . 1 1 15 15 U H3' H 1 4.56 . . 1 . 243 . . 15 U H3' . 26568 1 235 . 1 1 15 15 U H4' H 1 4.37 . . 1 . 244 . . 15 U H4' . 26568 1 236 . 1 1 15 15 U H5 H 1 5.56 . . 1 . 248 . . 15 U H5 . 26568 1 237 . 1 1 15 15 U H5' H 1 4.16 . . 2 . 245 . . 15 U H5' . 26568 1 238 . 1 1 15 15 U H5'' H 1 4.37 . . 2 . 246 . . 15 U H5'' . 26568 1 239 . 1 1 15 15 U H6 H 1 7.62 . . 1 . 247 . . 15 U H6 . 26568 1 240 . 1 1 15 15 U C1' C 13 88.50 . . 1 . 237 . . 15 U C1' . 26568 1 241 . 1 1 15 15 U C2' C 13 73.00 . . 1 . 236 . . 15 U C2' . 26568 1 242 . 1 1 15 15 U C3' C 13 73.20 . . 1 . 235 . . 15 U C3' . 26568 1 243 . 1 1 15 15 U C4' C 13 81.80 . . 1 . 234 . . 15 U C4' . 26568 1 244 . 1 1 15 15 U C5 C 13 102.00 . . 1 . 239 . . 15 U C5 . 26568 1 245 . 1 1 15 15 U C5' C 13 64.00 . . 1 . 233 . . 15 U C5' . 26568 1 246 . 1 1 15 15 U C6 C 13 139.80 . . 1 . 240 . . 15 U C6 . 26568 1 247 . 1 1 15 15 U N1 N 15 143.60 . . 1 . 238 . . 15 U N1 . 26568 1 248 . 1 1 15 15 U P P 31 -4.33 . . 1 . 232 . . 15 U P . 26568 1 249 . 1 1 16 16 C H1' H 1 5.83 . . 1 . 258 . . 16 C H1' . 26568 1 250 . 1 1 16 16 C H2' H 1 4.36 . . 1 . 259 . . 16 C H2' . 26568 1 251 . 1 1 16 16 C H3' H 1 4.58 . . 1 . 260 . . 16 C H3' . 26568 1 252 . 1 1 16 16 C H4' H 1 4.35 . . 1 . 261 . . 16 C H4' . 26568 1 253 . 1 1 16 16 C H5 H 1 5.91 . . 1 . 264 . . 16 C H5 . 26568 1 254 . 1 1 16 16 C H5' H 1 4.20 . . 2 . 262 . . 16 C H5' . 26568 1 255 . 1 1 16 16 C H5'' H 1 4.08 . . 2 . 263 . . 16 C H5'' . 26568 1 256 . 1 1 16 16 C H6 H 1 7.77 . . 1 . 265 . . 16 C H6 . 26568 1 257 . 1 1 16 16 C C1' C 13 89.07 . . 1 . 254 . . 16 C C1' . 26568 1 258 . 1 1 16 16 C C2' C 13 73.50 . . 1 . 253 . . 16 C C2' . 26568 1 259 . 1 1 16 16 C C3' C 13 73.50 . . 1 . 252 . . 16 C C3' . 26568 1 260 . 1 1 16 16 C C4' C 13 81.45 . . 1 . 251 . . 16 C C4' . 26568 1 261 . 1 1 16 16 C C5 C 13 96.10 . . 1 . 256 . . 16 C C5 . 26568 1 262 . 1 1 16 16 C C5' C 13 64.30 . . 1 . 250 . . 16 C C5' . 26568 1 263 . 1 1 16 16 C C6 C 13 140.50 . . 1 . 257 . . 16 C C6 . 26568 1 264 . 1 1 16 16 C N1 N 15 150.60 . . 1 . 255 . . 16 C N1 . 26568 1 265 . 1 1 16 16 C P P 31 -4.25 . . 1 . 249 . . 16 C P . 26568 1 266 . 1 1 17 17 A H1' H 1 5.89 . . 1 . 275 . . 17 A H1' . 26568 1 267 . 1 1 17 17 A H2 H 1 7.92 . . 1 . 281 . . 17 A H2 . 26568 1 268 . 1 1 17 17 A H2' H 1 4.78 . . 1 . 276 . . 17 A H2' . 26568 1 269 . 1 1 17 17 A H3' H 1 4.92 . . 1 . 277 . . 17 A H3' . 26568 1 270 . 1 1 17 17 A H4' H 1 4.52 . . 1 . 278 . . 17 A H4' . 26568 1 271 . 1 1 17 17 A H5' H 1 4.28 . . 2 . 279 . . 17 A H5' . 26568 1 272 . 1 1 17 17 A H5'' H 1 4.17 . . 2 . 280 . . 17 A H5'' . 26568 1 273 . 1 1 17 17 A H8 H 1 8.31 . . 1 . 282 . . 17 A H8 . 26568 1 274 . 1 1 17 17 A C1' C 13 88.00 . . 1 . 271 . . 17 A C1' . 26568 1 275 . 1 1 17 17 A C2 C 13 152.30 . . 1 . 274 . . 17 A C2 . 26568 1 276 . 1 1 17 17 A C2' C 13 73.45 . . 1 . 270 . . 17 A C2' . 26568 1 277 . 1 1 17 17 A C3' C 13 73.50 . . 1 . 269 . . 17 A C3' . 26568 1 278 . 1 1 17 17 A C4' C 13 81.90 . . 1 . 268 . . 17 A C4' . 26568 1 279 . 1 1 17 17 A C5' C 13 64.30 . . 1 . 267 . . 17 A C5' . 26568 1 280 . 1 1 17 17 A C8 C 13 139.10 . . 1 . 273 . . 17 A C8 . 26568 1 281 . 1 1 17 17 A N9 N 15 168.30 . . 1 . 272 . . 17 A N9 . 26568 1 282 . 1 1 17 17 A P P 31 -4.08 . . 1 . 266 . . 17 A P . 26568 1 283 . 1 1 18 18 A H1' H 1 5.91 . . 1 . 292 . . 18 A H1' . 26568 1 284 . 1 1 18 18 A H2 H 1 8.10 . . 1 . 298 . . 18 A H2 . 26568 1 285 . 1 1 18 18 A H2' H 1 4.67 . . 1 . 293 . . 18 A H2' . 26568 1 286 . 1 1 18 18 A H3' H 1 4.82 . . 1 . 294 . . 18 A H3' . 26568 1 287 . 1 1 18 18 A H4' H 1 4.50 . . 1 . 295 . . 18 A H4' . 26568 1 288 . 1 1 18 18 A H5' H 1 4.34 . . 2 . 296 . . 18 A H5' . 26568 1 289 . 1 1 18 18 A H5'' H 1 4.24 . . 2 . 297 . . 18 A H5'' . 26568 1 290 . 1 1 18 18 A H8 H 1 8.20 . . 1 . 299 . . 18 A H8 . 26568 1 291 . 1 1 18 18 A C1' C 13 87.75 . . 1 . 288 . . 18 A C1' . 26568 1 292 . 1 1 18 18 A C2 C 13 152.50 . . 1 . 291 . . 18 A C2 . 26568 1 293 . 1 1 18 18 A C2' C 13 74.15 . . 1 . 287 . . 18 A C2' . 26568 1 294 . 1 1 18 18 A C3' C 13 74.10 . . 1 . 286 . . 18 A C3' . 26568 1 295 . 1 1 18 18 A C4' C 13 82.10 . . 1 . 285 . . 18 A C4' . 26568 1 296 . 1 1 18 18 A C5' C 13 64.50 . . 1 . 284 . . 18 A C5' . 26568 1 297 . 1 1 18 18 A C8 C 13 138.70 . . 1 . 290 . . 18 A C8 . 26568 1 298 . 1 1 18 18 A N9 N 15 168.30 . . 1 . 289 . . 18 A N9 . 26568 1 299 . 1 1 18 18 A P P 31 -3.85 . . 1 . 283 . . 18 A P . 26568 1 300 . 1 1 19 19 G H1' H 1 5.55 . . 1 . 308 . . 19 G H1' . 26568 1 301 . 1 1 19 19 G H2' H 1 4.66 . . 1 . 309 . . 19 G H2' . 26568 1 302 . 1 1 19 19 G H3' H 1 4.77 . . 1 . 310 . . 19 G H3' . 26568 1 303 . 1 1 19 19 G H4' H 1 4.51 . . 1 . 311 . . 19 G H4' . 26568 1 304 . 1 1 19 19 G H5' H 1 4.36 . . 2 . 312 . . 19 G H5' . 26568 1 305 . 1 1 19 19 G H5'' H 1 4.26 . . 2 . 313 . . 19 G H5'' . 26568 1 306 . 1 1 19 19 G H8 H 1 7.82 . . 1 . 314 . . 19 G H8 . 26568 1 307 . 1 1 19 19 G C1' C 13 88.20 . . 1 . 305 . . 19 G C1' . 26568 1 308 . 1 1 19 19 G C2' C 13 72.50 . . 1 . 304 . . 19 G C2' . 26568 1 309 . 1 1 19 19 G C3' C 13 73.45 . . 1 . 303 . . 19 G C3' . 26568 1 310 . 1 1 19 19 G C4' C 13 81.70 . . 1 . 302 . . 19 G C4' . 26568 1 311 . 1 1 19 19 G C5' C 13 64.60 . . 1 . 301 . . 19 G C5' . 26568 1 312 . 1 1 19 19 G C8 C 13 136.30 . . 1 . 307 . . 19 G C8 . 26568 1 313 . 1 1 19 19 G N9 N 15 167.90 . . 1 . 306 . . 19 G N9 . 26568 1 314 . 1 1 19 19 G P P 31 -4.06 . . 1 . 300 . . 19 G P . 26568 1 315 . 1 1 20 20 A H1' H 1 5.98 . . 1 . 324 . . 20 A H1' . 26568 1 316 . 1 1 20 20 A H2 H 1 7.99 . . 1 . 330 . . 20 A H2 . 26568 1 317 . 1 1 20 20 A H2' H 1 4.67 . . 1 . 325 . . 20 A H2' . 26568 1 318 . 1 1 20 20 A H3' H 1 4.80 . . 1 . 326 . . 20 A H3' . 26568 1 319 . 1 1 20 20 A H4' H 1 4.59 . . 1 . 327 . . 20 A H4' . 26568 1 320 . 1 1 20 20 A H5' H 1 4.44 . . 2 . 328 . . 20 A H5' . 26568 1 321 . 1 1 20 20 A H5'' H 1 4.26 . . 2 . 329 . . 20 A H5'' . 26568 1 322 . 1 1 20 20 A H8 H 1 8.18 . . 1 . 331 . . 20 A H8 . 26568 1 323 . 1 1 20 20 A C1' C 13 88.40 . . 1 . 320 . . 20 A C1' . 26568 1 324 . 1 1 20 20 A C2 C 13 152.20 . . 1 . 323 . . 20 A C2 . 26568 1 325 . 1 1 20 20 A C2' C 13 73.60 . . 1 . 319 . . 20 A C2' . 26568 1 326 . 1 1 20 20 A C3' C 13 72.80 . . 1 . 318 . . 20 A C3' . 26568 1 327 . 1 1 20 20 A C4' C 13 81.30 . . 1 . 317 . . 20 A C4' . 26568 1 328 . 1 1 20 20 A C5' C 13 64.00 . . 1 . 316 . . 20 A C5' . 26568 1 329 . 1 1 20 20 A C8 C 13 138.30 . . 1 . 322 . . 20 A C8 . 26568 1 330 . 1 1 20 20 A N9 N 15 168.50 . . 1 . 321 . . 20 A N9 . 26568 1 331 . 1 1 20 20 A P P 31 -4.06 . . 1 . 315 . . 20 A P . 26568 1 332 . 1 1 21 21 G H1' H 1 5.66 . . 1 . 339 . . 21 G H1' . 26568 1 333 . 1 1 21 21 G H2' H 1 4.62 . . 1 . 340 . . 21 G H2' . 26568 1 334 . 1 1 21 21 G H3' H 1 4.66 . . 1 . 341 . . 21 G H3' . 26568 1 335 . 1 1 21 21 G H4' H 1 4.51 . . 1 . 342 . . 21 G H4' . 26568 1 336 . 1 1 21 21 G H5' H 1 4.24 . . 1 . 343 . . 21 G H5' . 26568 1 337 . 1 1 21 21 G H8 H 1 7.75 . . 1 . 344 . . 21 G H8 . 26568 1 338 . 1 1 21 21 G C1' C 13 88.70 . . 1 . 336 . . 21 G C1' . 26568 1 339 . 1 1 21 21 G C2' C 13 73.00 . . 1 . 335 . . 21 G C2' . 26568 1 340 . 1 1 21 21 G C3' C 13 72.00 . . 1 . 334 . . 21 G C3' . 26568 1 341 . 1 1 21 21 G C4' C 13 81.20 . . 1 . 333 . . 21 G C4' . 26568 1 342 . 1 1 21 21 G C8 C 13 135.60 . . 1 . 338 . . 21 G C8 . 26568 1 343 . 1 1 21 21 G N9 N 15 168.70 . . 1 . 337 . . 21 G N9 . 26568 1 344 . 1 1 21 21 G P P 31 -0.66 . . 1 . 332 . . 21 G P . 26568 1 345 . 1 1 22 22 U H1' H 1 5.75 . . 1 . 353 . . 22 U H1' . 26568 1 346 . 1 1 22 22 U H2' H 1 4.39 . . 1 . 354 . . 22 U H2' . 26568 1 347 . 1 1 22 22 U H3' H 1 4.70 . . 1 . 355 . . 22 U H3' . 26568 1 348 . 1 1 22 22 U H4' H 1 4.41 . . 1 . 356 . . 22 U H4' . 26568 1 349 . 1 1 22 22 U H5 H 1 5.51 . . 1 . 360 . . 22 U H5 . 26568 1 350 . 1 1 22 22 U H5' H 1 4.41 . . 2 . 357 . . 22 U H5' . 26568 1 351 . 1 1 22 22 U H5'' H 1 4.23 . . 2 . 358 . . 22 U H5'' . 26568 1 352 . 1 1 22 22 U H6 H 1 7.75 . . 1 . 359 . . 22 U H6 . 26568 1 353 . 1 1 22 22 U C1' C 13 89.07 . . 1 . 349 . . 22 U C1' . 26568 1 354 . 1 1 22 22 U C2' C 13 72.70 . . 1 . 348 . . 22 U C2' . 26568 1 355 . 1 1 22 22 U C3' C 13 72.50 . . 1 . 347 . . 22 U C3' . 26568 1 356 . 1 1 22 22 U C4' C 13 81.20 . . 1 . 346 . . 22 U C4' . 26568 1 357 . 1 1 22 22 U C5 C 13 102.10 . . 1 . 351 . . 22 U C5 . 26568 1 358 . 1 1 22 22 U C5' C 13 64.00 . . 1 . 345 . . 22 U C5' . 26568 1 359 . 1 1 22 22 U C6 C 13 139.50 . . 1 . 352 . . 22 U C6 . 26568 1 360 . 1 1 22 22 U N1 N 15 146.10 . . 1 . 350 . . 22 U N1 . 26568 1 361 . 1 1 23 23 G H1' H 1 5.84 . . 1 . 369 . . 23 G H1' . 26568 1 362 . 1 1 23 23 G H2' H 1 4.77 . . 1 . 370 . . 23 G H2' . 26568 1 363 . 1 1 23 23 G H3' H 1 4.88 . . 1 . 371 . . 23 G H3' . 26568 1 364 . 1 1 23 23 G H4' H 1 4.62 . . 1 . 372 . . 23 G H4' . 26568 1 365 . 1 1 23 23 G H5' H 1 4.32 . . 2 . 373 . . 23 G H5' . 26568 1 366 . 1 1 23 23 G H5'' H 1 4.24 . . 2 . 374 . . 23 G H5'' . 26568 1 367 . 1 1 23 23 G H8 H 1 8.05 . . 1 . 375 . . 23 G H8 . 26568 1 368 . 1 1 23 23 G C1' C 13 86.80 . . 1 . 366 . . 23 G C1' . 26568 1 369 . 1 1 23 23 G C2' C 13 73.45 . . 1 . 365 . . 23 G C2' . 26568 1 370 . 1 1 23 23 G C3' C 13 73.90 . . 1 . 364 . . 23 G C3' . 26568 1 371 . 1 1 23 23 G C4' C 13 82.40 . . 1 . 363 . . 23 G C4' . 26568 1 372 . 1 1 23 23 G C5' C 13 64.20 . . 1 . 362 . . 23 G C5' . 26568 1 373 . 1 1 23 23 G C8 C 13 135.80 . . 1 . 368 . . 23 G C8 . 26568 1 374 . 1 1 23 23 G N9 N 15 167.30 . . 1 . 367 . . 23 G N9 . 26568 1 375 . 1 1 23 23 G P P 31 -4.25 . . 1 . 361 . . 23 G P . 26568 1 376 . 1 1 24 24 A H1' H 1 5.69 . . 1 . 384 . . 24 A H1' . 26568 1 377 . 1 1 24 24 A H2 H 1 7.92 . . 1 . 389 . . 24 A H2 . 26568 1 378 . 1 1 24 24 A H2' H 1 4.66 . . 1 . 385 . . 24 A H2' . 26568 1 379 . 1 1 24 24 A H3' H 1 4.61 . . 1 . 386 . . 24 A H3' . 26568 1 380 . 1 1 24 24 A H4' H 1 4.41 . . 1 . 387 . . 24 A H4' . 26568 1 381 . 1 1 24 24 A H5' H 1 4.20 . . 1 . 388 . . 24 A H5' . 26568 1 382 . 1 1 24 24 A H8 H 1 8.25 . . 1 . 390 . . 24 A H8 . 26568 1 383 . 1 1 24 24 A C1' C 13 89.70 . . 1 . 380 . . 24 A C1' . 26568 1 384 . 1 1 24 24 A C2 C 13 152.10 . . 1 . 383 . . 24 A C2 . 26568 1 385 . 1 1 24 24 A C2' C 13 72.70 . . 1 . 379 . . 24 A C2' . 26568 1 386 . 1 1 24 24 A C3' C 13 71.68 . . 1 . 378 . . 24 A C3' . 26568 1 387 . 1 1 24 24 A C4' C 13 80.00 . . 1 . 377 . . 24 A C4' . 26568 1 388 . 1 1 24 24 A C8 C 13 138.80 . . 1 . 382 . . 24 A C8 . 26568 1 389 . 1 1 24 24 A N9 N 15 168.30 . . 1 . 381 . . 24 A N9 . 26568 1 390 . 1 1 24 24 A P P 31 -4.14 . . 1 . 376 . . 24 A P . 26568 1 391 . 1 1 25 25 A H1' H 1 6.02 . . 1 . 400 . . 25 A H1' . 26568 1 392 . 1 1 25 25 A H2 H 1 7.87 . . 1 . 406 . . 25 A H2 . 26568 1 393 . 1 1 25 25 A H2' H 1 4.78 . . 1 . 401 . . 25 A H2' . 26568 1 394 . 1 1 25 25 A H3' H 1 4.75 . . 1 . 402 . . 25 A H3' . 26568 1 395 . 1 1 25 25 A H4' H 1 4.66 . . 1 . 403 . . 25 A H4' . 26568 1 396 . 1 1 25 25 A H5' H 1 4.50 . . 2 . 404 . . 25 A H5' . 26568 1 397 . 1 1 25 25 A H5'' H 1 4.29 . . 2 . 405 . . 25 A H5'' . 26568 1 398 . 1 1 25 25 A H8 H 1 8.03 . . 1 . 407 . . 25 A H8 . 26568 1 399 . 1 1 25 25 A C1' C 13 88.60 . . 1 . 396 . . 25 A C1' . 26568 1 400 . 1 1 25 25 A C2 C 13 151.40 . . 1 . 399 . . 25 A C2 . 26568 1 401 . 1 1 25 25 A C2' C 13 73.30 . . 1 . 395 . . 25 A C2' . 26568 1 402 . 1 1 25 25 A C3' C 13 72.70 . . 1 . 394 . . 25 A C3' . 26568 1 403 . 1 1 25 25 A C4' C 13 81.40 . . 1 . 393 . . 25 A C4' . 26568 1 404 . 1 1 25 25 A C5' C 13 63.80 . . 1 . 392 . . 25 A C5' . 26568 1 405 . 1 1 25 25 A C8 C 13 137.70 . . 1 . 398 . . 25 A C8 . 26568 1 406 . 1 1 25 25 A N9 N 15 169.10 . . 1 . 397 . . 25 A N9 . 26568 1 407 . 1 1 25 25 A P P 31 -4.48 . . 1 . 391 . . 25 A P . 26568 1 408 . 1 1 26 26 U H1' H 1 5.62 . . 1 . 418 . . 26 U H1' . 26568 1 409 . 1 1 26 26 U H2' H 1 4.56 . . 1 . 419 . . 26 U H2' . 26568 1 410 . 1 1 26 26 U H3 H 1 13.35 . . 1 . 424 . . 26 U H3 . 26568 1 411 . 1 1 26 26 U H3' H 1 4.59 . . 1 . 420 . . 26 U H3' . 26568 1 412 . 1 1 26 26 U H4' H 1 4.59 . . 1 . 421 . . 26 U H4' . 26568 1 413 . 1 1 26 26 U H5 H 1 5.16 . . 1 . 426 . . 26 U H5 . 26568 1 414 . 1 1 26 26 U H5' H 1 4.59 . . 2 . 422 . . 26 U H5' . 26568 1 415 . 1 1 26 26 U H5'' H 1 4.26 . . 2 . 423 . . 26 U H5'' . 26568 1 416 . 1 1 26 26 U H6 H 1 7.67 . . 1 . 425 . . 26 U H6 . 26568 1 417 . 1 1 26 26 U C1' C 13 90.50 . . 1 . 413 . . 26 U C1' . 26568 1 418 . 1 1 26 26 U C2' C 13 72.90 . . 1 . 412 . . 26 U C2' . 26568 1 419 . 1 1 26 26 U C3' C 13 70.40 . . 1 . 411 . . 26 U C3' . 26568 1 420 . 1 1 26 26 U C4' C 13 79.80 . . 1 . 410 . . 26 U C4' . 26568 1 421 . 1 1 26 26 U C5 C 13 100.50 . . 1 . 416 . . 26 U C5 . 26568 1 422 . 1 1 26 26 U C5' C 13 62.80 . . 1 . 409 . . 26 U C5' . 26568 1 423 . 1 1 26 26 U C6 C 13 139.00 . . 1 . 417 . . 26 U C6 . 26568 1 424 . 1 1 26 26 U N1 N 15 145.50 . . 1 . 414 . . 26 U N1 . 26568 1 425 . 1 1 26 26 U N3 N 15 161.90 . . 1 . 415 . . 26 U N3 . 26568 1 426 . 1 1 26 26 U P P 31 -4.25 . . 1 . 408 . . 26 U P . 26568 1 427 . 1 1 27 27 A H1' H 1 6.12 . . 1 . 436 . . 27 A H1' . 26568 1 428 . 1 1 27 27 A H2 H 1 7.28 . . 1 . 442 . . 27 A H2 . 26568 1 429 . 1 1 27 27 A H2' H 1 4.59 . . 1 . 437 . . 27 A H2' . 26568 1 430 . 1 1 27 27 A H3' H 1 4.74 . . 1 . 438 . . 27 A H3' . 26568 1 431 . 1 1 27 27 A H4' H 1 4.63 . . 1 . 439 . . 27 A H4' . 26568 1 432 . 1 1 27 27 A H5' H 1 4.28 . . 2 . 440 . . 27 A H5' . 26568 1 433 . 1 1 27 27 A H5'' H 1 4.65 . . 2 . 441 . . 27 A H5'' . 26568 1 434 . 1 1 27 27 A H8 H 1 8.25 . . 1 . 443 . . 27 A H8 . 26568 1 435 . 1 1 27 27 A C1' C 13 90.16 . . 1 . 432 . . 27 A C1' . 26568 1 436 . 1 1 27 27 A C2 C 13 150.60 . . 1 . 435 . . 27 A C2 . 26568 1 437 . 1 1 27 27 A C2' C 13 73.00 . . 1 . 431 . . 27 A C2' . 26568 1 438 . 1 1 27 27 A C3' C 13 70.60 . . 1 . 430 . . 27 A C3' . 26568 1 439 . 1 1 27 27 A C4' C 13 79.75 . . 1 . 429 . . 27 A C4' . 26568 1 440 . 1 1 27 27 A C5' C 13 62.80 . . 1 . 428 . . 27 A C5' . 26568 1 441 . 1 1 27 27 A C8 C 13 137.30 . . 1 . 434 . . 27 A C8 . 26568 1 442 . 1 1 27 27 A N9 N 15 170.80 . . 1 . 433 . . 27 A N9 . 26568 1 443 . 1 1 27 27 A P P 31 -4.48 . . 1 . 427 . . 27 A P . 26568 1 444 . 1 1 28 28 U H1' H 1 5.57 . . 1 . 454 . . 28 U H1' . 26568 1 445 . 1 1 28 28 U H2' H 1 4.43 . . 1 . 455 . . 28 U H2' . 26568 1 446 . 1 1 28 28 U H3 H 1 14.06 . . 1 . 460 . . 28 U H3 . 26568 1 447 . 1 1 28 28 U H3' H 1 4.51 . . 1 . 456 . . 28 U H3' . 26568 1 448 . 1 1 28 28 U H4' H 1 4.53 . . 1 . 457 . . 28 U H4' . 26568 1 449 . 1 1 28 28 U H5 H 1 5.10 . . 1 . 462 . . 28 U H5 . 26568 1 450 . 1 1 28 28 U H5' H 1 4.65 . . 2 . 458 . . 28 U H5' . 26568 1 451 . 1 1 28 28 U H5'' H 1 4.20 . . 2 . 459 . . 28 U H5'' . 26568 1 452 . 1 1 28 28 U H6 H 1 7.72 . . 1 . 461 . . 28 U H6 . 26568 1 453 . 1 1 28 28 U C1' C 13 90.70 . . 1 . 449 . . 28 U C1' . 26568 1 454 . 1 1 28 28 U C2' C 13 73.00 . . 1 . 448 . . 28 U C2' . 26568 1 455 . 1 1 28 28 U C3' C 13 69.80 . . 1 . 447 . . 28 U C3' . 26568 1 456 . 1 1 28 28 U C4' C 13 79.10 . . 1 . 446 . . 28 U C4' . 26568 1 457 . 1 1 28 28 U C5 C 13 99.96 . . 1 . 452 . . 28 U C5 . 26568 1 458 . 1 1 28 28 U C5' C 13 61.90 . . 1 . 445 . . 28 U C5' . 26568 1 459 . 1 1 28 28 U C6 C 13 138.93 . . 1 . 453 . . 28 U C6 . 26568 1 460 . 1 1 28 28 U N1 N 15 146.10 . . 1 . 450 . . 28 U N1 . 26568 1 461 . 1 1 28 28 U N3 N 15 162.30 . . 1 . 451 . . 28 U N3 . 26568 1 462 . 1 1 28 28 U P P 31 -4.63 . . 1 . 444 . . 28 U P . 26568 1 463 . 1 1 29 29 C H1' H 1 5.67 . . 1 . 472 . . 29 C H1' . 26568 1 464 . 1 1 29 29 C H2' H 1 4.64 . . 1 . 473 . . 29 C H2' . 26568 1 465 . 1 1 29 29 C H3' H 1 4.61 . . 1 . 474 . . 29 C H3' . 26568 1 466 . 1 1 29 29 C H4' H 1 4.53 . . 1 . 475 . . 29 C H4' . 26568 1 467 . 1 1 29 29 C H5 H 1 5.67 . . 1 . 478 . . 29 C H5 . 26568 1 468 . 1 1 29 29 C H5' H 1 4.59 . . 2 . 476 . . 29 C H5' . 26568 1 469 . 1 1 29 29 C H5'' H 1 4.21 . . 2 . 477 . . 29 C H5'' . 26568 1 470 . 1 1 29 29 C H6 H 1 7.87 . . 1 . 479 . . 29 C H6 . 26568 1 471 . 1 1 29 29 C C1' C 13 90.90 . . 1 . 468 . . 29 C C1' . 26568 1 472 . 1 1 29 29 C C2' C 13 73.00 . . 1 . 467 . . 29 C C2' . 26568 1 473 . 1 1 29 29 C C3' C 13 70.15 . . 1 . 466 . . 29 C C3' . 26568 1 474 . 1 1 29 29 C C4' C 13 79.30 . . 1 . 465 . . 29 C C4' . 26568 1 475 . 1 1 29 29 C C5 C 13 95.30 . . 1 . 470 . . 29 C C5 . 26568 1 476 . 1 1 29 29 C C5' C 13 62.40 . . 1 . 464 . . 29 C C5' . 26568 1 477 . 1 1 29 29 C C6 C 13 138.60 . . 1 . 471 . . 29 C C6 . 26568 1 478 . 1 1 29 29 C N1 N 15 150.30 . . 1 . 469 . . 29 C N1 . 26568 1 479 . 1 1 29 29 C P P 31 -4.08 . . 1 . 463 . . 29 C P . 26568 1 480 . 1 1 30 30 G H1 H 1 12.90 . . 1 . 495 . . 30 G H1 . 26568 1 481 . 1 1 30 30 G H1' H 1 5.76 . . 1 . 489 . . 30 G H1' . 26568 1 482 . 1 1 30 30 G H2' H 1 4.59 . . 1 . 490 . . 30 G H2' . 26568 1 483 . 1 1 30 30 G H3' H 1 4.59 . . 1 . 491 . . 30 G H3' . 26568 1 484 . 1 1 30 30 G H4' H 1 4.57 . . 1 . 492 . . 30 G H4' . 26568 1 485 . 1 1 30 30 G H5' H 1 4.56 . . 2 . 493 . . 30 G H5' . 26568 1 486 . 1 1 30 30 G H5'' H 1 4.20 . . 2 . 494 . . 30 G H5'' . 26568 1 487 . 1 1 30 30 G H8 H 1 7.64 . . 1 . 496 . . 30 G H8 . 26568 1 488 . 1 1 30 30 G C1' C 13 90.80 . . 1 . 485 . . 30 G C1' . 26568 1 489 . 1 1 30 30 G C2' C 13 72.70 . . 1 . 484 . . 30 G C2' . 26568 1 490 . 1 1 30 30 G C3' C 13 70.40 . . 1 . 483 . . 30 G C3' . 26568 1 491 . 1 1 30 30 G C4' C 13 79.60 . . 1 . 482 . . 30 G C4' . 26568 1 492 . 1 1 30 30 G C5' C 13 63.10 . . 1 . 481 . . 30 G C5' . 26568 1 493 . 1 1 30 30 G C8 C 13 133.70 . . 1 . 487 . . 30 G C8 . 26568 1 494 . 1 1 30 30 G N1 N 15 147.20 . . 1 . 488 . . 30 G N1 . 26568 1 495 . 1 1 30 30 G N9 N 15 168.30 . . 1 . 486 . . 30 G N9 . 26568 1 496 . 1 1 30 30 G P P 31 -4.25 . . 1 . 480 . . 30 G P . 26568 1 497 . 1 1 31 31 U H1' H 1 5.68 . . 1 . 507 . . 31 U H1' . 26568 1 498 . 1 1 31 31 U H2' H 1 4.28 . . 1 . 508 . . 31 U H2' . 26568 1 499 . 1 1 31 31 U H3 H 1 14.61 . . 1 . 513 . . 31 U H3 . 26568 1 500 . 1 1 31 31 U H3' H 1 4.61 . . 1 . 509 . . 31 U H3' . 26568 1 501 . 1 1 31 31 U H4' H 1 4.50 . . 1 . 510 . . 31 U H4' . 26568 1 502 . 1 1 31 31 U H5 H 1 5.17 . . 1 . 515 . . 31 U H5 . 26568 1 503 . 1 1 31 31 U H5' H 1 4.69 . . 2 . 511 . . 31 U H5' . 26568 1 504 . 1 1 31 31 U H5'' H 1 4.17 . . 2 . 512 . . 31 U H5'' . 26568 1 505 . 1 1 31 31 U H6 H 1 7.87 . . 1 . 514 . . 31 U H6 . 26568 1 506 . 1 1 31 31 U C1' C 13 91.60 . . 1 . 502 . . 31 U C1' . 26568 1 507 . 1 1 31 31 U C2' C 13 73.00 . . 1 . 501 . . 31 U C2' . 26568 1 508 . 1 1 31 31 U C3' C 13 69.50 . . 1 . 500 . . 31 U C3' . 26568 1 509 . 1 1 31 31 U C4' C 13 79.80 . . 1 . 499 . . 31 U C4' . 26568 1 510 . 1 1 31 31 U C5 C 13 100.00 . . 1 . 505 . . 31 U C5 . 26568 1 511 . 1 1 31 31 U C5' C 13 61.80 . . 1 . 498 . . 31 U C5' . 26568 1 512 . 1 1 31 31 U C6 C 13 139.60 . . 1 . 506 . . 31 U C6 . 26568 1 513 . 1 1 31 31 U N1 N 15 146.40 . . 1 . 503 . . 31 U N1 . 26568 1 514 . 1 1 31 31 U N3 N 15 163.00 . . 1 . 504 . . 31 U N3 . 26568 1 515 . 1 1 31 31 U P P 31 -4.98 . . 1 . 497 . . 31 U P . 26568 1 516 . 1 1 32 32 C H1' H 1 6.32 . . 1 . 525 . . 32 C H1' . 26568 1 517 . 1 1 32 32 C H2' H 1 4.76 . . 1 . 526 . . 32 C H2' . 26568 1 518 . 1 1 32 32 C H3' H 1 5.09 . . 1 . 527 . . 32 C H3' . 26568 1 519 . 1 1 32 32 C H4' H 1 4.53 . . 1 . 528 . . 32 C H4' . 26568 1 520 . 1 1 32 32 C H5 H 1 5.82 . . 1 . 531 . . 32 C H5 . 26568 1 521 . 1 1 32 32 C H5' H 1 4.61 . . 2 . 529 . . 32 C H5' . 26568 1 522 . 1 1 32 32 C H5'' H 1 4.23 . . 2 . 530 . . 32 C H5'' . 26568 1 523 . 1 1 32 32 C H6 H 1 7.65 . . 1 . 532 . . 32 C H6 . 26568 1 524 . 1 1 32 32 C C1' C 13 89.14 . . 1 . 521 . . 32 C C1' . 26568 1 525 . 1 1 32 32 C C2' C 13 82.40 . . 1 . 520 . . 32 C C2' . 26568 1 526 . 1 1 32 32 C C3' C 13 75.30 . . 1 . 519 . . 32 C C3' . 26568 1 527 . 1 1 32 32 C C4' C 13 82.60 . . 1 . 518 . . 32 C C4' . 26568 1 528 . 1 1 32 32 C C5 C 13 96.70 . . 1 . 523 . . 32 C C5 . 26568 1 529 . 1 1 32 32 C C5' C 13 63.20 . . 1 . 517 . . 32 C C5' . 26568 1 530 . 1 1 32 32 C C6 C 13 139.80 . . 1 . 524 . . 32 C C6 . 26568 1 531 . 1 1 32 32 C N1 N 15 150.00 . . 1 . 522 . . 32 C N1 . 26568 1 532 . 1 1 32 32 C P P 31 -4.56 . . 1 . 516 . . 32 C P . 26568 1 stop_ save_