data_5773 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5773 _Entry.Title ; Solution structure of HIV-1 Stem Loop SL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-15 _Entry.Accession_date 2003-03-15 _Entry.Last_release_date 2003-05-01 _Entry.Original_release_date 2003-05-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 D. Lawrence . C. . 5773 2 C. Stover . C. . 5773 3 J. Noznitsky . . . 5773 4 Z. Wu . . . 5773 5 M. Summers . F. . 5773 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5773 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 5773 '1H chemical shifts' 272 5773 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-05-01 2003-04-15 original author . 5773 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1N8X 'BMRB Entry Tracking System' 5773 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5773 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12559920 _Citation.Full_citation . _Citation.Title 'Structure of the Intact Stem and Bulge of HIV-1 Psi-RNA Stem Loop SL1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 326 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 529 _Citation.Page_last 542 _Citation.Year 2003 _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.Entry_ID _Citation_author.Citation_ID 1 D. Lawrence . C. . 5773 1 2 C. Stover . C. . 5773 1 3 J. Noznitsky . . . 5773 1 4 Z. Wu . . . 5773 1 5 M. Summers . F. . 5773 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BULGE 5773 1 'G-A MISMATCH' 5773 1 HIV 5773 1 'RNA STEM LOOP' 5773 1 SL1 5773 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HIV-1_SL1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HIV-1_SL1 _Assembly.Entry_ID 5773 _Assembly.ID 1 _Assembly.Name 'HIV-1 STEM LOOP SL1 MONOMERIC RNA' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5773 1 stop_ 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 'HIV-1 STEM LOOP SL1 MONOMERIC RNA' 1 $SL1 . . . native . . . . . 5773 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1N8X . . . . . . 5773 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HIV-1 SL1' abbreviation 5773 1 'HIV-1 STEM LOOP SL1 MONOMERIC RNA' system 5773 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'dimerization of HIV-1 genome' 5773 1 'part of Psi encapsidation signal' 5773 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SL1 _Entity.Sf_category entity _Entity.Sf_framecode SL1 _Entity.Entry_ID 5773 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HIV-1 Stem loop SL1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGACUCGGCUUGCUGGAGAC GGCAAGAGGCGAGUCC ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12363 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; G-A mismatched base pair. DIS terminal loop replaced with GAGA tetraloop. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HIV-1 Stem loop SL1' common 5773 1 SL1 abbreviation 5773 1 SL1m variant 5773 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 5773 1 2 . G . 5773 1 3 . A . 5773 1 4 . C . 5773 1 5 . U . 5773 1 6 . C . 5773 1 7 . G . 5773 1 8 . G . 5773 1 9 . C . 5773 1 10 . U . 5773 1 11 . U . 5773 1 12 . G . 5773 1 13 . C . 5773 1 14 . U . 5773 1 15 . G . 5773 1 16 . G . 5773 1 17 . A . 5773 1 18 . G . 5773 1 19 . A . 5773 1 20 . C . 5773 1 21 . G . 5773 1 22 . G . 5773 1 23 . C . 5773 1 24 . A . 5773 1 25 . A . 5773 1 26 . G . 5773 1 27 . A . 5773 1 28 . G . 5773 1 29 . G . 5773 1 30 . C . 5773 1 31 . G . 5773 1 32 . A . 5773 1 33 . G . 5773 1 34 . U . 5773 1 35 . C . 5773 1 36 . C . 5773 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 5773 1 . G 2 2 5773 1 . A 3 3 5773 1 . C 4 4 5773 1 . U 5 5 5773 1 . C 6 6 5773 1 . G 7 7 5773 1 . G 8 8 5773 1 . C 9 9 5773 1 . U 10 10 5773 1 . U 11 11 5773 1 . G 12 12 5773 1 . C 13 13 5773 1 . U 14 14 5773 1 . G 15 15 5773 1 . G 16 16 5773 1 . A 17 17 5773 1 . G 18 18 5773 1 . A 19 19 5773 1 . C 20 20 5773 1 . G 21 21 5773 1 . G 22 22 5773 1 . C 23 23 5773 1 . A 24 24 5773 1 . A 25 25 5773 1 . G 26 26 5773 1 . A 27 27 5773 1 . G 28 28 5773 1 . G 29 29 5773 1 . C 30 30 5773 1 . G 31 31 5773 1 . A 32 32 5773 1 . G 33 33 5773 1 . U 34 34 5773 1 . C 35 35 5773 1 . C 36 36 5773 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 5773 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SL1 . 11676 organism . 'Lentivirus HIV-1' HIV-1 . . Viruses . Lentivirus HIV-1 Lai . . . . . . . . . . . . . . . . . . . . 5773 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 5773 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SL1 . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5773 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5773 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 Stem loop SL1' '[U-13C; U-15N]' . . 1 $SL1 . . 1.0 . . mM . . . . 5773 1 2 Tris-Cl . . . . . . . 10 . . mM . . . . 5773 1 3 Na-EDTA . . . . . . . 0.1 . . mM . . . . 5773 1 4 D2O . . . . . . . 100 . . % . . . . 5773 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5773 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 Stem loop SL1' '[13C, 15N]-cytidine' . . 1 $SL1 . . 1.0 . . mM . . . . 5773 2 2 Tris-Cl . . . . . . . 10 . . mM . . . . 5773 2 3 Na-EDTA . . . . . . . 0.1 . . mM . . . . 5773 2 4 D2O . . . . . . . 100 . . % . . . . 5773 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5773 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 Stem loop SL1' . . . 1 $SL1 . . 1.0 . . mM . . . . 5773 3 2 Tris-Cl . . . . . . . 10 . . mM . . . . 5773 3 3 Na-EDTA . . . . . . . 0.1 . . mM . . . . 5773 3 4 D2O . . . . . . . 100 . . % . . . . 5773 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5773 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 Stem loop SL1' '[U-13C; U-15N]' . . 1 $SL1 . . 1.0 . . mM . . . . 5773 4 2 Tris-Cl . . . . . . . 10 . . mM . . . . 5773 4 3 Na-EDTA . . . . . . . 0.1 . . mM . . . . 5773 4 4 'Pf1 phage' . . . . . . . 17 . . mg/ml . . . . 5773 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 5773 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 Stem loop SL1' . . . 1 $SL1 . . 1.0 . . mM . . . . 5773 5 2 Tris-Cl . . . . . . . 10 . . mM . . . . 5773 5 3 Na-EDTA . . . . . . . 0.1 . . mM . . . . 5773 5 4 D2O . . . . . . . 10 . . % . . . . 5773 5 5 H2O . . . . . . . 90 . . % . . . . 5773 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5773 _Sample_condition_list.ID 1 _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 pH 6.0 0.1 n/a 5773 1 pressure 1 . atm 5773 1 temperature 308 0.2 K 5773 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 5773 _Sample_condition_list.ID 2 _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 pH 8.0 0.05 n/a 5773 2 pressure 1 . atm 5773 2 temperature 308 0.2 K 5773 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5773 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5773 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5773 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details ; Delaglio, Grzesiek, Vuister, Zhu, Pfeifer,Bax (1995). NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR, 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5773 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5773 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.3 _Software.Details ; Johnson, Blevins (1994). NMRview: a computer program for the visualization and analysis for NMR data. J. Biomol. NMR, 4, 603-614. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5773 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5773 _Software.ID 4 _Software.Name DYANA _Software.Version 1.5 _Software.Details ; Guntert, Mumenthaler, Wuthrich (1997) Torsion angle dynamics for protein structures calculations with a new program, DYANA. J. Mol. Biol., 273, 283-298. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5773 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5773 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5773 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5773 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 5773 1 2 spectrometer_2 Bruker DMX . 800 . . . 5773 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 5773 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5773 1 2 '4D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5773 1 3 '3D 13C-separated ROESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5773 1 4 'IPAP H-COUPLED CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5773 1 5 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5773 1 6 '2D ROESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5773 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5773 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5773 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5773 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5773 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5773 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5773 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G C1' C 13 84.312 . . 1 . . . . . . . . 5773 1 2 . 1 1 1 1 G H1' H 1 5.881 . . 1 . . . . . . . . 5773 1 3 . 1 1 1 1 G C2' C 13 64.943 . . 1 . . . . . . . . 5773 1 4 . 1 1 1 1 G H2' H 1 4.990 . . 1 . . . . . . . . 5773 1 5 . 1 1 1 1 G C3' C 13 65.319 . . 1 . . . . . . . . 5773 1 6 . 1 1 1 1 G H3' H 1 4.800 . . 1 . . . . . . . . 5773 1 7 . 1 1 1 1 G C4' C 13 73.744 . . 1 . . . . . . . . 5773 1 8 . 1 1 1 1 G H4' H 1 4.614 . . 1 . . . . . . . . 5773 1 9 . 1 1 1 1 G C5' C 13 57.386 . . 1 . . . . . . . . 5773 1 10 . 1 1 1 1 G H5' H 1 4.434 . . 2 . . . . . . . . 5773 1 11 . 1 1 1 1 G H5'' H 1 4.339 . . 2 . . . . . . . . 5773 1 12 . 1 1 1 1 G C8 C 13 136.868 . . 1 . . . . . . . . 5773 1 13 . 1 1 1 1 G H8 H 1 8.176 . . 1 . . . . . . . . 5773 1 14 . 1 1 2 2 G C1' C 13 86.568 . . 1 . . . . . . . . 5773 1 15 . 1 1 2 2 G H1' H 1 5.952 . . 1 . . . . . . . . 5773 1 16 . 1 1 2 2 G C2' C 13 65.401 . . 1 . . . . . . . . 5773 1 17 . 1 1 2 2 G H2' H 1 4.767 . . 1 . . . . . . . . 5773 1 18 . 1 1 2 2 G C3' C 13 62.926 . . 1 . . . . . . . . 5773 1 19 . 1 1 2 2 G H3' H 1 4.689 . . 1 . . . . . . . . 5773 1 20 . 1 1 2 2 G C4' C 13 72.769 . . 1 . . . . . . . . 5773 1 21 . 1 1 2 2 G H4' H 1 4.650 . . 1 . . . . . . . . 5773 1 22 . 1 1 2 2 G C5' C 13 53.019 . . 1 . . . . . . . . 5773 1 23 . 1 1 2 2 G H5' H 1 4.521 . . 2 . . . . . . . . 5773 1 24 . 1 1 2 2 G H5'' H 1 4.414 . . 2 . . . . . . . . 5773 1 25 . 1 1 2 2 G C8 C 13 135.099 . . 1 . . . . . . . . 5773 1 26 . 1 1 2 2 G H8 H 1 7.671 . . 1 . . . . . . . . 5773 1 27 . 1 1 3 3 A C1' C 13 90.838 . . 1 . . . . . . . . 5773 1 28 . 1 1 3 3 A H1' H 1 6.081 . . 1 . . . . . . . . 5773 1 29 . 1 1 3 3 A C2' C 13 65.245 . . 1 . . . . . . . . 5773 1 30 . 1 1 3 3 A H2' H 1 4.695 . . 1 . . . . . . . . 5773 1 31 . 1 1 3 3 A C3' C 13 62.835 . . 1 . . . . . . . . 5773 1 32 . 1 1 3 3 A H3' H 1 4.680 . . 1 . . . . . . . . 5773 1 33 . 1 1 3 3 A C4' C 13 72.056 . . 1 . . . . . . . . 5773 1 34 . 1 1 3 3 A H4' H 1 4.598 . . 1 . . . . . . . . 5773 1 35 . 1 1 3 3 A C5' C 13 51.186 . . 1 . . . . . . . . 5773 1 36 . 1 1 3 3 A H5' H 1 4.652 . . 2 . . . . . . . . 5773 1 37 . 1 1 3 3 A H5'' H 1 4.251 . . 2 . . . . . . . . 5773 1 38 . 1 1 3 3 A C8 C 13 137.163 . . 1 . . . . . . . . 5773 1 39 . 1 1 3 3 A H8 H 1 7.923 . . 1 . . . . . . . . 5773 1 40 . 1 1 3 3 A C2 C 13 151.856 . . 1 . . . . . . . . 5773 1 41 . 1 1 3 3 A H2 H 1 7.875 . . 1 . . . . . . . . 5773 1 42 . 1 1 4 4 C C1' C 13 87.861 . . 1 . . . . . . . . 5773 1 43 . 1 1 4 4 C H1' H 1 5.427 . . 1 . . . . . . . . 5773 1 44 . 1 1 4 4 C C2' C 13 65.455 . . 1 . . . . . . . . 5773 1 45 . 1 1 4 4 C H2' H 1 4.336 . . 1 . . . . . . . . 5773 1 46 . 1 1 4 4 C C3' C 13 62.532 . . 1 . . . . . . . . 5773 1 47 . 1 1 4 4 C H3' H 1 4.356 . . 1 . . . . . . . . 5773 1 48 . 1 1 4 4 C C4' C 13 71.834 . . 1 . . . . . . . . 5773 1 49 . 1 1 4 4 C H4' H 1 4.493 . . 1 . . . . . . . . 5773 1 50 . 1 1 4 4 C C5' C 13 51.140 . . 1 . . . . . . . . 5773 1 51 . 1 1 4 4 C H5' H 1 4.539 . . 2 . . . . . . . . 5773 1 52 . 1 1 4 4 C H5'' H 1 4.140 . . 2 . . . . . . . . 5773 1 53 . 1 1 4 4 C C6 C 13 138.429 . . 1 . . . . . . . . 5773 1 54 . 1 1 4 4 C H6 H 1 7.419 . . 1 . . . . . . . . 5773 1 55 . 1 1 4 4 C C5 C 13 91.292 . . 1 . . . . . . . . 5773 1 56 . 1 1 4 4 C H5 H 1 5.307 . . 1 . . . . . . . . 5773 1 57 . 1 1 5 5 U C1' C 13 87.748 . . 1 . . . . . . . . 5773 1 58 . 1 1 5 5 U H1' H 1 5.619 . . 1 . . . . . . . . 5773 1 59 . 1 1 5 5 U C2' C 13 65.284 . . 1 . . . . . . . . 5773 1 60 . 1 1 5 5 U H2' H 1 4.566 . . 1 . . . . . . . . 5773 1 61 . 1 1 5 5 U C3' C 13 62.294 . . 1 . . . . . . . . 5773 1 62 . 1 1 5 5 U H3' H 1 4.588 . . 1 . . . . . . . . 5773 1 63 . 1 1 5 5 U C4' C 13 72.067 . . 1 . . . . . . . . 5773 1 64 . 1 1 5 5 U H4' H 1 4.502 . . 1 . . . . . . . . 5773 1 65 . 1 1 5 5 U C5' C 13 50.734 . . 1 . . . . . . . . 5773 1 66 . 1 1 5 5 U H5' H 1 4.599 . . 2 . . . . . . . . 5773 1 67 . 1 1 5 5 U H5'' H 1 4.172 . . 2 . . . . . . . . 5773 1 68 . 1 1 5 5 U C6 C 13 139.954 . . 1 . . . . . . . . 5773 1 69 . 1 1 5 5 U H6 H 1 7.902 . . 1 . . . . . . . . 5773 1 70 . 1 1 5 5 U C5 C 13 97.224 . . 1 . . . . . . . . 5773 1 71 . 1 1 5 5 U H5 H 1 5.427 . . 1 . . . . . . . . 5773 1 72 . 1 1 6 6 C C1' C 13 87.564 . . 1 . . . . . . . . 5773 1 73 . 1 1 6 6 C H1' H 1 5.612 . . 1 . . . . . . . . 5773 1 74 . 1 1 6 6 C C2' C 13 65.416 . . 1 . . . . . . . . 5773 1 75 . 1 1 6 6 C H2' H 1 4.506 . . 1 . . . . . . . . 5773 1 76 . 1 1 6 6 C C3' C 13 62.112 . . 1 . . . . . . . . 5773 1 77 . 1 1 6 6 C H3' H 1 4.586 . . 1 . . . . . . . . 5773 1 78 . 1 1 6 6 C C4' C 13 72.107 . . 1 . . . . . . . . 5773 1 79 . 1 1 6 6 C H4' H 1 4.503 . . 1 . . . . . . . . 5773 1 80 . 1 1 6 6 C C5' C 13 50.816 . . 1 . . . . . . . . 5773 1 81 . 1 1 6 6 C H5' H 1 4.600 . . 2 . . . . . . . . 5773 1 82 . 1 1 6 6 C H5'' H 1 4.195 . . 2 . . . . . . . . 5773 1 83 . 1 1 6 6 C C6 C 13 139.136 . . 1 . . . . . . . . 5773 1 84 . 1 1 6 6 C H6 H 1 7.869 . . 1 . . . . . . . . 5773 1 85 . 1 1 6 6 C C5 C 13 91.720 . . 1 . . . . . . . . 5773 1 86 . 1 1 6 6 C H5 H 1 5.699 . . 1 . . . . . . . . 5773 1 87 . 1 1 7 7 G C1' C 13 86.767 . . 1 . . . . . . . . 5773 1 88 . 1 1 7 7 G H1' H 1 5.711 . . 1 . . . . . . . . 5773 1 89 . 1 1 7 7 G C2' C 13 65.269 . . 1 . . . . . . . . 5773 1 90 . 1 1 7 7 G H2' H 1 4.661 . . 1 . . . . . . . . 5773 1 91 . 1 1 7 7 G C3' C 13 63.259 . . 1 . . . . . . . . 5773 1 92 . 1 1 7 7 G H3' H 1 4.676 . . 1 . . . . . . . . 5773 1 93 . 1 1 7 7 G C4' C 13 72.495 . . 1 . . . . . . . . 5773 1 94 . 1 1 7 7 G H4' H 1 4.480 . . 1 . . . . . . . . 5773 1 95 . 1 1 7 7 G C5' C 13 51.392 . . 1 . . . . . . . . 5773 1 96 . 1 1 7 7 G H5' H 1 4.557 . . 2 . . . . . . . . 5773 1 97 . 1 1 7 7 G H5'' H 1 4.197 . . 2 . . . . . . . . 5773 1 98 . 1 1 7 7 G C8 C 13 134.426 . . 1 . . . . . . . . 5773 1 99 . 1 1 7 7 G H8 H 1 7.617 . . 1 . . . . . . . . 5773 1 100 . 1 1 8 8 G C1' C 13 85.984 . . 1 . . . . . . . . 5773 1 101 . 1 1 8 8 G H1' H 1 5.827 . . 1 . . . . . . . . 5773 1 102 . 1 1 8 8 G C2' C 13 65.271 . . 1 . . . . . . . . 5773 1 103 . 1 1 8 8 G H2' H 1 4.716 . . 1 . . . . . . . . 5773 1 104 . 1 1 8 8 G C3' C 13 65.273 . . 1 . . . . . . . . 5773 1 105 . 1 1 8 8 G H3' H 1 4.672 . . 1 . . . . . . . . 5773 1 106 . 1 1 8 8 G C4' C 13 73.886 . . 1 . . . . . . . . 5773 1 107 . 1 1 8 8 G H4' H 1 4.582 . . 1 . . . . . . . . 5773 1 108 . 1 1 8 8 G C5' C 13 52.325 . . 1 . . . . . . . . 5773 1 109 . 1 1 8 8 G H5' H 1 4.473 . . 2 . . . . . . . . 5773 1 110 . 1 1 8 8 G H5'' H 1 4.316 . . 2 . . . . . . . . 5773 1 111 . 1 1 8 8 G C8 C 13 136.403 . . 1 . . . . . . . . 5773 1 112 . 1 1 8 8 G H8 H 1 7.607 . . 1 . . . . . . . . 5773 1 113 . 1 1 9 9 C C1' C 13 87.819 . . 1 . . . . . . . . 5773 1 114 . 1 1 9 9 C H1' H 1 5.601 . . 1 . . . . . . . . 5773 1 115 . 1 1 9 9 C C2' C 13 65.212 . . 1 . . . . . . . . 5773 1 116 . 1 1 9 9 C H2' H 1 4.486 . . 1 . . . . . . . . 5773 1 117 . 1 1 9 9 C C3' C 13 62.311 . . 1 . . . . . . . . 5773 1 118 . 1 1 9 9 C H3' H 1 4.552 . . 1 . . . . . . . . 5773 1 119 . 1 1 9 9 C C4' C 13 72.090 . . 1 . . . . . . . . 5773 1 120 . 1 1 9 9 C H4' H 1 4.499 . . 1 . . . . . . . . 5773 1 121 . 1 1 9 9 C C5' C 13 51.072 . . 1 . . . . . . . . 5773 1 122 . 1 1 9 9 C H5' H 1 4.554 . . 2 . . . . . . . . 5773 1 123 . 1 1 9 9 C H5'' H 1 4.217 . . 2 . . . . . . . . 5773 1 124 . 1 1 9 9 C C6 C 13 139.716 . . 1 . . . . . . . . 5773 1 125 . 1 1 9 9 C H6 H 1 7.785 . . 1 . . . . . . . . 5773 1 126 . 1 1 9 9 C C5 C 13 91.742 . . 1 . . . . . . . . 5773 1 127 . 1 1 9 9 C H5 H 1 5.631 . . 1 . . . . . . . . 5773 1 128 . 1 1 10 10 U C1' C 13 87.951 . . 1 . . . . . . . . 5773 1 129 . 1 1 10 10 U H1' H 1 5.597 . . 1 . . . . . . . . 5773 1 130 . 1 1 10 10 U C2' C 13 65.344 . . 1 . . . . . . . . 5773 1 131 . 1 1 10 10 U H2' H 1 4.514 . . 1 . . . . . . . . 5773 1 132 . 1 1 10 10 U C3' C 13 62.605 . . 1 . . . . . . . . 5773 1 133 . 1 1 10 10 U H3' H 1 4.597 . . 1 . . . . . . . . 5773 1 134 . 1 1 10 10 U C4' C 13 72.147 . . 1 . . . . . . . . 5773 1 135 . 1 1 10 10 U H4' H 1 4.503 . . 1 . . . . . . . . 5773 1 136 . 1 1 10 10 U C5' C 13 51.107 . . 1 . . . . . . . . 5773 1 137 . 1 1 10 10 U H5' H 1 4.573 . . 2 . . . . . . . . 5773 1 138 . 1 1 10 10 U H5'' H 1 4.213 . . 2 . . . . . . . . 5773 1 139 . 1 1 10 10 U C6 C 13 140.188 . . 1 . . . . . . . . 5773 1 140 . 1 1 10 10 U H6 H 1 7.923 . . 1 . . . . . . . . 5773 1 141 . 1 1 10 10 U C5 C 13 97.353 . . 1 . . . . . . . . 5773 1 142 . 1 1 10 10 U H5 H 1 5.525 . . 1 . . . . . . . . 5773 1 143 . 1 1 11 11 U C1' C 13 86.835 . . 1 . . . . . . . . 5773 1 144 . 1 1 11 11 U H1' H 1 5.709 . . 1 . . . . . . . . 5773 1 145 . 1 1 11 11 U C2' C 13 65.295 . . 1 . . . . . . . . 5773 1 146 . 1 1 11 11 U H2' H 1 4.581 . . 1 . . . . . . . . 5773 1 147 . 1 1 11 11 U C3' C 13 62.934 . . 1 . . . . . . . . 5773 1 148 . 1 1 11 11 U H3' H 1 4.671 . . 1 . . . . . . . . 5773 1 149 . 1 1 11 11 U C4' C 13 72.312 . . 1 . . . . . . . . 5773 1 150 . 1 1 11 11 U H4' H 1 4.519 . . 1 . . . . . . . . 5773 1 151 . 1 1 11 11 U C5' C 13 51.050 . . 1 . . . . . . . . 5773 1 152 . 1 1 11 11 U H5' H 1 4.573 . . 2 . . . . . . . . 5773 1 153 . 1 1 11 11 U H5'' H 1 4.213 . . 2 . . . . . . . . 5773 1 154 . 1 1 11 11 U C6 C 13 140.055 . . 1 . . . . . . . . 5773 1 155 . 1 1 11 11 U H6 H 1 7.958 . . 1 . . . . . . . . 5773 1 156 . 1 1 11 11 U C5 C 13 97.885 . . 1 . . . . . . . . 5773 1 157 . 1 1 11 11 U H5 H 1 5.681 . . 1 . . . . . . . . 5773 1 158 . 1 1 12 12 G C1' C 13 86.497 . . 1 . . . . . . . . 5773 1 159 . 1 1 12 12 G H1' H 1 5.801 . . 1 . . . . . . . . 5773 1 160 . 1 1 12 12 G C2' C 13 65.130 . . 1 . . . . . . . . 5773 1 161 . 1 1 12 12 G H2' H 1 4.570 . . 1 . . . . . . . . 5773 1 162 . 1 1 12 12 G C3' C 13 63.164 . . 1 . . . . . . . . 5773 1 163 . 1 1 12 12 G H3' H 1 4.598 . . 1 . . . . . . . . 5773 1 164 . 1 1 12 12 G C4' C 13 72.079 . . 1 . . . . . . . . 5773 1 165 . 1 1 12 12 G H4' H 1 4.546 . . 1 . . . . . . . . 5773 1 166 . 1 1 12 12 G C5' C 13 51.705 . . 1 . . . . . . . . 5773 1 167 . 1 1 12 12 G H5' H 1 4.554 . . 2 . . . . . . . . 5773 1 168 . 1 1 12 12 G H5'' H 1 4.227 . . 2 . . . . . . . . 5773 1 169 . 1 1 12 12 G C8 C 13 134.610 . . 1 . . . . . . . . 5773 1 170 . 1 1 12 12 G H8 H 1 7.831 . . 1 . . . . . . . . 5773 1 171 . 1 1 13 13 C C1' C 13 87.726 . . 1 . . . . . . . . 5773 1 172 . 1 1 13 13 C H1' H 1 5.524 . . 1 . . . . . . . . 5773 1 173 . 1 1 13 13 C C2' C 13 65.065 . . 1 . . . . . . . . 5773 1 174 . 1 1 13 13 C H2' H 1 4.610 . . 1 . . . . . . . . 5773 1 175 . 1 1 13 13 C C3' C 13 61.975 . . 1 . . . . . . . . 5773 1 176 . 1 1 13 13 C H3' H 1 4.347 . . 1 . . . . . . . . 5773 1 177 . 1 1 13 13 C C4' C 13 71.925 . . 1 . . . . . . . . 5773 1 178 . 1 1 13 13 C H4' H 1 4.474 . . 1 . . . . . . . . 5773 1 179 . 1 1 13 13 C C5' C 13 50.442 . . 1 . . . . . . . . 5773 1 180 . 1 1 13 13 C H5' H 1 4.575 . . 2 . . . . . . . . 5773 1 181 . 1 1 13 13 C H5'' H 1 4.139 . . 2 . . . . . . . . 5773 1 182 . 1 1 13 13 C C6 C 13 138.648 . . 1 . . . . . . . . 5773 1 183 . 1 1 13 13 C H6 H 1 7.563 . . 1 . . . . . . . . 5773 1 184 . 1 1 13 13 C C5 C 13 90.927 . . 1 . . . . . . . . 5773 1 185 . 1 1 13 13 C H5 H 1 5.209 . . 1 . . . . . . . . 5773 1 186 . 1 1 14 14 U C1' C 13 87.891 . . 1 . . . . . . . . 5773 1 187 . 1 1 14 14 U H1' H 1 5.734 . . 1 . . . . . . . . 5773 1 188 . 1 1 14 14 U C2' C 13 65.662 . . 1 . . . . . . . . 5773 1 189 . 1 1 14 14 U H2' H 1 4.338 . . 1 . . . . . . . . 5773 1 190 . 1 1 14 14 U C3' C 13 63.131 . . 1 . . . . . . . . 5773 1 191 . 1 1 14 14 U H3' H 1 4.583 . . 1 . . . . . . . . 5773 1 192 . 1 1 14 14 U C4' C 13 72.278 . . 1 . . . . . . . . 5773 1 193 . 1 1 14 14 U H4' H 1 4.464 . . 1 . . . . . . . . 5773 1 194 . 1 1 14 14 U C5' C 13 50.507 . . 1 . . . . . . . . 5773 1 195 . 1 1 14 14 U H5' H 1 4.513 . . 2 . . . . . . . . 5773 1 196 . 1 1 14 14 U H5'' H 1 4.136 . . 2 . . . . . . . . 5773 1 197 . 1 1 14 14 U C6 C 13 138.800 . . 1 . . . . . . . . 5773 1 198 . 1 1 14 14 U H6 H 1 7.766 . . 1 . . . . . . . . 5773 1 199 . 1 1 14 14 U C5 C 13 98.886 . . 1 . . . . . . . . 5773 1 200 . 1 1 14 14 U H5 H 1 5.717 . . 1 . . . . . . . . 5773 1 201 . 1 1 15 15 G C1' C 13 86.363 . . 1 . . . . . . . . 5773 1 202 . 1 1 15 15 G H1' H 1 5.782 . . 1 . . . . . . . . 5773 1 203 . 1 1 15 15 G C2' C 13 65.741 . . 1 . . . . . . . . 5773 1 204 . 1 1 15 15 G H2' H 1 4.677 . . 1 . . . . . . . . 5773 1 205 . 1 1 15 15 G C3' C 13 62.824 . . 1 . . . . . . . . 5773 1 206 . 1 1 15 15 G H3' H 1 4.674 . . 1 . . . . . . . . 5773 1 207 . 1 1 15 15 G C4' C 13 72.552 . . 1 . . . . . . . . 5773 1 208 . 1 1 15 15 G H4' H 1 4.486 . . 1 . . . . . . . . 5773 1 209 . 1 1 15 15 G C5' C 13 51.677 . . 1 . . . . . . . . 5773 1 210 . 1 1 15 15 G H5' H 1 4.559 . . 2 . . . . . . . . 5773 1 211 . 1 1 15 15 G H5'' H 1 4.209 . . 2 . . . . . . . . 5773 1 212 . 1 1 15 15 G C8 C 13 134.878 . . 1 . . . . . . . . 5773 1 213 . 1 1 15 15 G H8 H 1 7.828 . . 1 . . . . . . . . 5773 1 214 . 1 1 16 16 G C1' C 13 87.236 . . 1 . . . . . . . . 5773 1 215 . 1 1 16 16 G H1' H 1 5.715 . . 1 . . . . . . . . 5773 1 216 . 1 1 16 16 G C2' C 13 65.344 . . 1 . . . . . . . . 5773 1 217 . 1 1 16 16 G H2' H 1 4.456 . . 1 . . . . . . . . 5773 1 218 . 1 1 16 16 G C3' C 13 63.071 . . 1 . . . . . . . . 5773 1 219 . 1 1 16 16 G H3' H 1 4.667 . . 1 . . . . . . . . 5773 1 220 . 1 1 16 16 G C4' C 13 72.655 . . 1 . . . . . . . . 5773 1 221 . 1 1 16 16 G H4' H 1 4.438 . . 1 . . . . . . . . 5773 1 222 . 1 1 16 16 G C5' C 13 51.193 . . 1 . . . . . . . . 5773 1 223 . 1 1 16 16 G H5' H 1 4.490 . . 2 . . . . . . . . 5773 1 224 . 1 1 16 16 G H5'' H 1 4.175 . . 2 . . . . . . . . 5773 1 225 . 1 1 16 16 G C8 C 13 134.381 . . 1 . . . . . . . . 5773 1 226 . 1 1 16 16 G H8 H 1 7.369 . . 1 . . . . . . . . 5773 1 227 . 1 1 17 17 A C1' C 13 85.515 . . 1 . . . . . . . . 5773 1 228 . 1 1 17 17 A H1' H 1 5.830 . . 1 . . . . . . . . 5773 1 229 . 1 1 17 17 A C2' C 13 65.987 . . 1 . . . . . . . . 5773 1 230 . 1 1 17 17 A H2' H 1 4.749 . . 1 . . . . . . . . 5773 1 231 . 1 1 17 17 A C3' C 13 64.205 . . 1 . . . . . . . . 5773 1 232 . 1 1 17 17 A H3' H 1 4.518 . . 1 . . . . . . . . 5773 1 233 . 1 1 17 17 A C4' C 13 73.698 . . 1 . . . . . . . . 5773 1 234 . 1 1 17 17 A H4' H 1 4.296 . . 1 . . . . . . . . 5773 1 235 . 1 1 17 17 A C5' C 13 51.143 . . 1 . . . . . . . . 5773 1 236 . 1 1 17 17 A H5' H 1 4.281 . . 2 . . . . . . . . 5773 1 237 . 1 1 17 17 A H5'' H 1 3.976 . . 2 . . . . . . . . 5773 1 238 . 1 1 17 17 A C8 C 13 139.772 . . 1 . . . . . . . . 5773 1 239 . 1 1 17 17 A H8 H 1 8.285 . . 1 . . . . . . . . 5773 1 240 . 1 1 17 17 A C2 C 13 152.480 . . 1 . . . . . . . . 5773 1 241 . 1 1 17 17 A H2 H 1 8.021 . . 1 . . . . . . . . 5773 1 242 . 1 1 18 18 G C1' C 13 85.314 . . 1 . . . . . . . . 5773 1 243 . 1 1 18 18 G H1' H 1 5.266 . . 1 . . . . . . . . 5773 1 244 . 1 1 18 18 G C2' C 13 65.514 . . 1 . . . . . . . . 5773 1 245 . 1 1 18 18 G H2' H 1 4.442 . . 1 . . . . . . . . 5773 1 246 . 1 1 18 18 G C3' C 13 64.599 . . 1 . . . . . . . . 5773 1 247 . 1 1 18 18 G H3' H 1 4.667 . . 1 . . . . . . . . 5773 1 248 . 1 1 18 18 G C4' C 13 73.516 . . 1 . . . . . . . . 5773 1 249 . 1 1 18 18 G H4' H 1 4.363 . . 1 . . . . . . . . 5773 1 250 . 1 1 18 18 G C5' C 13 51.883 . . 1 . . . . . . . . 5773 1 251 . 1 1 18 18 G H5' H 1 4.170 . . 2 . . . . . . . . 5773 1 252 . 1 1 18 18 G H5'' H 1 4.021 . . 2 . . . . . . . . 5773 1 253 . 1 1 18 18 G C8 C 13 135.686 . . 1 . . . . . . . . 5773 1 254 . 1 1 18 18 G H8 H 1 7.686 . . 1 . . . . . . . . 5773 1 255 . 1 1 19 19 A C1' C 13 89.233 . . 1 . . . . . . . . 5773 1 256 . 1 1 19 19 A H1' H 1 6.117 . . 1 . . . . . . . . 5773 1 257 . 1 1 19 19 A C2' C 13 66.532 . . 1 . . . . . . . . 5773 1 258 . 1 1 19 19 A H2' H 1 4.681 . . 1 . . . . . . . . 5773 1 259 . 1 1 19 19 A C3' C 13 63.982 . . 1 . . . . . . . . 5773 1 260 . 1 1 19 19 A H3' H 1 4.936 . . 1 . . . . . . . . 5773 1 261 . 1 1 19 19 A C4' C 13 73.031 . . 1 . . . . . . . . 5773 1 262 . 1 1 19 19 A H4' H 1 4.545 . . 1 . . . . . . . . 5773 1 263 . 1 1 19 19 A C5' C 13 52.076 . . 1 . . . . . . . . 5773 1 264 . 1 1 19 19 A H5' H 1 4.563 . . 2 . . . . . . . . 5773 1 265 . 1 1 19 19 A H5'' H 1 4.322 . . 2 . . . . . . . . 5773 1 266 . 1 1 19 19 A C8 C 13 138.671 . . 1 . . . . . . . . 5773 1 267 . 1 1 19 19 A H8 H 1 8.283 . . 1 . . . . . . . . 5773 1 268 . 1 1 19 19 A C2 C 13 153.276 . . 1 . . . . . . . . 5773 1 269 . 1 1 19 19 A H2 H 1 8.267 . . 1 . . . . . . . . 5773 1 270 . 1 1 20 20 C C1' C 13 87.479 . . 1 . . . . . . . . 5773 1 271 . 1 1 20 20 C H1' H 1 4.377 . . 1 . . . . . . . . 5773 1 272 . 1 1 20 20 C C2' C 13 65.640 . . 1 . . . . . . . . 5773 1 273 . 1 1 20 20 C H2' H 1 4.550 . . 1 . . . . . . . . 5773 1 274 . 1 1 20 20 C C3' C 13 64.563 . . 1 . . . . . . . . 5773 1 275 . 1 1 20 20 C H3' H 1 4.205 . . 1 . . . . . . . . 5773 1 276 . 1 1 20 20 C C4' C 13 72.352 . . 1 . . . . . . . . 5773 1 277 . 1 1 20 20 C H4' H 1 4.311 . . 1 . . . . . . . . 5773 1 278 . 1 1 20 20 C C5' C 13 58.023 . . 1 . . . . . . . . 5773 1 279 . 1 1 20 20 C H5' H 1 4.322 . . 2 . . . . . . . . 5773 1 280 . 1 1 20 20 C H5'' H 1 4.320 . . 2 . . . . . . . . 5773 1 281 . 1 1 20 20 C C6 C 13 139.609 . . 1 . . . . . . . . 5773 1 282 . 1 1 20 20 C H6 H 1 7.843 . . 1 . . . . . . . . 5773 1 283 . 1 1 20 20 C C5 C 13 93.163 . . 1 . . . . . . . . 5773 1 284 . 1 1 20 20 C H5 H 1 6.073 . . 1 . . . . . . . . 5773 1 285 . 1 1 21 21 G C1' C 13 87.503 . . 1 . . . . . . . . 5773 1 286 . 1 1 21 21 G H1' H 1 5.788 . . 1 . . . . . . . . 5773 1 287 . 1 1 21 21 G C2' C 13 64.735 . . 1 . . . . . . . . 5773 1 288 . 1 1 21 21 G H2' H 1 4.837 . . 1 . . . . . . . . 5773 1 289 . 1 1 21 21 G C3' C 13 64.023 . . 1 . . . . . . . . 5773 1 290 . 1 1 21 21 G H3' H 1 4.311 . . 1 . . . . . . . . 5773 1 291 . 1 1 21 21 G C4' C 13 72.626 . . 1 . . . . . . . . 5773 1 292 . 1 1 21 21 G H4' H 1 4.533 . . 1 . . . . . . . . 5773 1 293 . 1 1 21 21 G C5' C 13 58.117 . . 1 . . . . . . . . 5773 1 294 . 1 1 21 21 G H5' H 1 4.349 . . 2 . . . . . . . . 5773 1 295 . 1 1 21 21 G H5'' H 1 4.127 . . 2 . . . . . . . . 5773 1 296 . 1 1 21 21 G C8 C 13 135.686 . . 1 . . . . . . . . 5773 1 297 . 1 1 21 21 G H8 H 1 7.658 . . 1 . . . . . . . . 5773 1 298 . 1 1 22 22 G C1' C 13 86.906 . . 1 . . . . . . . . 5773 1 299 . 1 1 22 22 G H1' H 1 5.771 . . 1 . . . . . . . . 5773 1 300 . 1 1 22 22 G C2' C 13 65.242 . . 1 . . . . . . . . 5773 1 301 . 1 1 22 22 G H2' H 1 4.581 . . 1 . . . . . . . . 5773 1 302 . 1 1 22 22 G C3' C 13 62.408 . . 1 . . . . . . . . 5773 1 303 . 1 1 22 22 G H3' H 1 4.569 . . 1 . . . . . . . . 5773 1 304 . 1 1 22 22 G C4' C 13 72.181 . . 1 . . . . . . . . 5773 1 305 . 1 1 22 22 G H4' H 1 4.517 . . 1 . . . . . . . . 5773 1 306 . 1 1 22 22 G C5' C 13 50.360 . . 1 . . . . . . . . 5773 1 307 . 1 1 22 22 G H5' H 1 4.545 . . 2 . . . . . . . . 5773 1 308 . 1 1 22 22 G H5'' H 1 4.128 . . 2 . . . . . . . . 5773 1 309 . 1 1 22 22 G C8 C 13 134.066 . . 1 . . . . . . . . 5773 1 310 . 1 1 22 22 G H8 H 1 7.288 . . 1 . . . . . . . . 5773 1 311 . 1 1 23 23 C C1' C 13 87.792 . . 1 . . . . . . . . 5773 1 312 . 1 1 23 23 C H1' H 1 5.549 . . 1 . . . . . . . . 5773 1 313 . 1 1 23 23 C C2' C 13 65.225 . . 1 . . . . . . . . 5773 1 314 . 1 1 23 23 C H2' H 1 4.616 . . 1 . . . . . . . . 5773 1 315 . 1 1 23 23 C C3' C 13 62.296 . . 1 . . . . . . . . 5773 1 316 . 1 1 23 23 C H3' H 1 4.534 . . 1 . . . . . . . . 5773 1 317 . 1 1 23 23 C C4' C 13 72.050 . . 1 . . . . . . . . 5773 1 318 . 1 1 23 23 C H4' H 1 4.522 . . 1 . . . . . . . . 5773 1 319 . 1 1 23 23 C C5' C 13 50.261 . . 1 . . . . . . . . 5773 1 320 . 1 1 23 23 C H5' H 1 4.577 . . 2 . . . . . . . . 5773 1 321 . 1 1 23 23 C H5'' H 1 4.135 . . 2 . . . . . . . . 5773 1 322 . 1 1 23 23 C C6 C 13 138.422 . . 1 . . . . . . . . 5773 1 323 . 1 1 23 23 C H6 H 1 7.552 . . 1 . . . . . . . . 5773 1 324 . 1 1 23 23 C C5 C 13 91.357 . . 1 . . . . . . . . 5773 1 325 . 1 1 23 23 C H5 H 1 5.276 . . 1 . . . . . . . . 5773 1 326 . 1 1 24 24 A C1' C 13 86.866 . . 1 . . . . . . . . 5773 1 327 . 1 1 24 24 A H1' H 1 5.934 . . 1 . . . . . . . . 5773 1 328 . 1 1 24 24 A C2' C 13 65.579 . . 1 . . . . . . . . 5773 1 329 . 1 1 24 24 A H2' H 1 4.620 . . 1 . . . . . . . . 5773 1 330 . 1 1 24 24 A C3' C 13 63.082 . . 1 . . . . . . . . 5773 1 331 . 1 1 24 24 A H3' H 1 4.676 . . 1 . . . . . . . . 5773 1 332 . 1 1 24 24 A C4' C 13 72.153 . . 1 . . . . . . . . 5773 1 333 . 1 1 24 24 A H4' H 1 4.554 . . 1 . . . . . . . . 5773 1 334 . 1 1 24 24 A C5' C 13 51.656 . . 1 . . . . . . . . 5773 1 335 . 1 1 24 24 A H5' H 1 4.580 . . 2 . . . . . . . . 5773 1 336 . 1 1 24 24 A H5'' H 1 4.207 . . 2 . . . . . . . . 5773 1 337 . 1 1 24 24 A C8 C 13 137.441 . . 1 . . . . . . . . 5773 1 338 . 1 1 24 24 A H8 H 1 7.967 . . 1 . . . . . . . . 5773 1 339 . 1 1 24 24 A C2 C 13 150.090 . . 1 . . . . . . . . 5773 1 340 . 1 1 24 24 A H2 H 1 6.764 . . 1 . . . . . . . . 5773 1 341 . 1 1 25 25 A C1' C 13 86.205 . . 1 . . . . . . . . 5773 1 342 . 1 1 25 25 A H1' H 1 5.809 . . 1 . . . . . . . . 5773 1 343 . 1 1 25 25 A C2' C 13 65.673 . . 1 . . . . . . . . 5773 1 344 . 1 1 25 25 A H2' H 1 4.523 . . 1 . . . . . . . . 5773 1 345 . 1 1 25 25 A C3' C 13 62.994 . . 1 . . . . . . . . 5773 1 346 . 1 1 25 25 A H3' H 1 4.615 . . 1 . . . . . . . . 5773 1 347 . 1 1 25 25 A C4' C 13 72.090 . . 1 . . . . . . . . 5773 1 348 . 1 1 25 25 A H4' H 1 4.510 . . 1 . . . . . . . . 5773 1 349 . 1 1 25 25 A C5' C 13 51.592 . . 1 . . . . . . . . 5773 1 350 . 1 1 25 25 A H5' H 1 4.545 . . 2 . . . . . . . . 5773 1 351 . 1 1 25 25 A H5'' H 1 4.189 . . 2 . . . . . . . . 5773 1 352 . 1 1 25 25 A C8 C 13 137.089 . . 1 . . . . . . . . 5773 1 353 . 1 1 25 25 A H8 H 1 7.702 . . 1 . . . . . . . . 5773 1 354 . 1 1 25 25 A C2 C 13 151.152 . . 1 . . . . . . . . 5773 1 355 . 1 1 25 25 A H2 H 1 7.487 . . 1 . . . . . . . . 5773 1 356 . 1 1 26 26 G C1' C 13 85.990 . . 1 . . . . . . . . 5773 1 357 . 1 1 26 26 G H1' H 1 5.507 . . 1 . . . . . . . . 5773 1 358 . 1 1 26 26 G C2' C 13 65.273 . . 1 . . . . . . . . 5773 1 359 . 1 1 26 26 G H2' H 1 4.400 . . 1 . . . . . . . . 5773 1 360 . 1 1 26 26 G C3' C 13 63.668 . . 1 . . . . . . . . 5773 1 361 . 1 1 26 26 G H3' H 1 4.499 . . 1 . . . . . . . . 5773 1 362 . 1 1 26 26 G C4' C 13 72.620 . . 1 . . . . . . . . 5773 1 363 . 1 1 26 26 G H4' H 1 4.446 . . 1 . . . . . . . . 5773 1 364 . 1 1 26 26 G C5' C 13 51.947 . . 1 . . . . . . . . 5773 1 365 . 1 1 26 26 G H5' H 1 4.441 . . 2 . . . . . . . . 5773 1 366 . 1 1 26 26 G H5'' H 1 4.113 . . 2 . . . . . . . . 5773 1 367 . 1 1 26 26 G C8 C 13 134.509 . . 1 . . . . . . . . 5773 1 368 . 1 1 26 26 G H8 H 1 7.176 . . 1 . . . . . . . . 5773 1 369 . 1 1 27 27 A C1' C 13 85.771 . . 1 . . . . . . . . 5773 1 370 . 1 1 27 27 A H1' H 1 5.878 . . 1 . . . . . . . . 5773 1 371 . 1 1 27 27 A C2' C 13 65.859 . . 1 . . . . . . . . 5773 1 372 . 1 1 27 27 A H2' H 1 4.435 . . 1 . . . . . . . . 5773 1 373 . 1 1 27 27 A C3' C 13 64.125 . . 1 . . . . . . . . 5773 1 374 . 1 1 27 27 A H3' H 1 4.614 . . 1 . . . . . . . . 5773 1 375 . 1 1 27 27 A C4' C 13 73.356 . . 1 . . . . . . . . 5773 1 376 . 1 1 27 27 A H4' H 1 4.467 . . 1 . . . . . . . . 5773 1 377 . 1 1 27 27 A C5' C 13 52.147 . . 1 . . . . . . . . 5773 1 378 . 1 1 27 27 A H5' H 1 4.437 . . 2 . . . . . . . . 5773 1 379 . 1 1 27 27 A H5'' H 1 4.131 . . 2 . . . . . . . . 5773 1 380 . 1 1 27 27 A C8 C 13 137.928 . . 1 . . . . . . . . 5773 1 381 . 1 1 27 27 A H8 H 1 7.830 . . 1 . . . . . . . . 5773 1 382 . 1 1 27 27 A C2 C 13 151.983 . . 1 . . . . . . . . 5773 1 383 . 1 1 27 27 A H2 H 1 7.712 . . 1 . . . . . . . . 5773 1 384 . 1 1 28 28 G C1' C 13 84.651 . . 1 . . . . . . . . 5773 1 385 . 1 1 28 28 G H1' H 1 5.594 . . 1 . . . . . . . . 5773 1 386 . 1 1 28 28 G C2' C 13 65.121 . . 1 . . . . . . . . 5773 1 387 . 1 1 28 28 G H2' H 1 4.593 . . 1 . . . . . . . . 5773 1 388 . 1 1 28 28 G C3' C 13 65.432 . . 1 . . . . . . . . 5773 1 389 . 1 1 28 28 G H3' H 1 4.636 . . 1 . . . . . . . . 5773 1 390 . 1 1 28 28 G C4' C 13 74.217 . . 1 . . . . . . . . 5773 1 391 . 1 1 28 28 G H4' H 1 4.435 . . 1 . . . . . . . . 5773 1 392 . 1 1 28 28 G C5' C 13 52.759 . . 1 . . . . . . . . 5773 1 393 . 1 1 28 28 G H5' H 1 4.316 . . 2 . . . . . . . . 5773 1 394 . 1 1 28 28 G H5'' H 1 4.129 . . 2 . . . . . . . . 5773 1 395 . 1 1 28 28 G C8 C 13 136.613 . . 1 . . . . . . . . 5773 1 396 . 1 1 28 28 G H8 H 1 7.560 . . 1 . . . . . . . . 5773 1 397 . 1 1 29 29 G C1' C 13 84.004 . . 1 . . . . . . . . 5773 1 398 . 1 1 29 29 G H1' H 1 5.809 . . 1 . . . . . . . . 5773 1 399 . 1 1 29 29 G C2' C 13 65.201 . . 1 . . . . . . . . 5773 1 400 . 1 1 29 29 G H2' H 1 4.791 . . 1 . . . . . . . . 5773 1 401 . 1 1 29 29 G C3' C 13 66.367 . . 1 . . . . . . . . 5773 1 402 . 1 1 29 29 G H3' H 1 4.798 . . 1 . . . . . . . . 5773 1 403 . 1 1 29 29 G C4' C 13 74.507 . . 1 . . . . . . . . 5773 1 404 . 1 1 29 29 G H4' H 1 4.593 . . 1 . . . . . . . . 5773 1 405 . 1 1 29 29 G C5' C 13 51.144 . . 1 . . . . . . . . 5773 1 406 . 1 1 29 29 G H5' H 1 4.646 . . 2 . . . . . . . . 5773 1 407 . 1 1 29 29 G H5'' H 1 4.239 . . 2 . . . . . . . . 5773 1 408 . 1 1 29 29 G C8 C 13 137.091 . . 1 . . . . . . . . 5773 1 409 . 1 1 29 29 G H8 H 1 7.875 . . 1 . . . . . . . . 5773 1 410 . 1 1 30 30 C C1' C 13 87.428 . . 1 . . . . . . . . 5773 1 411 . 1 1 30 30 C H1' H 1 5.745 . . 1 . . . . . . . . 5773 1 412 . 1 1 30 30 C C2' C 13 65.229 . . 1 . . . . . . . . 5773 1 413 . 1 1 30 30 C H2' H 1 4.659 . . 1 . . . . . . . . 5773 1 414 . 1 1 30 30 C C3' C 13 65.234 . . 1 . . . . . . . . 5773 1 415 . 1 1 30 30 C H3' H 1 4.735 . . 1 . . . . . . . . 5773 1 416 . 1 1 30 30 C C4' C 13 72.615 . . 1 . . . . . . . . 5773 1 417 . 1 1 30 30 C H4' H 1 4.554 . . 1 . . . . . . . . 5773 1 418 . 1 1 30 30 C C5' C 13 52.645 . . 1 . . . . . . . . 5773 1 419 . 1 1 30 30 C H5' H 1 4.454 . . 2 . . . . . . . . 5773 1 420 . 1 1 30 30 C H5'' H 1 4.318 . . 2 . . . . . . . . 5773 1 421 . 1 1 30 30 C C6 C 13 140.118 . . 1 . . . . . . . . 5773 1 422 . 1 1 30 30 C H6 H 1 7.791 . . 1 . . . . . . . . 5773 1 423 . 1 1 30 30 C C5 C 13 92.434 . . 1 . . . . . . . . 5773 1 424 . 1 1 30 30 C H5 H 1 5.674 . . 1 . . . . . . . . 5773 1 425 . 1 1 31 31 G C1' C 13 86.567 . . 1 . . . . . . . . 5773 1 426 . 1 1 31 31 G H1' H 1 5.807 . . 1 . . . . . . . . 5773 1 427 . 1 1 31 31 G C2' C 13 65.442 . . 1 . . . . . . . . 5773 1 428 . 1 1 31 31 G H2' H 1 4.753 . . 1 . . . . . . . . 5773 1 429 . 1 1 31 31 G C3' C 13 65.607 . . 1 . . . . . . . . 5773 1 430 . 1 1 31 31 G H3' H 1 4.682 . . 1 . . . . . . . . 5773 1 431 . 1 1 31 31 G C4' C 13 72.421 . . 1 . . . . . . . . 5773 1 432 . 1 1 31 31 G H4' H 1 4.571 . . 1 . . . . . . . . 5773 1 433 . 1 1 31 31 G C5' C 13 52.332 . . 1 . . . . . . . . 5773 1 434 . 1 1 31 31 G H5' H 1 4.544 . . 2 . . . . . . . . 5773 1 435 . 1 1 31 31 G H5'' H 1 4.288 . . 2 . . . . . . . . 5773 1 436 . 1 1 31 31 G C8 C 13 134.526 . . 1 . . . . . . . . 5773 1 437 . 1 1 31 31 G H8 H 1 7.713 . . 1 . . . . . . . . 5773 1 438 . 1 1 32 32 A C1' C 13 86.697 . . 1 . . . . . . . . 5773 1 439 . 1 1 32 32 A H1' H 1 6.011 . . 1 . . . . . . . . 5773 1 440 . 1 1 32 32 A C2' C 13 65.674 . . 1 . . . . . . . . 5773 1 441 . 1 1 32 32 A H2' H 1 4.777 . . 1 . . . . . . . . 5773 1 442 . 1 1 32 32 A C3' C 13 62.840 . . 1 . . . . . . . . 5773 1 443 . 1 1 32 32 A H3' H 1 4.735 . . 1 . . . . . . . . 5773 1 444 . 1 1 32 32 A C4' C 13 71.993 . . 1 . . . . . . . . 5773 1 445 . 1 1 32 32 A H4' H 1 4.575 . . 1 . . . . . . . . 5773 1 446 . 1 1 32 32 A C5' C 13 51.172 . . 1 . . . . . . . . 5773 1 447 . 1 1 32 32 A H5' H 1 4.638 . . 2 . . . . . . . . 5773 1 448 . 1 1 32 32 A H5'' H 1 4.237 . . 2 . . . . . . . . 5773 1 449 . 1 1 32 32 A C8 C 13 137.174 . . 1 . . . . . . . . 5773 1 450 . 1 1 32 32 A H8 H 1 7.829 . . 1 . . . . . . . . 5773 1 451 . 1 1 32 32 A C2 C 13 151.147 . . 1 . . . . . . . . 5773 1 452 . 1 1 32 32 A H2 H 1 7.503 . . 1 . . . . . . . . 5773 1 453 . 1 1 33 33 G C1' C 13 86.801 . . 1 . . . . . . . . 5773 1 454 . 1 1 33 33 G H1' H 1 5.638 . . 1 . . . . . . . . 5773 1 455 . 1 1 33 33 G C2' C 13 65.267 . . 1 . . . . . . . . 5773 1 456 . 1 1 33 33 G H2' H 1 4.493 . . 1 . . . . . . . . 5773 1 457 . 1 1 33 33 G C3' C 13 63.139 . . 1 . . . . . . . . 5773 1 458 . 1 1 33 33 G H3' H 1 4.408 . . 1 . . . . . . . . 5773 1 459 . 1 1 33 33 G C4' C 13 72.113 . . 1 . . . . . . . . 5773 1 460 . 1 1 33 33 G H4' H 1 4.531 . . 1 . . . . . . . . 5773 1 461 . 1 1 33 33 G C5' C 13 52.033 . . 1 . . . . . . . . 5773 1 462 . 1 1 33 33 G H5' H 1 4.493 . . 2 . . . . . . . . 5773 1 463 . 1 1 33 33 G H5'' H 1 4.121 . . 2 . . . . . . . . 5773 1 464 . 1 1 33 33 G C8 C 13 133.663 . . 1 . . . . . . . . 5773 1 465 . 1 1 33 33 G H8 H 1 7.144 . . 1 . . . . . . . . 5773 1 466 . 1 1 34 34 U C1' C 13 87.608 . . 1 . . . . . . . . 5773 1 467 . 1 1 34 34 U H1' H 1 5.637 . . 1 . . . . . . . . 5773 1 468 . 1 1 34 34 U C2' C 13 65.212 . . 1 . . . . . . . . 5773 1 469 . 1 1 34 34 U H2' H 1 4.576 . . 1 . . . . . . . . 5773 1 470 . 1 1 34 34 U C3' C 13 62.261 . . 1 . . . . . . . . 5773 1 471 . 1 1 34 34 U H3' H 1 4.548 . . 1 . . . . . . . . 5773 1 472 . 1 1 34 34 U C4' C 13 72.084 . . 1 . . . . . . . . 5773 1 473 . 1 1 34 34 U H4' H 1 4.500 . . 1 . . . . . . . . 5773 1 474 . 1 1 34 34 U C5' C 13 51.115 . . 1 . . . . . . . . 5773 1 475 . 1 1 34 34 U H5' H 1 4.572 . . 2 . . . . . . . . 5773 1 476 . 1 1 34 34 U H5'' H 1 4.200 . . 2 . . . . . . . . 5773 1 477 . 1 1 34 34 U C6 C 13 139.591 . . 1 . . . . . . . . 5773 1 478 . 1 1 34 34 U H6 H 1 7.787 . . 1 . . . . . . . . 5773 1 479 . 1 1 34 34 U C5 C 13 96.417 . . 1 . . . . . . . . 5773 1 480 . 1 1 34 34 U H5 H 1 5.096 . . 1 . . . . . . . . 5773 1 481 . 1 1 35 35 C C1' C 13 88.205 . . 1 . . . . . . . . 5773 1 482 . 1 1 35 35 C H1' H 1 5.690 . . 1 . . . . . . . . 5773 1 483 . 1 1 35 35 C C2' C 13 65.802 . . 1 . . . . . . . . 5773 1 484 . 1 1 35 35 C H2' H 1 4.335 . . 1 . . . . . . . . 5773 1 485 . 1 1 35 35 C C3' C 13 62.461 . . 1 . . . . . . . . 5773 1 486 . 1 1 35 35 C H3' H 1 4.568 . . 1 . . . . . . . . 5773 1 487 . 1 1 35 35 C C4' C 13 72.022 . . 1 . . . . . . . . 5773 1 488 . 1 1 35 35 C H4' H 1 4.503 . . 1 . . . . . . . . 5773 1 489 . 1 1 35 35 C C5' C 13 50.830 . . 1 . . . . . . . . 5773 1 490 . 1 1 35 35 C H5' H 1 4.606 . . 2 . . . . . . . . 5773 1 491 . 1 1 35 35 C H5'' H 1 4.185 . . 2 . . . . . . . . 5773 1 492 . 1 1 35 35 C C6 C 13 139.640 . . 1 . . . . . . . . 5773 1 493 . 1 1 35 35 C H6 H 1 7.936 . . 1 . . . . . . . . 5773 1 494 . 1 1 35 35 C C5 C 13 91.472 . . 1 . . . . . . . . 5773 1 495 . 1 1 35 35 C H5 H 1 5.726 . . 1 . . . . . . . . 5773 1 496 . 1 1 36 36 C C1' C 13 86.657 . . 1 . . . . . . . . 5773 1 497 . 1 1 36 36 C H1' H 1 5.807 . . 1 . . . . . . . . 5773 1 498 . 1 1 36 36 C C2' C 13 67.472 . . 1 . . . . . . . . 5773 1 499 . 1 1 36 36 C H2' H 1 4.064 . . 1 . . . . . . . . 5773 1 500 . 1 1 36 36 C C3' C 13 59.843 . . 1 . . . . . . . . 5773 1 501 . 1 1 36 36 C H3' H 1 4.247 . . 1 . . . . . . . . 5773 1 502 . 1 1 36 36 C C4' C 13 73.522 . . 1 . . . . . . . . 5773 1 503 . 1 1 36 36 C H4' H 1 4.241 . . 1 . . . . . . . . 5773 1 504 . 1 1 36 36 C C5' C 13 58.134 . . 1 . . . . . . . . 5773 1 505 . 1 1 36 36 C H5' H 1 4.347 . . 2 . . . . . . . . 5773 1 506 . 1 1 36 36 C H5'' H 1 4.165 . . 2 . . . . . . . . 5773 1 507 . 1 1 36 36 C C6 C 13 139.754 . . 1 . . . . . . . . 5773 1 508 . 1 1 36 36 C H6 H 1 7.754 . . 1 . . . . . . . . 5773 1 509 . 1 1 36 36 C C5 C 13 92.109 . . 1 . . . . . . . . 5773 1 stop_ save_