data_34321 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34321 _Entry.Title ; NMR solution structure of the C/D box snoRNA U14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-22 _Entry.Accession_date 2018-10-22 _Entry.Last_release_date 2019-04-18 _Entry.Original_release_date 2019-04-18 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34321 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Chagot M. E. . . 34321 2 M. Quinternet M. . . . 34321 3 B. Rothe B. . . . 34321 4 B. Charpentier B. . . . 34321 5 J. Coutant J. . . . 34321 6 X. Manival X. . . . 34321 7 I. Lebars I. . . . 34321 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C/D box snoRNA' . 34321 K-turn . 34321 RNA . 34321 'Snu13p protein' . 34321 U14 . 34321 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34321 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 207 34321 '15N chemical shifts' 77 34321 '1H chemical shifts' 242 34321 '31P chemical shifts' 11 34321 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 . . 2021-09-16 2018-10-22 update BMRB 'update entry citation' 34321 1 . . 2019-04-22 2018-10-22 original author 'original release' 34321 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6HYK . 34321 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34321 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 30914254 _Citation.DOI 10.1016/j.biochi.2019.03.014 _Citation.Full_citation . _Citation.Title ; The yeast C/D box snoRNA U14 adopts a "weak" K-turn like conformation recognized by the Snu13 core protein in solution. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochimie _Citation.Journal_name_full . _Citation.Journal_volume 164 _Citation.Journal_issue . _Citation.Journal_ASTM BICMBE _Citation.Journal_ISSN 0300-9084 _Citation.Journal_CSD 0466 _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 70 _Citation.Page_last 82 _Citation.Year 2019 _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 M. Chagot M. E. . . 34321 1 2 M. Quinternet M. . . . 34321 1 3 B. Rothe B. . . . 34321 1 4 B. Charpentier B. . . . 34321 1 5 J. Coutant J. . . . 34321 1 6 X. Manival X. . . . 34321 1 7 I. Lebars I. . . . 34321 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34321 _Assembly.ID 1 _Assembly.Name 'RNA (31-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34321 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34321 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCACGGUGAUGACCUUCGG GUCUGAGUGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9998.949 _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 . 34321 1 2 . G . 34321 1 3 . C . 34321 1 4 . A . 34321 1 5 . C . 34321 1 6 . G . 34321 1 7 . G . 34321 1 8 . U . 34321 1 9 . G . 34321 1 10 . A . 34321 1 11 . U . 34321 1 12 . G . 34321 1 13 . A . 34321 1 14 . C . 34321 1 15 . C . 34321 1 16 . U . 34321 1 17 . U . 34321 1 18 . C . 34321 1 19 . G . 34321 1 20 . G . 34321 1 21 . G . 34321 1 22 . U . 34321 1 23 . C . 34321 1 24 . U . 34321 1 25 . G . 34321 1 26 . A . 34321 1 27 . G . 34321 1 28 . U . 34321 1 29 . G . 34321 1 30 . C . 34321 1 31 . C . 34321 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 34321 1 . G 2 2 34321 1 . C 3 3 34321 1 . A 4 4 34321 1 . C 5 5 34321 1 . G 6 6 34321 1 . G 7 7 34321 1 . U 8 8 34321 1 . G 9 9 34321 1 . A 10 10 34321 1 . U 11 11 34321 1 . G 12 12 34321 1 . A 13 13 34321 1 . C 14 14 34321 1 . C 15 15 34321 1 . U 16 16 34321 1 . U 17 17 34321 1 . C 18 18 34321 1 . G 19 19 34321 1 . G 20 20 34321 1 . G 21 21 34321 1 . U 22 22 34321 1 . C 23 23 34321 1 . U 24 24 34321 1 . G 25 25 34321 1 . A 26 26 34321 1 . G 27 27 34321 1 . U 28 28 34321 1 . G 29 29 34321 1 . C 30 30 34321 1 . C 31 31 34321 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 34321 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 . . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 34321 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 34321 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' . . . . . . . . . . . . . . . . 34321 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34321 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM RNA (31-MER), 500 uM [U-99% 13C; U-99% 15N] RNA (31-MER), 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (31-MER)_unlabel' 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 34321 1 2 'RNA (31-MER)_label' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34321 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 34321 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34321 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM RNA (31-MER), 500 uM [U-99% 13C; U-99% 15N] RNA (31-MER), 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (31-MER)_unlabel' 'natural abundance' . . 1 $entity_1 . . 500 . . uM . . . . 34321 2 2 'RNA (31-MER)_label' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34321 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 34321 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34321 _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' 150 . mM 34321 1 pH 6.4 . pH 34321 1 pressure 1 . atm 34321 1 temperature 283 . K 34321 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34321 _Sample_condition_list.ID 2 _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' 150 . mM 34321 2 pH 6.4 . pH 34321 2 pressure 1 . atm 34321 2 temperature 288 . K 34321 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34321 _Sample_condition_list.ID 3 _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' 150 . mM 34321 3 pH 6.4 . pH 34321 3 pressure 1 . atm 34321 3 temperature 293 . K 34321 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 34321 _Sample_condition_list.ID 4 _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' 150 . mM 34321 4 pH 6.4 . pH 34321 4 pressure 1 . atm 34321 4 temperature 298 . K 34321 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 34321 _Sample_condition_list.ID 5 _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' 150 . mM 34321 5 pH 6.4 . pH 34321 5 pressure 1 . atm 34321 5 temperature 303 . K 34321 5 stop_ save_ save_sample_conditions_6 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_6 _Sample_condition_list.Entry_ID 34321 _Sample_condition_list.ID 6 _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' 150 . mM 34321 6 pH 6.4 . pH 34321 6 pressure 1 . atm 34321 6 temperature 298 . K 34321 6 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34321 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34321 1 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34321 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34321 1 'structure calculation' . 34321 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34321 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34321 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34321 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34321 _Software.ID 3 _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 . . 34321 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34321 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34321 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34321 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 34321 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 34321 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 500 . . . 34321 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 34321 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 6 $sample_conditions_6 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 12 '2D MLEV' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 13 '2D MLEV' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 14 '2D MLEV' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 16 '2D HNN COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 17 '2D HNN COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 18 '2D HNN COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 21 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 6 $sample_conditions_6 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 22 '2D DQF-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 23 '2D HCN' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 24 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34321 1 25 '3D HCP' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34321 1 26 '2D HPCOSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34321 1 27 '2D HCC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34321 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34321 _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 0.000 internal indirect 0.25144953 . . . . . 34321 1 H 1 TSP protons . . . . ppm 0.000 internal direct 1.0 . . . . . 34321 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34321 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34321 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34321 1 2 '2D 1H-1H NOESY' . . . 34321 1 3 '2D 1H-1H NOESY' . . . 34321 1 4 '2D 1H-15N HSQC' . . . 34321 1 5 '2D 1H-15N HSQC' . . . 34321 1 6 '2D 1H-15N HSQC' . . . 34321 1 7 '2D 1H-13C HSQC' . . . 34321 1 8 '2D 1H-15N HSQC' . . . 34321 1 9 '2D 1H-1H NOESY' . . . 34321 1 10 '2D 1H-1H NOESY' . . . 34321 1 11 '2D 1H-1H NOESY' . . . 34321 1 12 '2D MLEV' . . . 34321 1 13 '2D MLEV' . . . 34321 1 14 '2D MLEV' . . . 34321 1 15 '2D 1H-13C HSQC' . . . 34321 1 16 '2D HNN COSY' . . . 34321 1 17 '2D HNN COSY' . . . 34321 1 18 '2D HNN COSY' . . . 34321 1 19 '2D 1H-13C HSQC' . . . 34321 1 20 '2D 1H-13C HSQC' . . . 34321 1 21 '2D 1H-13C HSQC' . . . 34321 1 22 '2D DQF-COSY' . . . 34321 1 23 '2D HCN' . . . 34321 1 24 '3D HCCH-TOCSY' . . . 34321 1 25 '3D HCP' . . . 34321 1 26 '2D HPCOSY' . . . 34321 1 27 '2D HCC' . . . 34321 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 12.50 0.05 . 1 . . . . A 1 G H1 . 34321 1 2 . 1 . 1 1 1 G H1' H 1 5.73 0.05 . 1 . . . . A 1 G H1' . 34321 1 3 . 1 . 1 1 1 G H2' H 1 4.86 0.05 . 1 . . . . A 1 G H2' . 34321 1 4 . 1 . 1 1 1 G H3' H 1 4.68 0.05 . 1 . . . . A 1 G H3' . 34321 1 5 . 1 . 1 1 1 G H4' H 1 4.48 0.05 . 1 . . . . A 1 G H4' . 34321 1 6 . 1 . 1 1 1 G H5' H 1 4.22 0.05 . 1 . . . . A 1 G H5' . 34321 1 7 . 1 . 1 1 1 G H5'' H 1 4.41 0.05 . 1 . . . . A 1 G H5'' . 34321 1 8 . 1 . 1 1 1 G H8 H 1 8.11 0.05 . 1 . . . . A 1 G H8 . 34321 1 9 . 1 . 1 1 1 G C1' C 13 92.97 0.05 . 1 . . . . A 1 G C1' . 34321 1 10 . 1 . 1 1 1 G C2' C 13 74.99 0.05 . 1 . . . . A 1 G C2' . 34321 1 11 . 1 . 1 1 1 G C3' C 13 73.85 0.05 . 1 . . . . A 1 G C3' . 34321 1 12 . 1 . 1 1 1 G C4' C 13 82.20 0.05 . 1 . . . . A 1 G C4' . 34321 1 13 . 1 . 1 1 1 G C5' C 13 66.65 0.05 . 1 . . . . A 1 G C5' . 34321 1 14 . 1 . 1 1 1 G C8 C 13 139.18 0.05 . 1 . . . . A 1 G C8 . 34321 1 15 . 1 . 1 1 1 G N1 N 15 149.71 0.05 . 1 . . . . A 1 G N1 . 34321 1 16 . 1 . 1 1 1 G N7 N 15 230.96 0.05 . 1 . . . . A 1 G N7 . 34321 1 17 . 1 . 1 1 1 G N9 N 15 170.07 0.05 . 1 . . . . A 1 G N9 . 34321 1 18 . 1 . 1 2 2 G H1 H 1 13.17 0.05 . 1 . . . . A 2 G H1 . 34321 1 19 . 1 . 1 2 2 G H1' H 1 5.85 0.05 . 1 . . . . A 2 G H1' . 34321 1 20 . 1 . 1 2 2 G H2' H 1 4.59 0.05 . 1 . . . . A 2 G H2' . 34321 1 21 . 1 . 1 2 2 G H3' H 1 4.56 0.05 . 1 . . . . A 2 G H3' . 34321 1 22 . 1 . 1 2 2 G H4' H 1 4.52 0.05 . 1 . . . . A 2 G H4' . 34321 1 23 . 1 . 1 2 2 G H5' H 1 4.16 0.05 . 1 . . . . A 2 G H5' . 34321 1 24 . 1 . 1 2 2 G H5'' H 1 4.49 0.05 . 1 . . . . A 2 G H5'' . 34321 1 25 . 1 . 1 2 2 G H8 H 1 7.61 0.05 . 1 . . . . A 2 G H8 . 34321 1 26 . 1 . 1 2 2 G C1' C 13 92.85 0.05 . 1 . . . . A 2 G C1' . 34321 1 27 . 1 . 1 2 2 G C2' C 13 72.57 0.05 . 1 . . . . A 2 G C2' . 34321 1 28 . 1 . 1 2 2 G C3' C 13 75.17 0.05 . 1 . . . . A 2 G C3' . 34321 1 29 . 1 . 1 2 2 G C4' C 13 82.99 0.05 . 1 . . . . A 2 G C4' . 34321 1 30 . 1 . 1 2 2 G C5' C 13 65.47 0.05 . 1 . . . . A 2 G C5' . 34321 1 31 . 1 . 1 2 2 G C8 C 13 136.80 0.05 . 1 . . . . A 2 G C8 . 34321 1 32 . 1 . 1 2 2 G N1 N 15 150.28 0.05 . 1 . . . . A 2 G N1 . 34321 1 33 . 1 . 1 2 2 G N7 N 15 233.76 0.05 . 1 . . . . A 2 G N7 . 34321 1 34 . 1 . 1 2 2 G N9 N 15 169.84 0.05 . 1 . . . . A 2 G N9 . 34321 1 35 . 1 . 1 3 3 C H1' H 1 5.45 0.05 . 1 . . . . A 3 C H1' . 34321 1 36 . 1 . 1 3 3 C H2' H 1 4.17 0.05 . 1 . . . . A 3 C H2' . 34321 1 37 . 1 . 1 3 3 C H3' H 1 4.23 0.05 . 1 . . . . A 3 C H3' . 34321 1 38 . 1 . 1 3 3 C H5 H 1 5.21 0.05 . 1 . . . . A 3 C H5 . 34321 1 39 . 1 . 1 3 3 C H6 H 1 7.68 0.05 . 1 . . . . A 3 C H6 . 34321 1 40 . 1 . 1 3 3 C H41 H 1 6.70 0.05 . 1 . . . . A 3 C H41 . 34321 1 41 . 1 . 1 3 3 C H42 H 1 8.41 0.05 . 1 . . . . A 3 C H42 . 34321 1 42 . 1 . 1 3 3 C C1' C 13 93.66 0.05 . 1 . . . . A 3 C C1' . 34321 1 43 . 1 . 1 3 3 C C2' C 13 75.54 0.05 . 1 . . . . A 3 C C2' . 34321 1 44 . 1 . 1 3 3 C C3' C 13 71.82 0.05 . 1 . . . . A 3 C C3' . 34321 1 45 . 1 . 1 3 3 C C4 C 13 168.39 0.05 . 1 . . . . A 3 C C4 . 34321 1 46 . 1 . 1 3 3 C C5 C 13 97.26 0.05 . 1 . . . . A 3 C C5 . 34321 1 47 . 1 . 1 3 3 C C6 C 13 140.67 0.05 . 1 . . . . A 3 C C6 . 34321 1 48 . 1 . 1 3 3 C N1 N 15 153.23 0.05 . 1 . . . . A 3 C N1 . 34321 1 49 . 1 . 1 3 3 C N3 N 15 198.80 0.05 . 1 . . . . A 3 C N3 . 34321 1 50 . 1 . 1 4 4 A H1' H 1 5.90 0.05 . 1 . . . . A 4 A H1' . 34321 1 51 . 1 . 1 4 4 A H2 H 1 7.37 0.05 . 1 . . . . A 4 A H2 . 34321 1 52 . 1 . 1 4 4 A H2' H 1 4.65 0.05 . 1 . . . . A 4 A H2' . 34321 1 53 . 1 . 1 4 4 A H3' H 1 4.42 0.05 . 1 . . . . A 4 A H3' . 34321 1 54 . 1 . 1 4 4 A H8 H 1 8.01 0.05 . 1 . . . . A 4 A H8 . 34321 1 55 . 1 . 1 4 4 A C1' C 13 92.72 0.05 . 1 . . . . A 4 A C1' . 34321 1 56 . 1 . 1 4 4 A C2 C 13 153.32 0.05 . 1 . . . . A 4 A C2 . 34321 1 57 . 1 . 1 4 4 A C2' C 13 72.36 0.05 . 1 . . . . A 4 A C2' . 34321 1 58 . 1 . 1 4 4 A C3' C 13 72.37 0.05 . 1 . . . . A 4 A C3' . 34321 1 59 . 1 . 1 4 4 A C8 C 13 139.21 0.05 . 1 . . . . A 4 A C8 . 34321 1 60 . 1 . 1 4 4 A N1 N 15 221.98 0.05 . 1 . . . . A 4 A N1 . 34321 1 61 . 1 . 1 4 4 A N3 N 15 212.57 0.05 . 1 . . . . A 4 A N3 . 34321 1 62 . 1 . 1 4 4 A N7 N 15 230.43 0.05 . 1 . . . . A 4 A N7 . 34321 1 63 . 1 . 1 4 4 A N9 N 15 171.05 0.05 . 1 . . . . A 4 A N9 . 34321 1 64 . 1 . 1 5 5 C H1' H 1 5.41 0.05 . 1 . . . . A 5 C H1' . 34321 1 65 . 1 . 1 5 5 C H2' H 1 4.32 0.05 . 1 . . . . A 5 C H2' . 34321 1 66 . 1 . 1 5 5 C H3' H 1 4.28 0.05 . 1 . . . . A 5 C H3' . 34321 1 67 . 1 . 1 5 5 C H5 H 1 5.14 0.05 . 1 . . . . A 5 C H5 . 34321 1 68 . 1 . 1 5 5 C H5' H 1 3.99 0.05 . 1 . . . . A 5 C H5' . 34321 1 69 . 1 . 1 5 5 C H6 H 1 7.32 0.05 . 1 . . . . A 5 C H6 . 34321 1 70 . 1 . 1 5 5 C H41 H 1 6.63 0.05 . 1 . . . . A 5 C H41 . 34321 1 71 . 1 . 1 5 5 C H42 H 1 7.89 0.05 . 1 . . . . A 5 C H42 . 34321 1 72 . 1 . 1 5 5 C C1' C 13 92.97 0.05 . 1 . . . . A 5 C C1' . 34321 1 73 . 1 . 1 5 5 C C2' C 13 72.00 0.05 . 1 . . . . A 5 C C2' . 34321 1 74 . 1 . 1 5 5 C C3' C 13 71.80 0.05 . 1 . . . . A 5 C C3' . 34321 1 75 . 1 . 1 5 5 C C4 C 13 167.62 0.05 . 1 . . . . A 5 C C4 . 34321 1 76 . 1 . 1 5 5 C C5 C 13 97.61 0.05 . 1 . . . . A 5 C C5 . 34321 1 77 . 1 . 1 5 5 C C6 C 13 139.38 0.05 . 1 . . . . A 5 C C6 . 34321 1 78 . 1 . 1 5 5 C N1 N 15 152.72 0.05 . 1 . . . . A 5 C N1 . 34321 1 79 . 1 . 1 5 5 C N3 N 15 196.74 0.05 . 1 . . . . A 5 C N3 . 34321 1 80 . 1 . 1 6 6 G H1' H 1 5.69 0.05 . 1 . . . . A 6 G H1' . 34321 1 81 . 1 . 1 6 6 G H2' H 1 4.42 0.05 . 1 . . . . A 6 G H2' . 34321 1 82 . 1 . 1 6 6 G H3' H 1 4.02 0.05 . 1 . . . . A 6 G H3' . 34321 1 83 . 1 . 1 6 6 G H4' H 1 4.73 0.05 . 1 . . . . A 6 G H4' . 34321 1 84 . 1 . 1 6 6 G H5' H 1 4.48 0.05 . 1 . . . . A 6 G H5' . 34321 1 85 . 1 . 1 6 6 G H8 H 1 7.44 0.05 . 1 . . . . A 6 G H8 . 34321 1 86 . 1 . 1 6 6 G C1' C 13 88.63 0.05 . 1 . . . . A 6 G C1' . 34321 1 87 . 1 . 1 6 6 G C2' C 13 72.34 0.05 . 1 . . . . A 6 G C2' . 34321 1 88 . 1 . 1 6 6 G C3' C 13 75.20 0.05 . 1 . . . . A 6 G C3' . 34321 1 89 . 1 . 1 6 6 G C4' C 13 84.19 0.05 . 1 . . . . A 6 G C4' . 34321 1 90 . 1 . 1 6 6 G C8 C 13 136.69 0.05 . 1 . . . . A 6 G C8 . 34321 1 91 . 1 . 1 6 6 G N7 N 15 235.29 0.05 . 1 . . . . A 6 G N7 . 34321 1 92 . 1 . 1 6 6 G N9 N 15 171.82 0.05 . 1 . . . . A 6 G N9 . 34321 1 93 . 1 . 1 7 7 G H1' H 1 4.77 0.05 . 1 . . . . A 7 G H1' . 34321 1 94 . 1 . 1 7 7 G H2' H 1 4.30 0.05 . 1 . . . . A 7 G H2' . 34321 1 95 . 1 . 1 7 7 G H3' H 1 4.30 0.05 . 1 . . . . A 7 G H3' . 34321 1 96 . 1 . 1 7 7 G H4' H 1 3.51 0.05 . 1 . . . . A 7 G H4' . 34321 1 97 . 1 . 1 7 7 G H5' H 1 3.91 0.05 . 1 . . . . A 7 G H5' . 34321 1 98 . 1 . 1 7 7 G H8 H 1 7.11 0.05 . 1 . . . . A 7 G H8 . 34321 1 99 . 1 . 1 7 7 G C1' C 13 90.44 0.05 . 1 . . . . A 7 G C1' . 34321 1 100 . 1 . 1 7 7 G C2' C 13 77.29 0.05 . 1 . . . . A 7 G C2' . 34321 1 101 . 1 . 1 7 7 G C3' C 13 72.71 0.05 . 1 . . . . A 7 G C3' . 34321 1 102 . 1 . 1 7 7 G C4' C 13 84.88 0.05 . 1 . . . . A 7 G C4' . 34321 1 103 . 1 . 1 7 7 G C5' C 13 66.27 0.05 . 1 . . . . A 7 G C5' . 34321 1 104 . 1 . 1 7 7 G C8 C 13 140.78 0.05 . 1 . . . . A 7 G C8 . 34321 1 105 . 1 . 1 7 7 G N7 N 15 234.30 0.05 . 1 . . . . A 7 G N7 . 34321 1 106 . 1 . 1 7 7 G N9 N 15 165.02 0.05 . 1 . . . . A 7 G N9 . 34321 1 107 . 1 . 1 7 7 G P P 31 -3.49 0.05 . 1 . . . . A 7 G P . 34321 1 108 . 1 . 1 8 8 U H1' H 1 5.94 0.05 . 1 . . . . A 8 U H1' . 34321 1 109 . 1 . 1 8 8 U H2' H 1 4.23 0.05 . 1 . . . . A 8 U H2' . 34321 1 110 . 1 . 1 8 8 U H3' H 1 4.27 0.05 . 1 . . . . A 8 U H3' . 34321 1 111 . 1 . 1 8 8 U H4' H 1 4.66 0.05 . 1 . . . . A 8 U H4' . 34321 1 112 . 1 . 1 8 8 U H5 H 1 5.70 0.05 . 1 . . . . A 8 U H5 . 34321 1 113 . 1 . 1 8 8 U H5' H 1 3.68 0.05 . 1 . . . . A 8 U H5' . 34321 1 114 . 1 . 1 8 8 U H5'' H 1 3.92 0.05 . 1 . . . . A 8 U H5'' . 34321 1 115 . 1 . 1 8 8 U H6 H 1 7.72 0.05 . 1 . . . . A 8 U H6 . 34321 1 116 . 1 . 1 8 8 U C1' C 13 89.00 0.05 . 1 . . . . A 8 U C1' . 34321 1 117 . 1 . 1 8 8 U C2' C 13 75.11 0.05 . 1 . . . . A 8 U C2' . 34321 1 118 . 1 . 1 8 8 U C3' C 13 78.56 0.05 . 1 . . . . A 8 U C3' . 34321 1 119 . 1 . 1 8 8 U C4 C 13 168.54 0.05 . 1 . . . . A 8 U C4 . 34321 1 120 . 1 . 1 8 8 U C4' C 13 84.50 0.05 . 1 . . . . A 8 U C4' . 34321 1 121 . 1 . 1 8 8 U C5 C 13 105.52 0.05 . 1 . . . . A 8 U C5 . 34321 1 122 . 1 . 1 8 8 U C5' C 13 68.17 0.05 . 1 . . . . A 8 U C5' . 34321 1 123 . 1 . 1 8 8 U C6 C 13 143.75 0.05 . 1 . . . . A 8 U C6 . 34321 1 124 . 1 . 1 8 8 U N1 N 15 146.23 0.05 . 1 . . . . A 8 U N1 . 34321 1 125 . 1 . 1 8 8 U N3 N 15 160.09 0.05 . 1 . . . . A 8 U N3 . 34321 1 126 . 1 . 1 8 8 U P P 31 -4.21 0.05 . 1 . . . . A 8 U P . 34321 1 127 . 1 . 1 9 9 G H1' H 1 5.94 0.05 . 1 . . . . A 9 G H1' . 34321 1 128 . 1 . 1 9 9 G H2' H 1 5.07 0.05 . 1 . . . . A 9 G H2' . 34321 1 129 . 1 . 1 9 9 G H3' H 1 4.90 0.05 . 1 . . . . A 9 G H3' . 34321 1 130 . 1 . 1 9 9 G H4' H 1 4.86 0.05 . 1 . . . . A 9 G H4' . 34321 1 131 . 1 . 1 9 9 G H5' H 1 4.13 0.05 . 1 . . . . A 9 G H5' . 34321 1 132 . 1 . 1 9 9 G H8 H 1 8.19 0.05 . 1 . . . . A 9 G H8 . 34321 1 133 . 1 . 1 9 9 G C1' C 13 87.21 0.05 . 1 . . . . A 9 G C1' . 34321 1 134 . 1 . 1 9 9 G C2' C 13 76.46 0.05 . 1 . . . . A 9 G C2' . 34321 1 135 . 1 . 1 9 9 G C3' C 13 79.86 0.05 . 1 . . . . A 9 G C3' . 34321 1 136 . 1 . 1 9 9 G C4' C 13 87.27 0.05 . 1 . . . . A 9 G C4' . 34321 1 137 . 1 . 1 9 9 G C5' C 13 68.05 0.05 . 1 . . . . A 9 G C5' . 34321 1 138 . 1 . 1 9 9 G C8 C 13 139.40 0.05 . 1 . . . . A 9 G C8 . 34321 1 139 . 1 . 1 9 9 G N7 N 15 238.18 0.05 . 1 . . . . A 9 G N7 . 34321 1 140 . 1 . 1 9 9 G N9 N 15 167.50 0.05 . 1 . . . . A 9 G N9 . 34321 1 141 . 1 . 1 9 9 G P P 31 -4.97 0.05 . 1 . . . . A 9 G P . 34321 1 142 . 1 . 1 10 10 A H1' H 1 5.88 0.05 . 1 . . . . A 10 A H1' . 34321 1 143 . 1 . 1 10 10 A H2 H 1 8.14 0.05 . 1 . . . . A 10 A H2 . 34321 1 144 . 1 . 1 10 10 A H2' H 1 4.43 0.05 . 1 . . . . A 10 A H2' . 34321 1 145 . 1 . 1 10 10 A H3' H 1 4.86 0.05 . 1 . . . . A 10 A H3' . 34321 1 146 . 1 . 1 10 10 A H4' H 1 4.55 0.05 . 1 . . . . A 10 A H4' . 34321 1 147 . 1 . 1 10 10 A H5' H 1 4.49 0.05 . 1 . . . . A 10 A H5' . 34321 1 148 . 1 . 1 10 10 A H5'' H 1 4.57 0.05 . 1 . . . . A 10 A H5'' . 34321 1 149 . 1 . 1 10 10 A H8 H 1 7.96 0.05 . 1 . . . . A 10 A H8 . 34321 1 150 . 1 . 1 10 10 A C1' C 13 92.67 0.05 . 1 . . . . A 10 A C1' . 34321 1 151 . 1 . 1 10 10 A C2 C 13 155.73 0.05 . 1 . . . . A 10 A C2 . 34321 1 152 . 1 . 1 10 10 A C2' C 13 75.38 0.05 . 1 . . . . A 10 A C2' . 34321 1 153 . 1 . 1 10 10 A C3' C 13 75.71 0.05 . 1 . . . . A 10 A C3' . 34321 1 154 . 1 . 1 10 10 A C4' C 13 82.97 0.05 . 1 . . . . A 10 A C4' . 34321 1 155 . 1 . 1 10 10 A C5' C 13 64.35 0.05 . 1 . . . . A 10 A C5' . 34321 1 156 . 1 . 1 10 10 A C8 C 13 140.37 0.05 . 1 . . . . A 10 A C8 . 34321 1 157 . 1 . 1 10 10 A N1 N 15 224.06 0.05 . 1 . . . . A 10 A N1 . 34321 1 158 . 1 . 1 10 10 A N3 N 15 213.83 0.05 . 1 . . . . A 10 A N3 . 34321 1 159 . 1 . 1 10 10 A N7 N 15 231.58 0.05 . 1 . . . . A 10 A N7 . 34321 1 160 . 1 . 1 10 10 A N9 N 15 170.36 0.05 . 1 . . . . A 10 A N9 . 34321 1 161 . 1 . 1 10 10 A P P 31 -4.56 0.05 . 1 . . . . A 10 A P . 34321 1 162 . 1 . 1 11 11 U H1' H 1 4.61 0.05 . 1 . . . . A 11 U H1' . 34321 1 163 . 1 . 1 11 11 U H2' H 1 4.25 0.05 . 1 . . . . A 11 U H2' . 34321 1 164 . 1 . 1 11 11 U H3 H 1 9.60 0.05 . 1 . . . . A 11 U H3 . 34321 1 165 . 1 . 1 11 11 U H3' H 1 4.26 0.05 . 1 . . . . A 11 U H3' . 34321 1 166 . 1 . 1 11 11 U H4' H 1 4.39 0.05 . 1 . . . . A 11 U H4' . 34321 1 167 . 1 . 1 11 11 U H5 H 1 5.58 0.05 . 1 . . . . A 11 U H5 . 34321 1 168 . 1 . 1 11 11 U H6 H 1 7.26 0.05 . 1 . . . . A 11 U H6 . 34321 1 169 . 1 . 1 11 11 U C1' C 13 93.25 0.05 . 1 . . . . A 11 U C1' . 34321 1 170 . 1 . 1 11 11 U C2' C 13 74.67 0.05 . 1 . . . . A 11 U C2' . 34321 1 171 . 1 . 1 11 11 U C3' C 13 72.17 0.05 . 1 . . . . A 11 U C3' . 34321 1 172 . 1 . 1 11 11 U C4 C 13 167.86 0.05 . 1 . . . . A 11 U C4 . 34321 1 173 . 1 . 1 11 11 U C4' C 13 81.88 0.05 . 1 . . . . A 11 U C4' . 34321 1 174 . 1 . 1 11 11 U C5 C 13 104.17 0.05 . 1 . . . . A 11 U C5 . 34321 1 175 . 1 . 1 11 11 U C6 C 13 140.18 0.05 . 1 . . . . A 11 U C6 . 34321 1 176 . 1 . 1 11 11 U N1 N 15 147.79 0.05 . 1 . . . . A 11 U N1 . 34321 1 177 . 1 . 1 11 11 U N3 N 15 158.19 0.05 . 1 . . . . A 11 U N3 . 34321 1 178 . 1 . 1 12 12 G H1 H 1 12.33 0.05 . 1 . . . . A 12 G H1 . 34321 1 179 . 1 . 1 12 12 G H1' H 1 5.68 0.05 . 1 . . . . A 12 G H1' . 34321 1 180 . 1 . 1 12 12 G H2' H 1 4.48 0.05 . 1 . . . . A 12 G H2' . 34321 1 181 . 1 . 1 12 12 G H3' H 1 4.59 0.05 . 1 . . . . A 12 G H3' . 34321 1 182 . 1 . 1 12 12 G H4' H 1 4.40 0.05 . 1 . . . . A 12 G H4' . 34321 1 183 . 1 . 1 12 12 G H8 H 1 7.64 0.05 . 1 . . . . A 12 G H8 . 34321 1 184 . 1 . 1 12 12 G C1' C 13 92.28 0.05 . 1 . . . . A 12 G C1' . 34321 1 185 . 1 . 1 12 12 G C2' C 13 75.44 0.05 . 1 . . . . A 12 G C2' . 34321 1 186 . 1 . 1 12 12 G C3' C 13 72.79 0.05 . 1 . . . . A 12 G C3' . 34321 1 187 . 1 . 1 12 12 G C4' C 13 81.82 0.05 . 1 . . . . A 12 G C4' . 34321 1 188 . 1 . 1 12 12 G C8 C 13 136.38 0.05 . 1 . . . . A 12 G C8 . 34321 1 189 . 1 . 1 12 12 G N1 N 15 148.76 0.05 . 1 . . . . A 12 G N1 . 34321 1 190 . 1 . 1 12 12 G N7 N 15 234.47 0.05 . 1 . . . . A 12 G N7 . 34321 1 191 . 1 . 1 12 12 G N9 N 15 169.84 0.05 . 1 . . . . A 12 G N9 . 34321 1 192 . 1 . 1 13 13 A H1' H 1 5.92 0.05 . 1 . . . . A 13 A H1' . 34321 1 193 . 1 . 1 13 13 A H2 H 1 7.71 0.05 . 1 . . . . A 13 A H2 . 34321 1 194 . 1 . 1 13 13 A H2' H 1 4.46 0.05 . 1 . . . . A 13 A H2' . 34321 1 195 . 1 . 1 13 13 A H3' H 1 4.52 0.05 . 1 . . . . A 13 A H3' . 34321 1 196 . 1 . 1 13 13 A H4' H 1 4.42 0.05 . 1 . . . . A 13 A H4' . 34321 1 197 . 1 . 1 13 13 A H8 H 1 7.79 0.05 . 1 . . . . A 13 A H8 . 34321 1 198 . 1 . 1 13 13 A C1' C 13 92.96 0.05 . 1 . . . . A 13 A C1' . 34321 1 199 . 1 . 1 13 13 A C2 C 13 153.95 0.05 . 1 . . . . A 13 A C2 . 34321 1 200 . 1 . 1 13 13 A C2' C 13 75.37 0.05 . 1 . . . . A 13 A C2' . 34321 1 201 . 1 . 1 13 13 A C3' C 13 72.61 0.05 . 1 . . . . A 13 A C3' . 34321 1 202 . 1 . 1 13 13 A C8 C 13 139.35 0.05 . 1 . . . . A 13 A C8 . 34321 1 203 . 1 . 1 13 13 A N1 N 15 223.46 0.05 . 1 . . . . A 13 A N1 . 34321 1 204 . 1 . 1 13 13 A N3 N 15 212.01 0.05 . 1 . . . . A 13 A N3 . 34321 1 205 . 1 . 1 13 13 A N7 N 15 229.43 0.05 . 1 . . . . A 13 A N7 . 34321 1 206 . 1 . 1 13 13 A N9 N 15 170.45 0.05 . 1 . . . . A 13 A N9 . 34321 1 207 . 1 . 1 14 14 C H1' H 1 5.37 0.05 . 1 . . . . A 14 C H1' . 34321 1 208 . 1 . 1 14 14 C H2' H 1 4.24 0.05 . 1 . . . . A 14 C H2' . 34321 1 209 . 1 . 1 14 14 C H3' H 1 4.28 0.05 . 1 . . . . A 14 C H3' . 34321 1 210 . 1 . 1 14 14 C H4' H 1 4.34 0.05 . 1 . . . . A 14 C H4' . 34321 1 211 . 1 . 1 14 14 C H5 H 1 5.11 0.05 . 1 . . . . A 14 C H5 . 34321 1 212 . 1 . 1 14 14 C H5' H 1 3.97 0.05 . 1 . . . . A 14 C H5' . 34321 1 213 . 1 . 1 14 14 C H5'' H 1 4.15 0.05 . 1 . . . . A 14 C H5'' . 34321 1 214 . 1 . 1 14 14 C H6 H 1 7.40 0.05 . 1 . . . . A 14 C H6 . 34321 1 215 . 1 . 1 14 14 C H41 H 1 7.20 0.05 . 1 . . . . A 14 C H41 . 34321 1 216 . 1 . 1 14 14 C H42 H 1 8.34 0.05 . 1 . . . . A 14 C H42 . 34321 1 217 . 1 . 1 14 14 C C1' C 13 93.63 0.05 . 1 . . . . A 14 C C1' . 34321 1 218 . 1 . 1 14 14 C C2' C 13 75.57 0.05 . 1 . . . . A 14 C C2' . 34321 1 219 . 1 . 1 14 14 C C3' C 13 72.01 0.05 . 1 . . . . A 14 C C3' . 34321 1 220 . 1 . 1 14 14 C C4 C 13 168.02 0.05 . 1 . . . . A 14 C C4 . 34321 1 221 . 1 . 1 14 14 C C4' C 13 81.79 0.05 . 1 . . . . A 14 C C4' . 34321 1 222 . 1 . 1 14 14 C C5 C 13 97.28 0.05 . 1 . . . . A 14 C C5 . 34321 1 223 . 1 . 1 14 14 C C5' C 13 64.35 0.05 . 1 . . . . A 14 C C5' . 34321 1 224 . 1 . 1 14 14 C C6 C 13 140.60 0.05 . 1 . . . . A 14 C C6 . 34321 1 225 . 1 . 1 14 14 C N1 N 15 153.74 0.05 . 1 . . . . A 14 C N1 . 34321 1 226 . 1 . 1 14 14 C N3 N 15 199.29 0.05 . 1 . . . . A 14 C N3 . 34321 1 227 . 1 . 1 15 15 C H1' H 1 5.40 0.05 . 1 . . . . A 15 C H1' . 34321 1 228 . 1 . 1 15 15 C H2' H 1 4.43 0.05 . 1 . . . . A 15 C H2' . 34321 1 229 . 1 . 1 15 15 C H3' H 1 4.34 0.05 . 1 . . . . A 15 C H3' . 34321 1 230 . 1 . 1 15 15 C H4' H 1 4.31 0.05 . 1 . . . . A 15 C H4' . 34321 1 231 . 1 . 1 15 15 C H5 H 1 5.40 0.05 . 1 . . . . A 15 C H5 . 34321 1 232 . 1 . 1 15 15 C H5' H 1 4.01 0.05 . 1 . . . . A 15 C H5' . 34321 1 233 . 1 . 1 15 15 C H5'' H 1 4.47 0.05 . 1 . . . . A 15 C H5'' . 34321 1 234 . 1 . 1 15 15 C H6 H 1 7.57 0.05 . 1 . . . . A 15 C H6 . 34321 1 235 . 1 . 1 15 15 C H41 H 1 6.63 0.05 . 1 . . . . A 15 C H41 . 34321 1 236 . 1 . 1 15 15 C H42 H 1 8.33 0.05 . 1 . . . . A 15 C H42 . 34321 1 237 . 1 . 1 15 15 C C1' C 13 93.66 0.05 . 1 . . . . A 15 C C1' . 34321 1 238 . 1 . 1 15 15 C C2' C 13 75.37 0.05 . 1 . . . . A 15 C C2' . 34321 1 239 . 1 . 1 15 15 C C3' C 13 72.04 0.05 . 1 . . . . A 15 C C3' . 34321 1 240 . 1 . 1 15 15 C C4 C 13 168.43 0.05 . 1 . . . . A 15 C C4 . 34321 1 241 . 1 . 1 15 15 C C4' C 13 82.32 0.05 . 1 . . . . A 15 C C4' . 34321 1 242 . 1 . 1 15 15 C C5 C 13 97.96 0.05 . 1 . . . . A 15 C C5 . 34321 1 243 . 1 . 1 15 15 C C5' C 13 64.35 0.05 . 1 . . . . A 15 C C5' . 34321 1 244 . 1 . 1 15 15 C C6 C 13 140.88 0.05 . 1 . . . . A 15 C C6 . 34321 1 245 . 1 . 1 15 15 C N1 N 15 154.05 0.05 . 1 . . . . A 15 C N1 . 34321 1 246 . 1 . 1 15 15 C N3 N 15 197.14 0.05 . 1 . . . . A 15 C N3 . 34321 1 247 . 1 . 1 16 16 U H1' H 1 5.53 0.05 . 1 . . . . A 16 U H1' . 34321 1 248 . 1 . 1 16 16 U H2' H 1 3.71 0.05 . 1 . . . . A 16 U H2' . 34321 1 249 . 1 . 1 16 16 U H3 H 1 11.57 0.05 . 1 . . . . A 16 U H3 . 34321 1 250 . 1 . 1 16 16 U H3' H 1 4.46 0.05 . 1 . . . . A 16 U H3' . 34321 1 251 . 1 . 1 16 16 U H4' H 1 4.29 0.05 . 1 . . . . A 16 U H4' . 34321 1 252 . 1 . 1 16 16 U H5 H 1 5.69 0.05 . 1 . . . . A 16 U H5 . 34321 1 253 . 1 . 1 16 16 U H5' H 1 4.02 0.05 . 1 . . . . A 16 U H5' . 34321 1 254 . 1 . 1 16 16 U H5'' H 1 4.42 0.05 . 1 . . . . A 16 U H5'' . 34321 1 255 . 1 . 1 16 16 U H6 H 1 7.70 0.05 . 1 . . . . A 16 U H6 . 34321 1 256 . 1 . 1 16 16 U C1' C 13 94.46 0.05 . 1 . . . . A 16 U C1' . 34321 1 257 . 1 . 1 16 16 U C2' C 13 75.78 0.05 . 1 . . . . A 16 U C2' . 34321 1 258 . 1 . 1 16 16 U C3' C 13 73.02 0.05 . 1 . . . . A 16 U C3' . 34321 1 259 . 1 . 1 16 16 U C4 C 13 167.73 0.05 . 1 . . . . A 16 U C4 . 34321 1 260 . 1 . 1 16 16 U C4' C 13 82.38 0.05 . 1 . . . . A 16 U C4' . 34321 1 261 . 1 . 1 16 16 U C5 C 13 105.00 0.05 . 1 . . . . A 16 U C5 . 34321 1 262 . 1 . 1 16 16 U C5' C 13 63.91 0.05 . 1 . . . . A 16 U C5' . 34321 1 263 . 1 . 1 16 16 U C6 C 13 140.64 0.05 . 1 . . . . A 16 U C6 . 34321 1 264 . 1 . 1 16 16 U N1 N 15 149.60 0.05 . 1 . . . . A 16 U N1 . 34321 1 265 . 1 . 1 16 16 U N3 N 15 161.65 0.05 . 1 . . . . A 16 U N3 . 34321 1 266 . 1 . 1 16 16 U P P 31 -4.44 0.05 . 1 . . . . A 16 U P . 34321 1 267 . 1 . 1 17 17 U H1' H 1 6.03 0.05 . 1 . . . . A 17 U H1' . 34321 1 268 . 1 . 1 17 17 U H2' H 1 3.93 0.05 . 1 . . . . A 17 U H2' . 34321 1 269 . 1 . 1 17 17 U H3' H 1 4.60 0.05 . 1 . . . . A 17 U H3' . 34321 1 270 . 1 . 1 17 17 U H4' H 1 4.41 0.05 . 1 . . . . A 17 U H4' . 34321 1 271 . 1 . 1 17 17 U H5 H 1 5.79 0.05 . 1 . . . . A 17 U H5 . 34321 1 272 . 1 . 1 17 17 U H5' H 1 3.95 0.05 . 1 . . . . A 17 U H5' . 34321 1 273 . 1 . 1 17 17 U H5'' H 1 4.20 0.05 . 1 . . . . A 17 U H5'' . 34321 1 274 . 1 . 1 17 17 U H6 H 1 7.95 0.05 . 1 . . . . A 17 U H6 . 34321 1 275 . 1 . 1 17 17 U C1' C 13 89.07 0.05 . 1 . . . . A 17 U C1' . 34321 1 276 . 1 . 1 17 17 U C2' C 13 77.54 0.05 . 1 . . . . A 17 U C2' . 34321 1 277 . 1 . 1 17 17 U C3' C 13 74.49 0.05 . 1 . . . . A 17 U C3' . 34321 1 278 . 1 . 1 17 17 U C4 C 13 168.76 0.05 . 1 . . . . A 17 U C4 . 34321 1 279 . 1 . 1 17 17 U C4' C 13 86.90 0.05 . 1 . . . . A 17 U C4' . 34321 1 280 . 1 . 1 17 17 U C5 C 13 105.38 0.05 . 1 . . . . A 17 U C5 . 34321 1 281 . 1 . 1 17 17 U C5' C 13 67.62 0.05 . 1 . . . . A 17 U C5' . 34321 1 282 . 1 . 1 17 17 U C6 C 13 144.62 0.05 . 1 . . . . A 17 U C6 . 34321 1 283 . 1 . 1 17 17 U N1 N 15 146.51 0.05 . 1 . . . . A 17 U N1 . 34321 1 284 . 1 . 1 17 17 U N3 N 15 160.19 0.05 . 1 . . . . A 17 U N3 . 34321 1 285 . 1 . 1 17 17 U P P 31 -3.49 0.05 . 1 . . . . A 17 U P . 34321 1 286 . 1 . 1 18 18 C H1' H 1 5.89 0.05 . 1 . . . . A 18 C H1' . 34321 1 287 . 1 . 1 18 18 C H2' H 1 4.02 0.05 . 1 . . . . A 18 C H2' . 34321 1 288 . 1 . 1 18 18 C H3' H 1 4.41 0.05 . 1 . . . . A 18 C H3' . 34321 1 289 . 1 . 1 18 18 C H4' H 1 3.71 0.05 . 1 . . . . A 18 C H4' . 34321 1 290 . 1 . 1 18 18 C H5 H 1 6.07 0.05 . 1 . . . . A 18 C H5 . 34321 1 291 . 1 . 1 18 18 C H5' H 1 2.64 0.05 . 1 . . . . A 18 C H5' . 34321 1 292 . 1 . 1 18 18 C H5'' H 1 3.53 0.05 . 1 . . . . A 18 C H5'' . 34321 1 293 . 1 . 1 18 18 C H6 H 1 7.61 0.05 . 1 . . . . A 18 C H6 . 34321 1 294 . 1 . 1 18 18 C H41 H 1 6.13 0.05 . 1 . . . . A 18 C H41 . 34321 1 295 . 1 . 1 18 18 C H42 H 1 6.88 0.05 . 1 . . . . A 18 C H42 . 34321 1 296 . 1 . 1 18 18 C C1' C 13 88.95 0.05 . 1 . . . . A 18 C C1' . 34321 1 297 . 1 . 1 18 18 C C2' C 13 77.44 0.05 . 1 . . . . A 18 C C2' . 34321 1 298 . 1 . 1 18 18 C C3' C 13 80.23 0.05 . 1 . . . . A 18 C C3' . 34321 1 299 . 1 . 1 18 18 C C4 C 13 167.98 0.05 . 1 . . . . A 18 C C4 . 34321 1 300 . 1 . 1 18 18 C C4' C 13 84.33 0.05 . 1 . . . . A 18 C C4' . 34321 1 301 . 1 . 1 18 18 C C5 C 13 98.62 0.05 . 1 . . . . A 18 C C5 . 34321 1 302 . 1 . 1 18 18 C C5' C 13 67.31 0.05 . 1 . . . . A 18 C C5' . 34321 1 303 . 1 . 1 18 18 C C6 C 13 142.73 0.05 . 1 . . . . A 18 C C6 . 34321 1 304 . 1 . 1 18 18 C N1 N 15 153.32 0.05 . 1 . . . . A 18 C N1 . 34321 1 305 . 1 . 1 18 18 C P P 31 -5.03 0.05 . 1 . . . . A 18 C P . 34321 1 306 . 1 . 1 19 19 G H1 H 1 9.60 0.05 . 1 . . . . A 19 G H1 . 34321 1 307 . 1 . 1 19 19 G H1' H 1 5.89 0.05 . 1 . . . . A 19 G H1' . 34321 1 308 . 1 . 1 19 19 G H2' H 1 4.80 0.05 . 1 . . . . A 19 G H2' . 34321 1 309 . 1 . 1 19 19 G H3' H 1 5.57 0.05 . 1 . . . . A 19 G H3' . 34321 1 310 . 1 . 1 19 19 G H4' H 1 4.33 0.05 . 1 . . . . A 19 G H4' . 34321 1 311 . 1 . 1 19 19 G H5' H 1 4.11 0.05 . 1 . . . . A 19 G H5' . 34321 1 312 . 1 . 1 19 19 G H5'' H 1 4.33 0.05 . 1 . . . . A 19 G H5'' . 34321 1 313 . 1 . 1 19 19 G H8 H 1 7.78 0.05 . 1 . . . . A 19 G H8 . 34321 1 314 . 1 . 1 19 19 G C1' C 13 94.49 0.05 . 1 . . . . A 19 G C1' . 34321 1 315 . 1 . 1 19 19 G C2' C 13 77.15 0.05 . 1 . . . . A 19 G C2' . 34321 1 316 . 1 . 1 19 19 G C3' C 13 75.81 0.05 . 1 . . . . A 19 G C3' . 34321 1 317 . 1 . 1 19 19 G C4' C 13 82.99 0.05 . 1 . . . . A 19 G C4' . 34321 1 318 . 1 . 1 19 19 G C5' C 13 68.98 0.05 . 1 . . . . A 19 G C5' . 34321 1 319 . 1 . 1 19 19 G C8 C 13 142.89 0.05 . 1 . . . . A 19 G C8 . 34321 1 320 . 1 . 1 19 19 G N1 N 15 144.90 0.05 . 1 . . . . A 19 G N1 . 34321 1 321 . 1 . 1 19 19 G N7 N 15 231.73 0.05 . 1 . . . . A 19 G N7 . 34321 1 322 . 1 . 1 19 19 G N9 N 15 171.15 0.05 . 1 . . . . A 19 G N9 . 34321 1 323 . 1 . 1 19 19 G P P 31 -4.95 0.05 . 1 . . . . A 19 G P . 34321 1 324 . 1 . 1 20 20 G H1 H 1 12.68 0.05 . 1 . . . . A 20 G H1 . 34321 1 325 . 1 . 1 20 20 G H1' H 1 4.41 0.05 . 1 . . . . A 20 G H1' . 34321 1 326 . 1 . 1 20 20 G H2' H 1 4.34 0.05 . 1 . . . . A 20 G H2' . 34321 1 327 . 1 . 1 20 20 G H3' H 1 4.23 0.05 . 1 . . . . A 20 G H3' . 34321 1 328 . 1 . 1 20 20 G H4' H 1 4.49 0.05 . 1 . . . . A 20 G H4' . 34321 1 329 . 1 . 1 20 20 G H5' H 1 4.20 0.05 . 1 . . . . A 20 G H5' . 34321 1 330 . 1 . 1 20 20 G H5'' H 1 4.47 0.05 . 1 . . . . A 20 G H5'' . 34321 1 331 . 1 . 1 20 20 G H8 H 1 8.23 0.05 . 1 . . . . A 20 G H8 . 34321 1 332 . 1 . 1 20 20 G C1' C 13 92.83 0.05 . 1 . . . . A 20 G C1' . 34321 1 333 . 1 . 1 20 20 G C2' C 13 75.25 0.05 . 1 . . . . A 20 G C2' . 34321 1 334 . 1 . 1 20 20 G C3' C 13 74.61 0.05 . 1 . . . . A 20 G C3' . 34321 1 335 . 1 . 1 20 20 G C4' C 13 83.16 0.05 . 1 . . . . A 20 G C4' . 34321 1 336 . 1 . 1 20 20 G C5' C 13 69.64 0.05 . 1 . . . . A 20 G C5' . 34321 1 337 . 1 . 1 20 20 G C8 C 13 138.77 0.05 . 1 . . . . A 20 G C8 . 34321 1 338 . 1 . 1 20 20 G N1 N 15 149.11 0.05 . 1 . . . . A 20 G N1 . 34321 1 339 . 1 . 1 20 20 G N7 N 15 233.24 0.05 . 1 . . . . A 20 G N7 . 34321 1 340 . 1 . 1 20 20 G N9 N 15 170.48 0.05 . 1 . . . . A 20 G N9 . 34321 1 341 . 1 . 1 21 21 G H1 H 1 13.01 0.05 . 1 . . . . A 21 G H1 . 34321 1 342 . 1 . 1 21 21 G H1' H 1 5.75 0.05 . 1 . . . . A 21 G H1' . 34321 1 343 . 1 . 1 21 21 G H2' H 1 4.42 0.05 . 1 . . . . A 21 G H2' . 34321 1 344 . 1 . 1 21 21 G H3' H 1 4.38 0.05 . 1 . . . . A 21 G H3' . 34321 1 345 . 1 . 1 21 21 G H4' H 1 4.36 0.05 . 1 . . . . A 21 G H4' . 34321 1 346 . 1 . 1 21 21 G H5' H 1 3.95 0.05 . 1 . . . . A 21 G H5' . 34321 1 347 . 1 . 1 21 21 G H5'' H 1 4.41 0.05 . 1 . . . . A 21 G H5'' . 34321 1 348 . 1 . 1 21 21 G H8 H 1 7.21 0.05 . 1 . . . . A 21 G H8 . 34321 1 349 . 1 . 1 21 21 G C1' C 13 92.94 0.05 . 1 . . . . A 21 G C1' . 34321 1 350 . 1 . 1 21 21 G C2' C 13 72.27 0.05 . 1 . . . . A 21 G C2' . 34321 1 351 . 1 . 1 21 21 G C3' C 13 74.99 0.05 . 1 . . . . A 21 G C3' . 34321 1 352 . 1 . 1 21 21 G C4' C 13 81.85 0.05 . 1 . . . . A 21 G C4' . 34321 1 353 . 1 . 1 21 21 G C5' C 13 64.51 0.05 . 1 . . . . A 21 G C5' . 34321 1 354 . 1 . 1 21 21 G C8 C 13 136.23 0.05 . 1 . . . . A 21 G C8 . 34321 1 355 . 1 . 1 21 21 G N1 N 15 150.32 0.05 . 1 . . . . A 21 G N1 . 34321 1 356 . 1 . 1 21 21 G N7 N 15 233.47 0.05 . 1 . . . . A 21 G N7 . 34321 1 357 . 1 . 1 21 21 G N9 N 15 169.32 0.05 . 1 . . . . A 21 G N9 . 34321 1 358 . 1 . 1 22 22 U H1' H 1 5.53 0.05 . 1 . . . . A 22 U H1' . 34321 1 359 . 1 . 1 22 22 U H2' H 1 4.35 0.05 . 1 . . . . A 22 U H2' . 34321 1 360 . 1 . 1 22 22 U H3 H 1 14.00 0.05 . 1 . . . . A 22 U H3 . 34321 1 361 . 1 . 1 22 22 U H3' H 1 4.49 0.05 . 1 . . . . A 22 U H3' . 34321 1 362 . 1 . 1 22 22 U H4' H 1 4.34 0.05 . 1 . . . . A 22 U H4' . 34321 1 363 . 1 . 1 22 22 U H5 H 1 5.05 0.05 . 1 . . . . A 22 U H5 . 34321 1 364 . 1 . 1 22 22 U H6 H 1 7.66 0.05 . 1 . . . . A 22 U H6 . 34321 1 365 . 1 . 1 22 22 U C1' C 13 93.59 0.05 . 1 . . . . A 22 U C1' . 34321 1 366 . 1 . 1 22 22 U C2' C 13 72.12 0.05 . 1 . . . . A 22 U C2' . 34321 1 367 . 1 . 1 22 22 U C3' C 13 75.21 0.05 . 1 . . . . A 22 U C3' . 34321 1 368 . 1 . 1 22 22 U C4 C 13 169.03 0.05 . 1 . . . . A 22 U C4 . 34321 1 369 . 1 . 1 22 22 U C4' C 13 81.88 0.05 . 1 . . . . A 22 U C4' . 34321 1 370 . 1 . 1 22 22 U C5 C 13 102.59 0.05 . 1 . . . . A 22 U C5 . 34321 1 371 . 1 . 1 22 22 U C6 C 13 141.53 0.05 . 1 . . . . A 22 U C6 . 34321 1 372 . 1 . 1 22 22 U N1 N 15 149.60 0.05 . 1 . . . . A 22 U N1 . 34321 1 373 . 1 . 1 22 22 U N3 N 15 164.39 0.05 . 1 . . . . A 22 U N3 . 34321 1 374 . 1 . 1 23 23 C H1' H 1 5.43 0.05 . 1 . . . . A 23 C H1' . 34321 1 375 . 1 . 1 23 23 C H2' H 1 4.25 0.05 . 1 . . . . A 23 C H2' . 34321 1 376 . 1 . 1 23 23 C H3' H 1 4.08 0.05 . 1 . . . . A 23 C H3' . 34321 1 377 . 1 . 1 23 23 C H4' H 1 4.35 0.05 . 1 . . . . A 23 C H4' . 34321 1 378 . 1 . 1 23 23 C H5 H 1 5.51 0.05 . 1 . . . . A 23 C H5 . 34321 1 379 . 1 . 1 23 23 C H5' H 1 3.97 0.05 . 1 . . . . A 23 C H5' . 34321 1 380 . 1 . 1 23 23 C H5'' H 1 4.42 0.05 . 1 . . . . A 23 C H5'' . 34321 1 381 . 1 . 1 23 23 C H6 H 1 7.57 0.05 . 1 . . . . A 23 C H6 . 34321 1 382 . 1 . 1 23 23 C H41 H 1 6.59 0.05 . 1 . . . . A 23 C H41 . 34321 1 383 . 1 . 1 23 23 C H42 H 1 8.01 0.05 . 1 . . . . A 23 C H42 . 34321 1 384 . 1 . 1 23 23 C C1' C 13 93.94 0.05 . 1 . . . . A 23 C C1' . 34321 1 385 . 1 . 1 23 23 C C2' C 13 75.49 0.05 . 1 . . . . A 23 C C2' . 34321 1 386 . 1 . 1 23 23 C C3' C 13 72.37 0.05 . 1 . . . . A 23 C C3' . 34321 1 387 . 1 . 1 23 23 C C4 C 13 168.11 0.05 . 1 . . . . A 23 C C4 . 34321 1 388 . 1 . 1 23 23 C C4' C 13 81.85 0.05 . 1 . . . . A 23 C C4' . 34321 1 389 . 1 . 1 23 23 C C5 C 13 98.09 0.05 . 1 . . . . A 23 C C5 . 34321 1 390 . 1 . 1 23 23 C C5' C 13 64.46 0.05 . 1 . . . . A 23 C C5' . 34321 1 391 . 1 . 1 23 23 C C6 C 13 140.88 0.05 . 1 . . . . A 23 C C6 . 34321 1 392 . 1 . 1 23 23 C N1 N 15 154.04 0.05 . 1 . . . . A 23 C N1 . 34321 1 393 . 1 . 1 23 23 C N3 N 15 198.07 0.05 . 1 . . . . A 23 C N3 . 34321 1 394 . 1 . 1 24 24 U H1' H 1 5.29 0.05 . 1 . . . . A 24 U H1' . 34321 1 395 . 1 . 1 24 24 U H2' H 1 3.62 0.05 . 1 . . . . A 24 U H2' . 34321 1 396 . 1 . 1 24 24 U H3 H 1 10.92 0.05 . 1 . . . . A 24 U H3 . 34321 1 397 . 1 . 1 24 24 U H3' H 1 4.02 0.05 . 1 . . . . A 24 U H3' . 34321 1 398 . 1 . 1 24 24 U H4' H 1 4.11 0.05 . 1 . . . . A 24 U H4' . 34321 1 399 . 1 . 1 24 24 U H5 H 1 5.26 0.05 . 1 . . . . A 24 U H5 . 34321 1 400 . 1 . 1 24 24 U H5' H 1 3.94 0.05 . 1 . . . . A 24 U H5' . 34321 1 401 . 1 . 1 24 24 U H5'' H 1 4.32 0.05 . 1 . . . . A 24 U H5'' . 34321 1 402 . 1 . 1 24 24 U H6 H 1 7.22 0.05 . 1 . . . . A 24 U H6 . 34321 1 403 . 1 . 1 24 24 U C1' C 13 95.01 0.05 . 1 . . . . A 24 U C1' . 34321 1 404 . 1 . 1 24 24 U C2' C 13 75.61 0.05 . 1 . . . . A 24 U C2' . 34321 1 405 . 1 . 1 24 24 U C3' C 13 72.01 0.05 . 1 . . . . A 24 U C3' . 34321 1 406 . 1 . 1 24 24 U C4 C 13 166.24 0.05 . 1 . . . . A 24 U C4 . 34321 1 407 . 1 . 1 24 24 U C4' C 13 83.02 0.05 . 1 . . . . A 24 U C4' . 34321 1 408 . 1 . 1 24 24 U C5 C 13 104.81 0.05 . 1 . . . . A 24 U C5 . 34321 1 409 . 1 . 1 24 24 U C5' C 13 64.47 0.05 . 1 . . . . A 24 U C5' . 34321 1 410 . 1 . 1 24 24 U C6 C 13 139.91 0.05 . 1 . . . . A 24 U C6 . 34321 1 411 . 1 . 1 24 24 U N1 N 15 147.84 0.05 . 1 . . . . A 24 U N1 . 34321 1 412 . 1 . 1 24 24 U N3 N 15 158.39 0.05 . 1 . . . . A 24 U N3 . 34321 1 413 . 1 . 1 24 24 U P P 31 -3.99 0.05 . 1 . . . . A 24 U P . 34321 1 414 . 1 . 1 25 25 G H1 H 1 10.31 0.05 . 1 . . . . A 25 G H1 . 34321 1 415 . 1 . 1 25 25 G H1' H 1 5.65 0.05 . 1 . . . . A 25 G H1' . 34321 1 416 . 1 . 1 25 25 G H2' H 1 4.95 0.05 . 1 . . . . A 25 G H2' . 34321 1 417 . 1 . 1 25 25 G H3' H 1 4.75 0.05 . 1 . . . . A 25 G H3' . 34321 1 418 . 1 . 1 25 25 G H4' H 1 4.63 0.05 . 1 . . . . A 25 G H4' . 34321 1 419 . 1 . 1 25 25 G H5' H 1 3.97 0.05 . 1 . . . . A 25 G H5' . 34321 1 420 . 1 . 1 25 25 G H5'' H 1 4.18 0.05 . 1 . . . . A 25 G H5'' . 34321 1 421 . 1 . 1 25 25 G H8 H 1 8.12 0.05 . 1 . . . . A 25 G H8 . 34321 1 422 . 1 . 1 25 25 G C1' C 13 88.77 0.05 . 1 . . . . A 25 G C1' . 34321 1 423 . 1 . 1 25 25 G C2' C 13 75.77 0.05 . 1 . . . . A 25 G C2' . 34321 1 424 . 1 . 1 25 25 G C3' C 13 78.93 0.05 . 1 . . . . A 25 G C3' . 34321 1 425 . 1 . 1 25 25 G C4' C 13 87.54 0.05 . 1 . . . . A 25 G C4' . 34321 1 426 . 1 . 1 25 25 G C5' C 13 67.75 0.05 . 1 . . . . A 25 G C5' . 34321 1 427 . 1 . 1 25 25 G C8 C 13 138.31 0.05 . 1 . . . . A 25 G C8 . 34321 1 428 . 1 . 1 25 25 G N1 N 15 146.40 0.05 . 1 . . . . A 25 G N1 . 34321 1 429 . 1 . 1 25 25 G N7 N 15 237.99 0.05 . 1 . . . . A 25 G N7 . 34321 1 430 . 1 . 1 25 25 G N9 N 15 167.65 0.05 . 1 . . . . A 25 G N9 . 34321 1 431 . 1 . 1 25 25 G P P 31 -4.82 0.05 . 1 . . . . A 25 G P . 34321 1 432 . 1 . 1 26 26 A H1' H 1 6.34 0.05 . 1 . . . . A 26 A H1' . 34321 1 433 . 1 . 1 26 26 A H2 H 1 8.52 0.05 . 1 . . . . A 26 A H2 . 34321 1 434 . 1 . 1 26 26 A H2' H 1 4.46 0.05 . 1 . . . . A 26 A H2' . 34321 1 435 . 1 . 1 26 26 A H3' H 1 4.66 0.05 . 1 . . . . A 26 A H3' . 34321 1 436 . 1 . 1 26 26 A H4' H 1 4.77 0.05 . 1 . . . . A 26 A H4' . 34321 1 437 . 1 . 1 26 26 A H5' H 1 3.87 0.05 . 1 . . . . A 26 A H5' . 34321 1 438 . 1 . 1 26 26 A H5'' H 1 4.05 0.05 . 1 . . . . A 26 A H5'' . 34321 1 439 . 1 . 1 26 26 A H8 H 1 7.78 0.05 . 1 . . . . A 26 A H8 . 34321 1 440 . 1 . 1 26 26 A C1' C 13 92.74 0.05 . 1 . . . . A 26 A C1' . 34321 1 441 . 1 . 1 26 26 A C2 C 13 156.45 0.05 . 1 . . . . A 26 A C2 . 34321 1 442 . 1 . 1 26 26 A C2' C 13 77.94 0.05 . 1 . . . . A 26 A C2' . 34321 1 443 . 1 . 1 26 26 A C3' C 13 75.94 0.05 . 1 . . . . A 26 A C3' . 34321 1 444 . 1 . 1 26 26 A C4' C 13 83.15 0.05 . 1 . . . . A 26 A C4' . 34321 1 445 . 1 . 1 26 26 A C5' C 13 64.50 0.05 . 1 . . . . A 26 A C5' . 34321 1 446 . 1 . 1 26 26 A C8 C 13 140.44 0.05 . 1 . . . . A 26 A C8 . 34321 1 447 . 1 . 1 26 26 A N1 N 15 220.69 0.05 . 1 . . . . A 26 A N1 . 34321 1 448 . 1 . 1 26 26 A N3 N 15 214.59 0.05 . 1 . . . . A 26 A N3 . 34321 1 449 . 1 . 1 26 26 A N7 N 15 236.00 0.05 . 1 . . . . A 26 A N7 . 34321 1 450 . 1 . 1 26 26 A N9 N 15 167.52 0.05 . 1 . . . . A 26 A N9 . 34321 1 451 . 1 . 1 27 27 G H1 H 1 12.85 0.05 . 1 . . . . A 27 G H1 . 34321 1 452 . 1 . 1 27 27 G H1' H 1 5.67 0.05 . 1 . . . . A 27 G H1' . 34321 1 453 . 1 . 1 27 27 G H2' H 1 3.95 0.05 . 1 . . . . A 27 G H2' . 34321 1 454 . 1 . 1 27 27 G H3' H 1 4.11 0.05 . 1 . . . . A 27 G H3' . 34321 1 455 . 1 . 1 27 27 G H4' H 1 4.09 0.05 . 1 . . . . A 27 G H4' . 34321 1 456 . 1 . 1 27 27 G H5' H 1 4.10 0.05 . 1 . . . . A 27 G H5' . 34321 1 457 . 1 . 1 27 27 G H5'' H 1 4.39 0.05 . 1 . . . . A 27 G H5'' . 34321 1 458 . 1 . 1 27 27 G H8 H 1 8.13 0.05 . 1 . . . . A 27 G H8 . 34321 1 459 . 1 . 1 27 27 G C1' C 13 92.93 0.05 . 1 . . . . A 27 G C1' . 34321 1 460 . 1 . 1 27 27 G C2' C 13 77.58 0.05 . 1 . . . . A 27 G C2' . 34321 1 461 . 1 . 1 27 27 G C3' C 13 69.48 0.05 . 1 . . . . A 27 G C3' . 34321 1 462 . 1 . 1 27 27 G C4' C 13 83.13 0.05 . 1 . . . . A 27 G C4' . 34321 1 463 . 1 . 1 27 27 G C5' C 13 64.60 0.05 . 1 . . . . A 27 G C5' . 34321 1 464 . 1 . 1 27 27 G C8 C 13 139.16 0.05 . 1 . . . . A 27 G C8 . 34321 1 465 . 1 . 1 27 27 G N1 N 15 149.93 0.05 . 1 . . . . A 27 G N1 . 34321 1 466 . 1 . 1 27 27 G N7 N 15 233.28 0.05 . 1 . . . . A 27 G N7 . 34321 1 467 . 1 . 1 27 27 G N9 N 15 170.07 0.05 . 1 . . . . A 27 G N9 . 34321 1 468 . 1 . 1 27 27 G P P 31 -4.62 0.05 . 1 . . . . A 27 G P . 34321 1 469 . 1 . 1 28 28 U H1' H 1 5.71 0.05 . 1 . . . . A 28 U H1' . 34321 1 470 . 1 . 1 28 28 U H2' H 1 4.60 0.05 . 1 . . . . A 28 U H2' . 34321 1 471 . 1 . 1 28 28 U H3 H 1 13.43 0.05 . 1 . . . . A 28 U H3 . 34321 1 472 . 1 . 1 28 28 U H3' H 1 4.40 0.05 . 1 . . . . A 28 U H3' . 34321 1 473 . 1 . 1 28 28 U H4' H 1 4.35 0.05 . 1 . . . . A 28 U H4' . 34321 1 474 . 1 . 1 28 28 U H5 H 1 5.18 0.05 . 1 . . . . A 28 U H5 . 34321 1 475 . 1 . 1 28 28 U H6 H 1 8.01 0.05 . 1 . . . . A 28 U H6 . 34321 1 476 . 1 . 1 28 28 U C1' C 13 93.33 0.05 . 1 . . . . A 28 U C1' . 34321 1 477 . 1 . 1 28 28 U C2' C 13 75.12 0.05 . 1 . . . . A 28 U C2' . 34321 1 478 . 1 . 1 28 28 U C3' C 13 74.84 0.05 . 1 . . . . A 28 U C3' . 34321 1 479 . 1 . 1 28 28 U C4 C 13 169.11 0.05 . 1 . . . . A 28 U C4 . 34321 1 480 . 1 . 1 28 28 U C4' C 13 81.79 0.05 . 1 . . . . A 28 U C4' . 34321 1 481 . 1 . 1 28 28 U C5 C 13 103.02 0.05 . 1 . . . . A 28 U C5 . 34321 1 482 . 1 . 1 28 28 U C6 C 13 141.62 0.05 . 1 . . . . A 28 U C6 . 34321 1 483 . 1 . 1 28 28 U N1 N 15 149.09 0.05 . 1 . . . . A 28 U N1 . 34321 1 484 . 1 . 1 28 28 U N3 N 15 163.79 0.05 . 1 . . . . A 28 U N3 . 34321 1 485 . 1 . 1 29 29 G H1 H 1 12.45 0.05 . 1 . . . . A 29 G H1 . 34321 1 486 . 1 . 1 29 29 G H1' H 1 5.80 0.05 . 1 . . . . A 29 G H1' . 34321 1 487 . 1 . 1 29 29 G H2' H 1 4.38 0.05 . 1 . . . . A 29 G H2' . 34321 1 488 . 1 . 1 29 29 G H3' H 1 4.60 0.05 . 1 . . . . A 29 G H3' . 34321 1 489 . 1 . 1 29 29 G H4' H 1 4.44 0.05 . 1 . . . . A 29 G H4' . 34321 1 490 . 1 . 1 29 29 G H5' H 1 4.08 0.05 . 1 . . . . A 29 G H5' . 34321 1 491 . 1 . 1 29 29 G H8 H 1 7.79 0.05 . 1 . . . . A 29 G H8 . 34321 1 492 . 1 . 1 29 29 G C1' C 13 92.54 0.05 . 1 . . . . A 29 G C1' . 34321 1 493 . 1 . 1 29 29 G C2' C 13 75.32 0.05 . 1 . . . . A 29 G C2' . 34321 1 494 . 1 . 1 29 29 G C3' C 13 72.31 0.05 . 1 . . . . A 29 G C3' . 34321 1 495 . 1 . 1 29 29 G C4' C 13 81.89 0.05 . 1 . . . . A 29 G C4' . 34321 1 496 . 1 . 1 29 29 G C5' C 13 64.74 0.05 . 1 . . . . A 29 G C5' . 34321 1 497 . 1 . 1 29 29 G C8 C 13 136.14 0.05 . 1 . . . . A 29 G C8 . 34321 1 498 . 1 . 1 29 29 G N1 N 15 149.67 0.05 . 1 . . . . A 29 G N1 . 34321 1 499 . 1 . 1 29 29 G N7 N 15 234.52 0.05 . 1 . . . . A 29 G N7 . 34321 1 500 . 1 . 1 29 29 G N9 N 15 170.45 0.05 . 1 . . . . A 29 G N9 . 34321 1 501 . 1 . 1 30 30 C H1' H 1 5.40 0.05 . 1 . . . . A 30 C H1' . 34321 1 502 . 1 . 1 30 30 C H2' H 1 4.32 0.05 . 1 . . . . A 30 C H2' . 34321 1 503 . 1 . 1 30 30 C H3' H 1 4.50 0.05 . 1 . . . . A 30 C H3' . 34321 1 504 . 1 . 1 30 30 C H4' H 1 4.38 0.05 . 1 . . . . A 30 C H4' . 34321 1 505 . 1 . 1 30 30 C H5 H 1 5.21 0.05 . 1 . . . . A 30 C H5 . 34321 1 506 . 1 . 1 30 30 C H5' H 1 4.04 0.05 . 1 . . . . A 30 C H5' . 34321 1 507 . 1 . 1 30 30 C H5'' H 1 4.40 0.05 . 1 . . . . A 30 C H5'' . 34321 1 508 . 1 . 1 30 30 C H6 H 1 7.63 0.05 . 1 . . . . A 30 C H6 . 34321 1 509 . 1 . 1 30 30 C H41 H 1 6.77 0.05 . 1 . . . . A 30 C H41 . 34321 1 510 . 1 . 1 30 30 C H42 H 1 8.34 0.05 . 1 . . . . A 30 C H42 . 34321 1 511 . 1 . 1 30 30 C C1' C 13 93.75 0.05 . 1 . . . . A 30 C C1' . 34321 1 512 . 1 . 1 30 30 C C2' C 13 75.49 0.05 . 1 . . . . A 30 C C2' . 34321 1 513 . 1 . 1 30 30 C C3' C 13 72.02 0.05 . 1 . . . . A 30 C C3' . 34321 1 514 . 1 . 1 30 30 C C4 C 13 167.98 0.05 . 1 . . . . A 30 C C4 . 34321 1 515 . 1 . 1 30 30 C C4' C 13 81.78 0.05 . 1 . . . . A 30 C C4' . 34321 1 516 . 1 . 1 30 30 C C5 C 13 97.26 0.05 . 1 . . . . A 30 C C5 . 34321 1 517 . 1 . 1 30 30 C C5' C 13 64.60 0.05 . 1 . . . . A 30 C C5' . 34321 1 518 . 1 . 1 30 30 C C6 C 13 140.72 0.05 . 1 . . . . A 30 C C6 . 34321 1 519 . 1 . 1 30 30 C N1 N 15 153.69 0.05 . 1 . . . . A 30 C N1 . 34321 1 520 . 1 . 1 30 30 C N3 N 15 198.73 0.05 . 1 . . . . A 30 C N3 . 34321 1 521 . 1 . 1 31 31 C H1' H 1 5.60 0.05 . 1 . . . . A 31 C H1' . 34321 1 522 . 1 . 1 31 31 C H2' H 1 3.83 0.05 . 1 . . . . A 31 C H2' . 34321 1 523 . 1 . 1 31 31 C H3' H 1 4.05 0.05 . 1 . . . . A 31 C H3' . 34321 1 524 . 1 . 1 31 31 C H4' H 1 4.05 0.05 . 1 . . . . A 31 C H4' . 34321 1 525 . 1 . 1 31 31 C H5 H 1 5.58 0.05 . 1 . . . . A 31 C H5 . 34321 1 526 . 1 . 1 31 31 C H5' H 1 3.93 0.05 . 1 . . . . A 31 C H5' . 34321 1 527 . 1 . 1 31 31 C H5'' H 1 4.29 0.05 . 1 . . . . A 31 C H5'' . 34321 1 528 . 1 . 1 31 31 C H6 H 1 7.65 0.05 . 1 . . . . A 31 C H6 . 34321 1 529 . 1 . 1 31 31 C C1' C 13 92.66 0.05 . 1 . . . . A 31 C C1' . 34321 1 530 . 1 . 1 31 31 C C2' C 13 77.39 0.05 . 1 . . . . A 31 C C2' . 34321 1 531 . 1 . 1 31 31 C C3' C 13 69.84 0.05 . 1 . . . . A 31 C C3' . 34321 1 532 . 1 . 1 31 31 C C4 C 13 167.74 0.05 . 1 . . . . A 31 C C4 . 34321 1 533 . 1 . 1 31 31 C C4' C 13 83.69 0.05 . 1 . . . . A 31 C C4' . 34321 1 534 . 1 . 1 31 31 C C5 C 13 97.79 0.05 . 1 . . . . A 31 C C5 . 34321 1 535 . 1 . 1 31 31 C C5' C 13 65.20 0.05 . 1 . . . . A 31 C C5' . 34321 1 536 . 1 . 1 31 31 C C6 C 13 141.88 0.05 . 1 . . . . A 31 C C6 . 34321 1 537 . 1 . 1 31 31 C N1 N 15 155.97 0.05 . 1 . . . . A 31 C N1 . 34321 1 stop_ save_