data_30701 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30701 _Entry.Title ; 61 nt human Hepatitis B virus epsilon pre-genomic RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-17 _Entry.Accession_date 2019-12-17 _Entry.Last_release_date 2020-01-17 _Entry.Original_release_date 2020-01-17 _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' 30701 2 'SOLUTION SCATTERING' 'SOLUTION SCATTERING' 30701 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 R. LeBlanc R. M. . . 30701 2 W. Kasprzak W. K. . . 30701 3 A. Longhini A. P. . . 30701 4 F. Abulwerdi F. . . . 30701 5 S. Ginocchio S. . . . 30701 6 B. Shields B. . . . 30701 7 J. Nyman J. . . . 30701 8 M. Svirydava M. . . . 30701 9 C. 'Del Vecchio' C. . . . 30701 10 J. Ivanic J. . . . 30701 11 J. Schneekloth J. S. . . 30701 12 T. Dayie T. K. . . 30701 13 B. Shapiro B. A. . . 30701 14 S. 'Le Grice' S. F.J. . . 30701 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 30701 'non-coding RNA' . 30701 'viral RNA' . 30701 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30701 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 30701 '15N chemical shifts' 27 30701 '1H chemical shifts' 283 30701 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 . . 2023-03-03 2019-12-17 update BMRB 'update entry citation' 30701 1 . . 2020-12-26 2019-12-17 original author 'original release' 30701 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6VAR . 30701 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30701 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34155954 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural insights of the conserved "priming loop" of hepatitis B virus pre-genomic RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. Struct. Dyn.' _Citation.Journal_name_full 'Journal of biomolecular structure & dynamics' _Citation.Journal_volume 40 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1538-0254 _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 9761 _Citation.Page_last 9773 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Regan LeBlanc R. M. . . 30701 1 2 Wojciech Kasprzak W. K. . . 30701 1 3 Andrew Longhini A. P. . . 30701 1 4 Lukasz Olenginski L. T. . . 30701 1 5 Fardokht Abulwerdi F. . . . 30701 1 6 Stefano Ginocchio S. . . . 30701 1 7 Brigit Shields B. . . . 30701 1 8 Julie Nyman J. . . . 30701 1 9 Maryia Svirydava M. . . . 30701 1 10 Claudia 'Del Vecchio' C. . . . 30701 1 11 Joseph Ivanic J. . . . 30701 1 12 John Schneekloth J. S. Jr . 30701 1 13 Bruce Shapiro B. A. . . 30701 1 14 'Theodore Kwaku' Dayie T. K. . . 30701 1 15 Stuart 'Le Grice' . . . . 30701 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30701 _Assembly.ID 1 _Assembly.Name 'RNA (61-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 . . . . . . 30701 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30701 _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 ; GGUUCAUGUCCUACUGUUCA AGCCUCCAAGCUGUGCCUUG GGUGGCUUUGGGGCAUGGAC C ; _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 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19541.488 _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 . 30701 1 2 . G . 30701 1 3 . U . 30701 1 4 . U . 30701 1 5 . C . 30701 1 6 . A . 30701 1 7 . U . 30701 1 8 . G . 30701 1 9 . U . 30701 1 10 . C . 30701 1 11 . C . 30701 1 12 . U . 30701 1 13 . A . 30701 1 14 . C . 30701 1 15 . U . 30701 1 16 . G . 30701 1 17 . U . 30701 1 18 . U . 30701 1 19 . C . 30701 1 20 . A . 30701 1 21 . A . 30701 1 22 . G . 30701 1 23 . C . 30701 1 24 . C . 30701 1 25 . U . 30701 1 26 . C . 30701 1 27 . C . 30701 1 28 . A . 30701 1 29 . A . 30701 1 30 . G . 30701 1 31 . C . 30701 1 32 . U . 30701 1 33 . G . 30701 1 34 . U . 30701 1 35 . G . 30701 1 36 . C . 30701 1 37 . C . 30701 1 38 . U . 30701 1 39 . U . 30701 1 40 . G . 30701 1 41 . G . 30701 1 42 . G . 30701 1 43 . U . 30701 1 44 . G . 30701 1 45 . G . 30701 1 46 . C . 30701 1 47 . U . 30701 1 48 . U . 30701 1 49 . U . 30701 1 50 . G . 30701 1 51 . G . 30701 1 52 . G . 30701 1 53 . G . 30701 1 54 . C . 30701 1 55 . A . 30701 1 56 . U . 30701 1 57 . G . 30701 1 58 . G . 30701 1 59 . A . 30701 1 60 . C . 30701 1 61 . C . 30701 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 30701 1 . G 2 2 30701 1 . U 3 3 30701 1 . U 4 4 30701 1 . C 5 5 30701 1 . A 6 6 30701 1 . U 7 7 30701 1 . G 8 8 30701 1 . U 9 9 30701 1 . C 10 10 30701 1 . C 11 11 30701 1 . U 12 12 30701 1 . A 13 13 30701 1 . C 14 14 30701 1 . U 15 15 30701 1 . G 16 16 30701 1 . U 17 17 30701 1 . U 18 18 30701 1 . C 19 19 30701 1 . A 20 20 30701 1 . A 21 21 30701 1 . G 22 22 30701 1 . C 23 23 30701 1 . C 24 24 30701 1 . U 25 25 30701 1 . C 26 26 30701 1 . C 27 27 30701 1 . A 28 28 30701 1 . A 29 29 30701 1 . G 30 30 30701 1 . C 31 31 30701 1 . U 32 32 30701 1 . G 33 33 30701 1 . U 34 34 30701 1 . G 35 35 30701 1 . C 36 36 30701 1 . C 37 37 30701 1 . U 38 38 30701 1 . U 39 39 30701 1 . G 40 40 30701 1 . G 41 41 30701 1 . G 42 42 30701 1 . U 43 43 30701 1 . G 44 44 30701 1 . G 45 45 30701 1 . C 46 46 30701 1 . U 47 47 30701 1 . U 48 48 30701 1 . U 49 49 30701 1 . G 50 50 30701 1 . G 51 51 30701 1 . G 52 52 30701 1 . G 53 53 30701 1 . C 54 54 30701 1 . A 55 55 30701 1 . U 56 56 30701 1 . G 57 57 30701 1 . G 58 58 30701 1 . A 59 59 30701 1 . C 60 60 30701 1 . C 61 61 30701 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 30701 _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 . 10407 organism . 'Hepatitis B virus' HBV . . Viruses . Orthohepadnavirus HBV . . . . . . . . . . . . . 30701 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 30701 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30701 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30701 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM, Fully Labeled [U-13C; U-15N] RNA (61-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 (61-MER)' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 0.8 . . mM . . . . 30701 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30701 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM, selective labeled [U-13C; U-15N], A, C, G, U; RNA (61-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 (61-MER)' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 0.8 . . mM . . . . 30701 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30701 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.7 mM 13C-selective RNA (61-MER), 13C-1',6-UC; 13C-1',8-G; 13C-2',8-A; 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 (61-MER)' 13C-selective 1 $assembly 1 $entity_1 . . 0.7 . . mM . . . . 30701 3 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 30701 _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' 10 . mM 30701 1 pH 6.4 . pH 30701 1 pressure 1 . atm 30701 1 temperature 298 . K 30701 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30701 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30701 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30701 1 'structure calculation' . 30701 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30701 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30701 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30701 2 'peak picking' . 30701 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30701 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30701 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Ultrashield Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30701 _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 Ascend . 800 . . . 30701 1 2 NMR_spectrometer_2 Bruker 'Ultrashield Plus' . 600 . . . 30701 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 30701 _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-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30701 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30701 1 9 '3D HCN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 10 '2D HNCCNCH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 1 11 'Filter/Edit NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30701 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 30701 _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 . . . . . 30701 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30701 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30701 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 30701 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30701 1 2 '2D 1H-13C HSQC aliphatic' . . . 30701 1 3 '2D 1H-13C HSQC aromatic' . . . 30701 1 4 '3D 1H-15N NOESY' . . . 30701 1 5 '3D 1H-13C NOESY aliphatic' . . . 30701 1 6 '3D 1H-13C NOESY aromatic' . . . 30701 1 7 '2D 1H-1H NOESY' . . . 30701 1 8 '2D 1H-1H NOESY' . . . 30701 1 9 '3D HCN' . . . 30701 1 10 '2D HNCCNCH' . . . 30701 1 11 'Filter/Edit NOESY' . . . 30701 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 12.82223988 0.03 . 1 . . . . A 1 G H1 . 30701 1 2 . 1 . 1 1 1 G H1' H 1 5.845909595 0.03 . 1 . . . . A 1 G H1' . 30701 1 3 . 1 . 1 1 1 G H2' H 1 4.967179294 0.03 . 1 . . . . A 1 G H2' . 30701 1 4 . 1 . 1 1 1 G H3' H 1 4.707859511 0.03 . 1 . . . . A 1 G H3' . 30701 1 5 . 1 . 1 1 1 G H8 H 1 8.154648781 0.03 . 1 . . . . A 1 G H8 . 30701 1 6 . 1 . 1 1 1 G C1' C 13 91.70180511 0.03 . 1 . . . . A 1 G C1' . 30701 1 7 . 1 . 1 1 1 G C8 C 13 139.1702423 0.03 . 1 . . . . A 1 G C8 . 30701 1 8 . 1 . 1 1 1 G N1 N 15 147.3294067 0.03 . 1 . . . . A 1 G N1 . 30701 1 9 . 1 . 1 2 2 G H1 H 1 13.42475986 0.03 . 1 . . . . A 2 G H1 . 30701 1 10 . 1 . 1 2 2 G H1' H 1 5.945299625 0.03 . 1 . . . . A 2 G H1' . 30701 1 11 . 1 . 1 2 2 G H8 H 1 7.525828838 0.03 . 1 . . . . A 2 G H8 . 30701 1 12 . 1 . 1 2 2 G C1' C 13 93.12581635 0.03 . 1 . . . . A 2 G C1' . 30701 1 13 . 1 . 1 2 2 G C8 C 13 136.8923798 0.03 . 1 . . . . A 2 G C8 . 30701 1 14 . 1 . 1 2 2 G N1 N 15 148.2738342 0.03 . 1 . . . . A 2 G N1 . 30701 1 15 . 1 . 1 3 3 U H1' H 1 5.578409195 0.03 . 1 . . . . A 3 U H1' . 30701 1 16 . 1 . 1 3 3 U H2' H 1 4.701439376 0.03 . 1 . . . . A 3 U H2' . 30701 1 17 . 1 . 1 3 3 U H3 H 1 14.33440018 0.03 . 1 . . . . A 3 U H3 . 30701 1 18 . 1 . 1 3 3 U H5 H 1 5.109508991 0.03 . 1 . . . . A 3 U H5 . 30701 1 19 . 1 . 1 3 3 U H6 H 1 7.686018944 0.03 . 1 . . . . A 3 U H6 . 30701 1 20 . 1 . 1 3 3 U C1' C 13 93.87700653 0.03 . 1 . . . . A 3 U C1' . 30701 1 21 . 1 . 1 3 3 U C5 C 13 102.7949371 0.03 . 1 . . . . A 3 U C5 . 30701 1 22 . 1 . 1 3 3 U C6 C 13 141.4422607 0.03 . 1 . . . . A 3 U C6 . 30701 1 23 . 1 . 1 3 3 U N3 N 15 162.0316467 0.03 . 1 . . . . A 3 U N3 . 30701 1 24 . 1 . 1 4 4 U H1' H 1 5.542629242 0.03 . 1 . . . . A 4 U H1' . 30701 1 25 . 1 . 1 4 4 U H2' H 1 4.189499373 0.03 . 1 . . . . A 4 U H2' . 30701 1 26 . 1 . 1 4 4 U H3 H 1 11.97616959 0.03 . 1 . . . . A 4 U H3 . 30701 1 27 . 1 . 1 4 4 U H5 H 1 5.806658745 0.03 . 1 . . . . A 4 U H5 . 30701 1 28 . 1 . 1 4 4 U H6 H 1 7.982179165 0.03 . 1 . . . . A 4 U H6 . 30701 1 29 . 1 . 1 4 4 U C1' C 13 94.19152832 0.03 . 1 . . . . A 4 U C1' . 30701 1 30 . 1 . 1 4 4 U C5 C 13 104.8510971 0.03 . 1 . . . . A 4 U C5 . 30701 1 31 . 1 . 1 4 4 U C6 C 13 141.3919983 0.03 . 1 . . . . A 4 U C6 . 30701 1 32 . 1 . 1 4 4 U N3 N 15 158.6423492 0.03 . 1 . . . . A 4 U N3 . 30701 1 33 . 1 . 1 5 5 C H1' H 1 5.460609436 0.03 . 1 . . . . A 5 C H1' . 30701 1 34 . 1 . 1 5 5 C H2' H 1 4.475769515 0.03 . 1 . . . . A 5 C H2' . 30701 1 35 . 1 . 1 5 5 C H5 H 1 5.710068703 0.03 . 1 . . . . A 5 C H5 . 30701 1 36 . 1 . 1 5 5 C H6 H 1 7.940989017 0.03 . 1 . . . . A 5 C H6 . 30701 1 37 . 1 . 1 5 5 C C1' C 13 93.53410339 0.03 . 1 . . . . A 5 C C1' . 30701 1 38 . 1 . 1 5 5 C C5 C 13 97.73734283 0.03 . 1 . . . . A 5 C C5 . 30701 1 39 . 1 . 1 5 5 C C6 C 13 142.1364899 0.03 . 1 . . . . A 5 C C6 . 30701 1 40 . 1 . 1 6 6 A H1' H 1 5.836729527 0.03 . 1 . . . . A 6 A H1' . 30701 1 41 . 1 . 1 6 6 A H2 H 1 7.29681921 0.03 . 1 . . . . A 6 A H2 . 30701 1 42 . 1 . 1 6 6 A H2' H 1 4.469729419 0.03 . 1 . . . . A 6 A H2' . 30701 1 43 . 1 . 1 6 6 A H8 H 1 8.05933857 0.03 . 1 . . . . A 6 A H8 . 30701 1 44 . 1 . 1 6 6 A C1' C 13 93.00444794 0.03 . 1 . . . . A 6 A C1' . 30701 1 45 . 1 . 1 6 6 A C2 C 13 153.1143494 0.03 . 1 . . . . A 6 A C2 . 30701 1 46 . 1 . 1 6 6 A C8 C 13 139.6008301 0.03 . 1 . . . . A 6 A C8 . 30701 1 47 . 1 . 1 7 7 U H1' H 1 5.474979401 0.03 . 1 . . . . A 7 U H1' . 30701 1 48 . 1 . 1 7 7 U H2' H 1 4.4249196 0.03 . 1 . . . . A 7 U H2' . 30701 1 49 . 1 . 1 7 7 U H3 H 1 13.3785696 0.03 . 1 . . . . A 7 U H3 . 30701 1 50 . 1 . 1 7 7 U H5 H 1 5.053339005 0.03 . 1 . . . . A 7 U H5 . 30701 1 51 . 1 . 1 7 7 U H6 H 1 7.652449131 0.03 . 1 . . . . A 7 U H6 . 30701 1 52 . 1 . 1 7 7 U C1' C 13 93.06482697 0.03 . 1 . . . . A 7 U C1' . 30701 1 53 . 1 . 1 7 7 U C5 C 13 103.0933914 0.03 . 1 . . . . A 7 U C5 . 30701 1 54 . 1 . 1 7 7 U C6 C 13 140.8735809 0.03 . 1 . . . . A 7 U C6 . 30701 1 55 . 1 . 1 7 7 U N3 N 15 161.7825012 0.03 . 1 . . . . A 7 U N3 . 30701 1 56 . 1 . 1 8 8 G H1 H 1 12.66868019 0.03 . 1 . . . . A 8 G H1 . 30701 1 57 . 1 . 1 8 8 G H1' H 1 5.780709267 0.03 . 1 . . . . A 8 G H1' . 30701 1 58 . 1 . 1 8 8 G H8 H 1 7.620998859 0.03 . 1 . . . . A 8 G H8 . 30701 1 59 . 1 . 1 8 8 G C1' C 13 92.84520721 0.03 . 1 . . . . A 8 G C1' . 30701 1 60 . 1 . 1 8 8 G C8 C 13 136.0486908 0.03 . 1 . . . . A 8 G C8 . 30701 1 61 . 1 . 1 8 8 G N1 N 15 147.5177155 0.03 . 1 . . . . A 8 G N1 . 30701 1 62 . 1 . 1 9 9 U H1' H 1 5.418349266 0.03 . 1 . . . . A 9 U H1' . 30701 1 63 . 1 . 1 9 9 U H2' H 1 4.095779414 0.03 . 1 . . . . A 9 U H2' . 30701 1 64 . 1 . 1 9 9 U H3 H 1 12.10225964 0.03 . 1 . . . . A 9 U H3 . 30701 1 65 . 1 . 1 9 9 U H5 H 1 5.437788963 0.03 . 1 . . . . A 9 U H5 . 30701 1 66 . 1 . 1 9 9 U H6 H 1 7.758059025 0.03 . 1 . . . . A 9 U H6 . 30701 1 67 . 1 . 1 9 9 U C1' C 13 93.49517822 0.03 . 1 . . . . A 9 U C1' . 30701 1 68 . 1 . 1 9 9 U C5 C 13 103.9848175 0.03 . 1 . . . . A 9 U C5 . 30701 1 69 . 1 . 1 9 9 U C6 C 13 140.4965973 0.03 . 1 . . . . A 9 U C6 . 30701 1 70 . 1 . 1 9 9 U N3 N 15 158.8538971 0.03 . 1 . . . . A 9 U N3 . 30701 1 71 . 1 . 1 10 10 C H1' H 1 5.591229439 0.03 . 1 . . . . A 10 C H1' . 30701 1 72 . 1 . 1 10 10 C H2' H 1 4.371269221 0.03 . 1 . . . . A 10 C H2' . 30701 1 73 . 1 . 1 10 10 C H5 H 1 5.622879028 0.03 . 1 . . . . A 10 C H5 . 30701 1 74 . 1 . 1 10 10 C H6 H 1 7.912858963 0.03 . 1 . . . . A 10 C H6 . 30701 1 75 . 1 . 1 10 10 C C1' C 13 93.54990387 0.03 . 1 . . . . A 10 C C1' . 30701 1 76 . 1 . 1 10 10 C C5 C 13 97.38778687 0.03 . 1 . . . . A 10 C C5 . 30701 1 77 . 1 . 1 10 10 C C6 C 13 142.4141693 0.03 . 1 . . . . A 10 C C6 . 30701 1 78 . 1 . 1 11 11 C H1' H 1 5.420479298 0.03 . 1 . . . . A 11 C H1' . 30701 1 79 . 1 . 1 11 11 C H2' H 1 4.60015964 0.03 . 1 . . . . A 11 C H2' . 30701 1 80 . 1 . 1 11 11 C H5 H 1 5.475978851 0.03 . 1 . . . . A 11 C H5 . 30701 1 81 . 1 . 1 11 11 C H6 H 1 7.637419224 0.03 . 1 . . . . A 11 C H6 . 30701 1 82 . 1 . 1 11 11 C C1' C 13 94.16135406 0.03 . 1 . . . . A 11 C C1' . 30701 1 83 . 1 . 1 11 11 C C5 C 13 97.77031708 0.03 . 1 . . . . A 11 C C5 . 30701 1 84 . 1 . 1 11 11 C C6 C 13 141.3006287 0.03 . 1 . . . . A 11 C C6 . 30701 1 85 . 1 . 1 12 12 U H1' H 1 5.594709396 0.03 . 1 . . . . A 12 U H1' . 30701 1 86 . 1 . 1 12 12 U H2' H 1 4.296629424 0.03 . 1 . . . . A 12 U H2' . 30701 1 87 . 1 . 1 12 12 U H3 H 1 11.55062008 0.03 . 1 . . . . A 12 U H3 . 30701 1 88 . 1 . 1 12 12 U H5 H 1 5.667258739 0.03 . 1 . . . . A 12 U H5 . 30701 1 89 . 1 . 1 12 12 U H6 H 1 7.800529003 0.03 . 1 . . . . A 12 U H6 . 30701 1 90 . 1 . 1 12 12 U C1' C 13 93.96120453 0.03 . 1 . . . . A 12 U C1' . 30701 1 91 . 1 . 1 12 12 U C5 C 13 104.8542023 0.03 . 1 . . . . A 12 U C5 . 30701 1 92 . 1 . 1 12 12 U C6 C 13 140.9983978 0.03 . 1 . . . . A 12 U C6 . 30701 1 93 . 1 . 1 12 12 U N3 N 15 157.8261566 0.03 . 1 . . . . A 12 U N3 . 30701 1 94 . 1 . 1 13 13 A H1' H 1 5.790009499 0.03 . 1 . . . . A 13 A H1' . 30701 1 95 . 1 . 1 13 13 A H2 H 1 7.499558926 0.03 . 1 . . . . A 13 A H2 . 30701 1 96 . 1 . 1 13 13 A H2' H 1 4.419319625 0.03 . 1 . . . . A 13 A H2' . 30701 1 97 . 1 . 1 13 13 A H8 H 1 8.074309349 0.03 . 1 . . . . A 13 A H8 . 30701 1 98 . 1 . 1 13 13 A C1' C 13 92.62160492 0.03 . 1 . . . . A 13 A C1' . 30701 1 99 . 1 . 1 13 13 A C2 C 13 154.2441101 0.03 . 1 . . . . A 13 A C2 . 30701 1 100 . 1 . 1 13 13 A C8 C 13 139.9602509 0.03 . 1 . . . . A 13 A C8 . 30701 1 101 . 1 . 1 14 14 C H1' H 1 5.395049572 0.03 . 1 . . . . A 14 C H1' . 30701 1 102 . 1 . 1 14 14 C H2' H 1 3.99877953 0.03 . 1 . . . . A 14 C H2' . 30701 1 103 . 1 . 1 14 14 C H3' H 1 4.310209269 0.03 . 1 . . . . A 14 C H3' . 30701 1 104 . 1 . 1 14 14 C H4' H 1 4.228539462 0.03 . 1 . . . . A 14 C H4' . 30701 1 105 . 1 . 1 14 14 C H5 H 1 5.290148735 0.03 . 1 . . . . A 14 C H5 . 30701 1 106 . 1 . 1 14 14 C H6 H 1 7.356978893 0.03 . 1 . . . . A 14 C H6 . 30701 1 107 . 1 . 1 14 14 C C1' C 13 92.74542999 0.03 . 1 . . . . A 14 C C1' . 30701 1 108 . 1 . 1 14 14 C C5 C 13 97.30748749 0.03 . 1 . . . . A 14 C C5 . 30701 1 109 . 1 . 1 14 14 C C6 C 13 141.3384857 0.03 . 1 . . . . A 14 C C6 . 30701 1 110 . 1 . 1 15 15 U H1' H 1 5.66326952 0.03 . 1 . . . . A 15 U H1' . 30701 1 111 . 1 . 1 15 15 U H2' H 1 4.130139346 0.03 . 1 . . . . A 15 U H2' . 30701 1 112 . 1 . 1 15 15 U H3' H 1 4.453449244 0.03 . 1 . . . . A 15 U H3' . 30701 1 113 . 1 . 1 15 15 U H4' H 1 4.130139346 0.03 . 1 . . . . A 15 U H4' . 30701 1 114 . 1 . 1 15 15 U H5 H 1 5.574138641 0.03 . 1 . . . . A 15 U H5 . 30701 1 115 . 1 . 1 15 15 U H6 H 1 7.574129105 0.03 . 1 . . . . A 15 U H6 . 30701 1 116 . 1 . 1 15 15 U C1' C 13 90.86811829 0.03 . 1 . . . . A 15 U C1' . 30701 1 117 . 1 . 1 15 15 U C5 C 13 105.0012131 0.03 . 1 . . . . A 15 U C5 . 30701 1 118 . 1 . 1 15 15 U C6 C 13 142.8019104 0.03 . 1 . . . . A 15 U C6 . 30701 1 119 . 1 . 1 16 16 G H1' H 1 5.741709232 0.03 . 1 . . . . A 16 G H1' . 30701 1 120 . 1 . 1 16 16 G H2' H 1 4.76770925 0.03 . 1 . . . . A 16 G H2' . 30701 1 121 . 1 . 1 16 16 G H3' H 1 4.395379538 0.03 . 1 . . . . A 16 G H3' . 30701 1 122 . 1 . 1 16 16 G H4' H 1 4.395379538 0.03 . 1 . . . . A 16 G H4' . 30701 1 123 . 1 . 1 16 16 G H5' H 1 4.136169429 0.03 . 1 . . . . A 16 G H5' . 30701 1 124 . 1 . 1 16 16 G H5'' H 1 4.065419431 0.03 . 1 . . . . A 16 G H5'' . 30701 1 125 . 1 . 1 16 16 G H8 H 1 7.856079102 0.03 . 1 . . . . A 16 G H8 . 30701 1 126 . 1 . 1 16 16 G C1' C 13 90.37030792 0.03 . 1 . . . . A 16 G C1' . 30701 1 127 . 1 . 1 16 16 G C8 C 13 140.1742859 0.03 . 1 . . . . A 16 G C8 . 30701 1 128 . 1 . 1 17 17 U H1' H 1 5.836689472 0.03 . 1 . . . . A 17 U H1' . 30701 1 129 . 1 . 1 17 17 U H2' H 1 4.307809348 0.03 . 1 . . . . A 17 U H2' . 30701 1 130 . 1 . 1 17 17 U H3' H 1 4.57042932 0.03 . 1 . . . . A 17 U H3' . 30701 1 131 . 1 . 1 17 17 U H4' H 1 4.361689563 0.03 . 1 . . . . A 17 U H4' . 30701 1 132 . 1 . 1 17 17 U H5 H 1 5.724068642 0.03 . 1 . . . . A 17 U H5 . 30701 1 133 . 1 . 1 17 17 U H6 H 1 7.732748985 0.03 . 1 . . . . A 17 U H6 . 30701 1 134 . 1 . 1 17 17 U C1' C 13 90.79416656 0.03 . 1 . . . . A 17 U C1' . 30701 1 135 . 1 . 1 17 17 U C5 C 13 105.1236725 0.03 . 1 . . . . A 17 U C5 . 30701 1 136 . 1 . 1 17 17 U C6 C 13 143.6438904 0.03 . 1 . . . . A 17 U C6 . 30701 1 137 . 1 . 1 18 18 U H1' H 1 5.622339249 0.03 . 1 . . . . A 18 U H1' . 30701 1 138 . 1 . 1 18 18 U H2' H 1 4.241169448 0.03 . 1 . . . . A 18 U H2' . 30701 1 139 . 1 . 1 18 18 U H3' H 1 4.505389686 0.03 . 1 . . . . A 18 U H3' . 30701 1 140 . 1 . 1 18 18 U H4' H 1 4.241169448 0.03 . 1 . . . . A 18 U H4' . 30701 1 141 . 1 . 1 18 18 U H5 H 1 5.652858734 0.03 . 1 . . . . A 18 U H5 . 30701 1 142 . 1 . 1 18 18 U H6 H 1 7.569388866 0.03 . 1 . . . . A 18 U H6 . 30701 1 143 . 1 . 1 18 18 U C1' C 13 90.68883514 0.03 . 1 . . . . A 18 U C1' . 30701 1 144 . 1 . 1 18 18 U C5 C 13 104.9253464 0.03 . 1 . . . . A 18 U C5 . 30701 1 145 . 1 . 1 18 18 U C6 C 13 143.1878204 0.03 . 1 . . . . A 18 U C6 . 30701 1 146 . 1 . 1 19 19 C H1' H 1 5.804469585 0.03 . 1 . . . . A 19 C H1' . 30701 1 147 . 1 . 1 19 19 C H2' H 1 4.40039968 0.03 . 1 . . . . A 19 C H2' . 30701 1 148 . 1 . 1 19 19 C H3' H 1 4.445529456 0.03 . 1 . . . . A 19 C H3' . 30701 1 149 . 1 . 1 19 19 C H4' H 1 4.54672956 0.03 . 1 . . . . A 19 C H4' . 30701 1 150 . 1 . 1 19 19 C H5 H 1 5.782678604 0.03 . 1 . . . . A 19 C H5 . 30701 1 151 . 1 . 1 19 19 C H6 H 1 7.738688946 0.03 . 1 . . . . A 19 C H6 . 30701 1 152 . 1 . 1 19 19 C C1' C 13 92.26493835 0.03 . 1 . . . . A 19 C C1' . 30701 1 153 . 1 . 1 19 19 C C5 C 13 98.61710358 0.03 . 1 . . . . A 19 C C5 . 30701 1 154 . 1 . 1 19 19 C C6 C 13 142.8732605 0.03 . 1 . . . . A 19 C C6 . 30701 1 155 . 1 . 1 20 20 A H1' H 1 5.856509209 0.03 . 1 . . . . A 20 A H1' . 30701 1 156 . 1 . 1 20 20 A H2 H 1 7.408799171 0.03 . 1 . . . . A 20 A H2 . 30701 1 157 . 1 . 1 20 20 A H2' H 1 4.735959525 0.03 . 1 . . . . A 20 A H2' . 30701 1 158 . 1 . 1 20 20 A H8 H 1 8.289038658 0.03 . 1 . . . . A 20 A H8 . 30701 1 159 . 1 . 1 20 20 A C1' C 13 91.97820282 0.03 . 1 . . . . A 20 A C1' . 30701 1 160 . 1 . 1 20 20 A C2 C 13 153.3234406 0.03 . 1 . . . . A 20 A C2 . 30701 1 161 . 1 . 1 20 20 A C8 C 13 140.8096619 0.03 . 1 . . . . A 20 A C8 . 30701 1 162 . 1 . 1 21 21 A H1' H 1 5.936059475 0.03 . 1 . . . . A 21 A H1' . 30701 1 163 . 1 . 1 21 21 A H2 H 1 7.645139217 0.03 . 1 . . . . A 21 A H2 . 30701 1 164 . 1 . 1 21 21 A H2' H 1 4.60263967 0.03 . 1 . . . . A 21 A H2' . 30701 1 165 . 1 . 1 21 21 A H8 H 1 7.904229164 0.03 . 1 . . . . A 21 A H8 . 30701 1 166 . 1 . 1 21 21 A C1' C 13 92.37609863 0.03 . 1 . . . . A 21 A C1' . 30701 1 167 . 1 . 1 21 21 A C2 C 13 153.4043579 0.03 . 1 . . . . A 21 A C2 . 30701 1 168 . 1 . 1 21 21 A C8 C 13 139.5108795 0.03 . 1 . . . . A 21 A C8 . 30701 1 169 . 1 . 1 22 22 G H1 H 1 13.50588989 0.03 . 1 . . . . A 22 G H1 . 30701 1 170 . 1 . 1 22 22 G H1' H 1 5.671409607 0.03 . 1 . . . . A 22 G H1' . 30701 1 171 . 1 . 1 22 22 G H2' H 1 4.395109649 0.03 . 1 . . . . A 22 G H2' . 30701 1 172 . 1 . 1 22 22 G H8 H 1 7.283308983 0.03 . 1 . . . . A 22 G H8 . 30701 1 173 . 1 . 1 22 22 G C1' C 13 92.50014496 0.03 . 1 . . . . A 22 G C1' . 30701 1 174 . 1 . 1 22 22 G C8 C 13 135.718689 0.03 . 1 . . . . A 22 G C8 . 30701 1 175 . 1 . 1 22 22 G N1 N 15 148.3392334 0.03 . 1 . . . . A 22 G N1 . 30701 1 176 . 1 . 1 23 23 C H1' H 1 5.533319473 0.03 . 1 . . . . A 23 C H1' . 30701 1 177 . 1 . 1 23 23 C H2' H 1 4.471879477 0.03 . 1 . . . . A 23 C H2' . 30701 1 178 . 1 . 1 23 23 C H5 H 1 5.182458878 0.03 . 1 . . . . A 23 C H5 . 30701 1 179 . 1 . 1 23 23 C H6 H 1 7.581648827 0.03 . 1 . . . . A 23 C H6 . 30701 1 180 . 1 . 1 23 23 C C1' C 13 93.69748688 0.03 . 1 . . . . A 23 C C1' . 30701 1 181 . 1 . 1 23 23 C C5 C 13 97.10289764 0.03 . 1 . . . . A 23 C C5 . 30701 1 182 . 1 . 1 23 23 C C6 C 13 140.7653198 0.03 . 1 . . . . A 23 C C6 . 30701 1 183 . 1 . 1 24 24 C H1' H 1 5.539809227 0.03 . 1 . . . . A 24 C H1' . 30701 1 184 . 1 . 1 24 24 C H2' H 1 4.47103929 0.03 . 1 . . . . A 24 C H2' . 30701 1 185 . 1 . 1 24 24 C H5 H 1 5.520458698 0.03 . 1 . . . . A 24 C H5 . 30701 1 186 . 1 . 1 24 24 C H6 H 1 7.58658886 0.03 . 1 . . . . A 24 C H6 . 30701 1 187 . 1 . 1 24 24 C C1' C 13 94.30630493 0.03 . 1 . . . . A 24 C C1' . 30701 1 188 . 1 . 1 24 24 C C5 C 13 98.18869019 0.03 . 1 . . . . A 24 C C5 . 30701 1 189 . 1 . 1 24 24 C C6 C 13 140.8969116 0.03 . 1 . . . . A 24 C C6 . 30701 1 190 . 1 . 1 25 25 U H1' H 1 5.636549473 0.03 . 1 . . . . A 25 U H1' . 30701 1 191 . 1 . 1 25 25 U H2' H 1 4.143679614 0.03 . 1 . . . . A 25 U H2' . 30701 1 192 . 1 . 1 25 25 U H3 H 1 11.79961014 0.03 . 1 . . . . A 25 U H3 . 30701 1 193 . 1 . 1 25 25 U H5 H 1 5.696818829 0.03 . 1 . . . . A 25 U H5 . 30701 1 194 . 1 . 1 25 25 U H6 H 1 7.946319103 0.03 . 1 . . . . A 25 U H6 . 30701 1 195 . 1 . 1 25 25 U C1' C 13 93.90042877 0.03 . 1 . . . . A 25 U C1' . 30701 1 196 . 1 . 1 25 25 U C5 C 13 104.6092224 0.03 . 1 . . . . A 25 U C5 . 30701 1 197 . 1 . 1 25 25 U C6 C 13 141.3237305 0.03 . 1 . . . . A 25 U C6 . 30701 1 198 . 1 . 1 25 25 U N3 N 15 158.2975006 0.03 . 1 . . . . A 25 U N3 . 30701 1 199 . 1 . 1 26 26 C H1' H 1 5.464609623 0.03 . 1 . . . . A 26 C H1' . 30701 1 200 . 1 . 1 26 26 C H2' H 1 4.558739657 0.03 . 1 . . . . A 26 C H2' . 30701 1 201 . 1 . 1 26 26 C H5 H 1 5.722378731 0.03 . 1 . . . . A 26 C H5 . 30701 1 202 . 1 . 1 26 26 C H6 H 1 8.008209229 0.03 . 1 . . . . A 26 C H6 . 30701 1 203 . 1 . 1 26 26 C C1' C 13 93.58890533 0.03 . 1 . . . . A 26 C C1' . 30701 1 204 . 1 . 1 26 26 C C5 C 13 97.32647705 0.03 . 1 . . . . A 26 C C5 . 30701 1 205 . 1 . 1 26 26 C C6 C 13 142.4065704 0.03 . 1 . . . . A 26 C C6 . 30701 1 206 . 1 . 1 27 27 C H1' H 1 5.365309238 0.03 . 1 . . . . A 27 C H1' . 30701 1 207 . 1 . 1 27 27 C H2' H 1 4.471709247 0.03 . 1 . . . . A 27 C H2' . 30701 1 208 . 1 . 1 27 27 C H5 H 1 5.515099049 0.03 . 1 . . . . A 27 C H5 . 30701 1 209 . 1 . 1 27 27 C H6 H 1 7.71681881 0.03 . 1 . . . . A 27 C H6 . 30701 1 210 . 1 . 1 27 27 C C1' C 13 94.10891724 0.03 . 1 . . . . A 27 C C1' . 30701 1 211 . 1 . 1 27 27 C C5 C 13 97.66606903 0.03 . 1 . . . . A 27 C C5 . 30701 1 212 . 1 . 1 27 27 C C6 C 13 141.2102203 0.03 . 1 . . . . A 27 C C6 . 30701 1 213 . 1 . 1 28 28 A H1' H 1 5.848279476 0.03 . 1 . . . . A 28 A H1' . 30701 1 214 . 1 . 1 28 28 A H2 H 1 6.728899002 0.03 . 1 . . . . A 28 A H2 . 30701 1 215 . 1 . 1 28 28 A H2' H 1 4.674669261 0.03 . 1 . . . . A 28 A H2' . 30701 1 216 . 1 . 1 28 28 A H8 H 1 8.014009476 0.03 . 1 . . . . A 28 A H8 . 30701 1 217 . 1 . 1 28 28 A C1' C 13 92.80152893 0.03 . 1 . . . . A 28 A C1' . 30701 1 218 . 1 . 1 28 28 A C2 C 13 152.2547607 0.03 . 1 . . . . A 28 A C2 . 30701 1 219 . 1 . 1 28 28 A C8 C 13 139.7120209 0.03 . 1 . . . . A 28 A C8 . 30701 1 220 . 1 . 1 29 29 A H1' H 1 5.804209232 0.03 . 1 . . . . A 29 A H1' . 30701 1 221 . 1 . 1 29 29 A H2 H 1 7.323409081 0.03 . 1 . . . . A 29 A H2 . 30701 1 222 . 1 . 1 29 29 A H2' H 1 4.526059151 0.03 . 1 . . . . A 29 A H2' . 30701 1 223 . 1 . 1 29 29 A H8 H 1 7.703079224 0.03 . 1 . . . . A 29 A H8 . 30701 1 224 . 1 . 1 29 29 A C1' C 13 92.66890717 0.03 . 1 . . . . A 29 A C1' . 30701 1 225 . 1 . 1 29 29 A C2 C 13 152.8663788 0.03 . 1 . . . . A 29 A C2 . 30701 1 226 . 1 . 1 29 29 A C8 C 13 138.9832764 0.03 . 1 . . . . A 29 A C8 . 30701 1 227 . 1 . 1 30 30 G H1 H 1 13.32738018 0.03 . 1 . . . . A 30 G H1 . 30701 1 228 . 1 . 1 30 30 G H1' H 1 5.57749939 0.03 . 1 . . . . A 30 G H1' . 30701 1 229 . 1 . 1 30 30 G H2' H 1 4.124159331 0.03 . 1 . . . . A 30 G H2' . 30701 1 230 . 1 . 1 30 30 G H8 H 1 7.24932909 0.03 . 1 . . . . A 30 G H8 . 30701 1 231 . 1 . 1 30 30 G C1' C 13 93.110466 0.03 . 1 . . . . A 30 G C1' . 30701 1 232 . 1 . 1 30 30 G C8 C 13 135.9916992 0.03 . 1 . . . . A 30 G C8 . 30701 1 233 . 1 . 1 30 30 G N1 N 15 147.8721161 0.03 . 1 . . . . A 30 G N1 . 30701 1 234 . 1 . 1 31 31 C H1' H 1 5.83343935 0.03 . 1 . . . . A 31 C H1' . 30701 1 235 . 1 . 1 31 31 C H2' H 1 4.262349601 0.03 . 1 . . . . A 31 C H2' . 30701 1 236 . 1 . 1 31 31 C H5 H 1 5.162518978 0.03 . 1 . . . . A 31 C H5 . 30701 1 237 . 1 . 1 31 31 C H6 H 1 7.46586895 0.03 . 1 . . . . A 31 C H6 . 30701 1 238 . 1 . 1 31 31 C C1' C 13 91.49981689 0.03 . 1 . . . . A 31 C C1' . 30701 1 239 . 1 . 1 31 31 C C5 C 13 97.93302917 0.03 . 1 . . . . A 31 C C5 . 30701 1 240 . 1 . 1 31 31 C C6 C 13 141.7926483 0.03 . 1 . . . . A 31 C C6 . 30701 1 241 . 1 . 1 32 32 U H1' H 1 5.770979404 0.03 . 1 . . . . A 32 U H1' . 30701 1 242 . 1 . 1 32 32 U H2' H 1 4.283409591 0.03 . 1 . . . . A 32 U H2' . 30701 1 243 . 1 . 1 32 32 U H3' H 1 4.539759631 0.03 . 1 . . . . A 32 U H3' . 30701 1 244 . 1 . 1 32 32 U H4' H 1 4.007049556 0.03 . 1 . . . . A 32 U H4' . 30701 1 245 . 1 . 1 32 32 U H5 H 1 5.799278736 0.03 . 1 . . . . A 32 U H5 . 30701 1 246 . 1 . 1 32 32 U H6 H 1 7.749789238 0.03 . 1 . . . . A 32 U H6 . 30701 1 247 . 1 . 1 32 32 U C1' C 13 91.17472839 0.03 . 1 . . . . A 32 U C1' . 30701 1 248 . 1 . 1 32 32 U C5 C 13 105.0855865 0.03 . 1 . . . . A 32 U C5 . 30701 1 249 . 1 . 1 32 32 U C6 C 13 143.4496765 0.03 . 1 . . . . A 32 U C6 . 30701 1 250 . 1 . 1 33 33 G H1' H 1 5.725839615 0.03 . 1 . . . . A 33 G H1' . 30701 1 251 . 1 . 1 33 33 G H2' H 1 4.817669387 0.03 . 1 . . . . A 33 G H2' . 30701 1 252 . 1 . 1 33 33 G H3' H 1 4.701309676 0.03 . 1 . . . . A 33 G H3' . 30701 1 253 . 1 . 1 33 33 G H4' H 1 4.390009398 0.03 . 1 . . . . A 33 G H4' . 30701 1 254 . 1 . 1 33 33 G H8 H 1 7.917499065 0.03 . 1 . . . . A 33 G H8 . 30701 1 255 . 1 . 1 33 33 G C1' C 13 89.21272278 0.03 . 1 . . . . A 33 G C1' . 30701 1 256 . 1 . 1 33 33 G C8 C 13 140.5584412 0.03 . 1 . . . . A 33 G C8 . 30701 1 257 . 1 . 1 34 34 U H1' H 1 5.540839195 0.03 . 1 . . . . A 34 U H1' . 30701 1 258 . 1 . 1 34 34 U H2' H 1 4.078789229 0.03 . 1 . . . . A 34 U H2' . 30701 1 259 . 1 . 1 34 34 U H3' H 1 4.47929954 0.03 . 1 . . . . A 34 U H3' . 30701 1 260 . 1 . 1 34 34 U H4' H 1 3.750709529 0.03 . 1 . . . . A 34 U H4' . 30701 1 261 . 1 . 1 34 34 U H5 H 1 5.665919781 0.03 . 1 . . . . A 34 U H5 . 30701 1 262 . 1 . 1 34 34 U H6 H 1 7.590319157 0.03 . 1 . . . . A 34 U H6 . 30701 1 263 . 1 . 1 34 34 U C1' C 13 89.47889709 0.03 . 1 . . . . A 34 U C1' . 30701 1 264 . 1 . 1 34 34 U C5 C 13 105.1019669 0.03 . 1 . . . . A 34 U C5 . 30701 1 265 . 1 . 1 34 34 U C6 C 13 143.4460602 0.03 . 1 . . . . A 34 U C6 . 30701 1 266 . 1 . 1 35 35 G H1 H 1 13.11320972 0.03 . 1 . . . . A 35 G H1 . 30701 1 267 . 1 . 1 35 35 G H1' H 1 5.851499557 0.03 . 1 . . . . A 35 G H1' . 30701 1 268 . 1 . 1 35 35 G H2' H 1 4.872069354 0.03 . 1 . . . . A 35 G H2' . 30701 1 269 . 1 . 1 35 35 G H3' H 1 4.97515964 0.03 . 1 . . . . A 35 G H3' . 30701 1 270 . 1 . 1 35 35 G H4' H 1 4.411589618 0.03 . 1 . . . . A 35 G H4' . 30701 1 271 . 1 . 1 35 35 G H8 H 1 7.840098858 0.03 . 1 . . . . A 35 G H8 . 30701 1 272 . 1 . 1 35 35 G C1' C 13 88.75289917 0.03 . 1 . . . . A 35 G C1' . 30701 1 273 . 1 . 1 35 35 G C8 C 13 138.1198883 0.03 . 1 . . . . A 35 G C8 . 30701 1 274 . 1 . 1 35 35 G N1 N 15 148.5184174 0.03 . 1 . . . . A 35 G N1 . 30701 1 275 . 1 . 1 36 36 C H1' H 1 5.992889404 0.03 . 1 . . . . A 36 C H1' . 30701 1 276 . 1 . 1 36 36 C H2' H 1 4.541589255 0.03 . 1 . . . . A 36 C H2' . 30701 1 277 . 1 . 1 36 36 C H3' H 1 4.728809352 0.03 . 1 . . . . A 36 C H3' . 30701 1 278 . 1 . 1 36 36 C H4' H 1 4.460909362 0.03 . 1 . . . . A 36 C H4' . 30701 1 279 . 1 . 1 36 36 C H5 H 1 6.098898888 0.03 . 1 . . . . A 36 C H5 . 30701 1 280 . 1 . 1 36 36 C H5' H 1 4.406829352 0.03 . 1 . . . . A 36 C H5' . 30701 1 281 . 1 . 1 36 36 C H5'' H 1 4.266409392 0.03 . 1 . . . . A 36 C H5'' . 30701 1 282 . 1 . 1 36 36 C H6 H 1 7.845269203 0.03 . 1 . . . . A 36 C H6 . 30701 1 283 . 1 . 1 36 36 C C1' C 13 93.64916992 0.03 . 1 . . . . A 36 C C1' . 30701 1 284 . 1 . 1 36 36 C C5 C 13 99.25106049 0.03 . 1 . . . . A 36 C C5 . 30701 1 285 . 1 . 1 36 36 C C6 C 13 144.64534 0.03 . 1 . . . . A 36 C C6 . 30701 1 286 . 1 . 1 37 37 C H1' H 1 5.4324193 0.03 . 1 . . . . A 37 C H1' . 30701 1 287 . 1 . 1 37 37 C H2' H 1 4.479119298 0.03 . 1 . . . . A 37 C H2' . 30701 1 288 . 1 . 1 37 37 C H5 H 1 5.557108879 0.03 . 1 . . . . A 37 C H5 . 30701 1 289 . 1 . 1 37 37 C H6 H 1 7.682019234 0.03 . 1 . . . . A 37 C H6 . 30701 1 290 . 1 . 1 37 37 C C1' C 13 94.72084808 0.03 . 1 . . . . A 37 C C1' . 30701 1 291 . 1 . 1 37 37 C C5 C 13 97.85733032 0.03 . 1 . . . . A 37 C C5 . 30701 1 292 . 1 . 1 37 37 C C6 C 13 141.4204407 0.03 . 1 . . . . A 37 C C6 . 30701 1 293 . 1 . 1 38 38 U H1' H 1 5.591409206 0.03 . 1 . . . . A 38 U H1' . 30701 1 294 . 1 . 1 38 38 U H2' H 1 4.509109492 0.03 . 1 . . . . A 38 U H2' . 30701 1 295 . 1 . 1 38 38 U H3 H 1 14.28960991 0.03 . 1 . . . . A 38 U H3 . 30701 1 296 . 1 . 1 38 38 U H5 H 1 5.488338947 0.03 . 1 . . . . A 38 U H5 . 30701 1 297 . 1 . 1 38 38 U H6 H 1 8.008209229 0.03 . 1 . . . . A 38 U H6 . 30701 1 298 . 1 . 1 38 38 U C1' C 13 93.8391037 0.03 . 1 . . . . A 38 U C1' . 30701 1 299 . 1 . 1 38 38 U C5 C 13 103.0733109 0.03 . 1 . . . . A 38 U C5 . 30701 1 300 . 1 . 1 38 38 U C6 C 13 142.4065704 0.03 . 1 . . . . A 38 U C6 . 30701 1 301 . 1 . 1 38 38 U N3 N 15 162.5341644 0.03 . 1 . . . . A 38 U N3 . 30701 1 302 . 1 . 1 39 39 U H1' H 1 5.623109341 0.03 . 1 . . . . A 39 U H1' . 30701 1 303 . 1 . 1 39 39 U H3 H 1 13.11050034 0.03 . 1 . . . . A 39 U H3 . 30701 1 304 . 1 . 1 39 39 U H5 H 1 5.601228714 0.03 . 1 . . . . A 39 U H5 . 30701 1 305 . 1 . 1 39 39 U H6 H 1 7.932199001 0.03 . 1 . . . . A 39 U H6 . 30701 1 306 . 1 . 1 39 39 U C1' C 13 93.20420837 0.03 . 1 . . . . A 39 U C1' . 30701 1 307 . 1 . 1 39 39 U C5 C 13 103.7324066 0.03 . 1 . . . . A 39 U C5 . 30701 1 308 . 1 . 1 39 39 U C6 C 13 141.8118286 0.03 . 1 . . . . A 39 U C6 . 30701 1 309 . 1 . 1 39 39 U N3 N 15 162.1286163 0.03 . 1 . . . . A 39 U N3 . 30701 1 310 . 1 . 1 40 40 G H1 H 1 11.95810986 0.03 . 1 . . . . A 40 G H1 . 30701 1 311 . 1 . 1 40 40 G H1' H 1 5.736949444 0.03 . 1 . . . . A 40 G H1' . 30701 1 312 . 1 . 1 40 40 G H2' H 1 4.641989226 0.03 . 1 . . . . A 40 G H2' . 30701 1 313 . 1 . 1 40 40 G H8 H 1 7.654308796 0.03 . 1 . . . . A 40 G H8 . 30701 1 314 . 1 . 1 40 40 G C1' C 13 92.55175781 0.03 . 1 . . . . A 40 G C1' . 30701 1 315 . 1 . 1 40 40 G C8 C 13 136.2042389 0.03 . 1 . . . . A 40 G C8 . 30701 1 316 . 1 . 1 40 40 G N1 N 15 146.4648438 0.03 . 1 . . . . A 40 G N1 . 30701 1 317 . 1 . 1 41 41 G H1 H 1 12.82495022 0.03 . 1 . . . . A 41 G H1 . 30701 1 318 . 1 . 1 41 41 G H1' H 1 5.57749939 0.03 . 1 . . . . A 41 G H1' . 30701 1 319 . 1 . 1 41 41 G H2' H 1 4.517639632 0.03 . 1 . . . . A 41 G H2' . 30701 1 320 . 1 . 1 41 41 G H8 H 1 7.02436924 0.03 . 1 . . . . A 41 G H8 . 30701 1 321 . 1 . 1 41 41 G C1' C 13 93.17580414 0.03 . 1 . . . . A 41 G C1' . 30701 1 322 . 1 . 1 41 41 G C8 C 13 136.1652374 0.03 . 1 . . . . A 41 G C8 . 30701 1 323 . 1 . 1 41 41 G N1 N 15 148.3398438 0.03 . 1 . . . . A 41 G N1 . 30701 1 324 . 1 . 1 42 42 G H1 H 1 10.57703972 0.03 . 1 . . . . A 42 G H1 . 30701 1 325 . 1 . 1 42 42 G H1' H 1 5.806659222 0.03 . 1 . . . . A 42 G H1' . 30701 1 326 . 1 . 1 42 42 G H2' H 1 4.395999427 0.03 . 1 . . . . A 42 G H2' . 30701 1 327 . 1 . 1 42 42 G H3' H 1 4.615229602 0.03 . 1 . . . . A 42 G H3' . 30701 1 328 . 1 . 1 42 42 G H4' H 1 4.518439288 0.03 . 1 . . . . A 42 G H4' . 30701 1 329 . 1 . 1 42 42 G H8 H 1 7.434978962 0.03 . 1 . . . . A 42 G H8 . 30701 1 330 . 1 . 1 42 42 G C1' C 13 90.02773285 0.03 . 1 . . . . A 42 G C1' . 30701 1 331 . 1 . 1 42 42 G C8 C 13 137.960968 0.03 . 1 . . . . A 42 G C8 . 30701 1 332 . 1 . 1 42 42 G N1 N 15 145.2740021 0.03 . 1 . . . . A 42 G N1 . 30701 1 333 . 1 . 1 43 43 U H1' H 1 5.793399811 0.03 . 1 . . . . A 43 U H1' . 30701 1 334 . 1 . 1 43 43 U H5 H 1 5.803608894 0.03 . 1 . . . . A 43 U H5 . 30701 1 335 . 1 . 1 43 43 U H6 H 1 7.84939909 0.03 . 1 . . . . A 43 U H6 . 30701 1 336 . 1 . 1 43 43 U C1' C 13 92.64800262 0.03 . 1 . . . . A 43 U C1' . 30701 1 337 . 1 . 1 43 43 U C5 C 13 104.5443497 0.03 . 1 . . . . A 43 U C5 . 30701 1 338 . 1 . 1 43 43 U C6 C 13 143.6277618 0.03 . 1 . . . . A 43 U C6 . 30701 1 339 . 1 . 1 44 44 G H1 H 1 12.82083035 0.03 . 1 . . . . A 44 G H1 . 30701 1 340 . 1 . 1 44 44 G H1' H 1 5.78330946 0.03 . 1 . . . . A 44 G H1' . 30701 1 341 . 1 . 1 44 44 G H8 H 1 7.630329132 0.03 . 1 . . . . A 44 G H8 . 30701 1 342 . 1 . 1 44 44 G C1' C 13 92.69250488 0.03 . 1 . . . . A 44 G C1' . 30701 1 343 . 1 . 1 44 44 G C8 C 13 137.2991486 0.03 . 1 . . . . A 44 G C8 . 30701 1 344 . 1 . 1 44 44 G N1 N 15 147.9275818 0.03 . 1 . . . . A 44 G N1 . 30701 1 345 . 1 . 1 45 45 G H1 H 1 13.19511032 0.03 . 1 . . . . A 45 G H1 . 30701 1 346 . 1 . 1 45 45 G H1' H 1 5.853129387 0.03 . 1 . . . . A 45 G H1' . 30701 1 347 . 1 . 1 45 45 G H2' H 1 4.64104938 0.03 . 1 . . . . A 45 G H2' . 30701 1 348 . 1 . 1 45 45 G H8 H 1 7.446098804 0.03 . 1 . . . . A 45 G H8 . 30701 1 349 . 1 . 1 45 45 G C1' C 13 93.26428986 0.03 . 1 . . . . A 45 G C1' . 30701 1 350 . 1 . 1 45 45 G C8 C 13 136.8035889 0.03 . 1 . . . . A 45 G C8 . 30701 1 351 . 1 . 1 45 45 G N1 N 15 148.6907043 0.03 . 1 . . . . A 45 G N1 . 30701 1 352 . 1 . 1 46 46 C H1' H 1 5.592689514 0.03 . 1 . . . . A 46 C H1' . 30701 1 353 . 1 . 1 46 46 C H2' H 1 4.460839267 0.03 . 1 . . . . A 46 C H2' . 30701 1 354 . 1 . 1 46 46 C H5 H 1 5.252878666 0.03 . 1 . . . . A 46 C H5 . 30701 1 355 . 1 . 1 46 46 C H6 H 1 7.693018913 0.03 . 1 . . . . A 46 C H6 . 30701 1 356 . 1 . 1 46 46 C C1' C 13 94.25898743 0.03 . 1 . . . . A 46 C C1' . 30701 1 357 . 1 . 1 46 46 C C5 C 13 97.12625885 0.03 . 1 . . . . A 46 C C5 . 30701 1 358 . 1 . 1 46 46 C C6 C 13 141.2564392 0.03 . 1 . . . . A 46 C C6 . 30701 1 359 . 1 . 1 47 47 U H1' H 1 5.66217947 0.03 . 1 . . . . A 47 U H1' . 30701 1 360 . 1 . 1 47 47 U H2' H 1 4.332599635 0.03 . 1 . . . . A 47 U H2' . 30701 1 361 . 1 . 1 47 47 U H3 H 1 14.12032032 0.03 . 1 . . . . A 47 U H3 . 30701 1 362 . 1 . 1 47 47 U H5 H 1 5.484568596 0.03 . 1 . . . . A 47 U H5 . 30701 1 363 . 1 . 1 47 47 U H6 H 1 7.914719105 0.03 . 1 . . . . A 47 U H6 . 30701 1 364 . 1 . 1 47 47 U C1' C 13 93.93900299 0.03 . 1 . . . . A 47 U C1' . 30701 1 365 . 1 . 1 47 47 U C5 C 13 103.6947327 0.03 . 1 . . . . A 47 U C5 . 30701 1 366 . 1 . 1 47 47 U C6 C 13 142.1564484 0.03 . 1 . . . . A 47 U C6 . 30701 1 367 . 1 . 1 47 47 U N3 N 15 162.1499786 0.03 . 1 . . . . A 47 U N3 . 30701 1 368 . 1 . 1 48 48 U H1' H 1 5.949059486 0.03 . 1 . . . . A 48 U H1' . 30701 1 369 . 1 . 1 48 48 U H2' H 1 4.311179633 0.03 . 1 . . . . A 48 U H2' . 30701 1 370 . 1 . 1 48 48 U H3' H 1 4.642179484 0.03 . 1 . . . . A 48 U H3' . 30701 1 371 . 1 . 1 48 48 U H4' H 1 4.45725965 0.03 . 1 . . . . A 48 U H4' . 30701 1 372 . 1 . 1 48 48 U H5 H 1 5.6722188 0.03 . 1 . . . . A 48 U H5 . 30701 1 373 . 1 . 1 48 48 U H6 H 1 7.880959034 0.03 . 1 . . . . A 48 U H6 . 30701 1 374 . 1 . 1 48 48 U C1' C 13 91.79277802 0.03 . 1 . . . . A 48 U C1' . 30701 1 375 . 1 . 1 48 48 U C5 C 13 104.2601166 0.03 . 1 . . . . A 48 U C5 . 30701 1 376 . 1 . 1 48 48 U C6 C 13 143.0826111 0.03 . 1 . . . . A 48 U C6 . 30701 1 377 . 1 . 1 49 49 U H1' H 1 5.945699215 0.03 . 1 . . . . A 49 U H1' . 30701 1 378 . 1 . 1 49 49 U H2' H 1 4.464539523 0.03 . 1 . . . . A 49 U H2' . 30701 1 379 . 1 . 1 49 49 U H3' H 1 4.71218967 0.03 . 1 . . . . A 49 U H3' . 30701 1 380 . 1 . 1 49 49 U H4' H 1 4.498329635 0.03 . 1 . . . . A 49 U H4' . 30701 1 381 . 1 . 1 49 49 U H5 H 1 5.799278736 0.03 . 1 . . . . A 49 U H5 . 30701 1 382 . 1 . 1 49 49 U H6 H 1 7.844599247 0.03 . 1 . . . . A 49 U H6 . 30701 1 383 . 1 . 1 49 49 U C1' C 13 90.90184784 0.03 . 1 . . . . A 49 U C1' . 30701 1 384 . 1 . 1 49 49 U C5 C 13 105.0855865 0.03 . 1 . . . . A 49 U C5 . 30701 1 385 . 1 . 1 49 49 U C6 C 13 143.4463959 0.03 . 1 . . . . A 49 U C6 . 30701 1 386 . 1 . 1 50 50 G H1 H 1 10.40550995 0.03 . 1 . . . . A 50 G H1 . 30701 1 387 . 1 . 1 50 50 G H1' H 1 5.784989357 0.03 . 1 . . . . A 50 G H1' . 30701 1 388 . 1 . 1 50 50 G H2' H 1 4.748879428 0.03 . 1 . . . . A 50 G H2' . 30701 1 389 . 1 . 1 50 50 G H8 H 1 7.973238945 0.03 . 1 . . . . A 50 G H8 . 30701 1 390 . 1 . 1 50 50 G C1' C 13 93.17481995 0.03 . 1 . . . . A 50 G C1' . 30701 1 391 . 1 . 1 50 50 G C8 C 13 138.382431 0.03 . 1 . . . . A 50 G C8 . 30701 1 392 . 1 . 1 50 50 G N1 N 15 142.5715942 0.03 . 1 . . . . A 50 G N1 . 30701 1 393 . 1 . 1 51 51 G H1 H 1 12.61195946 0.03 . 1 . . . . A 51 G H1 . 30701 1 394 . 1 . 1 51 51 G H1' H 1 5.694419384 0.03 . 1 . . . . A 51 G H1' . 30701 1 395 . 1 . 1 51 51 G H2' H 1 4.680899615 0.03 . 1 . . . . A 51 G H2' . 30701 1 396 . 1 . 1 51 51 G H8 H 1 7.238918781 0.03 . 1 . . . . A 51 G H8 . 30701 1 397 . 1 . 1 51 51 G C1' C 13 92.75845337 0.03 . 1 . . . . A 51 G C1' . 30701 1 398 . 1 . 1 51 51 G C8 C 13 136.3379211 0.03 . 1 . . . . A 51 G C8 . 30701 1 399 . 1 . 1 51 51 G N1 N 15 147.2618408 0.03 . 1 . . . . A 51 G N1 . 30701 1 400 . 1 . 1 52 52 G H1 H 1 12.67998981 0.03 . 1 . . . . A 52 G H1 . 30701 1 401 . 1 . 1 52 52 G H1' H 1 5.800709248 0.03 . 1 . . . . A 52 G H1' . 30701 1 402 . 1 . 1 52 52 G H8 H 1 7.224719048 0.03 . 1 . . . . A 52 G H8 . 30701 1 403 . 1 . 1 52 52 G C1' C 13 92.76960754 0.03 . 1 . . . . A 52 G C1' . 30701 1 404 . 1 . 1 52 52 G C8 C 13 136.3137207 0.03 . 1 . . . . A 52 G C8 . 30701 1 405 . 1 . 1 52 52 G N1 N 15 148.1877594 0.03 . 1 . . . . A 52 G N1 . 30701 1 406 . 1 . 1 53 53 G H1 H 1 11.31655979 0.03 . 1 . . . . A 53 G H1 . 30701 1 407 . 1 . 1 53 53 G H1' H 1 5.788639545 0.03 . 1 . . . . A 53 G H1' . 30701 1 408 . 1 . 1 53 53 G H2' H 1 4.597179408 0.03 . 1 . . . . A 53 G H2' . 30701 1 409 . 1 . 1 53 53 G H8 H 1 7.237809181 0.03 . 1 . . . . A 53 G H8 . 30701 1 410 . 1 . 1 53 53 G C1' C 13 93.39039612 0.03 . 1 . . . . A 53 G C1' . 30701 1 411 . 1 . 1 53 53 G C8 C 13 136.767807 0.03 . 1 . . . . A 53 G C8 . 30701 1 412 . 1 . 1 53 53 G N1 N 15 145.2239075 0.03 . 1 . . . . A 53 G N1 . 30701 1 413 . 1 . 1 54 54 C H1' H 1 5.492229462 0.03 . 1 . . . . A 54 C H1' . 30701 1 414 . 1 . 1 54 54 C H2' H 1 4.478809352 0.03 . 1 . . . . A 54 C H2' . 30701 1 415 . 1 . 1 54 54 C H5 H 1 5.358668804 0.03 . 1 . . . . A 54 C H5 . 30701 1 416 . 1 . 1 54 54 C H6 H 1 7.668289185 0.03 . 1 . . . . A 54 C H6 . 30701 1 417 . 1 . 1 54 54 C C1' C 13 93.72730255 0.03 . 1 . . . . A 54 C C1' . 30701 1 418 . 1 . 1 54 54 C C5 C 13 97.64150238 0.03 . 1 . . . . A 54 C C5 . 30701 1 419 . 1 . 1 54 54 C C6 C 13 140.2753296 0.03 . 1 . . . . A 54 C C6 . 30701 1 420 . 1 . 1 55 55 A H1' H 1 5.945299625 0.03 . 1 . . . . A 55 A H1' . 30701 1 421 . 1 . 1 55 55 A H2 H 1 7.282218933 0.03 . 1 . . . . A 55 A H2 . 30701 1 422 . 1 . 1 55 55 A H2' H 1 4.459089279 0.03 . 1 . . . . A 55 A H2' . 30701 1 423 . 1 . 1 55 55 A H8 H 1 8.05933857 0.03 . 1 . . . . A 55 A H8 . 30701 1 424 . 1 . 1 55 55 A C1' C 13 93.12581635 0.03 . 1 . . . . A 55 A C1' . 30701 1 425 . 1 . 1 55 55 A C2 C 13 153.1143494 0.03 . 1 . . . . A 55 A C2 . 30701 1 426 . 1 . 1 55 55 A C8 C 13 139.6008301 0.03 . 1 . . . . A 55 A C8 . 30701 1 427 . 1 . 1 56 56 U H1' H 1 5.444759369 0.03 . 1 . . . . A 56 U H1' . 30701 1 428 . 1 . 1 56 56 U H2' H 1 4.488619323 0.03 . 1 . . . . A 56 U H2' . 30701 1 429 . 1 . 1 56 56 U H3 H 1 13.3785696 0.03 . 1 . . . . A 56 U H3 . 30701 1 430 . 1 . 1 56 56 U H5 H 1 5.039558887 0.03 . 1 . . . . A 56 U H5 . 30701 1 431 . 1 . 1 56 56 U H6 H 1 7.652449131 0.03 . 1 . . . . A 56 U H6 . 30701 1 432 . 1 . 1 56 56 U C1' C 13 92.91996765 0.03 . 1 . . . . A 56 U C1' . 30701 1 433 . 1 . 1 56 56 U C5 C 13 102.9844971 0.03 . 1 . . . . A 56 U C5 . 30701 1 434 . 1 . 1 56 56 U C6 C 13 140.8735809 0.03 . 1 . . . . A 56 U C6 . 30701 1 435 . 1 . 1 56 56 U N3 N 15 161.7825012 0.03 . 1 . . . . A 56 U N3 . 30701 1 436 . 1 . 1 57 57 G H1 H 1 11.88780975 0.03 . 1 . . . . A 57 G H1 . 30701 1 437 . 1 . 1 57 57 G H1' H 1 5.842109203 0.03 . 1 . . . . A 57 G H1' . 30701 1 438 . 1 . 1 57 57 G H2' H 1 4.522179599 0.03 . 1 . . . . A 57 G H2' . 30701 1 439 . 1 . 1 57 57 G H8 H 1 7.657118797 0.03 . 1 . . . . A 57 G H8 . 30701 1 440 . 1 . 1 57 57 G C1' C 13 91.77470398 0.03 . 1 . . . . A 57 G C1' . 30701 1 441 . 1 . 1 57 57 G C8 C 13 136.291626 0.03 . 1 . . . . A 57 G C8 . 30701 1 442 . 1 . 1 57 57 G N1 N 15 146.9968262 0.03 . 1 . . . . A 57 G N1 . 30701 1 443 . 1 . 1 58 58 G H1 H 1 10.44798946 0.03 . 1 . . . . A 58 G H1 . 30701 1 444 . 1 . 1 58 58 G H1' H 1 5.639559269 0.03 . 1 . . . . A 58 G H1' . 30701 1 445 . 1 . 1 58 58 G H2' H 1 4.741929526 0.03 . 1 . . . . A 58 G H2' . 30701 1 446 . 1 . 1 58 58 G H8 H 1 7.113069057 0.03 . 1 . . . . A 58 G H8 . 30701 1 447 . 1 . 1 58 58 G C1' C 13 93.54866791 0.03 . 1 . . . . A 58 G C1' . 30701 1 448 . 1 . 1 58 58 G C8 C 13 136.9862061 0.03 . 1 . . . . A 58 G C8 . 30701 1 449 . 1 . 1 58 58 G N1 N 15 142.6818237 0.03 . 1 . . . . A 58 G N1 . 30701 1 450 . 1 . 1 59 59 A H1' H 1 5.945299625 0.03 . 1 . . . . A 59 A H1' . 30701 1 451 . 1 . 1 59 59 A H2 H 1 7.914608955 0.03 . 1 . . . . A 59 A H2 . 30701 1 452 . 1 . 1 59 59 A H2' H 1 4.546609402 0.03 . 1 . . . . A 59 A H2' . 30701 1 453 . 1 . 1 59 59 A H8 H 1 7.799589157 0.03 . 1 . . . . A 59 A H8 . 30701 1 454 . 1 . 1 59 59 A C1' C 13 93.12581635 0.03 . 1 . . . . A 59 A C1' . 30701 1 455 . 1 . 1 59 59 A C2 C 13 154.2076721 0.03 . 1 . . . . A 59 A C2 . 30701 1 456 . 1 . 1 59 59 A C8 C 13 139.2006683 0.03 . 1 . . . . A 59 A C8 . 30701 1 457 . 1 . 1 60 60 C H1' H 1 5.411659241 0.03 . 1 . . . . A 60 C H1' . 30701 1 458 . 1 . 1 60 60 C H2' H 1 4.097239489 0.03 . 1 . . . . A 60 C H2' . 30701 1 459 . 1 . 1 60 60 C H3' H 1 4.485629554 0.03 . 1 . . . . A 60 C H3' . 30701 1 460 . 1 . 1 60 60 C H4' H 1 4.367629523 0.03 . 1 . . . . A 60 C H4' . 30701 1 461 . 1 . 1 60 60 C H5 H 1 5.174499035 0.03 . 1 . . . . A 60 C H5 . 30701 1 462 . 1 . 1 60 60 C H6 H 1 7.451068878 0.03 . 1 . . . . A 60 C H6 . 30701 1 463 . 1 . 1 60 60 C C1' C 13 94.36143494 0.03 . 1 . . . . A 60 C C1' . 30701 1 464 . 1 . 1 60 60 C C5 C 13 96.96022797 0.03 . 1 . . . . A 60 C C5 . 30701 1 465 . 1 . 1 60 60 C C6 C 13 140.7996674 0.03 . 1 . . . . A 60 C C6 . 30701 1 466 . 1 . 1 61 61 C H1' H 1 6.119409561 0.03 . 1 . . . . A 61 C H1' . 30701 1 467 . 1 . 1 61 61 C H2' H 1 4.636249537 0.03 . 1 . . . . A 61 C H2' . 30701 1 468 . 1 . 1 61 61 C H3' H 1 4.943299289 0.03 . 1 . . . . A 61 C H3' . 30701 1 469 . 1 . 1 61 61 C H4' H 1 4.413739676 0.03 . 1 . . . . A 61 C H4' . 30701 1 470 . 1 . 1 61 61 C H5 H 1 5.471358776 0.03 . 1 . . . . A 61 C H5 . 30701 1 471 . 1 . 1 61 61 C H6 H 1 7.46586895 0.03 . 1 . . . . A 61 C H6 . 30701 1 472 . 1 . 1 61 61 C C1' C 13 91.96460724 0.03 . 1 . . . . A 61 C C1' . 30701 1 473 . 1 . 1 61 61 C C5 C 13 99.04429626 0.03 . 1 . . . . A 61 C C5 . 30701 1 474 . 1 . 1 61 61 C C6 C 13 141.7926483 0.03 . 1 . . . . A 61 C C6 . 30701 1 stop_ save_